{ "version": "1", "nodes": { "CID:100018": { "type": "Drug", "properties": { "id": "CID:100018", "label": "ginsenoside", "lsm": "LSM-1713", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/100018", "FDA_Category_D_L1000_Similarity": 1.95329, "FDA_Category_D_Structural_Similarity": 0.339997, "FDA_Category_D_Weighted_Contribution": 1.42928, "FDA_Category_D_Top_Rank": 0.161493, "FDA_Category_X_L1000_Similarity": 0.783833, "FDA_Category_X_Structural_Similarity": 0.771892, "FDA_Category_X_Weighted_Contribution": 1.11781, "FDA_Category_X_Top_Rank": -0.0509605, "FDA_Category_D_and_X_L1000_Similarity": 1.9218, "FDA_Category_D_and_X_Structural_Similarity": 0.68637, "FDA_Category_D_and_X_Weighted_Contribution": 1.6701, "FDA_Category_D_and_X_Top_Rank": 0.0648468, "Placenta_Crossing_L1000_Similarity": 1.04185, "Placenta_Crossing_Structural_Similarity": 1.96508, "Placenta_Crossing_Weighted_Contribution": 2.41667, "Placenta_Crossing_Top_Rank": 0.0281874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C", "InChI_key": "JDCPEKQWFDWQLI-UHFFFAOYSA-N" } }, "CID:10068193": { "type": "Drug", "properties": { "id": "CID:10068193", "label": "lm-1685", "lsm": "LSM-5626", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10068193", "FDA_Category_D_L1000_Similarity": 0.390301, "FDA_Category_X_L1000_Similarity": 0.850249, "FDA_Category_D_and_X_L1000_Similarity": 0.594654, "Placenta_Crossing_L1000_Similarity": 0.896483, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)S(=O)(=O)C", "InChI_key": "UBZBOEWMQPWUKB-UHFFFAOYSA-N" } }, "CID:10077130": { "type": "Drug", "properties": { "id": "CID:10077130", "label": "vorapaxar", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10077130", "FDA_Category_D_L1000_Similarity": -1.61201, "FDA_Category_D_Structural_Similarity": 0.0189701, "FDA_Category_D_Weighted_Contribution": -0.845105, "FDA_Category_D_Top_Rank": -0.0847029, "FDA_Category_X_L1000_Similarity": 2.27146, "FDA_Category_X_Structural_Similarity": -0.31495, "FDA_Category_X_Weighted_Contribution": 0.731813, "FDA_Category_X_Top_Rank": 0.0703365, "FDA_Category_D_and_X_L1000_Similarity": -0.699775, "FDA_Category_D_and_X_Structural_Similarity": -0.154889, "FDA_Category_D_and_X_Weighted_Contribution": -0.582549, "FDA_Category_D_and_X_Top_Rank": -0.0893818, "Placenta_Crossing_L1000_Similarity": -1.55661, "Placenta_Crossing_Structural_Similarity": -0.47126, "Placenta_Crossing_Weighted_Contribution": -1.05591, "Placenta_Crossing_Top_Rank": -0.0894421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C", "InChI_key": "ZBGXUVOIWDMMJE-QHNZEKIYSA-N" } }, "CID:10077147": { "type": "Drug", "properties": { "id": "CID:10077147", "label": "bx-795", "lsm": "LSM-1189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10077147", "FDA_Category_D_L1000_Similarity": -1.47061, "FDA_Category_D_Structural_Similarity": -0.54995, "FDA_Category_D_Weighted_Contribution": -1.13549, "FDA_Category_D_Top_Rank": -0.0946168, "FDA_Category_X_L1000_Similarity": -1.18416, "FDA_Category_X_Structural_Similarity": -0.0922344, "FDA_Category_X_Weighted_Contribution": -0.706759, "FDA_Category_X_Top_Rank": -0.0820692, "FDA_Category_D_and_X_L1000_Similarity": -1.62731, "FDA_Category_D_and_X_Structural_Similarity": -0.486272, "FDA_Category_D_and_X_Weighted_Contribution": -1.12144, "FDA_Category_D_and_X_Top_Rank": -0.0938649, "Placenta_Crossing_L1000_Similarity": -2.76601, "Placenta_Crossing_Structural_Similarity": -0.536379, "Placenta_Crossing_Weighted_Contribution": -1.38012, "Placenta_Crossing_Top_Rank": -0.0900046, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I", "InChI_key": "VAVXGGRQQJZYBL-UHFFFAOYSA-N" } }, "CID:10125107": { "type": "Drug", "properties": { "id": "CID:10125107", "label": "lawsone", "lsm": "LSM-3483", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10125107", "FDA_Category_D_L1000_Similarity": 0.0852899, "FDA_Category_D_Structural_Similarity": -0.85461, "FDA_Category_D_Weighted_Contribution": -0.7633, "FDA_Category_D_Top_Rank": -0.0914554, "FDA_Category_X_L1000_Similarity": -0.208257, "FDA_Category_X_Structural_Similarity": -0.58224, "FDA_Category_X_Weighted_Contribution": -0.708011, "FDA_Category_X_Top_Rank": -0.0888365, "FDA_Category_D_and_X_L1000_Similarity": 0.0102767, "FDA_Category_D_and_X_Structural_Similarity": -0.99249, "FDA_Category_D_and_X_Weighted_Contribution": -0.884995, "FDA_Category_D_and_X_Top_Rank": -0.0921041, "Placenta_Crossing_L1000_Similarity": -0.175626, "Placenta_Crossing_Structural_Similarity": -0.877123, "Placenta_Crossing_Weighted_Contribution": -0.879275, "Placenta_Crossing_Top_Rank": -0.0894479, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=O)C2=CC=CC=C2C(=O)C1=O", "InChI_key": "SLJWCCMDGTZEGQ-UHFFFAOYSA-N" } }, "CID:10126189": { "type": "Drug", "properties": { "id": "CID:10126189", "label": "ym-155", "lsm": "LSM-5399", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10126189", "FDA_Category_D_L1000_Similarity": -0.797929, "FDA_Category_D_Structural_Similarity": -0.0867801, "FDA_Category_D_Weighted_Contribution": -0.579933, "FDA_Category_D_Top_Rank": -0.0872336, "FDA_Category_X_L1000_Similarity": -1.9102, "FDA_Category_X_Structural_Similarity": 1.1438, "FDA_Category_X_Weighted_Contribution": 0.060475, "FDA_Category_X_Top_Rank": -0.0331384, "FDA_Category_D_and_X_L1000_Similarity": -1.26792, "FDA_Category_D_and_X_Structural_Similarity": 0.54831, "FDA_Category_D_and_X_Weighted_Contribution": -0.274802, "FDA_Category_D_and_X_Top_Rank": -0.0723381, "Placenta_Crossing_L1000_Similarity": -1.81003, "Placenta_Crossing_Structural_Similarity": -0.682908, "Placenta_Crossing_Weighted_Contribution": -1.23205, "Placenta_Crossing_Top_Rank": -0.0911408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4", "InChI_key": "OTSOOHRUMBRSHZ-UHFFFAOYSA-N" } }, "CID:10131112": { "type": "Drug", "properties": { "id": "CID:10131112", "label": "emd-386088", "lsm": "LSM-3051", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10131112", "FDA_Category_D_L1000_Similarity": -1.19129, "FDA_Category_D_Structural_Similarity": -0.585675, "FDA_Category_D_Weighted_Contribution": -1.06519, "FDA_Category_D_Top_Rank": -0.0948976, "FDA_Category_X_L1000_Similarity": -0.0286047, "FDA_Category_X_Structural_Similarity": -0.683932, "FDA_Category_X_Weighted_Contribution": -0.716894, "FDA_Category_X_Top_Rank": -0.0877748, "FDA_Category_D_and_X_L1000_Similarity": -1.0356, "FDA_Category_D_and_X_Structural_Similarity": -0.833905, "FDA_Category_D_and_X_Weighted_Contribution": -1.12972, "FDA_Category_D_and_X_Top_Rank": -0.0961185, "Placenta_Crossing_L1000_Similarity": -0.720491, "Placenta_Crossing_Structural_Similarity": -0.85395, "Placenta_Crossing_Weighted_Contribution": -1.03244, "Placenta_Crossing_Top_Rank": -0.0913608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3", "InChI_key": "BPPGPYJBCVXILI-UHFFFAOYSA-N" } }, "CID:1013376": { "type": "Drug", "properties": { "id": "CID:1013376", "label": "tenovins", "lsm": "LSM-5238", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1013376", "FDA_Category_D_L1000_Similarity": -0.0797509, "FDA_Category_D_Structural_Similarity": 1.47001, "FDA_Category_D_Weighted_Contribution": 1.36321, "FDA_Category_D_Top_Rank": -0.0200294, "FDA_Category_X_L1000_Similarity": 0.307308, "FDA_Category_X_Structural_Similarity": -0.644532, "FDA_Category_X_Weighted_Contribution": -0.554691, "FDA_Category_X_Top_Rank": -0.0848651, "FDA_Category_D_and_X_L1000_Similarity": 0.0245793, "FDA_Category_D_and_X_Structural_Similarity": 0.818978, "FDA_Category_D_and_X_Weighted_Contribution": 0.680607, "FDA_Category_D_and_X_Top_Rank": -0.0625506, "Placenta_Crossing_L1000_Similarity": -0.445607, "Placenta_Crossing_Structural_Similarity": -0.842719, "Placenta_Crossing_Weighted_Contribution": -0.943368, "Placenta_Crossing_Top_Rank": -0.0906083, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C", "InChI_key": "WOWJIWFCOPZFGV-UHFFFAOYSA-N" } }, "CID:101533602": { "type": "Drug", "properties": { "id": "CID:101533602", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID101533602", "label": "Merbromin", "FDA_Category_D_L1000_Similarity": -0.405848, "FDA_Category_D_Structural_Similarity": 1.17698, "FDA_Category_D_Weighted_Contribution": 0.835165, "FDA_Category_D_Top_Rank": -0.0414521, "FDA_Category_X_L1000_Similarity": 0.0967215, "FDA_Category_X_Structural_Similarity": -0.456359, "FDA_Category_X_Weighted_Contribution": -0.486478, "FDA_Category_X_Top_Rank": -0.0868858, "FDA_Category_D_and_X_L1000_Similarity": -0.320478, "FDA_Category_D_and_X_Structural_Similarity": 0.687938, "FDA_Category_D_and_X_Weighted_Contribution": 0.348538, "FDA_Category_D_and_X_Top_Rank": -0.0675996, "Placenta_Crossing_L1000_Similarity": -0.730907, "Placenta_Crossing_Structural_Similarity": 2.48384, "Placenta_Crossing_Weighted_Contribution": 2.04684, "Placenta_Crossing_Top_Rank": 0.0864785, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10154": { "type": "Drug", "properties": { "id": "CID:10154", "label": "boldine", "lsm": "LSM-2047", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10154", "FDA_Category_D_L1000_Similarity": 1.50367, "FDA_Category_D_Structural_Similarity": 0.478165, "FDA_Category_D_Weighted_Contribution": 1.29252, "FDA_Category_D_Top_Rank": -0.00790167, "FDA_Category_X_L1000_Similarity": 1.33877, "FDA_Category_X_Structural_Similarity": -0.593331, "FDA_Category_X_Weighted_Contribution": -0.0487886, "FDA_Category_X_Top_Rank": -0.0566879, "FDA_Category_D_and_X_L1000_Similarity": 1.70274, "FDA_Category_D_and_X_Structural_Similarity": 0.0593668, "FDA_Category_D_and_X_Weighted_Contribution": 0.871406, "FDA_Category_D_and_X_Top_Rank": 0.0120237, "Placenta_Crossing_L1000_Similarity": 1.13777, "Placenta_Crossing_Structural_Similarity": -0.222914, "Placenta_Crossing_Weighted_Contribution": 0.198454, "Placenta_Crossing_Top_Rank": -0.0649427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O", "InChI_key": "LZJRNLRASBVRRX-ZDUSSCGKSA-N" } }, "CID:101616": { "type": "Drug", "properties": { "id": "CID:101616", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID101616", "label": "lobeline", "FDA_Category_D_L1000_Similarity": 0.686986, "FDA_Category_D_Structural_Similarity": -0.782785, "FDA_Category_D_Weighted_Contribution": -0.442706, "FDA_Category_D_Top_Rank": -0.0800235, "FDA_Category_X_L1000_Similarity": 0.130207, "FDA_Category_X_Structural_Similarity": -0.48128, "FDA_Category_X_Weighted_Contribution": -0.493292, "FDA_Category_X_Top_Rank": -0.0865978, "FDA_Category_D_and_X_L1000_Similarity": 0.631731, "FDA_Category_D_and_X_Structural_Similarity": -0.881003, "FDA_Category_D_and_X_Weighted_Contribution": -0.567318, "FDA_Category_D_and_X_Top_Rank": -0.0827897, "Placenta_Crossing_L1000_Similarity": 0.666781, "Placenta_Crossing_Structural_Similarity": -0.949521, "Placenta_Crossing_Weighted_Contribution": -0.63525, "Placenta_Crossing_Top_Rank": -0.0796801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O", "InChI_key": "MXYUKLILVYORSK-HBMCJLEFSA-N" } }, "CID:10206": { "type": "Drug", "properties": { "id": "CID:10206", "label": "cepharanthine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10206", "FDA_Category_D_L1000_Similarity": -1.42515, "FDA_Category_D_Structural_Similarity": -0.606088, "FDA_Category_D_Weighted_Contribution": -1.15112, "FDA_Category_D_Top_Rank": -0.0951093, "FDA_Category_X_L1000_Similarity": 1.69316, "FDA_Category_X_Structural_Similarity": 0.436341, "FDA_Category_X_Weighted_Contribution": 1.25405, "FDA_Category_X_Top_Rank": -0.0312225, "FDA_Category_D_and_X_L1000_Similarity": -0.714322, "FDA_Category_D_and_X_Structural_Similarity": -0.245613, "FDA_Category_D_and_X_Weighted_Contribution": -0.655186, "FDA_Category_D_and_X_Top_Rank": -0.0908756, "Placenta_Crossing_L1000_Similarity": -1.88417, "Placenta_Crossing_Structural_Similarity": -0.583883, "Placenta_Crossing_Weighted_Contribution": -1.20236, "Placenta_Crossing_Top_Rank": -0.0904201, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10212": { "type": "Drug", "properties": { "id": "CID:10212", "label": "imperatorin", "lsm": "LSM-2140", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10212", "FDA_Category_D_L1000_Similarity": 1.01496, "FDA_Category_D_Structural_Similarity": 2.48299, "FDA_Category_D_Weighted_Contribution": 2.97501, "FDA_Category_D_Top_Rank": 0.130298, "FDA_Category_X_L1000_Similarity": 0.291133, "FDA_Category_X_Structural_Similarity": 2.55638, "FDA_Category_X_Weighted_Contribution": 2.77029, "FDA_Category_X_Top_Rank": 0.119677, "FDA_Category_D_and_X_L1000_Similarity": 0.963323, "FDA_Category_D_and_X_Structural_Similarity": 3.35019, "FDA_Category_D_and_X_Weighted_Contribution": 3.42916, "FDA_Category_D_and_X_Top_Rank": 0.313032, "Placenta_Crossing_L1000_Similarity": 0.900901, "Placenta_Crossing_Structural_Similarity": 0.266528, "Placenta_Crossing_Weighted_Contribution": 0.57201, "Placenta_Crossing_Top_Rank": -0.0735331, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C", "InChI_key": "OLOOJGVNMBJLLR-UHFFFAOYSA-N" } }, "CID:10252734": { "type": "Drug", "properties": { "id": "CID:10252734", "label": "brd-k65285700", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10252734", "FDA_Category_D_L1000_Similarity": 0.177292, "FDA_Category_D_Structural_Similarity": -0.500532, "FDA_Category_D_Weighted_Contribution": -0.455881, "FDA_Category_D_Top_Rank": -0.0904581, "FDA_Category_X_L1000_Similarity": 0.142678, "FDA_Category_X_Structural_Similarity": -0.492682, "FDA_Category_X_Weighted_Contribution": -0.49759, "FDA_Category_X_Top_Rank": -0.0864993, "FDA_Category_D_and_X_L1000_Similarity": 0.196164, "FDA_Category_D_and_X_Structural_Similarity": -0.663128, "FDA_Category_D_and_X_Weighted_Contribution": -0.587037, "FDA_Category_D_and_X_Top_Rank": -0.0902607, "Placenta_Crossing_L1000_Similarity": 0.269875, "Placenta_Crossing_Structural_Similarity": -0.754793, "Placenta_Crossing_Weighted_Contribution": -0.640123, "Placenta_Crossing_Top_Rank": -0.0859832, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5", "InChI_key": "FNOMTMVRTBHRET-UHFFFAOYSA-N" } }, "CID:102614": { "type": "Drug", "properties": { "id": "CID:102614", "label": "dpn", "lsm": "LSM-1423", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/102614", "FDA_Category_D_L1000_Similarity": 0.58169, "FDA_Category_D_Structural_Similarity": -0.540845, "FDA_Category_D_Weighted_Contribution": -0.291429, "FDA_Category_D_Top_Rank": -0.0831094, "FDA_Category_X_L1000_Similarity": 0.460265, "FDA_Category_X_Structural_Similarity": -0.262515, "FDA_Category_X_Weighted_Contribution": -0.15257, "FDA_Category_X_Top_Rank": -0.0829952, "FDA_Category_D_and_X_L1000_Similarity": 0.641205, "FDA_Category_D_and_X_Structural_Similarity": -0.570928, "FDA_Category_D_and_X_Weighted_Contribution": -0.316215, "FDA_Category_D_and_X_Top_Rank": -0.0826095, "Placenta_Crossing_L1000_Similarity": 0.361288, "Placenta_Crossing_Structural_Similarity": -0.635364, "Placenta_Crossing_Weighted_Contribution": -0.514531, "Placenta_Crossing_Top_Rank": -0.0849264, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O", "InChI_key": "GHZHWDWADLAOIQ-UHFFFAOYSA-N" } }, "CID:10296883": { "type": "Drug", "properties": { "id": "CID:10296883", "label": "sotrastaurin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10296883", "FDA_Category_D_L1000_Similarity": 2.195, "FDA_Category_D_Structural_Similarity": -0.732445, "FDA_Category_D_Weighted_Contribution": 0.426413, "FDA_Category_D_Top_Rank": 0.363727, "FDA_Category_X_L1000_Similarity": 0.895407, "FDA_Category_X_Structural_Similarity": -0.106485, "FDA_Category_X_Weighted_Contribution": 0.21607, "FDA_Category_X_Top_Rank": -0.0745218, "FDA_Category_D_and_X_L1000_Similarity": 2.16404, "FDA_Category_D_and_X_Structural_Similarity": -0.63881, "FDA_Category_D_and_X_Weighted_Contribution": 0.414807, "FDA_Category_D_and_X_Top_Rank": 0.184049, "Placenta_Crossing_L1000_Similarity": 0.201281, "Placenta_Crossing_Structural_Similarity": -0.890975, "Placenta_Crossing_Weighted_Contribution": -0.761685, "Placenta_Crossing_Top_Rank": -0.0866083, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65", "InChI_key": "OAVGBZOFDPFGPJ-UHFFFAOYSA-N" } }, "CID:10297043": { "type": "Drug", "properties": { "id": "CID:10297043", "label": "aee-788", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10297043", "FDA_Category_D_L1000_Similarity": -1.11356, "FDA_Category_D_Structural_Similarity": 0.11136, "FDA_Category_D_Weighted_Contribution": -0.569701, "FDA_Category_D_Top_Rank": -0.0822503, "FDA_Category_X_L1000_Similarity": -0.141577, "FDA_Category_X_Structural_Similarity": -0.669746, "FDA_Category_X_Weighted_Contribution": -0.748453, "FDA_Category_X_Top_Rank": -0.0884605, "FDA_Category_D_and_X_L1000_Similarity": -1.00289, "FDA_Category_D_and_X_Structural_Similarity": -0.273004, "FDA_Category_D_and_X_Weighted_Contribution": -0.786681, "FDA_Category_D_and_X_Top_Rank": -0.0913154, "Placenta_Crossing_L1000_Similarity": -1.96721, "Placenta_Crossing_Structural_Similarity": -0.361502, "Placenta_Crossing_Weighted_Contribution": -1.1099, "Placenta_Crossing_Top_Rank": -0.0882558, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5", "InChI_key": "OONFNUWBHFSNBT-HXUWFJFHSA-N" } }, "CID:10302": { "type": "Drug", "properties": { "id": "CID:10302", "label": "salsolidine", "lsm": "LSM-5140", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10302", "FDA_Category_D_L1000_Similarity": 0.567824, "FDA_Category_D_Structural_Similarity": 0.616943, "FDA_Category_D_Weighted_Contribution": 0.846103, "FDA_Category_D_Top_Rank": -0.0668793, "FDA_Category_X_L1000_Similarity": 0.286912, "FDA_Category_X_Structural_Similarity": 0.108781, "FDA_Category_X_Weighted_Contribution": 0.125068, "FDA_Category_X_Top_Rank": -0.0768667, "FDA_Category_D_and_X_L1000_Similarity": 0.576606, "FDA_Category_D_and_X_Structural_Similarity": 0.548374, "FDA_Category_D_and_X_Weighted_Contribution": 0.72127, "FDA_Category_D_and_X_Top_Rank": -0.0723216, "Placenta_Crossing_L1000_Similarity": 0.922957, "Placenta_Crossing_Structural_Similarity": 0.126318, "Placenta_Crossing_Weighted_Contribution": 0.438923, "Placenta_Crossing_Top_Rank": -0.0729878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10341154": { "type": "Drug", "properties": { "id": "CID:10341154", "label": "vx-702", "lsm": "LSM-5252", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10341154", "FDA_Category_D_L1000_Similarity": 1.48228, "FDA_Category_D_Structural_Similarity": -0.413725, "FDA_Category_D_Weighted_Contribution": 0.325583, "FDA_Category_D_Top_Rank": -0.0128428, "FDA_Category_X_L1000_Similarity": 0.615418, "FDA_Category_X_Structural_Similarity": -0.37946, "FDA_Category_X_Weighted_Contribution": -0.189307, "FDA_Category_X_Top_Rank": -0.0807684, "FDA_Category_D_and_X_L1000_Similarity": 1.46464, "FDA_Category_D_and_X_Structural_Similarity": -0.533134, "FDA_Category_D_and_X_Weighted_Contribution": 0.132944, "FDA_Category_D_and_X_Top_Rank": -0.0279864, "Placenta_Crossing_L1000_Similarity": 0.811234, "Placenta_Crossing_Structural_Similarity": -0.686603, "Placenta_Crossing_Weighted_Contribution": -0.372156, "Placenta_Crossing_Top_Rank": -0.0760522, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F", "InChI_key": "FYSRKRZDBHOFAY-UHFFFAOYSA-N" } }, "CID:10343454": { "type": "Drug", "properties": { "id": "CID:10343454", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10343454", "label": "vercirnon", "FDA_Category_D_L1000_Similarity": 0.116019, "FDA_Category_D_Structural_Similarity": 1.51537, "FDA_Category_D_Weighted_Contribution": 1.53755, "FDA_Category_D_Top_Rank": -0.015994, "FDA_Category_X_L1000_Similarity": -0.746119, "FDA_Category_X_Structural_Similarity": -0.300197, "FDA_Category_X_Weighted_Contribution": -0.698253, "FDA_Category_X_Top_Rank": -0.0865066, "FDA_Category_D_and_X_L1000_Similarity": -0.12657, "FDA_Category_D_and_X_Structural_Similarity": 1.04078, "FDA_Category_D_and_X_Weighted_Contribution": 0.824754, "FDA_Category_D_and_X_Top_Rank": -0.0506062, "Placenta_Crossing_L1000_Similarity": -0.369626, "Placenta_Crossing_Structural_Similarity": 3.69264, "Placenta_Crossing_Weighted_Contribution": 3.22683, "Placenta_Crossing_Top_Rank": 0.407727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]", "InChI_key": "JRWROCIMSDXGOZ-UHFFFAOYSA-N" } }, "CID:10367662": { "type": "Drug", "properties": { "id": "CID:10367662", "label": "ki-16425", "lsm": "LSM-5013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10367662", "FDA_Category_D_L1000_Similarity": -0.176773, "FDA_Category_D_Structural_Similarity": 0.633464, "FDA_Category_D_Weighted_Contribution": 0.402786, "FDA_Category_D_Top_Rank": -0.0663922, "FDA_Category_X_L1000_Similarity": 1.41558, "FDA_Category_X_Structural_Similarity": -0.441925, "FDA_Category_X_Weighted_Contribution": 0.139317, "FDA_Category_X_Top_Rank": -0.0521911, "FDA_Category_D_and_X_L1000_Similarity": 0.277507, "FDA_Category_D_and_X_Structural_Similarity": 0.264328, "FDA_Category_D_and_X_Weighted_Contribution": 0.260954, "FDA_Category_D_and_X_Top_Rank": -0.0802941, "Placenta_Crossing_L1000_Similarity": 0.701859, "Placenta_Crossing_Structural_Similarity": 0.261007, "Placenta_Crossing_Weighted_Contribution": 0.461978, "Placenta_Crossing_Top_Rank": -0.0762159, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)O", "InChI_key": "LLIFMNUXGDHTRO-UHFFFAOYSA-N" } }, "CID:10385095": { "type": "Drug", "properties": { "id": "CID:10385095", "label": "mst-312", "lsm": "LSM-6230", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10385095", "FDA_Category_D_L1000_Similarity": 0.53217, "FDA_Category_D_Structural_Similarity": -0.683315, "FDA_Category_D_Weighted_Contribution": -0.435516, "FDA_Category_D_Top_Rank": -0.0844815, "FDA_Category_X_L1000_Similarity": -1.95723, "FDA_Category_X_Structural_Similarity": -0.542779, "FDA_Category_X_Weighted_Contribution": -1.23946, "FDA_Category_X_Top_Rank": -0.0903872, "FDA_Category_D_and_X_L1000_Similarity": -0.135642, "FDA_Category_D_and_X_Structural_Similarity": -0.835237, "FDA_Category_D_and_X_Weighted_Contribution": -0.836818, "FDA_Category_D_and_X_Top_Rank": -0.0932246, "Placenta_Crossing_L1000_Similarity": -0.134522, "Placenta_Crossing_Structural_Similarity": 0.175633, "Placenta_Crossing_Weighted_Contribution": -0.0366214, "Placenta_Crossing_Top_Rank": -0.0783747, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O", "InChI_key": "MIQUEZGHEJGPJB-UHFFFAOYSA-N" } }, "CID:10437018": { "type": "Drug", "properties": { "id": "CID:10437018", "label": "bms-599626", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10437018", "FDA_Category_D_L1000_Similarity": 0.853525, "FDA_Category_D_Structural_Similarity": 0.452514, "FDA_Category_D_Weighted_Contribution": 0.849208, "FDA_Category_D_Top_Rank": -0.0727487, "FDA_Category_X_L1000_Similarity": 1.52012, "FDA_Category_X_Structural_Similarity": -0.169287, "FDA_Category_X_Weighted_Contribution": 0.479527, "FDA_Category_X_Top_Rank": -0.0457029, "FDA_Category_D_and_X_L1000_Similarity": 1.19738, "FDA_Category_D_and_X_Structural_Similarity": 0.26782, "FDA_Category_D_and_X_Weighted_Contribution": 0.792216, "FDA_Category_D_and_X_Top_Rank": -0.0547924, "Placenta_Crossing_L1000_Similarity": 0.379981, "Placenta_Crossing_Structural_Similarity": -0.481576, "Placenta_Crossing_Weighted_Contribution": -0.383517, "Placenta_Crossing_Top_Rank": -0.0847074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F", "InChI_key": "LUJZZYWHBDHDQX-QFIPXVFZSA-N" } }, "CID:1043828": { "type": "Drug", "properties": { "id": "CID:1043828", "label": "st-4066738", "lsm": "LSM-4736", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1043828", "FDA_Category_D_L1000_Similarity": -0.675952, "FDA_Category_X_L1000_Similarity": -1.40867, "FDA_Category_D_and_X_L1000_Similarity": -1.01047, "Placenta_Crossing_L1000_Similarity": -0.705642, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NC(=O)COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC(=C(C=C3OC)Cl)OC", "InChI_key": "LMACUXBVERHZIR-UHFFFAOYSA-N" } }, "CID:1046": { "type": "Drug", "properties": { "id": "CID:1046", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1046", "label": "pyrazinamide", "FDA_Category_D_L1000_Similarity": 1.07631, "FDA_Category_D_Structural_Similarity": 1.53292, "FDA_Category_D_Weighted_Contribution": 2.14812, "FDA_Category_D_Top_Rank": -0.0135471, "FDA_Category_X_L1000_Similarity": 0.781808, "FDA_Category_X_Structural_Similarity": -0.638782, "FDA_Category_X_Weighted_Contribution": -0.348746, "FDA_Category_X_Top_Rank": -0.0773481, "FDA_Category_D_and_X_L1000_Similarity": 1.16522, "FDA_Category_D_and_X_Structural_Similarity": 0.872012, "FDA_Category_D_and_X_Weighted_Contribution": 1.41783, "FDA_Category_D_and_X_Top_Rank": -0.0577961, "Placenta_Crossing_L1000_Similarity": 0.442652, "Placenta_Crossing_Structural_Similarity": 0.471003, "Placenta_Crossing_Weighted_Contribution": 0.542926, "Placenta_Crossing_Top_Rank": -0.0703571, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=C(C=N1)C(=O)N", "InChI_key": "IPEHBUMCGVEMRF-UHFFFAOYSA-N" } }, "CID:10479060": { "type": "Drug", "properties": { "id": "CID:10479060", "label": "bay-59-3074", "lsm": "LSM-2414", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10479060", "FDA_Category_D_L1000_Similarity": 0.890462, "FDA_Category_D_Structural_Similarity": 3.53189, "FDA_Category_D_Weighted_Contribution": 3.61089, "FDA_Category_D_Top_Rank": 0.371444, "FDA_Category_X_L1000_Similarity": 0.76773, "FDA_Category_X_Structural_Similarity": -0.407774, "FDA_Category_X_Weighted_Contribution": -0.144479, "FDA_Category_X_Top_Rank": -0.0777404, "FDA_Category_D_and_X_L1000_Similarity": 1.00074, "FDA_Category_D_and_X_Structural_Similarity": 2.58328, "FDA_Category_D_and_X_Weighted_Contribution": 2.9415, "FDA_Category_D_and_X_Top_Rank": 0.116951, "Placenta_Crossing_L1000_Similarity": 0.310377, "Placenta_Crossing_Structural_Similarity": 0.443757, "Placenta_Crossing_Weighted_Contribution": 0.445744, "Placenta_Crossing_Top_Rank": -0.0711979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)F", "InChI_key": "LWUSZIVDPJPVBW-UHFFFAOYSA-N" } }, "CID:105008": { "type": "Drug", "properties": { "id": "CID:105008", "label": "paxilline", "lsm": "LSM-2849", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/105008", "FDA_Category_D_L1000_Similarity": -0.0164661, "FDA_Category_D_Structural_Similarity": -0.597821, "FDA_Category_D_Weighted_Contribution": -0.620496, "FDA_Category_D_Top_Rank": -0.0923153, "FDA_Category_X_L1000_Similarity": -0.62294, "FDA_Category_X_Structural_Similarity": -0.521937, "FDA_Category_X_Weighted_Contribution": -0.815981, "FDA_Category_X_Top_Rank": -0.0901153, "FDA_Category_D_and_X_L1000_Similarity": -0.203362, "FDA_Category_D_and_X_Structural_Similarity": -0.756134, "FDA_Category_D_and_X_Weighted_Contribution": -0.809901, "FDA_Category_D_and_X_Top_Rank": -0.0936579, "Placenta_Crossing_L1000_Similarity": 0.0848664, "Placenta_Crossing_Structural_Similarity": -0.876837, "Placenta_Crossing_Weighted_Contribution": -0.792284, "Placenta_Crossing_Top_Rank": -0.0876649, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O", "InChI_key": "ACNHBCIZLNNLRS-UBGQALKQSA-N" } }, "CID:10668061": { "type": "Drug", "properties": { "id": "CID:10668061", "label": "sch-442416", "lsm": "LSM-3027", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10668061", "FDA_Category_D_L1000_Similarity": 0.833916, "FDA_Category_D_Structural_Similarity": -0.801452, "FDA_Category_D_Weighted_Contribution": -0.387198, "FDA_Category_D_Top_Rank": -0.0743766, "FDA_Category_X_L1000_Similarity": 0.0102631, "FDA_Category_X_Structural_Similarity": 0.519036, "FDA_Category_X_Weighted_Contribution": 0.407475, "FDA_Category_X_Top_Rank": -0.0611711, "FDA_Category_D_and_X_L1000_Similarity": 0.721964, "FDA_Category_D_and_X_Structural_Similarity": -0.356053, "FDA_Category_D_and_X_Weighted_Contribution": -0.0896332, "FDA_Category_D_and_X_Top_Rank": -0.0805965, "Placenta_Crossing_L1000_Similarity": 0.309845, "Placenta_Crossing_Structural_Similarity": -0.730243, "Placenta_Crossing_Weighted_Contribution": -0.606915, "Placenta_Crossing_Top_Rank": -0.0855418, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)CCCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5", "InChI_key": "AEULVFLPCJOBCE-UHFFFAOYSA-N" } }, "CID:107867": { "type": "Drug", "properties": { "id": "CID:107867", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107867", "label": "otenzepad", "FDA_Category_D_L1000_Similarity": -0.161087, "FDA_Category_D_Structural_Similarity": -0.273204, "FDA_Category_D_Weighted_Contribution": -0.432122, "FDA_Category_D_Top_Rank": -0.0909138, "FDA_Category_X_L1000_Similarity": 0.555664, "FDA_Category_X_Structural_Similarity": -0.173661, "FDA_Category_X_Weighted_Contribution": -0.0217895, "FDA_Category_X_Top_Rank": -0.0817191, "FDA_Category_D_and_X_L1000_Similarity": 0.0298895, "FDA_Category_D_and_X_Structural_Similarity": -0.310552, "FDA_Category_D_and_X_Weighted_Contribution": -0.384305, "FDA_Category_D_and_X_Top_Rank": -0.0918569, "Placenta_Crossing_L1000_Similarity": -0.474739, "Placenta_Crossing_Structural_Similarity": -0.831818, "Placenta_Crossing_Weighted_Contribution": -0.945736, "Placenta_Crossing_Top_Rank": -0.0906931, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4", "InChI_key": "UBRKDAVQCKZSPO-UHFFFAOYSA-N" } }, "CID:107970": { "type": "Drug", "properties": { "id": "CID:107970", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107970", "label": "fingolimod", "FDA_Category_D_L1000_Similarity": -0.695411, "FDA_Category_D_Structural_Similarity": -0.714338, "FDA_Category_D_Weighted_Contribution": -0.970142, "FDA_Category_D_Top_Rank": -0.0957269, "FDA_Category_X_L1000_Similarity": 1.5474, "FDA_Category_X_Structural_Similarity": -0.670056, "FDA_Category_X_Weighted_Contribution": -0.0219115, "FDA_Category_X_Top_Rank": -0.0441994, "FDA_Category_D_and_X_L1000_Similarity": -0.129549, "FDA_Category_D_and_X_Structural_Similarity": -0.928539, "FDA_Category_D_and_X_Weighted_Contribution": -0.894035, "FDA_Category_D_and_X_Top_Rank": -0.0931909, "Placenta_Crossing_L1000_Similarity": 0.124965, "Placenta_Crossing_Structural_Similarity": -0.960955, "Placenta_Crossing_Weighted_Contribution": -0.834775, "Placenta_Crossing_Top_Rank": -0.0873226, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N", "InChI_key": "KKGQTZUTZRNORY-UHFFFAOYSA-N" } }, "CID:108001": { "type": "Drug", "properties": { "id": "CID:108001", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID108001", "label": "dihydroxyphenylglycine", "FDA_Category_D_L1000_Similarity": 0.140314, "FDA_Category_D_Structural_Similarity": 0.0493244, "FDA_Category_D_Weighted_Contribution": 0.00892496, "FDA_Category_D_Top_Rank": -0.083952, "FDA_Category_X_L1000_Similarity": -1.14593, "FDA_Category_X_Structural_Similarity": 0.0320929, "FDA_Category_X_Weighted_Contribution": -0.595389, "FDA_Category_X_Top_Rank": -0.0789931, "FDA_Category_D_and_X_L1000_Similarity": -0.227045, "FDA_Category_D_and_X_Structural_Similarity": 0.0564667, "FDA_Category_D_and_X_Weighted_Contribution": -0.195781, "FDA_Category_D_and_X_Top_Rank": -0.0851835, "Placenta_Crossing_L1000_Similarity": 0.0444616, "Placenta_Crossing_Structural_Similarity": -0.392198, "Placenta_Crossing_Weighted_Contribution": -0.449283, "Placenta_Crossing_Top_Rank": -0.0880043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C=C1O)O)C(C(=O)O)N", "InChI_key": "HOOWCUZPEFNHDT-UHFFFAOYSA-N" } }, "CID:108092": { "type": "Drug", "properties": { "id": "CID:108092", "label": "tesmilifene", "lsm": "LSM-3805", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/108092", "FDA_Category_D_L1000_Similarity": -0.553065, "FDA_Category_D_Structural_Similarity": 0.747356, "FDA_Category_D_Weighted_Contribution": 0.294467, "FDA_Category_D_Top_Rank": -0.0625208, "FDA_Category_X_L1000_Similarity": 0.360372, "FDA_Category_X_Structural_Similarity": 3.76715, "FDA_Category_X_Weighted_Contribution": 3.70874, "FDA_Category_X_Top_Rank": 0.460718, "FDA_Category_D_and_X_L1000_Similarity": -0.367309, "FDA_Category_D_and_X_Structural_Similarity": 2.62593, "FDA_Category_D_and_X_Weighted_Contribution": 2.326, "FDA_Category_D_and_X_Top_Rank": 0.124807, "Placenta_Crossing_L1000_Similarity": 0.753104, "Placenta_Crossing_Structural_Similarity": 0.215752, "Placenta_Crossing_Weighted_Contribution": 0.442261, "Placenta_Crossing_Top_Rank": -0.0773791, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2", "InChI_key": "NFIXBCVWIPOYCD-UHFFFAOYSA-N" } }, "CID:11052": { "type": "Drug", "properties": { "id": "CID:11052", "label": "orthothymotinic-acid", "lsm": "LSM-4155", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11052", "FDA_Category_D_L1000_Similarity": 1.66559, "FDA_Category_X_L1000_Similarity": 0.269911, "FDA_Category_D_and_X_L1000_Similarity": 1.51773, "Placenta_Crossing_L1000_Similarity": 0.700381, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=C(C=C1)C(C)C)O)C(=O)O", "InChI_key": "FNWNGQGTFICQJU-UHFFFAOYSA-N" } }, "CID:11054313": { "type": "Drug", "properties": { "id": "CID:11054313", "label": "ku-c103867", "lsm": "LSM-2577", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11054313", "FDA_Category_D_L1000_Similarity": -0.735635, "FDA_Category_D_Structural_Similarity": -0.449998, "FDA_Category_D_Weighted_Contribution": -0.815508, "FDA_Category_D_Top_Rank": -0.0935498, "FDA_Category_X_L1000_Similarity": 0.830007, "FDA_Category_X_Structural_Similarity": -0.743906, "FDA_Category_X_Weighted_Contribution": -0.419217, "FDA_Category_X_Top_Rank": -0.0761799, "FDA_Category_D_and_X_L1000_Similarity": -0.38207, "FDA_Category_D_and_X_Structural_Similarity": -0.758578, "FDA_Category_D_and_X_Weighted_Contribution": -0.876188, "FDA_Category_D_and_X_Top_Rank": -0.0946017, "Placenta_Crossing_L1000_Similarity": -0.416867, "Placenta_Crossing_Structural_Similarity": -0.764023, "Placenta_Crossing_Weighted_Contribution": -0.885194, "Placenta_Crossing_Top_Rank": -0.0905102, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2", "InChI_key": "ADVCMQZATPXDMZ-UHFFFAOYSA-N" } }, "CID:11210478": { "type": "Drug", "properties": { "id": "CID:11210478", "label": "wp 1066", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11210478", "FDA_Category_D_L1000_Similarity": 0.144587, "FDA_Category_X_L1000_Similarity": 0.122537, "FDA_Category_D_and_X_L1000_Similarity": 0.161845, "Placenta_Crossing_L1000_Similarity": -0.171353, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N", "InChI_key": "VFUAJMPDXIRPKO-LQELWAHVSA-N" } }, "CID:11222830": { "type": "Drug", "properties": { "id": "CID:11222830", "label": "WP-1130", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11222830", "FDA_Category_D_L1000_Similarity": 0.236148, "FDA_Category_X_L1000_Similarity": -0.20439, "FDA_Category_D_and_X_L1000_Similarity": 0.141498, "Placenta_Crossing_L1000_Similarity": 0.417876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11238823": { "type": "Drug", "properties": { "id": "CID:11238823", "label": "azilsartan medoxomil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11238823", "FDA_Category_D_L1000_Similarity": -0.0870393, "FDA_Category_D_Structural_Similarity": 0.778374, "FDA_Category_D_Weighted_Contribution": 0.608619, "FDA_Category_D_Top_Rank": -0.0612471, "FDA_Category_X_L1000_Similarity": -0.847514, "FDA_Category_X_Structural_Similarity": -0.543096, "FDA_Category_X_Weighted_Contribution": -0.908486, "FDA_Category_X_Top_Rank": -0.0903893, "FDA_Category_D_and_X_L1000_Similarity": -0.332402, "FDA_Category_D_and_X_Structural_Similarity": 0.324753, "FDA_Category_D_and_X_Weighted_Contribution": -0.00763213, "FDA_Category_D_and_X_Top_Rank": -0.0787749, "Placenta_Crossing_L1000_Similarity": -0.565526, "Placenta_Crossing_Structural_Similarity": -0.407357, "Placenta_Crossing_Weighted_Contribution": -0.695418, "Placenta_Crossing_Top_Rank": -0.0887879, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)OCC6=C(OC(=O)O6)C", "InChI_key": "QJFSABGVXDWMIW-UHFFFAOYSA-N" } }, "CID:11270783": { "type": "Drug", "properties": { "id": "CID:11270783", "label": "cvt-6883", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11270783", "FDA_Category_D_L1000_Similarity": -0.511126, "FDA_Category_D_Structural_Similarity": -0.527992, "FDA_Category_D_Weighted_Contribution": -0.778995, "FDA_Category_D_Top_Rank": -0.0944099, "FDA_Category_X_L1000_Similarity": -0.943458, "FDA_Category_X_Structural_Similarity": 0.0272519, "FDA_Category_X_Weighted_Contribution": -0.517124, "FDA_Category_X_Top_Rank": -0.079079, "FDA_Category_D_and_X_L1000_Similarity": -0.727108, "FDA_Category_D_and_X_Structural_Similarity": -0.404369, "FDA_Category_D_and_X_Weighted_Contribution": -0.771059, "FDA_Category_D_and_X_Top_Rank": -0.0930084, "Placenta_Crossing_L1000_Similarity": 0.0740155, "Placenta_Crossing_Structural_Similarity": -0.618168, "Placenta_Crossing_Weighted_Contribution": -0.612557, "Placenta_Crossing_Top_Rank": -0.087775, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)CC", "InChI_key": "KOYXXLLNCXWUNF-UHFFFAOYSA-N" } }, "CID:11282283": { "type": "Drug", "properties": { "id": "CID:11282283", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11282283", "label": "amuvatinib", "FDA_Category_D_L1000_Similarity": 0.219715, "FDA_Category_D_Structural_Similarity": 0.0900735, "FDA_Category_D_Weighted_Contribution": 0.0923239, "FDA_Category_D_Top_Rank": -0.0828334, "FDA_Category_X_L1000_Similarity": -0.442788, "FDA_Category_X_Structural_Similarity": 0.0542098, "FDA_Category_X_Weighted_Contribution": -0.277171, "FDA_Category_X_Top_Rank": -0.0784817, "FDA_Category_D_and_X_L1000_Similarity": 0.0549389, "FDA_Category_D_and_X_Structural_Similarity": 0.100744, "FDA_Category_D_and_X_Weighted_Contribution": -0.0139821, "FDA_Category_D_and_X_Top_Rank": -0.0840429, "Placenta_Crossing_L1000_Similarity": 0.0628582, "Placenta_Crossing_Structural_Similarity": 0.431553, "Placenta_Crossing_Weighted_Contribution": 0.306408, "Placenta_Crossing_Top_Rank": -0.0716128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6", "InChI_key": "FOFDIMHVKGYHRU-UHFFFAOYSA-N" } }, "CID:11292191": { "type": "Drug", "properties": { "id": "CID:11292191", "label": "azd-1981", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11292191", "FDA_Category_D_L1000_Similarity": -0.264693, "FDA_Category_D_Structural_Similarity": 0.209841, "FDA_Category_D_Weighted_Contribution": -0.0628915, "FDA_Category_D_Top_Rank": -0.0796454, "FDA_Category_X_L1000_Similarity": 0.646715, "FDA_Category_X_Structural_Similarity": -0.686473, "FDA_Category_X_Weighted_Contribution": -0.448486, "FDA_Category_X_Top_Rank": -0.0802514, "FDA_Category_D_and_X_L1000_Similarity": -0.0317778, "FDA_Category_D_and_X_Structural_Similarity": -0.203865, "FDA_Category_D_and_X_Weighted_Contribution": -0.32474, "FDA_Category_D_and_X_Top_Rank": -0.0903061, "Placenta_Crossing_L1000_Similarity": 0.649502, "Placenta_Crossing_Structural_Similarity": -0.0675263, "Placenta_Crossing_Weighted_Contribution": 0.109011, "Placenta_Crossing_Top_Rank": -0.0800205, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)Cl", "InChI_key": "JWYIGNODXSRKGP-UHFFFAOYSA-N" } }, "CID:1130": { "type": "Drug", "properties": { "id": "CID:1130", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1130", "label": "thiamine", "ref": "LSM-5996", "FDA_Category_D_L1000_Similarity": 0.135484, "FDA_Category_D_Structural_Similarity": -0.213224, "FDA_Category_D_Weighted_Contribution": -0.233593, "FDA_Category_D_Top_Rank": -0.0897928, "FDA_Category_X_L1000_Similarity": 1.28973, "FDA_Category_X_Structural_Similarity": -0.748193, "FDA_Category_X_Weighted_Contribution": -0.218272, "FDA_Category_X_Top_Rank": -0.0598516, "FDA_Category_D_and_X_L1000_Similarity": 0.508459, "FDA_Category_D_and_X_Structural_Similarity": -0.57296, "FDA_Category_D_and_X_Weighted_Contribution": -0.379514, "FDA_Category_D_and_X_Top_Rank": -0.0854786, "Placenta_Crossing_L1000_Similarity": 0.371736, "Placenta_Crossing_Structural_Similarity": -0.517379, "Placenta_Crossing_Weighted_Contribution": -0.416269, "Placenta_Crossing_Top_Rank": -0.0848228, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO", "InChI_key": "JZRWCGZRTZMZEH-UHFFFAOYSA-N" } }, "CID:11313361": { "type": "Drug", "properties": { "id": "CID:11313361", "label": "jnj-16259685", "lsm": "LSM-3443", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11313361", "FDA_Category_D_L1000_Similarity": 1.2166, "FDA_Category_D_Structural_Similarity": -0.671346, "FDA_Category_D_Weighted_Contribution": -0.0756412, "FDA_Category_D_Top_Rank": -0.0473805, "FDA_Category_X_L1000_Similarity": 0.379443, "FDA_Category_X_Structural_Similarity": -0.698811, "FDA_Category_X_Weighted_Contribution": -0.569406, "FDA_Category_X_Top_Rank": -0.084023, "FDA_Category_D_and_X_L1000_Similarity": 1.16396, "FDA_Category_D_and_X_Structural_Similarity": -0.909932, "FDA_Category_D_and_X_Weighted_Contribution": -0.354458, "FDA_Category_D_and_X_Top_Rank": -0.0579383, "Placenta_Crossing_L1000_Similarity": 0.431774, "Placenta_Crossing_Structural_Similarity": -1.03612, "Placenta_Crossing_Weighted_Contribution": -0.780973, "Placenta_Crossing_Top_Rank": -0.0840239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1CCC(CC1)C(=O)C2=CC3=CC4=C(N=C3C=C2)OCCC4", "InChI_key": "QOTAQTRFJWLFCR-UHFFFAOYSA-N" } }, "CID:11382492": { "type": "Drug", "properties": { "id": "CID:11382492", "label": "cmpd-1", "lsm": "LSM-3203", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11382492", "FDA_Category_D_L1000_Similarity": -0.990013, "FDA_Category_D_Structural_Similarity": -0.0379382, "FDA_Category_D_Weighted_Contribution": -0.628158, "FDA_Category_D_Top_Rank": -0.0860106, "FDA_Category_X_L1000_Similarity": -0.939346, "FDA_Category_X_Structural_Similarity": 0.0514464, "FDA_Category_X_Weighted_Contribution": -0.495361, "FDA_Category_X_Top_Rank": -0.0785654, "FDA_Category_D_and_X_L1000_Similarity": -1.13866, "FDA_Category_D_and_X_Structural_Similarity": -0.00235182, "FDA_Category_D_and_X_Weighted_Contribution": -0.651296, "FDA_Category_D_and_X_Top_Rank": -0.0864001, "Placenta_Crossing_L1000_Similarity": -2.41112, "Placenta_Crossing_Structural_Similarity": 0.180068, "Placenta_Crossing_Weighted_Contribution": -0.927592, "Placenta_Crossing_Top_Rank": -0.0782861, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)O)F", "InChI_key": "ODYAQBDIXCVKAE-UHFFFAOYSA-N" } }, "CID:11387409": { "type": "Drug", "properties": { "id": "CID:11387409", "label": "oglemilast", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11387409", "FDA_Category_D_L1000_Similarity": 0.307617, "FDA_Category_D_Structural_Similarity": 0.196132, "FDA_Category_D_Weighted_Contribution": 0.247094, "FDA_Category_D_Top_Rank": -0.0800235, "FDA_Category_X_L1000_Similarity": 0.887946, "FDA_Category_X_Structural_Similarity": 0.0988407, "FDA_Category_X_Weighted_Contribution": 0.427763, "FDA_Category_X_Top_Rank": -0.0747973, "FDA_Category_D_and_X_L1000_Similarity": 0.534828, "FDA_Category_D_and_X_Structural_Similarity": 0.209006, "FDA_Category_D_and_X_Weighted_Contribution": 0.349062, "FDA_Category_D_and_X_Top_Rank": -0.0814653, "Placenta_Crossing_L1000_Similarity": 1.40016, "Placenta_Crossing_Structural_Similarity": -0.40825, "Placenta_Crossing_Weighted_Contribution": 0.147634, "Placenta_Crossing_Top_Rank": -0.0482819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F", "InChI_key": "OKFDRAHPFKMAJH-UHFFFAOYSA-N" } }, "CID:11450633": { "type": "Drug", "properties": { "id": "CID:11450633", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11450633", "label": "alogliptin", "FDA_Category_D_L1000_Similarity": 0.826216, "FDA_Category_D_Structural_Similarity": -0.347616, "FDA_Category_D_Weighted_Contribution": 0.0133862, "FDA_Category_D_Top_Rank": -0.0746335, "FDA_Category_X_L1000_Similarity": -0.759708, "FDA_Category_X_Structural_Similarity": -0.499058, "FDA_Category_X_Weighted_Contribution": -0.84812, "FDA_Category_X_Top_Rank": -0.0898096, "FDA_Category_D_and_X_L1000_Similarity": 0.481506, "FDA_Category_D_and_X_Structural_Similarity": -0.545198, "FDA_Category_D_and_X_Weighted_Contribution": -0.369143, "FDA_Category_D_and_X_Top_Rank": -0.0859847, "Placenta_Crossing_L1000_Similarity": 0.684043, "Placenta_Crossing_Structural_Similarity": -0.187822, "Placenta_Crossing_Weighted_Contribution": 0.0115876, "Placenta_Crossing_Top_Rank": -0.0792867, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N", "InChI_key": "ZSBOMTDTBDDKMP-OAHLLOKOSA-N" } }, "CID:11488320": { "type": "Drug", "properties": { "id": "CID:11488320", "label": "sapitinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11488320", "FDA_Category_D_L1000_Similarity": -1.26534, "FDA_Category_D_Structural_Similarity": 1.32671, "FDA_Category_D_Weighted_Contribution": 0.460342, "FDA_Category_D_Top_Rank": -0.0324128, "FDA_Category_X_L1000_Similarity": -0.760352, "FDA_Category_X_Structural_Similarity": -0.574336, "FDA_Category_X_Weighted_Contribution": -0.900128, "FDA_Category_X_Top_Rank": -0.0907816, "FDA_Category_D_and_X_L1000_Similarity": -1.32164, "FDA_Category_D_and_X_Structural_Similarity": 0.743119, "FDA_Category_D_and_X_Weighted_Contribution": -0.13128, "FDA_Category_D_and_X_Top_Rank": -0.0658068, "Placenta_Crossing_L1000_Similarity": -1.22108, "Placenta_Crossing_Structural_Similarity": -0.112811, "Placenta_Crossing_Weighted_Contribution": -0.722346, "Placenta_Crossing_Top_Rank": -0.0844491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC", "InChI_key": "DFJSJLGUIXFDJP-UHFFFAOYSA-N" } }, "CID:11493598": { "type": "Drug", "properties": { "id": "CID:11493598", "label": "5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine", "lsm": "LSM-1110", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11493598", "FDA_Category_D_L1000_Similarity": 2.85592, "FDA_Category_D_Structural_Similarity": -0.147085, "FDA_Category_D_Weighted_Contribution": 1.47449, "FDA_Category_D_Top_Rank": 2.39355, "FDA_Category_X_L1000_Similarity": 1.1354, "FDA_Category_X_Structural_Similarity": -0.665025, "FDA_Category_X_Weighted_Contribution": -0.212795, "FDA_Category_X_Top_Rank": -0.0668701, "FDA_Category_D_and_X_L1000_Similarity": 2.80665, "FDA_Category_D_and_X_Structural_Similarity": -0.475588, "FDA_Category_D_and_X_Weighted_Contribution": 0.960605, "FDA_Category_D_and_X_Top_Rank": 1.09317, "Placenta_Crossing_L1000_Similarity": 2.65057, "Placenta_Crossing_Structural_Similarity": 0.0571594, "Placenta_Crossing_Weighted_Contribution": 1.29735, "Placenta_Crossing_Top_Rank": 0.422325, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N", "InChI_key": "XVECMUKVOMUNLE-UHFFFAOYSA-N" } }, "CID:11494970": { "type": "Drug", "properties": { "id": "CID:11494970", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11494970", "label": "trap-101", "FDA_Category_D_L1000_Similarity": -0.244219, "FDA_Category_D_Structural_Similarity": -0.501044, "FDA_Category_D_Weighted_Contribution": -0.647817, "FDA_Category_D_Top_Rank": -0.093935, "FDA_Category_X_L1000_Similarity": 0.0246864, "FDA_Category_X_Structural_Similarity": -0.646242, "FDA_Category_X_Weighted_Contribution": -0.667927, "FDA_Category_X_Top_Rank": -0.0874467, "FDA_Category_D_and_X_L1000_Similarity": -0.203022, "FDA_Category_D_and_X_Structural_Similarity": -0.746395, "FDA_Category_D_and_X_Weighted_Contribution": -0.803336, "FDA_Category_D_and_X_Top_Rank": -0.0936548, "Placenta_Crossing_L1000_Similarity": 0.343161, "Placenta_Crossing_Structural_Similarity": 0.762269, "Placenta_Crossing_Weighted_Contribution": 0.796174, "Placenta_Crossing_Top_Rank": -0.0609053, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=CC=CC=C2N(C1=O)C3=C(CN(CC3)CC4CCCCCCC4)CO", "InChI_key": "DCRGHMJXEBSRQG-UHFFFAOYSA-N" } }, "CID:11497983": { "type": "Drug", "properties": { "id": "CID:11497983", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11497983", "label": "barasertib", "FDA_Category_D_L1000_Similarity": 0.335737, "FDA_Category_D_Structural_Similarity": 1.63428, "FDA_Category_D_Weighted_Contribution": 1.80353, "FDA_Category_D_Top_Rank": -0.00185533, "FDA_Category_X_L1000_Similarity": 0.00147651, "FDA_Category_X_Structural_Similarity": -0.489172, "FDA_Category_X_Weighted_Contribution": -0.552806, "FDA_Category_X_Top_Rank": -0.0875975, "FDA_Category_D_and_X_L1000_Similarity": 0.289858, "FDA_Category_D_and_X_Structural_Similarity": 1.03319, "FDA_Category_D_and_X_Weighted_Contribution": 1.06523, "FDA_Category_D_and_X_Top_Rank": -0.0510808, "Placenta_Crossing_L1000_Similarity": -0.571765, "Placenta_Crossing_Structural_Similarity": -0.433121, "Placenta_Crossing_Weighted_Contribution": -0.715943, "Placenta_Crossing_Top_Rank": -0.0890462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOP(=O)(O)O", "InChI_key": "GBJVVSCPOBPEIT-UHFFFAOYSA-N" } }, "CID:115113": { "type": "Drug", "properties": { "id": "CID:115113", "label": "l-701324", "lsm": "LSM-2157", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/115113", "FDA_Category_D_L1000_Similarity": 1.17261, "FDA_Category_D_Structural_Similarity": -0.782616, "FDA_Category_D_Weighted_Contribution": -0.200004, "FDA_Category_D_Top_Rank": -0.0513519, "FDA_Category_X_L1000_Similarity": -0.405387, "FDA_Category_X_Structural_Similarity": -0.563286, "FDA_Category_X_Weighted_Contribution": -0.767244, "FDA_Category_X_Top_Rank": -0.0897053, "FDA_Category_D_and_X_L1000_Similarity": 0.887701, "FDA_Category_D_and_X_Structural_Similarity": -0.925119, "FDA_Category_D_and_X_Weighted_Contribution": -0.491082, "FDA_Category_D_and_X_Top_Rank": -0.0746322, "Placenta_Crossing_L1000_Similarity": 0.27203, "Placenta_Crossing_Structural_Similarity": -0.904972, "Placenta_Crossing_Weighted_Contribution": -0.74657, "Placenta_Crossing_Top_Rank": -0.0859607, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)O", "InChI_key": "FLVRDMUHUXVRET-UHFFFAOYSA-N" } }, "CID:115355": { "type": "Drug", "properties": { "id": "CID:115355", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID115355", "label": "nitisinone", "FDA_Category_D_L1000_Similarity": 0.945265, "FDA_Category_D_Structural_Similarity": 2.23315, "FDA_Category_D_Weighted_Contribution": 2.73489, "FDA_Category_D_Top_Rank": 0.0921869, "FDA_Category_X_L1000_Similarity": -0.33524, "FDA_Category_X_Structural_Similarity": -0.317849, "FDA_Category_X_Weighted_Contribution": -0.550507, "FDA_Category_X_Top_Rank": -0.0868152, "FDA_Category_D_and_X_L1000_Similarity": 0.713027, "FDA_Category_D_and_X_Structural_Similarity": 1.60097, "FDA_Category_D_and_X_Weighted_Contribution": 1.915, "FDA_Category_D_and_X_Top_Rank": -0.00588852, "Placenta_Crossing_L1000_Similarity": 0.119843, "Placenta_Crossing_Structural_Similarity": 1.83978, "Placenta_Crossing_Weighted_Contribution": 1.82887, "Placenta_Crossing_Top_Rank": 0.0151912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]", "InChI_key": "OUBCNLGXQFSTLU-UHFFFAOYSA-N" } }, "CID:11581936": { "type": "Drug", "properties": { "id": "CID:11581936", "label": "2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11581936", "FDA_Category_D_L1000_Similarity": 0.566869, "FDA_Category_D_Structural_Similarity": 3.12863, "FDA_Category_D_Weighted_Contribution": 3.25587, "FDA_Category_D_Top_Rank": 0.262624, "FDA_Category_X_L1000_Similarity": 3.66163, "FDA_Category_X_Structural_Similarity": -0.558717, "FDA_Category_X_Weighted_Contribution": 1.24261, "FDA_Category_X_Top_Rank": 2.75424, "FDA_Category_D_and_X_L1000_Similarity": 1.60062, "FDA_Category_D_and_X_Structural_Similarity": 2.18176, "FDA_Category_D_and_X_Weighted_Contribution": 2.89165, "FDA_Category_D_and_X_Top_Rank": 0.0596151, "Placenta_Crossing_L1000_Similarity": 0.821424, "Placenta_Crossing_Structural_Similarity": 2.03517, "Placenta_Crossing_Weighted_Contribution": 2.37761, "Placenta_Crossing_Top_Rank": 0.035703, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5", "InChI_key": "AZEXWHKOMMASPA-UHFFFAOYSA-N" } }, "CID:11646823": { "type": "Drug", "properties": { "id": "CID:11646823", "label": "CTEP", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11646823", "FDA_Category_D_L1000_Similarity": -0.169706, "FDA_Category_D_Structural_Similarity": 0.976684, "FDA_Category_D_Weighted_Contribution": 0.768377, "FDA_Category_D_Top_Rank": -0.0515843, "FDA_Category_X_L1000_Similarity": -0.293971, "FDA_Category_X_Structural_Similarity": -0.364338, "FDA_Category_X_Weighted_Contribution": -0.571427, "FDA_Category_X_Top_Rank": -0.0875975, "FDA_Category_D_and_X_L1000_Similarity": -0.235563, "FDA_Category_D_and_X_Structural_Similarity": 0.578612, "FDA_Category_D_and_X_Weighted_Contribution": 0.287232, "FDA_Category_D_and_X_Top_Rank": -0.0715982, "Placenta_Crossing_L1000_Similarity": -0.624034, "Placenta_Crossing_Structural_Similarity": 0.142936, "Placenta_Crossing_Weighted_Contribution": -0.286813, "Placenta_Crossing_Top_Rank": -0.0790289, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11674376": { "type": "Drug", "properties": { "id": "CID:11674376", "label": "ubp-302", "lsm": "LSM-1574", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11674376", "FDA_Category_D_L1000_Similarity": 0.990302, "FDA_Category_D_Structural_Similarity": 0.468061, "FDA_Category_D_Weighted_Contribution": 0.952914, "FDA_Category_D_Top_Rank": -0.0657707, "FDA_Category_X_L1000_Similarity": 0.927449, "FDA_Category_X_Structural_Similarity": 0.0172678, "FDA_Category_X_Weighted_Contribution": 0.362019, "FDA_Category_X_Top_Rank": -0.0736272, "FDA_Category_D_and_X_L1000_Similarity": 1.1353, "FDA_Category_D_and_X_Structural_Similarity": 0.380824, "FDA_Category_D_and_X_Weighted_Contribution": 0.874983, "FDA_Category_D_and_X_Top_Rank": -0.0602574, "Placenta_Crossing_L1000_Similarity": 1.23349, "Placenta_Crossing_Structural_Similarity": 0.626362, "Placenta_Crossing_Weighted_Contribution": 1.13551, "Placenta_Crossing_Top_Rank": -0.0600591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O", "InChI_key": "UUIYULWYHDSXHL-UHFFFAOYSA-N" } }, "CID:11683": { "type": "Drug", "properties": { "id": "CID:11683", "label": "megestrol acetate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11683", "FDA_Category_D_L1000_Similarity": -0.554456, "FDA_Category_D_Structural_Similarity": -0.202111, "FDA_Category_D_Weighted_Contribution": -0.558943, "FDA_Category_D_Top_Rank": -0.0895338, "FDA_Category_X_L1000_Similarity": 0.895925, "FDA_Category_X_Structural_Similarity": 2.84881, "FDA_Category_X_Weighted_Contribution": 3.27438, "FDA_Category_X_Top_Rank": 0.177124, "FDA_Category_D_and_X_L1000_Similarity": -0.205867, "FDA_Category_D_and_X_Structural_Similarity": 1.37679, "FDA_Category_D_and_X_Weighted_Contribution": 1.13557, "FDA_Category_D_and_X_Top_Rank": -0.0252404, "Placenta_Crossing_L1000_Similarity": -0.2336, "Placenta_Crossing_Structural_Similarity": -0.242605, "Placenta_Crossing_Weighted_Contribution": -0.442426, "Placenta_Crossing_Top_Rank": -0.0866235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C", "InChI_key": "RQZAXGRLVPAYTJ-GQFGMJRRSA-N" } }, "CID:11687907": { "type": "Drug", "properties": { "id": "CID:11687907", "label": "msx-122", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11687907", "FDA_Category_D_L1000_Similarity": 0.363739, "FDA_Category_D_Structural_Similarity": -0.889554, "FDA_Category_D_Weighted_Contribution": -0.671767, "FDA_Category_D_Top_Rank": -0.08779, "FDA_Category_X_L1000_Similarity": -0.280165, "FDA_Category_X_Structural_Similarity": -0.732752, "FDA_Category_X_Weighted_Contribution": -0.843731, "FDA_Category_X_Top_Rank": -0.0891752, "FDA_Category_D_and_X_L1000_Similarity": 0.228459, "FDA_Category_D_and_X_Structural_Similarity": -1.10144, "FDA_Category_D_and_X_Weighted_Contribution": -0.87658, "FDA_Category_D_and_X_Top_Rank": -0.0898677, "Placenta_Crossing_L1000_Similarity": 0.161801, "Placenta_Crossing_Structural_Similarity": -0.790184, "Placenta_Crossing_Weighted_Contribution": -0.705272, "Placenta_Crossing_Top_Rank": -0.086979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3", "InChI_key": "PXZXYRKDDXKDTK-UHFFFAOYSA-N" } }, "CID:11689583": { "type": "Drug", "properties": { "id": "CID:11689583", "label": "psb-36", "lsm": "LSM-1748", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11689583", "FDA_Category_D_L1000_Similarity": -1.00697, "FDA_Category_D_Structural_Similarity": -0.196122, "FDA_Category_D_Weighted_Contribution": -0.750101, "FDA_Category_D_Top_Rank": -0.089384, "FDA_Category_X_L1000_Similarity": 1.6153, "FDA_Category_X_Structural_Similarity": -0.0785898, "FDA_Category_X_Weighted_Contribution": 0.630137, "FDA_Category_X_Top_Rank": -0.0382127, "FDA_Category_D_and_X_L1000_Similarity": -0.377491, "FDA_Category_D_and_X_Structural_Similarity": -0.198071, "FDA_Category_D_and_X_Weighted_Contribution": -0.477126, "FDA_Category_D_and_X_Top_Rank": -0.0901978, "Placenta_Crossing_L1000_Similarity": -1.1557, "Placenta_Crossing_Structural_Similarity": 0.052002, "Placenta_Crossing_Weighted_Contribution": -0.577751, "Placenta_Crossing_Top_Rank": -0.0811689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN1C(=O)C2=C(N=C(N2)C34CC5CC(C3)CC4C5)N(C1=O)CCCO", "InChI_key": "CIBIXJYFYPFMTN-UHFFFAOYSA-N" } }, "CID:11719255": { "type": "Drug", "properties": { "id": "CID:11719255", "label": "AVA", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11719255", "FDA_Category_D_L1000_Similarity": 0.661324, "FDA_Category_X_L1000_Similarity": -0.121626, "FDA_Category_D_and_X_L1000_Similarity": 0.533137, "Placenta_Crossing_L1000_Similarity": 0.357333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11771279": { "type": "Drug", "properties": { "id": "CID:11771279", "label": "MRS-3777", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11771279", "FDA_Category_D_L1000_Similarity": 0.299212, "FDA_Category_D_Structural_Similarity": -0.158652, "FDA_Category_D_Weighted_Contribution": -0.0982304, "FDA_Category_D_Top_Rank": -0.088689, "FDA_Category_X_L1000_Similarity": 1.24741, "FDA_Category_X_Structural_Similarity": -0.638232, "FDA_Category_X_Weighted_Contribution": -0.135444, "FDA_Category_X_Top_Rank": -0.0617609, "FDA_Category_D_and_X_L1000_Similarity": 0.636749, "FDA_Category_D_and_X_Structural_Similarity": -0.470312, "FDA_Category_D_and_X_Weighted_Contribution": -0.232751, "FDA_Category_D_and_X_Top_Rank": -0.0826819, "Placenta_Crossing_L1000_Similarity": 1.04866, "Placenta_Crossing_Structural_Similarity": -0.116943, "Placenta_Crossing_Weighted_Contribution": 0.258269, "Placenta_Crossing_Top_Rank": -0.0686235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11773081": { "type": "Drug", "properties": { "id": "CID:11773081", "label": "norgestimate", "lsm": "LSM-1266", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11773081", "FDA_Category_D_L1000_Similarity": -1.10453, "FDA_Category_D_Structural_Similarity": 0.819555, "FDA_Category_D_Weighted_Contribution": 0.0481607, "FDA_Category_D_Top_Rank": -0.059793, "FDA_Category_X_L1000_Similarity": 0.97376, "FDA_Category_X_Structural_Similarity": 5.57841, "FDA_Category_X_Weighted_Contribution": 4.44701, "FDA_Category_X_Top_Rank": 1.45038, "FDA_Category_D_and_X_L1000_Similarity": -0.656412, "FDA_Category_D_and_X_Structural_Similarity": 3.66058, "FDA_Category_D_and_X_Weighted_Contribution": 3.05052, "FDA_Category_D_and_X_Top_Rank": 0.488898, "Placenta_Crossing_L1000_Similarity": -0.798708, "Placenta_Crossing_Structural_Similarity": 2.96937, "Placenta_Crossing_Weighted_Contribution": 2.4818, "Placenta_Crossing_Top_Rank": 0.18817, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34", "InChI_key": "KIQQMECNKUGGKA-OMEWWMGKSA-N" } }, "CID:118176": { "type": "Drug", "properties": { "id": "CID:118176", "label": "centpropazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/118176", "FDA_Category_D_L1000_Similarity": 0.494415, "FDA_Category_D_Structural_Similarity": -0.912986, "FDA_Category_D_Weighted_Contribution": -0.632489, "FDA_Category_D_Top_Rank": -0.0854082, "FDA_Category_X_L1000_Similarity": 2.12582, "FDA_Category_X_Structural_Similarity": -0.682266, "FDA_Category_X_Weighted_Contribution": 0.257348, "FDA_Category_X_Top_Rank": 0.034862, "FDA_Category_D_and_X_L1000_Similarity": 1.07176, "FDA_Category_D_and_X_Structural_Similarity": -1.0928, "FDA_Category_D_and_X_Weighted_Contribution": -0.54087, "FDA_Category_D_and_X_Top_Rank": -0.0647386, "Placenta_Crossing_L1000_Similarity": 0.862393, "Placenta_Crossing_Structural_Similarity": -1.03674, "Placenta_Crossing_Weighted_Contribution": -0.626384, "Placenta_Crossing_Top_Rank": -0.0746134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11822705": { "type": "Drug", "properties": { "id": "CID:11822705", "label": "bcl2-inhibitor", "lsm": "LSM-2861", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11822705", "FDA_Category_D_L1000_Similarity": -1.25286, "FDA_Category_D_Structural_Similarity": 0.547486, "FDA_Category_D_Weighted_Contribution": -0.27928, "FDA_Category_D_Top_Rank": -0.069452, "FDA_Category_X_L1000_Similarity": 0.184124, "FDA_Category_X_Structural_Similarity": -0.493031, "FDA_Category_X_Weighted_Contribution": -0.480566, "FDA_Category_X_Top_Rank": -0.0861004, "FDA_Category_D_and_X_L1000_Similarity": -1.02408, "FDA_Category_D_and_X_Structural_Similarity": 0.168509, "FDA_Category_D_and_X_Weighted_Contribution": -0.473885, "FDA_Category_D_and_X_Top_Rank": -0.0823219, "Placenta_Crossing_L1000_Similarity": -0.572617, "Placenta_Crossing_Structural_Similarity": 0.787229, "Placenta_Crossing_Weighted_Contribution": 0.33978, "Placenta_Crossing_Top_Rank": -0.0599234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)N=O)CCC2=C(C=CC(=C2)OC)N=O", "InChI_key": "YPSXFMHXRZAGTG-UHFFFAOYSA-N" } }, "CID:11857239": { "type": "Drug", "properties": { "id": "CID:11857239", "label": "narlaprevir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11857239", "FDA_Category_D_L1000_Similarity": 1.04183, "FDA_Category_D_Structural_Similarity": 2.90452, "FDA_Category_D_Weighted_Contribution": 3.29217, "FDA_Category_D_Top_Rank": 0.202313, "FDA_Category_X_L1000_Similarity": 0.79163, "FDA_Category_X_Structural_Similarity": -0.310641, "FDA_Category_X_Weighted_Contribution": -0.0401691, "FDA_Category_X_Top_Rank": -0.0771182, "FDA_Category_D_and_X_L1000_Similarity": 1.13848, "FDA_Category_D_and_X_Structural_Similarity": 2.13774, "FDA_Category_D_and_X_Weighted_Contribution": 2.64515, "FDA_Category_D_and_X_Top_Rank": 0.052985, "Placenta_Crossing_L1000_Similarity": 0.738239, "Placenta_Crossing_Structural_Similarity": 0.0797893, "Placenta_Crossing_Weighted_Contribution": 0.297283, "Placenta_Crossing_Top_Rank": -0.0779467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11868768": { "type": "Drug", "properties": { "id": "CID:11868768", "label": "androsterone", "lsm": "LSM-5513", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11868768", "FDA_Category_D_L1000_Similarity": -0.665796, "FDA_Category_X_L1000_Similarity": -1.3487, "FDA_Category_D_and_X_L1000_Similarity": -0.983501, "Placenta_Crossing_L1000_Similarity": 0.00917326, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:119373": { "type": "Drug", "properties": { "id": "CID:119373", "label": "elacridar", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119373", "FDA_Category_D_L1000_Similarity": 0.608975, "FDA_Category_D_Structural_Similarity": -0.947538, "FDA_Category_D_Weighted_Contribution": -0.60803, "FDA_Category_D_Top_Rank": -0.082356, "FDA_Category_X_L1000_Similarity": 2.60143, "FDA_Category_X_Structural_Similarity": -0.669104, "FDA_Category_X_Weighted_Contribution": 0.524153, "FDA_Category_X_Top_Rank": 0.215287, "FDA_Category_D_and_X_L1000_Similarity": 1.31495, "FDA_Category_D_and_X_Structural_Similarity": -1.11312, "FDA_Category_D_and_X_Weighted_Contribution": -0.450522, "FDA_Category_D_and_X_Top_Rank": -0.0455097, "Placenta_Crossing_L1000_Similarity": 1.15388, "Placenta_Crossing_Structural_Similarity": -1.00365, "Placenta_Crossing_Weighted_Contribution": -0.487999, "Placenta_Crossing_Top_Rank": -0.0641634, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC", "InChI_key": "OSFCMRGOZNQUSW-UHFFFAOYSA-N" } }, "CID:119461": { "type": "Drug", "properties": { "id": "CID:119461", "label": "AH-6809", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119461", "FDA_Category_D_L1000_Similarity": 0.288444, "FDA_Category_D_Structural_Similarity": -0.76282, "FDA_Category_D_Weighted_Contribution": -0.610283, "FDA_Category_D_Top_Rank": -0.0890226, "FDA_Category_X_L1000_Similarity": 0.079212, "FDA_Category_X_Structural_Similarity": 0.146963, "FDA_Category_X_Weighted_Contribution": 0.0591613, "FDA_Category_X_Top_Rank": -0.0754188, "FDA_Category_D_and_X_L1000_Similarity": 0.272711, "FDA_Category_D_and_X_Structural_Similarity": -0.52616, "FDA_Category_D_and_X_Weighted_Contribution": -0.448363, "FDA_Category_D_and_X_Top_Rank": -0.0893492, "Placenta_Crossing_L1000_Similarity": 0.129614, "Placenta_Crossing_Structural_Similarity": -0.30111, "Placenta_Crossing_Weighted_Contribution": -0.339069, "Placenta_Crossing_Top_Rank": -0.0872755, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11949646": { "type": "Drug", "properties": { "id": "CID:11949646", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11949646", "label": "empagliflozin", "FDA_Category_D_L1000_Similarity": 0.853841, "FDA_Category_D_Structural_Similarity": 2.97408, "FDA_Category_D_Weighted_Contribution": 3.26502, "FDA_Category_D_Top_Rank": 0.217671, "FDA_Category_X_L1000_Similarity": 0.677441, "FDA_Category_X_Structural_Similarity": -0.296571, "FDA_Category_X_Weighted_Contribution": -0.0817148, "FDA_Category_X_Top_Rank": -0.0795661, "FDA_Category_D_and_X_L1000_Similarity": 0.941751, "FDA_Category_D_and_X_Structural_Similarity": 2.20054, "FDA_Category_D_and_X_Weighted_Contribution": 2.60436, "FDA_Category_D_and_X_Top_Rank": 0.0614794, "Placenta_Crossing_L1000_Similarity": 1.00039, "Placenta_Crossing_Structural_Similarity": 1.70315, "Placenta_Crossing_Weighted_Contribution": 2.14445, "Placenta_Crossing_Top_Rank": -0.000762552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl", "InChI_key": "OBWASQILIWPZMG-QZMOQZSNSA-N" } }, "CID:11950170": { "type": "Drug", "properties": { "id": "CID:11950170", "label": "KD-025", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11950170", "FDA_Category_D_L1000_Similarity": -0.637556, "FDA_Category_D_Structural_Similarity": 0.851598, "FDA_Category_D_Weighted_Contribution": 0.349935, "FDA_Category_D_Top_Rank": -0.0585826, "FDA_Category_X_L1000_Similarity": -0.541968, "FDA_Category_X_Structural_Similarity": -0.56922, "FDA_Category_X_Weighted_Contribution": -0.82079, "FDA_Category_X_Top_Rank": -0.0901683, "FDA_Category_D_and_X_L1000_Similarity": -0.714168, "FDA_Category_D_and_X_Structural_Similarity": 0.368776, "FDA_Category_D_and_X_Weighted_Contribution": -0.161296, "FDA_Category_D_and_X_Top_Rank": -0.0777709, "Placenta_Crossing_L1000_Similarity": -0.675113, "Placenta_Crossing_Structural_Similarity": -0.803971, "Placenta_Crossing_Weighted_Contribution": -0.990037, "Placenta_Crossing_Top_Rank": -0.0912543, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11957722": { "type": "Drug", "properties": { "id": "CID:11957722", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11957722", "label": "terguride", "FDA_Category_D_L1000_Similarity": 0.464534, "FDA_Category_D_Structural_Similarity": -0.875528, "FDA_Category_D_Weighted_Contribution": -0.617518, "FDA_Category_D_Top_Rank": -0.0859389, "FDA_Category_X_L1000_Similarity": 1.28874, "FDA_Category_X_Structural_Similarity": 3.33941, "FDA_Category_X_Weighted_Contribution": 3.7298, "FDA_Category_X_Top_Rank": 0.289123, "FDA_Category_D_and_X_L1000_Similarity": 0.79181, "FDA_Category_D_and_X_Structural_Similarity": 1.10702, "FDA_Category_D_and_X_Weighted_Contribution": 1.44519, "FDA_Category_D_and_X_Top_Rank": -0.0456821, "Placenta_Crossing_L1000_Similarity": 1.08412, "Placenta_Crossing_Structural_Similarity": -0.530941, "Placenta_Crossing_Weighted_Contribution": -0.117372, "Placenta_Crossing_Top_Rank": -0.0670809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C", "InChI_key": "JOAHPSVPXZTVEP-QGPMSJSTSA-N" } }, "CID:12041": { "type": "Drug", "properties": { "id": "CID:12041", "label": "ethyl pyruvate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12041", "FDA_Category_D_L1000_Similarity": -0.688344, "FDA_Category_D_Structural_Similarity": 0.175636, "FDA_Category_D_Weighted_Contribution": -0.314838, "FDA_Category_D_Top_Rank": -0.0806213, "FDA_Category_X_L1000_Similarity": 1.06449, "FDA_Category_X_Structural_Similarity": -0.521471, "FDA_Category_X_Weighted_Contribution": -0.111532, "FDA_Category_X_Top_Rank": -0.0693941, "FDA_Category_D_and_X_L1000_Similarity": -0.270095, "FDA_Category_D_and_X_Structural_Similarity": -0.141979, "FDA_Category_D_and_X_Weighted_Contribution": -0.383968, "FDA_Category_D_and_X_Top_Rank": -0.0891369, "Placenta_Crossing_L1000_Similarity": -0.0240621, "Placenta_Crossing_Structural_Similarity": -0.433656, "Placenta_Crossing_Weighted_Contribution": -0.509675, "Placenta_Crossing_Top_Rank": -0.0885273, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C(=O)C", "InChI_key": "XXRCUYVCPSWGCC-UHFFFAOYSA-N" } }, "CID:1218": { "type": "Drug", "properties": { "id": "CID:1218", "label": "skf-81297", "lsm": "LSM-1301", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1218", "FDA_Category_D_L1000_Similarity": -0.996907, "FDA_Category_X_L1000_Similarity": -2.60586, "FDA_Category_D_and_X_L1000_Similarity": -1.65071, "Placenta_Crossing_L1000_Similarity": -0.880936, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3", "InChI_key": "GHWJEDJMOVUXEC-UHFFFAOYSA-N" } }, "CID:121892": { "type": "Drug", "properties": { "id": "CID:121892", "label": "ezogabine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/121892", "IDG_ID": "4181", "FDA_Category_D_L1000_Similarity": 0.780015, "FDA_Category_D_Structural_Similarity": -0.304218, "FDA_Category_D_Weighted_Contribution": 0.0288955, "FDA_Category_D_Top_Rank": -0.0767663, "FDA_Category_X_L1000_Similarity": 1.64189, "FDA_Category_X_Structural_Similarity": -0.690778, "FDA_Category_X_Weighted_Contribution": 0.00406489, "FDA_Category_X_Top_Rank": -0.0362393, "FDA_Category_D_and_X_L1000_Similarity": 1.171, "FDA_Category_D_and_X_Structural_Similarity": -0.614203, "FDA_Category_D_and_X_Weighted_Contribution": -0.0954409, "FDA_Category_D_and_X_Top_Rank": -0.0571451, "Placenta_Crossing_L1000_Similarity": 1.03854, "Placenta_Crossing_Structural_Similarity": -0.307186, "Placenta_Crossing_Weighted_Contribution": 0.0686341, "Placenta_Crossing_Top_Rank": -0.0690886, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N", "InChI_key": "PCOBBVZJEWWZFR-UHFFFAOYSA-N" } }, "CID:122077": { "type": "Drug", "properties": { "id": "CID:122077", "label": "lintitript", "lsm": "LSM-2780", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122077", "FDA_Category_D_L1000_Similarity": 1.11059, "FDA_Category_D_Structural_Similarity": 0.103886, "FDA_Category_D_Weighted_Contribution": 0.637014, "FDA_Category_D_Top_Rank": -0.0575934, "FDA_Category_X_L1000_Similarity": -0.828956, "FDA_Category_X_Structural_Similarity": 0.129014, "FDA_Category_X_Weighted_Contribution": -0.382243, "FDA_Category_X_Top_Rank": -0.0761096, "FDA_Category_D_and_X_L1000_Similarity": 0.705615, "FDA_Category_D_and_X_Structural_Similarity": 0.152072, "FDA_Category_D_and_X_Weighted_Contribution": 0.387943, "FDA_Category_D_and_X_Top_Rank": -0.0810605, "Placenta_Crossing_L1000_Similarity": 0.290249, "Placenta_Crossing_Structural_Similarity": 0.232441, "Placenta_Crossing_Weighted_Contribution": 0.223369, "Placenta_Crossing_Top_Rank": -0.0769575, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl", "InChI_key": "ILNRQFBVVQUOLP-UHFFFAOYSA-N" } }, "CID:122150": { "type": "Drug", "properties": { "id": "CID:122150", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID122150", "label": "saclofen", "FDA_Category_D_L1000_Similarity": 1.84687, "FDA_Category_D_Structural_Similarity": -0.806063, "FDA_Category_D_Weighted_Contribution": 0.147428, "FDA_Category_D_Top_Rank": 0.0935247, "FDA_Category_X_L1000_Similarity": 0.730106, "FDA_Category_X_Structural_Similarity": 0.608685, "FDA_Category_X_Weighted_Contribution": 0.902347, "FDA_Category_X_Top_Rank": -0.0572461, "FDA_Category_D_and_X_L1000_Similarity": 1.81375, "FDA_Category_D_and_X_Structural_Similarity": -0.311339, "FDA_Category_D_and_X_Weighted_Contribution": 0.548494, "FDA_Category_D_and_X_Top_Rank": 0.0353144, "Placenta_Crossing_L1000_Similarity": 1.54708, "Placenta_Crossing_Structural_Similarity": -0.973312, "Placenta_Crossing_Weighted_Contribution": -0.299459, "Placenta_Crossing_Top_Rank": -0.0346977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(CN)CS(=O)(=O)O)Cl", "InChI_key": "JYLNVJYYQQXNEK-UHFFFAOYSA-N" } }, "CID:122295": { "type": "Drug", "properties": { "id": "CID:122295", "label": "SKF-104078", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122295", "FDA_Category_D_L1000_Similarity": 0.382953, "FDA_Category_D_Structural_Similarity": 0.120503, "FDA_Category_D_Weighted_Contribution": 0.215724, "FDA_Category_D_Top_Rank": -0.0819966, "FDA_Category_X_L1000_Similarity": 0.984698, "FDA_Category_X_Structural_Similarity": -0.248506, "FDA_Category_X_Weighted_Contribution": 0.116883, "FDA_Category_X_Top_Rank": -0.0718446, "FDA_Category_D_and_X_L1000_Similarity": 0.629155, "FDA_Category_D_and_X_Structural_Similarity": -0.038448, "FDA_Category_D_and_X_Weighted_Contribution": 0.15821, "FDA_Category_D_and_X_Top_Rank": -0.0828396, "Placenta_Crossing_L1000_Similarity": 0.0207014, "Placenta_Crossing_Structural_Similarity": 2.6175, "Placenta_Crossing_Weighted_Contribution": 2.53968, "Placenta_Crossing_Top_Rank": 0.108345, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1234": { "type": "Drug", "properties": { "id": "CID:1234", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1234", "label": "gallopamil", "FDA_Category_D_L1000_Similarity": 1.11161, "FDA_Category_D_Structural_Similarity": 2.39683, "FDA_Category_D_Weighted_Contribution": 2.95164, "FDA_Category_D_Top_Rank": 0.116043, "FDA_Category_X_L1000_Similarity": 1.11026, "FDA_Category_X_Structural_Similarity": 1.38621, "FDA_Category_X_Weighted_Contribution": 1.99528, "FDA_Category_X_Top_Rank": -0.0153517, "FDA_Category_D_and_X_L1000_Similarity": 1.2954, "FDA_Category_D_and_X_Structural_Similarity": 2.65039, "FDA_Category_D_and_X_Weighted_Contribution": 3.10952, "FDA_Category_D_and_X_Top_Rank": 0.127553, "Placenta_Crossing_L1000_Similarity": 0.333202, "Placenta_Crossing_Structural_Similarity": -0.536276, "Placenta_Crossing_Weighted_Contribution": -0.447354, "Placenta_Crossing_Top_Rank": -0.0853097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC", "InChI_key": "XQLWNAFCTODIRK-UHFFFAOYSA-N" } }, "CID:123600": { "type": "Drug", "properties": { "id": "CID:123600", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123600", "label": "levosalbutamol", "FDA_Category_D_L1000_Similarity": -0.0526988, "FDA_Category_D_Structural_Similarity": -0.688009, "FDA_Category_D_Weighted_Contribution": -0.702508, "FDA_Category_D_Top_Rank": -0.092649, "FDA_Category_X_L1000_Similarity": 1.20804, "FDA_Category_X_Structural_Similarity": -0.36343, "FDA_Category_X_Weighted_Contribution": 0.113695, "FDA_Category_X_Top_Rank": -0.0637492, "FDA_Category_D_and_X_L1000_Similarity": 0.321434, "FDA_Category_D_and_X_Structural_Similarity": -0.742187, "FDA_Category_D_and_X_Weighted_Contribution": -0.593623, "FDA_Category_D_and_X_Top_Rank": -0.0886308, "Placenta_Crossing_L1000_Similarity": -0.3081, "Placenta_Crossing_Structural_Similarity": 0.489284, "Placenta_Crossing_Weighted_Contribution": 0.177657, "Placenta_Crossing_Top_Rank": -0.0698572, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O", "InChI_key": "NDAUXUAQIAJITI-LBPRGKRZSA-N" } }, "CID:123662": { "type": "Drug", "properties": { "id": "CID:123662", "label": "beta-ccp", "lsm": "LSM-3910", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123662", "FDA_Category_D_L1000_Similarity": -0.00550076, "FDA_Category_D_Structural_Similarity": -0.474958, "FDA_Category_D_Weighted_Contribution": -0.520975, "FDA_Category_D_Top_Rank": -0.0922083, "FDA_Category_X_L1000_Similarity": -1.32401, "FDA_Category_X_Structural_Similarity": -0.222976, "FDA_Category_X_Weighted_Contribution": -0.852514, "FDA_Category_X_Top_Rank": -0.0849935, "FDA_Category_D_and_X_L1000_Similarity": -0.406823, "FDA_Category_D_and_X_Structural_Similarity": -0.497298, "FDA_Category_D_and_X_Weighted_Contribution": -0.711513, "FDA_Category_D_and_X_Top_Rank": -0.0939851, "Placenta_Crossing_L1000_Similarity": -0.153827, "Placenta_Crossing_Structural_Similarity": -0.538267, "Placenta_Crossing_Weighted_Contribution": -0.638963, "Placenta_Crossing_Top_Rank": -0.0892999, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2", "InChI_key": "WGRVAGIQTHEEQW-UHFFFAOYSA-N" } }, "CID:123692": { "type": "Drug", "properties": { "id": "CID:123692", "label": "cs-110266", "lsm": "LSM-4551", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123692", "FDA_Category_D_L1000_Similarity": -0.380697, "FDA_Category_D_Structural_Similarity": -0.580414, "FDA_Category_D_Weighted_Contribution": -0.76238, "FDA_Category_D_Top_Rank": -0.0946256, "FDA_Category_X_L1000_Similarity": 0.0435212, "FDA_Category_X_Structural_Similarity": -0.733538, "FDA_Category_X_Weighted_Contribution": -0.727022, "FDA_Category_X_Top_Rank": -0.0872935, "FDA_Category_D_and_X_L1000_Similarity": -0.314955, "FDA_Category_D_and_X_Structural_Similarity": -0.856497, "FDA_Category_D_and_X_Weighted_Contribution": -0.913812, "FDA_Category_D_and_X_Top_Rank": -0.0942889, "Placenta_Crossing_L1000_Similarity": -0.246772, "Placenta_Crossing_Structural_Similarity": -0.964777, "Placenta_Crossing_Weighted_Contribution": -0.956256, "Placenta_Crossing_Top_Rank": -0.0898149, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4", "InChI_key": "RGSVXQJPSWZXOP-UHFFFAOYSA-N" } }, "CID:123767": { "type": "Drug", "properties": { "id": "CID:123767", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123767", "label": "norketamine", "FDA_Category_D_L1000_Similarity": 0.393184, "FDA_Category_D_Structural_Similarity": 0.584491, "FDA_Category_D_Weighted_Contribution": 0.701378, "FDA_Category_D_Top_Rank": -0.067924, "FDA_Category_X_L1000_Similarity": 0.0854297, "FDA_Category_X_Structural_Similarity": 1.52984, "FDA_Category_X_Weighted_Contribution": 1.58322, "FDA_Category_X_Top_Rank": -0.00718757, "FDA_Category_D_and_X_L1000_Similarity": 0.364872, "FDA_Category_D_and_X_Structural_Similarity": 1.28941, "FDA_Category_D_and_X_Weighted_Contribution": 1.3845, "FDA_Category_D_and_X_Top_Rank": -0.0325046, "Placenta_Crossing_L1000_Similarity": 0.719928, "Placenta_Crossing_Structural_Similarity": 0.282434, "Placenta_Crossing_Weighted_Contribution": 0.493418, "Placenta_Crossing_Top_Rank": -0.0754692, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(C(=O)C1)(C2=CC=CC=C2Cl)N", "InChI_key": "BEQZHFIKTBVCAU-UHFFFAOYSA-N" } }, "CID:123924": { "type": "Drug", "properties": { "id": "CID:123924", "label": "SNC-80", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123924", "FDA_Category_D_L1000_Similarity": 0.258885, "FDA_Category_D_Structural_Similarity": 0.397114, "FDA_Category_D_Weighted_Contribution": 0.422084, "FDA_Category_D_Top_Rank": -0.0744628, "FDA_Category_X_L1000_Similarity": -0.0924523, "FDA_Category_X_Structural_Similarity": -0.654328, "FDA_Category_X_Weighted_Contribution": -0.718656, "FDA_Category_X_Top_Rank": -0.0881881, "FDA_Category_D_and_X_L1000_Similarity": 0.195089, "FDA_Category_D_and_X_Structural_Similarity": -0.0378779, "FDA_Category_D_and_X_Weighted_Contribution": -0.0689592, "FDA_Category_D_and_X_Top_Rank": -0.0870846, "Placenta_Crossing_L1000_Similarity": -0.279304, "Placenta_Crossing_Structural_Similarity": 0.818171, "Placenta_Crossing_Weighted_Contribution": 0.523163, "Placenta_Crossing_Top_Rank": -0.0589458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:124007": { "type": "Drug", "properties": { "id": "CID:124007", "label": "CP-93129", "lsm": "LSM-3839", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/124007", "FDA_Category_D_L1000_Similarity": 1.53342, "FDA_Category_D_Structural_Similarity": -0.84279, "FDA_Category_D_Weighted_Contribution": -0.062597, "FDA_Category_D_Top_Rank": -0.00149683, "FDA_Category_X_L1000_Similarity": 0.330772, "FDA_Category_X_Structural_Similarity": -0.630194, "FDA_Category_X_Weighted_Contribution": -0.533418, "FDA_Category_X_Top_Rank": -0.0846135, "FDA_Category_D_and_X_L1000_Similarity": 1.42228, "FDA_Category_D_and_X_Structural_Similarity": -1.00898, "FDA_Category_D_and_X_Weighted_Contribution": -0.316393, "FDA_Category_D_and_X_Top_Rank": -0.0338643, "Placenta_Crossing_L1000_Similarity": 1.09852, "Placenta_Crossing_Structural_Similarity": -0.937284, "Placenta_Crossing_Weighted_Contribution": -0.457581, "Placenta_Crossing_Top_Rank": -0.0666421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:124087": { "type": "Drug", "properties": { "id": "CID:124087", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID124087", "label": "desloratadine", "FDA_Category_D_L1000_Similarity": -1.69979, "FDA_Category_D_Structural_Similarity": -0.830163, "FDA_Category_D_Weighted_Contribution": -1.33557, "FDA_Category_D_Top_Rank": -0.0966401, "FDA_Category_X_L1000_Similarity": 0.586308, "FDA_Category_X_Structural_Similarity": -0.617747, "FDA_Category_X_Weighted_Contribution": -0.4156, "FDA_Category_X_Top_Rank": -0.0812043, "FDA_Category_D_and_X_L1000_Similarity": -1.28719, "FDA_Category_D_and_X_Structural_Similarity": -0.992245, "FDA_Category_D_and_X_Weighted_Contribution": -1.27389, "FDA_Category_D_and_X_Top_Rank": -0.0965153, "Placenta_Crossing_L1000_Similarity": -1.76343, "Placenta_Crossing_Structural_Similarity": -0.504259, "Placenta_Crossing_Weighted_Contribution": -1.13079, "Placenta_Crossing_Top_Rank": -0.0897461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4", "InChI_key": "JAUOIFJMECXRGI-UHFFFAOYSA-N" } }, "CID:124202168": { "type": "Drug", "properties": { "id": "CID:124202168", "label": "HG-9-91-01", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/124202168", "FDA_Category_D_L1000_Similarity": 0.536772, "FDA_Category_D_Structural_Similarity": -0.381257, "FDA_Category_D_Weighted_Contribution": -0.174058, "FDA_Category_D_Top_Rank": -0.0843596, "FDA_Category_X_L1000_Similarity": 0.112652, "FDA_Category_X_Structural_Similarity": -0.510471, "FDA_Category_X_Weighted_Contribution": -0.524737, "FDA_Category_X_Top_Rank": -0.0867587, "FDA_Category_D_and_X_L1000_Similarity": 0.496922, "FDA_Category_D_and_X_Structural_Similarity": -0.578057, "FDA_Category_D_and_X_Weighted_Contribution": -0.388955, "FDA_Category_D_and_X_Top_Rank": -0.0856646, "Placenta_Crossing_L1000_Similarity": -0.10499, "Placenta_Crossing_Structural_Similarity": -0.510101, "Placenta_Crossing_Weighted_Contribution": -0.599661, "Placenta_Crossing_Top_Rank": -0.0890287, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:125017": { "type": "Drug", "properties": { "id": "CID:125017", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID125017", "label": "desvenlafaxine", "FDA_Category_D_L1000_Similarity": 0.224658, "FDA_Category_D_Structural_Similarity": -0.352185, "FDA_Category_D_Weighted_Contribution": -0.308995, "FDA_Category_D_Top_Rank": -0.0899338, "FDA_Category_X_L1000_Similarity": -0.358104, "FDA_Category_X_Structural_Similarity": -0.279488, "FDA_Category_X_Weighted_Contribution": -0.528506, "FDA_Category_X_Top_Rank": -0.0861134, "FDA_Category_D_and_X_L1000_Similarity": 0.0849033, "FDA_Category_D_and_X_Structural_Similarity": -0.430345, "FDA_Category_D_and_X_Weighted_Contribution": -0.455876, "FDA_Category_D_and_X_Top_Rank": -0.0914457, "Placenta_Crossing_L1000_Similarity": 1.00862, "Placenta_Crossing_Structural_Similarity": -0.711092, "Placenta_Crossing_Weighted_Contribution": -0.308755, "Placenta_Crossing_Top_Rank": -0.0700799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O", "InChI_key": "KYYIDSXMWOZKMP-UHFFFAOYSA-N" } }, "CID:125519": { "type": "Drug", "properties": { "id": "CID:125519", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID125519", "label": "aminogenistein", "FDA_Category_D_L1000_Similarity": 0.167801, "FDA_Category_D_Structural_Similarity": -0.270252, "FDA_Category_D_Weighted_Contribution": -0.266958, "FDA_Category_D_Top_Rank": -0.0905497, "FDA_Category_X_L1000_Similarity": -0.976725, "FDA_Category_X_Structural_Similarity": -0.479657, "FDA_Category_X_Weighted_Contribution": -0.909306, "FDA_Category_X_Top_Rank": -0.0895162, "FDA_Category_D_and_X_L1000_Similarity": -0.151968, "FDA_Category_D_and_X_Structural_Similarity": -0.473323, "FDA_Category_D_and_X_Weighted_Contribution": -0.591024, "FDA_Category_D_and_X_Top_Rank": -0.0933473, "Placenta_Crossing_L1000_Similarity": 0.470582, "Placenta_Crossing_Structural_Similarity": -0.159712, "Placenta_Crossing_Weighted_Contribution": -0.0627562, "Placenta_Crossing_Top_Rank": -0.0834257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O)N", "InChI_key": "YBQRUOMICVULNM-UHFFFAOYSA-N" } }, "CID:1257": { "type": "Drug", "properties": { "id": "CID:1257", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1257", "label": "quinpirole", "FDA_Category_D_L1000_Similarity": -0.264042, "FDA_Category_D_Structural_Similarity": -0.0140306, "FDA_Category_D_Weighted_Contribution": -0.264049, "FDA_Category_D_Top_Rank": -0.0855007, "FDA_Category_X_L1000_Similarity": 0.625866, "FDA_Category_X_Structural_Similarity": -0.246071, "FDA_Category_X_Weighted_Contribution": -0.0579541, "FDA_Category_X_Top_Rank": -0.0806254, "FDA_Category_D_and_X_L1000_Similarity": -0.0375384, "FDA_Category_D_and_X_Structural_Similarity": -0.143915, "FDA_Category_D_and_X_Weighted_Contribution": -0.276941, "FDA_Category_D_and_X_Top_Rank": -0.0891705, "Placenta_Crossing_L1000_Similarity": 0.293125, "Placenta_Crossing_Structural_Similarity": 0.0287613, "Placenta_Crossing_Weighted_Contribution": 0.0287323, "Placenta_Crossing_Top_Rank": -0.0817265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1CCCC2C1CC3=C(C2)NN=C3", "InChI_key": "FTSUPYGMFAPCFZ-UHFFFAOYSA-N" } }, "CID:126402": { "type": "Drug", "properties": { "id": "CID:126402", "label": "pre-084", "lsm": "LSM-3278", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/126402", "FDA_Category_D_L1000_Similarity": 1.04681, "FDA_Category_D_Structural_Similarity": 0.69975, "FDA_Category_D_Weighted_Contribution": 1.24222, "FDA_Category_D_Top_Rank": -0.0625495, "FDA_Category_X_L1000_Similarity": 1.31928, "FDA_Category_X_Structural_Similarity": 0.514488, "FDA_Category_X_Weighted_Contribution": 1.1298, "FDA_Category_X_Top_Rank": -0.0582311, "FDA_Category_D_and_X_L1000_Similarity": 1.30299, "FDA_Category_D_and_X_Structural_Similarity": 0.833017, "FDA_Category_D_and_X_Weighted_Contribution": 1.45855, "FDA_Category_D_and_X_Top_Rank": -0.0466953, "Placenta_Crossing_L1000_Similarity": 1.22743, "Placenta_Crossing_Structural_Similarity": 1.16607, "Placenta_Crossing_Weighted_Contribution": 1.71163, "Placenta_Crossing_Top_Rank": -0.0416861, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3", "InChI_key": "RQHKZUBCUZVZEF-UHFFFAOYSA-N" } }, "CID:126769": { "type": "Drug", "properties": { "id": "CID:126769", "label": "sb-200646", "lsm": "LSM-3738", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/126769", "FDA_Category_D_L1000_Similarity": 0.420075, "FDA_Category_D_Structural_Similarity": -0.393532, "FDA_Category_D_Weighted_Contribution": -0.245595, "FDA_Category_D_Top_Rank": -0.086825, "FDA_Category_X_L1000_Similarity": 0.301944, "FDA_Category_X_Structural_Similarity": -0.279683, "FDA_Category_X_Weighted_Contribution": -0.241931, "FDA_Category_X_Top_Rank": -0.0849186, "FDA_Category_D_and_X_L1000_Similarity": 0.453817, "FDA_Category_D_and_X_Structural_Similarity": -0.463268, "FDA_Category_D_and_X_Weighted_Contribution": -0.314022, "FDA_Category_D_and_X_Top_Rank": -0.0865719, "Placenta_Crossing_L1000_Similarity": 1.09886, "Placenta_Crossing_Structural_Similarity": -0.0245255, "Placenta_Crossing_Weighted_Contribution": 0.376282, "Placenta_Crossing_Top_Rank": -0.0666236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3", "InChI_key": "OJZZJTLBYXHUSJ-UHFFFAOYSA-N" } }, "CID:127382": { "type": "Drug", "properties": { "id": "CID:127382", "label": "ro-19-4605", "lsm": "LSM-3815", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/127382", "FDA_Category_D_L1000_Similarity": 1.03543, "FDA_Category_D_Structural_Similarity": -0.564446, "FDA_Category_D_Weighted_Contribution": -0.0748887, "FDA_Category_D_Top_Rank": -0.0632541, "FDA_Category_X_L1000_Similarity": 0.117898, "FDA_Category_X_Structural_Similarity": -0.336177, "FDA_Category_X_Weighted_Contribution": -0.374728, "FDA_Category_X_Top_Rank": -0.0867157, "FDA_Category_D_and_X_L1000_Similarity": 0.928357, "FDA_Category_D_and_X_Structural_Similarity": -0.629408, "FDA_Category_D_and_X_Weighted_Contribution": -0.228977, "FDA_Category_D_and_X_Top_Rank": -0.0728547, "Placenta_Crossing_L1000_Similarity": 1.04552, "Placenta_Crossing_Structural_Similarity": -0.742871, "Placenta_Crossing_Weighted_Contribution": -0.31981, "Placenta_Crossing_Top_Rank": -0.0688016, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C", "InChI_key": "ZIGMMUKDYCABPW-UHFFFAOYSA-N" } }, "CID:127951": { "type": "Drug", "properties": { "id": "CID:127951", "label": "rs-45041-190", "lsm": "LSM-2572", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/127951", "FDA_Category_D_L1000_Similarity": 0.935636, "FDA_Category_D_Structural_Similarity": -0.786343, "FDA_Category_D_Weighted_Contribution": -0.324239, "FDA_Category_D_Top_Rank": -0.0694125, "FDA_Category_X_L1000_Similarity": 1.08193, "FDA_Category_X_Structural_Similarity": -0.718484, "FDA_Category_X_Weighted_Contribution": -0.285939, "FDA_Category_X_Top_Rank": -0.068763, "FDA_Category_D_and_X_L1000_Similarity": 1.1351, "FDA_Category_D_and_X_Structural_Similarity": -1.01182, "FDA_Category_D_and_X_Weighted_Contribution": -0.450141, "FDA_Category_D_and_X_Top_Rank": -0.0602893, "Placenta_Crossing_L1000_Similarity": 0.694002, "Placenta_Crossing_Structural_Similarity": -0.0987905, "Placenta_Crossing_Weighted_Contribution": 0.100684, "Placenta_Crossing_Top_Rank": -0.0790632, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)N2CC3=C(C2)C(=CC=C3)Cl", "InChI_key": "IVCMOOBKRRDNHX-UHFFFAOYSA-N" } }, "CID:128018": { "type": "Drug", "properties": { "id": "CID:128018", "label": "gr-55562", "lsm": "LSM-3026", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/128018", "FDA_Category_D_L1000_Similarity": -0.90229, "FDA_Category_D_Structural_Similarity": -0.415374, "FDA_Category_D_Weighted_Contribution": -0.857485, "FDA_Category_D_Top_Rank": -0.093117, "FDA_Category_X_L1000_Similarity": 0.780592, "FDA_Category_X_Structural_Similarity": -0.371878, "FDA_Category_X_Weighted_Contribution": -0.104365, "FDA_Category_X_Top_Rank": -0.0774028, "FDA_Category_D_and_X_L1000_Similarity": -0.540727, "FDA_Category_D_and_X_Structural_Similarity": -0.530352, "FDA_Category_D_and_X_Weighted_Contribution": -0.785525, "FDA_Category_D_and_X_Top_Rank": -0.0942406, "Placenta_Crossing_L1000_Similarity": -0.707781, "Placenta_Crossing_Structural_Similarity": -0.50945, "Placenta_Crossing_Weighted_Contribution": -0.815561, "Placenta_Crossing_Top_Rank": -0.0897881, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3)O", "InChI_key": "ZAGAUUVCYGSPBP-UHFFFAOYSA-N" } }, "CID:128853": { "type": "Drug", "properties": { "id": "CID:128853", "label": "delphinidin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/128853", "FDA_Category_D_L1000_Similarity": -0.888919, "FDA_Category_D_Structural_Similarity": -0.691275, "FDA_Category_D_Weighted_Contribution": -1.02405, "FDA_Category_D_Top_Rank": -0.0957771, "FDA_Category_X_L1000_Similarity": -0.800549, "FDA_Category_X_Structural_Similarity": -0.716775, "FDA_Category_X_Weighted_Contribution": -1.00642, "FDA_Category_X_Top_Rank": -0.0908736, "FDA_Category_D_and_X_L1000_Similarity": -1.00938, "FDA_Category_D_and_X_Structural_Similarity": -0.935443, "FDA_Category_D_and_X_Weighted_Contribution": -1.17374, "FDA_Category_D_and_X_Top_Rank": -0.0962375, "Placenta_Crossing_L1000_Similarity": -0.0909412, "Placenta_Crossing_Structural_Similarity": -0.0996074, "Placenta_Crossing_Weighted_Contribution": -0.262864, "Placenta_Crossing_Top_Rank": -0.084166, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:128919": { "type": "Drug", "properties": { "id": "CID:128919", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID128919", "label": "xaliproden", "FDA_Category_D_L1000_Similarity": 0.54532, "FDA_Category_D_Structural_Similarity": 0.382495, "FDA_Category_D_Weighted_Contribution": 0.581634, "FDA_Category_D_Top_Rank": -0.074858, "FDA_Category_X_L1000_Similarity": -0.357324, "FDA_Category_X_Structural_Similarity": -0.428418, "FDA_Category_X_Weighted_Contribution": -0.647285, "FDA_Category_X_Top_Rank": -0.0886881, "FDA_Category_D_and_X_L1000_Similarity": 0.361561, "FDA_Category_D_and_X_Structural_Similarity": 0.0724192, "FDA_Category_D_and_X_Weighted_Contribution": 0.12072, "FDA_Category_D_and_X_Top_Rank": -0.0847918, "Placenta_Crossing_L1000_Similarity": 1.2914, "Placenta_Crossing_Structural_Similarity": -0.507443, "Placenta_Crossing_Weighted_Contribution": 0.000828342, "Placenta_Crossing_Top_Rank": -0.0562041, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3", "InChI_key": "WJJYZXPHLSLMGE-UHFFFAOYSA-N" } }, "CID:129010051": { "type": "Drug", "properties": { "id": "CID:129010051", "label": "dioscin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010051", "FDA_Category_D_L1000_Similarity": -0.38547, "FDA_Category_D_Structural_Similarity": -0.541441, "FDA_Category_D_Weighted_Contribution": -0.736983, "FDA_Category_D_Top_Rank": -0.0945545, "FDA_Category_X_L1000_Similarity": 1.60045, "FDA_Category_X_Structural_Similarity": -0.198269, "FDA_Category_X_Weighted_Contribution": 0.491622, "FDA_Category_X_Top_Rank": -0.0395018, "FDA_Category_D_and_X_L1000_Similarity": 0.153746, "FDA_Category_D_and_X_Structural_Similarity": -0.536734, "FDA_Category_D_and_X_Weighted_Contribution": -0.509001, "FDA_Category_D_and_X_Top_Rank": -0.0907637, "Placenta_Crossing_L1000_Similarity": -0.949721, "Placenta_Crossing_Structural_Similarity": -0.239401, "Placenta_Crossing_Weighted_Contribution": -0.714545, "Placenta_Crossing_Top_Rank": -0.0865599, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1292": { "type": "Drug", "properties": { "id": "CID:1292", "label": "mandelic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1292", "FDA_Category_D_L1000_Similarity": 0.898371, "FDA_Category_D_Structural_Similarity": -0.704455, "FDA_Category_D_Weighted_Contribution": -0.272519, "FDA_Category_D_Top_Rank": -0.071528, "FDA_Category_X_L1000_Similarity": 0.820413, "FDA_Category_X_Structural_Similarity": -0.758141, "FDA_Category_X_Weighted_Contribution": -0.435508, "FDA_Category_X_Top_Rank": -0.0764309, "FDA_Category_D_and_X_L1000_Similarity": 1.02356, "FDA_Category_D_and_X_Structural_Similarity": -0.968225, "FDA_Category_D_and_X_Weighted_Contribution": -0.465133, "FDA_Category_D_and_X_Top_Rank": -0.0675777, "Placenta_Crossing_L1000_Similarity": -0.143288, "Placenta_Crossing_Structural_Similarity": -1.11609, "Placenta_Crossing_Weighted_Contribution": -1.01479, "Placenta_Crossing_Top_Rank": -0.0892439, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C(=O)O)O", "InChI_key": "IWYDHOAUDWTVEP-UHFFFAOYSA-N" } }, "CID:129348": { "type": "Drug", "properties": { "id": "CID:129348", "label": "pco-400", "lsm": "LSM-3167", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129348", "FDA_Category_D_L1000_Similarity": 1.1473, "FDA_Category_D_Structural_Similarity": 0.00587067, "FDA_Category_D_Weighted_Contribution": 0.556273, "FDA_Category_D_Top_Rank": -0.0538832, "FDA_Category_X_L1000_Similarity": 0.457696, "FDA_Category_X_Structural_Similarity": -0.350836, "FDA_Category_X_Weighted_Contribution": -0.235721, "FDA_Category_X_Top_Rank": -0.0830446, "FDA_Category_D_and_X_L1000_Similarity": 1.12799, "FDA_Category_D_and_X_Structural_Similarity": -0.18465, "FDA_Category_D_and_X_Weighted_Contribution": 0.288317, "FDA_Category_D_and_X_Top_Rank": -0.0606366, "Placenta_Crossing_L1000_Similarity": 0.452691, "Placenta_Crossing_Structural_Similarity": -0.524871, "Placenta_Crossing_Weighted_Contribution": -0.388795, "Placenta_Crossing_Top_Rank": -0.0837309, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CC3)O)C", "InChI_key": "WJBHHTPFTVKZCV-CVEARBPZSA-N" } }, "CID:130611": { "type": "Drug", "properties": { "id": "CID:130611", "label": "kifunensine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/130611", "FDA_Category_D_L1000_Similarity": 0.344267, "FDA_Category_D_Structural_Similarity": -0.503276, "FDA_Category_D_Weighted_Contribution": -0.377646, "FDA_Category_D_Top_Rank": -0.0880677, "FDA_Category_X_L1000_Similarity": 1.3237, "FDA_Category_X_Structural_Similarity": -0.760668, "FDA_Category_X_Weighted_Contribution": -0.214104, "FDA_Category_X_Top_Rank": -0.0580262, "FDA_Category_D_and_X_L1000_Similarity": 0.698748, "FDA_Category_D_and_X_Structural_Similarity": -0.809911, "FDA_Category_D_and_X_Weighted_Contribution": -0.48382, "FDA_Category_D_and_X_Top_Rank": -0.0812607, "Placenta_Crossing_L1000_Similarity": 0.596102, "Placenta_Crossing_Structural_Similarity": -0.80772, "Placenta_Crossing_Weighted_Contribution": -0.555679, "Placenta_Crossing_Top_Rank": -0.081054, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O", "InChI_key": "OIURYJWYVIAOCW-PQMKYFCFSA-N" } }, "CID:130881": { "type": "Drug", "properties": { "id": "CID:130881", "label": "olmesartan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/130881", "FDA_Category_D_L1000_Similarity": 0.799504, "FDA_Category_D_Structural_Similarity": 3.83658, "FDA_Category_D_Weighted_Contribution": 3.73422, "FDA_Category_D_Top_Rank": 0.459845, "FDA_Category_X_L1000_Similarity": 0.257929, "FDA_Category_X_Structural_Similarity": -0.189823, "FDA_Category_X_Weighted_Contribution": -0.179302, "FDA_Category_X_Top_Rank": -0.0843383, "FDA_Category_D_and_X_L1000_Similarity": 0.767511, "FDA_Category_D_and_X_Structural_Similarity": 2.94272, "FDA_Category_D_and_X_Weighted_Contribution": 3.10704, "FDA_Category_D_and_X_Top_Rank": 0.192928, "Placenta_Crossing_L1000_Similarity": 0.731849, "Placenta_Crossing_Structural_Similarity": 0.288502, "Placenta_Crossing_Weighted_Contribution": 0.505907, "Placenta_Crossing_Top_Rank": -0.0752648, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O", "InChI_key": "UQGKUQLKSCSZGY-UHFFFAOYSA-N" } }, "CID:130956": { "type": "Drug", "properties": { "id": "CID:130956", "label": "minodronic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/130956", "FDA_Category_D_L1000_Similarity": 0.807234, "FDA_Category_D_Structural_Similarity": 1.90966, "FDA_Category_D_Weighted_Contribution": 2.36449, "FDA_Category_D_Top_Rank": 0.034906, "FDA_Category_X_L1000_Similarity": -0.817936, "FDA_Category_X_Structural_Similarity": -0.469779, "FDA_Category_X_Weighted_Contribution": -0.848022, "FDA_Category_X_Top_Rank": -0.0893607, "FDA_Category_D_and_X_L1000_Similarity": 0.447456, "FDA_Category_D_and_X_Structural_Similarity": 1.26223, "FDA_Category_D_and_X_Weighted_Contribution": 1.40489, "FDA_Category_D_and_X_Top_Rank": -0.0346879, "Placenta_Crossing_L1000_Similarity": 0.614858, "Placenta_Crossing_Structural_Similarity": 0.438739, "Placenta_Crossing_Weighted_Contribution": 0.600263, "Placenta_Crossing_Top_Rank": -0.0714002, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "VMMKGHQPQIEGSQ-UHFFFAOYSA-N" } }, "CID:131411": { "type": "Drug", "properties": { "id": "CID:131411", "label": "umifenovir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/131411", "FDA_Category_D_L1000_Similarity": -0.436401, "FDA_Category_D_Structural_Similarity": 6.15606, "FDA_Category_D_Weighted_Contribution": 4.22554, "FDA_Category_D_Top_Rank": 1.94771, "FDA_Category_X_L1000_Similarity": -0.0876597, "FDA_Category_X_Structural_Similarity": -0.337786, "FDA_Category_X_Weighted_Contribution": -0.46439, "FDA_Category_X_Top_Rank": -0.0871423, "FDA_Category_D_and_X_L1000_Similarity": -0.402805, "FDA_Category_D_and_X_Structural_Similarity": 4.70388, "FDA_Category_D_and_X_Weighted_Contribution": 3.71306, "FDA_Category_D_and_X_Top_Rank": 1.06876, "Placenta_Crossing_L1000_Similarity": -0.00600945, "Placenta_Crossing_Structural_Similarity": 3.34441, "Placenta_Crossing_Weighted_Contribution": 3.11447, "Placenta_Crossing_Top_Rank": 0.288443, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3", "InChI_key": "KCFYEAOKVJSACF-UHFFFAOYSA-N" } }, "CID:131906": { "type": "Drug", "properties": { "id": "CID:131906", "label": "s-14506", "lsm": "LSM-3034", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/131906", "FDA_Category_D_L1000_Similarity": -0.293488, "FDA_Category_D_Structural_Similarity": -0.374639, "FDA_Category_D_Weighted_Contribution": -0.574149, "FDA_Category_D_Top_Rank": -0.0925855, "FDA_Category_X_L1000_Similarity": 0.784822, "FDA_Category_X_Structural_Similarity": -0.453469, "FDA_Category_X_Weighted_Contribution": -0.179289, "FDA_Category_X_Top_Rank": -0.0772931, "FDA_Category_D_and_X_L1000_Similarity": -0.0146542, "FDA_Category_D_and_X_Structural_Similarity": -0.542046, "FDA_Category_D_and_X_Weighted_Contribution": -0.584867, "FDA_Category_D_and_X_Top_Rank": -0.0923147, "Placenta_Crossing_L1000_Similarity": -0.548707, "Placenta_Crossing_Structural_Similarity": 1.65216, "Placenta_Crossing_Weighted_Contribution": 1.26708, "Placenta_Crossing_Top_Rank": -0.00716823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1", "InChI_key": "IFMQODYDAUKKEN-UHFFFAOYSA-N" } }, "CID:132475": { "type": "Drug", "properties": { "id": "CID:132475", "label": "gbr-13069", "lsm": "LSM-2236", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132475", "FDA_Category_D_L1000_Similarity": -1.76583, "FDA_Category_D_Structural_Similarity": 2.09914, "FDA_Category_D_Weighted_Contribution": 0.971553, "FDA_Category_D_Top_Rank": 0.0667608, "FDA_Category_X_L1000_Similarity": 0.554375, "FDA_Category_X_Structural_Similarity": -0.646726, "FDA_Category_X_Weighted_Contribution": -0.453963, "FDA_Category_X_Top_Rank": -0.0817507, "FDA_Category_D_and_X_L1000_Similarity": -1.35382, "FDA_Category_D_and_X_Structural_Similarity": 1.31714, "FDA_Category_D_and_X_Weighted_Contribution": 0.398626, "FDA_Category_D_and_X_Top_Rank": -0.0297119, "Placenta_Crossing_L1000_Similarity": -1.21304, "Placenta_Crossing_Structural_Similarity": -0.914838, "Placenta_Crossing_Weighted_Contribution": -1.19767, "Placenta_Crossing_Top_Rank": -0.0920516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC=CC4=CC=CC=C4", "InChI_key": "DASHZBBQOARCMQ-UHFFFAOYSA-N" } }, "CID:132496": { "type": "Drug", "properties": { "id": "CID:132496", "label": "fgin-1-27", "lsm": "LSM-2201", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132496", "FDA_Category_D_L1000_Similarity": 0.383926, "FDA_Category_D_Structural_Similarity": -0.864638, "FDA_Category_D_Weighted_Contribution": -0.644671, "FDA_Category_D_Top_Rank": -0.0874378, "FDA_Category_X_L1000_Similarity": 0.212299, "FDA_Category_X_Structural_Similarity": -0.587966, "FDA_Category_X_Weighted_Contribution": -0.547353, "FDA_Category_X_Top_Rank": -0.0857997, "FDA_Category_D_and_X_L1000_Similarity": 0.395421, "FDA_Category_D_and_X_Structural_Similarity": -1.00354, "FDA_Category_D_and_X_Weighted_Contribution": -0.75061, "FDA_Category_D_and_X_Top_Rank": -0.0875057, "Placenta_Crossing_L1000_Similarity": 0.899127, "Placenta_Crossing_Structural_Similarity": -0.498202, "Placenta_Crossing_Weighted_Contribution": -0.172122, "Placenta_Crossing_Top_Rank": -0.0735784, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F", "InChI_key": "VUWXAQFLTSBUDB-UHFFFAOYSA-N" } }, "CID:134018": { "type": "Drug", "properties": { "id": "CID:134018", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID134018", "label": "febuxostat", "FDA_Category_D_L1000_Similarity": 0.617218, "FDA_Category_D_Structural_Similarity": -0.755551, "FDA_Category_D_Weighted_Contribution": -0.453777, "FDA_Category_D_Top_Rank": -0.0821204, "FDA_Category_X_L1000_Similarity": 1.18048, "FDA_Category_X_Structural_Similarity": 0.831246, "FDA_Category_X_Weighted_Contribution": 1.41194, "FDA_Category_X_Top_Rank": -0.0487853, "FDA_Category_D_and_X_L1000_Similarity": 0.890538, "FDA_Category_D_and_X_Structural_Similarity": -0.151154, "FDA_Category_D_and_X_Weighted_Contribution": 0.190855, "FDA_Category_D_and_X_Top_Rank": -0.0745335, "Placenta_Crossing_L1000_Similarity": -0.301027, "Placenta_Crossing_Structural_Similarity": -0.387642, "Placenta_Crossing_Weighted_Contribution": -0.582339, "Placenta_Crossing_Top_Rank": -0.0885591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O", "InChI_key": "BQSJTQLCZDPROO-UHFFFAOYSA-N" } }, "CID:134551": { "type": "Drug", "properties": { "id": "CID:134551", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID134551", "label": "ergocryptine", "FDA_Category_D_L1000_Similarity": -0.087672, "FDA_Category_D_Structural_Similarity": 0.550684, "FDA_Category_D_Weighted_Contribution": 0.37144, "FDA_Category_D_Top_Rank": -0.069353, "FDA_Category_X_L1000_Similarity": 2.08379, "FDA_Category_X_Structural_Similarity": 4.15167, "FDA_Category_X_Weighted_Contribution": 4.24229, "FDA_Category_X_Top_Rank": 0.654703, "FDA_Category_D_and_X_L1000_Similarity": 0.557231, "FDA_Category_D_and_X_Structural_Similarity": 2.67731, "FDA_Category_D_and_X_Weighted_Contribution": 2.82153, "FDA_Category_D_and_X_Top_Rank": 0.132278, "Placenta_Crossing_L1000_Similarity": 1.02988, "Placenta_Crossing_Structural_Similarity": 0.000276799, "Placenta_Crossing_Weighted_Contribution": 0.365981, "Placenta_Crossing_Top_Rank": -0.0694626, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O", "InChI_key": "YDOTUXAWKBPQJW-NSLWYYNWSA-N" } }, "CID:1348": { "type": "Drug", "properties": { "id": "CID:1348", "label": "my-5445", "lsm": "LSM-4024", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1348", "FDA_Category_D_L1000_Similarity": -0.437359, "FDA_Category_D_Structural_Similarity": -0.760151, "FDA_Category_D_Weighted_Contribution": -0.904474, "FDA_Category_D_Top_Rank": -0.0948805, "FDA_Category_X_L1000_Similarity": -1.36657, "FDA_Category_X_Structural_Similarity": -0.220586, "FDA_Category_X_Weighted_Contribution": -0.865642, "FDA_Category_X_Top_Rank": -0.0849374, "FDA_Category_D_and_X_L1000_Similarity": -0.792003, "FDA_Category_D_and_X_Structural_Similarity": -0.722369, "FDA_Category_D_and_X_Weighted_Contribution": -0.993554, "FDA_Category_D_and_X_Top_Rank": -0.0955521, "Placenta_Crossing_L1000_Similarity": -0.710971, "Placenta_Crossing_Structural_Similarity": 0.138705, "Placenta_Crossing_Weighted_Contribution": -0.327824, "Placenta_Crossing_Top_Rank": -0.0791519, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl", "InChI_key": "CEHQLKSLMFIHBF-UHFFFAOYSA-N" } }, "CID:13505": { "type": "Drug", "properties": { "id": "CID:13505", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID13505", "label": "diphenoxylate", "FDA_Category_D_L1000_Similarity": -0.0479414, "FDA_Category_D_Structural_Similarity": -0.729285, "FDA_Category_D_Weighted_Contribution": -0.730035, "FDA_Category_D_Top_Rank": -0.0926144, "FDA_Category_X_L1000_Similarity": -0.00819957, "FDA_Category_X_Structural_Similarity": 2.30034, "FDA_Category_X_Weighted_Contribution": 2.37211, "FDA_Category_X_Top_Rank": 0.0785595, "FDA_Category_D_and_X_L1000_Similarity": -0.0438205, "FDA_Category_D_and_X_Structural_Similarity": 0.662411, "FDA_Category_D_and_X_Weighted_Contribution": 0.479305, "FDA_Category_D_and_X_Top_Rank": -0.0686608, "Placenta_Crossing_L1000_Similarity": -0.717355, "Placenta_Crossing_Structural_Similarity": -0.852243, "Placenta_Crossing_Weighted_Contribution": -1.03055, "Placenta_Crossing_Top_Rank": -0.0913518, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4", "InChI_key": "HYPPXZBJBPSRLK-UHFFFAOYSA-N" } }, "CID:135179": { "type": "Drug", "properties": { "id": "CID:135179", "label": "emd-41000", "lsm": "LSM-3998", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135179", "FDA_Category_D_L1000_Similarity": -0.195845, "FDA_Category_D_Structural_Similarity": -0.704223, "FDA_Category_D_Weighted_Contribution": -0.773192, "FDA_Category_D_Top_Rank": -0.0936636, "FDA_Category_X_L1000_Similarity": 0.392559, "FDA_Category_X_Structural_Similarity": -0.551549, "FDA_Category_X_Weighted_Contribution": -0.441906, "FDA_Category_X_Top_Rank": -0.0838671, "FDA_Category_D_and_X_L1000_Similarity": -0.0496048, "FDA_Category_D_and_X_Structural_Similarity": -0.856565, "FDA_Category_D_and_X_Weighted_Contribution": -0.81927, "FDA_Category_D_and_X_Top_Rank": -0.0926261, "Placenta_Crossing_L1000_Similarity": 0.157356, "Placenta_Crossing_Structural_Similarity": -0.93782, "Placenta_Crossing_Weighted_Contribution": -0.808545, "Placenta_Crossing_Top_Rank": -0.0870028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)SC)C2=NC3=C(N2)C=NC=C3", "InChI_key": "DNCRQPWXCICAHX-UHFFFAOYSA-N" } }, "CID:135398745": { "type": "Drug", "properties": { "id": "CID:135398745", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135398745", "label": "olanzapine", "ref": "LSM-5359", "FDA_Category_D_L1000_Similarity": 0.693904, "FDA_Category_D_Structural_Similarity": -0.64932, "FDA_Category_D_Weighted_Contribution": -0.328103, "FDA_Category_D_Top_Rank": -0.0797697, "FDA_Category_X_L1000_Similarity": 0.843459, "FDA_Category_X_Structural_Similarity": -0.0453019, "FDA_Category_X_Weighted_Contribution": 0.252434, "FDA_Category_X_Top_Rank": -0.0758421, "FDA_Category_D_and_X_L1000_Similarity": 0.854299, "FDA_Category_D_and_X_Structural_Similarity": -0.539819, "FDA_Category_D_and_X_Weighted_Contribution": -0.187135, "FDA_Category_D_and_X_Top_Rank": -0.0758949, "Placenta_Crossing_L1000_Similarity": 1.62149, "Placenta_Crossing_Structural_Similarity": 0.853568, "Placenta_Crossing_Weighted_Contribution": 1.5922, "Placenta_Crossing_Top_Rank": -0.0264167, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C", "InChI_key": "KVWDHTXUZHCGIO-UHFFFAOYSA-N" } }, "CID:1354": { "type": "Drug", "properties": { "id": "CID:1354", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1354", "label": "m-chlorophenylbiguanide", "FDA_Category_D_L1000_Similarity": 0.644127, "FDA_Category_D_Structural_Similarity": -0.825555, "FDA_Category_D_Weighted_Contribution": -0.497364, "FDA_Category_D_Top_Rank": -0.0813058, "FDA_Category_X_L1000_Similarity": 0.445841, "FDA_Category_X_Structural_Similarity": -0.294502, "FDA_Category_X_Weighted_Contribution": -0.189214, "FDA_Category_X_Top_Rank": -0.0831789, "FDA_Category_D_and_X_L1000_Similarity": 0.69064, "FDA_Category_D_and_X_Structural_Similarity": -0.814166, "FDA_Category_D_and_X_Weighted_Contribution": -0.490701, "FDA_Category_D_and_X_Top_Rank": -0.0814815, "Placenta_Crossing_L1000_Similarity": 0.967764, "Placenta_Crossing_Structural_Similarity": -0.162484, "Placenta_Crossing_Weighted_Contribution": 0.173262, "Placenta_Crossing_Top_Rank": -0.0715335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N", "InChI_key": "DIHXJZHAIHGSAW-UHFFFAOYSA-N" } }, "CID:135409468": { "type": "Drug", "properties": { "id": "CID:135409468", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135409468", "label": "desmethylclozapine", "FDA_Category_D_L1000_Similarity": -0.919472, "FDA_Category_D_Structural_Similarity": 2.16528, "FDA_Category_D_Weighted_Contribution": 1.58473, "FDA_Category_D_Top_Rank": 0.0768798, "FDA_Category_X_L1000_Similarity": 1.2179, "FDA_Category_X_Structural_Similarity": -0.130279, "FDA_Category_X_Weighted_Contribution": 0.359691, "FDA_Category_X_Top_Rank": -0.0633338, "FDA_Category_D_and_X_L1000_Similarity": -0.422746, "FDA_Category_D_and_X_Structural_Similarity": 1.64831, "FDA_Category_D_and_X_Weighted_Contribution": 1.29618, "FDA_Category_D_and_X_Top_Rank": -0.00105668, "Placenta_Crossing_L1000_Similarity": -1.12522, "Placenta_Crossing_Structural_Similarity": 0.454451, "Placenta_Crossing_Weighted_Contribution": -0.237441, "Placenta_Crossing_Top_Rank": -0.0708956, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42", "InChI_key": "JNNOSTQEZICQQP-UHFFFAOYSA-N" } }, "CID:135412795": { "type": "Drug", "properties": { "id": "CID:135412795", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135412795", "label": "bentazepam", "FDA_Category_D_L1000_Similarity": -0.948411, "FDA_Category_D_Structural_Similarity": 2.67564, "FDA_Category_D_Weighted_Contribution": 2.10464, "FDA_Category_D_Top_Rank": 0.161493, "FDA_Category_X_L1000_Similarity": -1.44445, "FDA_Category_X_Structural_Similarity": -0.149097, "FDA_Category_X_Weighted_Contribution": -0.843003, "FDA_Category_X_Top_Rank": -0.0833542, "FDA_Category_D_and_X_L1000_Similarity": -1.2562, "FDA_Category_D_and_X_Structural_Similarity": 2.04324, "FDA_Category_D_and_X_Weighted_Contribution": 1.21879, "FDA_Category_D_and_X_Top_Rank": 0.0405028, "Placenta_Crossing_L1000_Similarity": -0.913857, "Placenta_Crossing_Structural_Similarity": 3.07075, "Placenta_Crossing_Weighted_Contribution": 2.52087, "Placenta_Crossing_Top_Rank": 0.212868, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4", "InChI_key": "AIZFEOPQVZBNGH-UHFFFAOYSA-N" } }, "CID:135413536": { "type": "Drug", "properties": { "id": "CID:135413536", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135413536", "label": "aprepitant", "FDA_Category_D_L1000_Similarity": 0.870626, "FDA_Category_D_Structural_Similarity": 2.22718, "FDA_Category_D_Weighted_Contribution": 2.69159, "FDA_Category_D_Top_Rank": 0.0895652, "FDA_Category_X_L1000_Similarity": 1.56735, "FDA_Category_X_Structural_Similarity": -0.140483, "FDA_Category_X_Weighted_Contribution": 0.536269, "FDA_Category_X_Top_Rank": -0.0424368, "FDA_Category_D_and_X_L1000_Similarity": 1.22647, "FDA_Category_D_and_X_Structural_Similarity": 1.69194, "FDA_Category_D_and_X_Weighted_Contribution": 2.28775, "FDA_Category_D_and_X_Top_Rank": 0.00328718, "Placenta_Crossing_L1000_Similarity": 0.557175, "Placenta_Crossing_Structural_Similarity": 1.52862, "Placenta_Crossing_Weighted_Contribution": 1.73536, "Placenta_Crossing_Top_Rank": -0.017749, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "NLYKDVVWGQZEED-BYYRLHKVSA-N" } }, "CID:135565082": { "type": "Drug", "properties": { "id": "CID:135565082", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135565082", "label": "talazoparib", "FDA_Category_D_L1000_Similarity": 0.138762, "FDA_Category_D_Structural_Similarity": 0.149667, "FDA_Category_D_Weighted_Contribution": 0.10411, "FDA_Category_D_Top_Rank": -0.0812225, "FDA_Category_X_L1000_Similarity": -1.6819, "FDA_Category_X_Structural_Similarity": 1.90134, "FDA_Category_X_Weighted_Contribution": 0.999178, "FDA_Category_X_Top_Rank": 0.0283601, "FDA_Category_D_and_X_L1000_Similarity": -0.391146, "FDA_Category_D_and_X_Structural_Similarity": 1.14475, "FDA_Category_D_and_X_Weighted_Contribution": 0.77793, "FDA_Category_D_and_X_Top_Rank": -0.0429191, "Placenta_Crossing_L1000_Similarity": -1.91274, "Placenta_Crossing_Structural_Similarity": 1.7637, "Placenta_Crossing_Weighted_Contribution": 0.644959, "Placenta_Crossing_Top_Rank": 0.00681519, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F", "InChI_key": "HWGQMRYQVZSGDQ-HZPDHXFCSA-N" } }, "CID:135565635": { "type": "Drug", "properties": { "id": "CID:135565635", "label": "PP-242", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135565635", "FDA_Category_D_L1000_Similarity": -2.177, "FDA_Category_D_Structural_Similarity": -0.828081, "FDA_Category_D_Weighted_Contribution": -1.44767, "FDA_Category_D_Top_Rank": -0.0966269, "FDA_Category_X_L1000_Similarity": -0.560386, "FDA_Category_X_Structural_Similarity": -0.665273, "FDA_Category_X_Weighted_Contribution": -0.893937, "FDA_Category_X_Top_Rank": -0.090225, "FDA_Category_D_and_X_L1000_Similarity": -2.04679, "FDA_Category_D_and_X_Structural_Similarity": -1.01624, "FDA_Category_D_and_X_Weighted_Contribution": -1.453, "FDA_Category_D_and_X_Top_Rank": -0.0967465, "Placenta_Crossing_L1000_Similarity": -1.50873, "Placenta_Crossing_Structural_Similarity": -0.661308, "Placenta_Crossing_Weighted_Contribution": -1.14532, "Placenta_Crossing_Top_Rank": -0.0909959, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:135688221": { "type": "Drug", "properties": { "id": "CID:135688221", "label": "at-csc-07", "lsm": "LSM-2537", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135688221", "FDA_Category_D_L1000_Similarity": 0.315436, "FDA_Category_D_Structural_Similarity": 0.827039, "FDA_Category_D_Weighted_Contribution": 0.913572, "FDA_Category_D_Top_Rank": -0.0594966, "FDA_Category_X_L1000_Similarity": -0.225122, "FDA_Category_X_Structural_Similarity": -0.694427, "FDA_Category_X_Weighted_Contribution": -0.796951, "FDA_Category_X_Top_Rank": -0.0889262, "FDA_Category_D_and_X_L1000_Similarity": 0.203536, "FDA_Category_D_and_X_Structural_Similarity": 0.281722, "FDA_Category_D_and_X_Weighted_Contribution": 0.237354, "FDA_Category_D_and_X_Top_Rank": -0.079825, "Placenta_Crossing_L1000_Similarity": 0.262754, "Placenta_Crossing_Structural_Similarity": 0.124052, "Placenta_Crossing_Weighted_Contribution": 0.10458, "Placenta_Crossing_Top_Rank": -0.0794461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)Cl)OCC(=O)NN=CC2=CC=CN2", "InChI_key": "CAISHCQFVSGCPA-CAOOACKPSA-N" } }, "CID:135925261": { "type": "Drug", "properties": { "id": "CID:135925261", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135925261", "label": "rifampicin", "FDA_Category_D_L1000_Similarity": -0.305605, "FDA_Category_D_Structural_Similarity": -0.305253, "FDA_Category_D_Weighted_Contribution": -0.525722, "FDA_Category_D_Top_Rank": -0.0914767, "FDA_Category_X_L1000_Similarity": 1.11764, "FDA_Category_X_Structural_Similarity": -0.563618, "FDA_Category_X_Weighted_Contribution": -0.126293, "FDA_Category_X_Top_Rank": -0.0674478, "FDA_Category_D_and_X_L1000_Similarity": 0.0759582, "FDA_Category_D_and_X_Structural_Similarity": -0.54641, "FDA_Category_D_and_X_Weighted_Contribution": -0.549877, "FDA_Category_D_and_X_Top_Rank": -0.0915318, "Placenta_Crossing_L1000_Similarity": 0.577216, "Placenta_Crossing_Structural_Similarity": -0.574986, "Placenta_Crossing_Weighted_Contribution": -0.37803, "Placenta_Crossing_Top_Rank": -0.0815256, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C", "InChI_key": "JQXXHWHPUNPDRT-YOPQJBRCSA-N" } }, "CID:135925692": { "type": "Drug", "properties": { "id": "CID:135925692", "label": "propylpyrazole", "lsm": "LSM-5934", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135925692", "FDA_Category_D_L1000_Similarity": 1.05743, "FDA_Category_X_L1000_Similarity": 2.04449, "FDA_Category_D_and_X_L1000_Similarity": 1.53239, "Placenta_Crossing_L1000_Similarity": 1.35527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=CN(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O", "InChI_key": "HTMIOGNQDXQXAQ-UHFFFAOYSA-N" } }, "CID:1361332": { "type": "Drug", "properties": { "id": "CID:1361332", "label": "SMI-4a", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1361332", "FDA_Category_D_L1000_Similarity": 0.61535, "FDA_Category_D_Structural_Similarity": -0.752023, "FDA_Category_D_Weighted_Contribution": -0.451803, "FDA_Category_D_Top_Rank": -0.082197, "FDA_Category_X_L1000_Similarity": -1.15205, "FDA_Category_X_Structural_Similarity": 1.52065, "FDA_Category_X_Weighted_Contribution": 0.868716, "FDA_Category_X_Top_Rank": -0.00764144, "FDA_Category_D_and_X_L1000_Similarity": 0.180573, "FDA_Category_D_and_X_Structural_Similarity": 0.223643, "FDA_Category_D_and_X_Weighted_Contribution": 0.168448, "FDA_Category_D_and_X_Top_Rank": -0.0811861, "Placenta_Crossing_L1000_Similarity": 0.0535283, "Placenta_Crossing_Structural_Similarity": -0.380301, "Placenta_Crossing_Weighted_Contribution": -0.436004, "Placenta_Crossing_Top_Rank": -0.087919, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:136238508": { "type": "Drug", "properties": { "id": "CID:136238508", "label": "rifapentine", "lsm": "LSM-5420", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/136238508", "FDA_Category_D_L1000_Similarity": -1.72817, "FDA_Category_D_Structural_Similarity": -0.19596, "FDA_Category_D_Weighted_Contribution": -1.02178, "FDA_Category_D_Top_Rank": -0.0893807, "FDA_Category_X_L1000_Similarity": -0.44484, "FDA_Category_X_Structural_Similarity": -0.565975, "FDA_Category_X_Weighted_Contribution": -0.783583, "FDA_Category_X_Top_Rank": -0.0898426, "FDA_Category_D_and_X_L1000_Similarity": -1.6248, "FDA_Category_D_and_X_Structural_Similarity": -0.460934, "FDA_Category_D_and_X_Weighted_Contribution": -1.1074, "FDA_Category_D_and_X_Top_Rank": -0.0936117, "Placenta_Crossing_L1000_Similarity": -1.38493, "Placenta_Crossing_Structural_Similarity": -0.523927, "Placenta_Crossing_Weighted_Contribution": -1.03646, "Placenta_Crossing_Top_Rank": -0.089897, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C6CCCC6)C", "InChI_key": "WDZCUPBHRAEYDL-NAFQJNKLSA-N" } }, "CID:13765": { "type": "Drug", "properties": { "id": "CID:13765", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID13765", "label": "ethylestrenol", "FDA_Category_D_L1000_Similarity": 0.763701, "FDA_Category_D_Structural_Similarity": -0.14686, "FDA_Category_D_Weighted_Contribution": 0.171862, "FDA_Category_D_Top_Rank": -0.0773464, "FDA_Category_X_L1000_Similarity": -0.0571519, "FDA_Category_X_Structural_Similarity": 2.66052, "FDA_Category_X_Weighted_Contribution": 2.70439, "FDA_Category_X_Top_Rank": 0.137656, "FDA_Category_D_and_X_L1000_Similarity": 0.64096, "FDA_Category_D_and_X_Structural_Similarity": 1.31904, "FDA_Category_D_and_X_Weighted_Contribution": 1.58036, "FDA_Category_D_and_X_Top_Rank": -0.0293353, "Placenta_Crossing_L1000_Similarity": -0.0866417, "Placenta_Crossing_Structural_Similarity": 0.352418, "Placenta_Crossing_Weighted_Contribution": 0.153836, "Placenta_Crossing_Top_Rank": -0.0737581, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CCC2C1(CCC3C2CCC4=CCCCC34)C)O", "InChI_key": "AOXRBFRFYPMWLR-XGXHKTLJSA-N" } }, "CID:14187": { "type": "Drug", "properties": { "id": "CID:14187", "label": "ST-1859", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/14187", "FDA_Category_D_L1000_Similarity": 0.486787, "FDA_Category_D_Structural_Similarity": -0.886782, "FDA_Category_D_Weighted_Contribution": -0.61618, "FDA_Category_D_Top_Rank": -0.0855386, "FDA_Category_X_L1000_Similarity": 1.03841, "FDA_Category_X_Structural_Similarity": -0.7166, "FDA_Category_X_Weighted_Contribution": -0.303807, "FDA_Category_X_Top_Rank": -0.0702841, "FDA_Category_D_and_X_L1000_Similarity": 0.734963, "FDA_Category_D_and_X_Structural_Similarity": -1.09053, "FDA_Category_D_and_X_Weighted_Contribution": -0.678469, "FDA_Category_D_and_X_Top_Rank": -0.0800849, "Placenta_Crossing_L1000_Similarity": 1.62263, "Placenta_Crossing_Structural_Similarity": 0.777268, "Placenta_Crossing_Weighted_Contribution": 1.51125, "Placenta_Crossing_Top_Rank": -0.025936, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:14403": { "type": "Drug", "properties": { "id": "CID:14403", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID14403", "label": "Aflatoxin-b1", "FDA_Category_D_L1000_Similarity": 0.41253, "FDA_Category_D_Structural_Similarity": -0.246715, "FDA_Category_D_Weighted_Contribution": -0.118109, "FDA_Category_D_Top_Rank": -0.0869877, "FDA_Category_X_L1000_Similarity": -1.20221, "FDA_Category_X_Structural_Similarity": -0.469745, "FDA_Category_X_Weighted_Contribution": -0.977078, "FDA_Category_X_Top_Rank": -0.0893593, "FDA_Category_D_and_X_L1000_Similarity": -0.00947836, "FDA_Category_D_and_X_Structural_Similarity": -0.449293, "FDA_Category_D_and_X_Weighted_Contribution": -0.51214, "FDA_Category_D_and_X_Top_Rank": -0.0922764, "Placenta_Crossing_L1000_Similarity": -0.737652, "Placenta_Crossing_Structural_Similarity": -0.341209, "Placenta_Crossing_Weighted_Contribution": -0.710462, "Placenta_Crossing_Top_Rank": -0.08802, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1456": { "type": "Drug", "properties": { "id": "CID:1456", "label": "odq", "lsm": "LSM-2568", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1456", "FDA_Category_D_L1000_Similarity": -0.0800792, "FDA_Category_D_Structural_Similarity": -0.958045, "FDA_Category_D_Weighted_Contribution": -0.897232, "FDA_Category_D_Top_Rank": -0.0928654, "FDA_Category_X_L1000_Similarity": -0.763474, "FDA_Category_X_Structural_Similarity": -0.751821, "FDA_Category_X_Weighted_Contribution": -1.01679, "FDA_Category_X_Top_Rank": -0.0907996, "FDA_Category_D_and_X_L1000_Similarity": -0.300881, "FDA_Category_D_and_X_Structural_Similarity": -1.16609, "FDA_Category_D_and_X_Weighted_Contribution": -1.0877, "FDA_Category_D_and_X_Top_Rank": -0.0941999, "Placenta_Crossing_L1000_Similarity": -0.889562, "Placenta_Crossing_Structural_Similarity": -1.13179, "Placenta_Crossing_Weighted_Contribution": -1.2234, "Placenta_Crossing_Top_Rank": -0.0916526, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)N=CC3=NOC(=O)N23", "InChI_key": "LZMHWZHOZLVYDL-UHFFFAOYSA-N" } }, "CID:145659": { "type": "Drug", "properties": { "id": "CID:145659", "label": "sinensetin", "lsm": "LSM-3903", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/145659", "FDA_Category_D_L1000_Similarity": 0.483038, "FDA_Category_D_Structural_Similarity": -0.534209, "FDA_Category_D_Weighted_Contribution": -0.335223, "FDA_Category_D_Top_Rank": -0.0855977, "FDA_Category_X_L1000_Similarity": 0.101959, "FDA_Category_X_Structural_Similarity": 0.915552, "FDA_Category_X_Weighted_Contribution": 0.893941, "FDA_Category_X_Top_Rank": -0.0449359, "FDA_Category_D_and_X_L1000_Similarity": 0.447345, "FDA_Category_D_and_X_Structural_Similarity": 0.0700188, "FDA_Category_D_and_X_Weighted_Contribution": 0.164515, "FDA_Category_D_and_X_Top_Rank": -0.0848669, "Placenta_Crossing_L1000_Similarity": 0.498556, "Placenta_Crossing_Structural_Similarity": -0.555012, "Placenta_Crossing_Weighted_Contribution": -0.394444, "Placenta_Crossing_Top_Rank": -0.0830041, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC", "InChI_key": "LKMNXYDUQXAUCZ-UHFFFAOYSA-N" } }, "CID:1464": { "type": "Drug", "properties": { "id": "CID:1464", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1464", "label": "bisbenzimide", "FDA_Category_D_L1000_Similarity": 0.233754, "FDA_Category_D_Structural_Similarity": 0.426673, "FDA_Category_D_Weighted_Contribution": 0.437391, "FDA_Category_D_Top_Rank": -0.0735623, "FDA_Category_X_L1000_Similarity": -1.39938, "FDA_Category_X_Structural_Similarity": -0.246196, "FDA_Category_X_Weighted_Contribution": -0.894452, "FDA_Category_X_Top_Rank": -0.085466, "FDA_Category_D_and_X_L1000_Similarity": -0.223465, "FDA_Category_D_and_X_Structural_Similarity": 0.205809, "FDA_Category_D_and_X_Weighted_Contribution": -0.0607197, "FDA_Category_D_and_X_Top_Rank": -0.0815219, "Placenta_Crossing_L1000_Similarity": -0.339658, "Placenta_Crossing_Structural_Similarity": -0.688321, "Placenta_Crossing_Weighted_Contribution": -0.810308, "Placenta_Crossing_Top_Rank": -0.0902176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "KTHLBVBTGUUEFS-DIBXZPPDSA-N" } }, "CID:148195": { "type": "Drug", "properties": { "id": "CID:148195", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID148195", "label": "lonafarnib", "FDA_Category_D_L1000_Similarity": -1.04719, "FDA_Category_D_Structural_Similarity": -0.862408, "FDA_Category_D_Weighted_Contribution": -1.16937, "FDA_Category_D_Top_Rank": -0.0963559, "FDA_Category_X_L1000_Similarity": -1.14276, "FDA_Category_X_Structural_Similarity": -0.669783, "FDA_Category_X_Weighted_Contribution": -1.08267, "FDA_Category_X_Top_Rank": -0.0914766, "FDA_Category_D_and_X_L1000_Similarity": -1.24973, "FDA_Category_D_and_X_Structural_Similarity": -1.04592, "FDA_Category_D_and_X_Weighted_Contribution": -1.28836, "FDA_Category_D_and_X_Top_Rank": -0.096481, "Placenta_Crossing_L1000_Similarity": -1.12835, "Placenta_Crossing_Structural_Similarity": -1.06688, "Placenta_Crossing_Weighted_Contribution": -1.25004, "Placenta_Crossing_Top_Rank": -0.0919706, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N", "InChI_key": "DHMTURDWPRKSOA-RUZDIDTESA-N" } }, "CID:14973220": { "type": "Drug", "properties": { "id": "CID:14973220", "label": "sd-169", "lsm": "LSM-4054", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/14973220", "FDA_Category_D_L1000_Similarity": -0.0437928, "FDA_Category_D_Structural_Similarity": -0.360721, "FDA_Category_D_Weighted_Contribution": -0.447483, "FDA_Category_D_Top_Rank": -0.0923579, "FDA_Category_X_L1000_Similarity": 0.316685, "FDA_Category_X_Structural_Similarity": -0.62838, "FDA_Category_X_Weighted_Contribution": -0.537705, "FDA_Category_X_Top_Rank": -0.084763, "FDA_Category_D_and_X_L1000_Similarity": 0.0584158, "FDA_Category_D_and_X_Structural_Similarity": -0.62538, "FDA_Category_D_and_X_Weighted_Contribution": -0.616287, "FDA_Category_D_and_X_Top_Rank": -0.0916731, "Placenta_Crossing_L1000_Similarity": 0.395792, "Placenta_Crossing_Structural_Similarity": -1.00905, "Placenta_Crossing_Weighted_Contribution": -0.774964, "Placenta_Crossing_Top_Rank": -0.0845374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CN2)C=C1C(=O)N", "InChI_key": "GQMYQEAXTITUAE-UHFFFAOYSA-N" } }, "CID:14987": { "type": "Drug", "properties": { "id": "CID:14987", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID14987", "label": "lysergol", "FDA_Category_D_L1000_Similarity": 0.568964, "FDA_Category_D_Structural_Similarity": -0.89961, "FDA_Category_D_Weighted_Contribution": -0.589417, "FDA_Category_D_Top_Rank": -0.0834996, "FDA_Category_X_L1000_Similarity": -1.04009, "FDA_Category_X_Structural_Similarity": 3.05723, "FDA_Category_X_Weighted_Contribution": 2.61298, "FDA_Category_X_Top_Rank": 0.234504, "FDA_Category_D_and_X_L1000_Similarity": 0.174599, "FDA_Category_D_and_X_Structural_Similarity": 0.935639, "FDA_Category_D_and_X_Weighted_Contribution": 0.892265, "FDA_Category_D_and_X_Top_Rank": -0.0565128, "Placenta_Crossing_L1000_Similarity": 0.377438, "Placenta_Crossing_Structural_Similarity": -0.595398, "Placenta_Crossing_Weighted_Contribution": -0.476639, "Placenta_Crossing_Top_Rank": -0.0847381, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)CO", "InChI_key": "BIXJFIJYBLJTMK-MEBBXXQBSA-N" } }, "CID:1505784": { "type": "Drug", "properties": { "id": "CID:1505784", "label": "sjb-af-2", "lsm": "LSM-3413", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1505784", "FDA_Category_D_L1000_Similarity": -1.07142, "FDA_Category_D_Structural_Similarity": -0.8532, "FDA_Category_D_Weighted_Contribution": -1.17195, "FDA_Category_D_Top_Rank": -0.0963854, "FDA_Category_X_L1000_Similarity": -0.931299, "FDA_Category_X_Structural_Similarity": -0.53062, "FDA_Category_X_Weighted_Contribution": -0.928197, "FDA_Category_X_Top_Rank": -0.0902272, "FDA_Category_D_and_X_L1000_Similarity": -1.2064, "FDA_Category_D_and_X_Structural_Similarity": -0.963516, "FDA_Category_D_and_X_Weighted_Contribution": -1.24021, "FDA_Category_D_and_X_Top_Rank": -0.0964485, "Placenta_Crossing_L1000_Similarity": -0.645836, "Placenta_Crossing_Structural_Similarity": -0.224045, "Placenta_Crossing_Weighted_Contribution": -0.590886, "Placenta_Crossing_Top_Rank": -0.0862852, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=CC(=CC=C4)Cl", "InChI_key": "WLHWOEPDMHMNLY-UHFFFAOYSA-N" } }, "CID:151118": { "type": "Drug", "properties": { "id": "CID:151118", "label": "cp1-1189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/151118", "FDA_Category_D_L1000_Similarity": 0.550513, "FDA_Category_D_Structural_Similarity": 1.14079, "FDA_Category_D_Weighted_Contribution": 1.40675, "FDA_Category_D_Top_Rank": -0.0435016, "FDA_Category_X_L1000_Similarity": -0.550124, "FDA_Category_X_Structural_Similarity": 0.342373, "FDA_Category_X_Weighted_Contribution": -0.0579809, "FDA_Category_X_Top_Rank": -0.0679546, "FDA_Category_D_and_X_L1000_Similarity": 0.307487, "FDA_Category_D_and_X_Structural_Similarity": 1.09021, "FDA_Category_D_and_X_Weighted_Contribution": 1.13685, "FDA_Category_D_and_X_Top_Rank": -0.0471886, "Placenta_Crossing_L1000_Similarity": 0.348325, "Placenta_Crossing_Structural_Similarity": 0.975603, "Placenta_Crossing_Weighted_Contribution": 1.02774, "Placenta_Crossing_Top_Rank": -0.0512819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C", "InChI_key": "DJKNRCWSXSZACF-UHFFFAOYSA-N" } }, "CID:151166": { "type": "Drug", "properties": { "id": "CID:151166", "label": "lumiracoxib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/151166", "IDG_ID": "1618", "FDA_Category_D_L1000_Similarity": -0.330186, "FDA_Category_D_Structural_Similarity": 2.95869, "FDA_Category_D_Weighted_Contribution": 2.71636, "FDA_Category_D_Top_Rank": 0.208953, "FDA_Category_X_L1000_Similarity": -0.749319, "FDA_Category_X_Structural_Similarity": -0.209629, "FDA_Category_X_Weighted_Contribution": -0.629601, "FDA_Category_X_Top_Rank": -0.0847694, "FDA_Category_D_and_X_L1000_Similarity": -0.512177, "FDA_Category_D_and_X_Structural_Similarity": 2.23523, "FDA_Category_D_and_X_Weighted_Contribution": 1.86135, "FDA_Category_D_and_X_Top_Rank": 0.0673377, "Placenta_Crossing_L1000_Similarity": 0.352259, "Placenta_Crossing_Structural_Similarity": 2.64779, "Placenta_Crossing_Weighted_Contribution": 2.7132, "Placenta_Crossing_Top_Rank": 0.115697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O", "InChI_key": "KHPKQFYUPIUARC-UHFFFAOYSA-N" } }, "CID:151194": { "type": "Drug", "properties": { "id": "CID:151194", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID151194", "label": "vatalanib", "FDA_Category_D_L1000_Similarity": -1.02646, "FDA_Category_D_Structural_Similarity": -0.315691, "FDA_Category_D_Weighted_Contribution": -0.839641, "FDA_Category_D_Top_Rank": -0.0916469, "FDA_Category_X_L1000_Similarity": -1.27348, "FDA_Category_X_Structural_Similarity": -0.274938, "FDA_Category_X_Weighted_Contribution": -0.871007, "FDA_Category_X_Top_Rank": -0.086043, "FDA_Category_D_and_X_L1000_Similarity": -1.27156, "FDA_Category_D_and_X_Structural_Similarity": -0.398924, "FDA_Category_D_and_X_Weighted_Contribution": -0.961445, "FDA_Category_D_and_X_Top_Rank": -0.0929377, "Placenta_Crossing_L1000_Similarity": -1.37214, "Placenta_Crossing_Structural_Similarity": -0.925214, "Placenta_Crossing_Weighted_Contribution": -1.2416, "Placenta_Crossing_Top_Rank": -0.0921377, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4", "InChI_key": "YCOYDOIWSSHVCK-UHFFFAOYSA-N" } }, "CID:15301607": { "type": "Drug", "properties": { "id": "CID:15301607", "label": "VU-0415012", "lsm": "LSM-2696", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15301607", "FDA_Category_D_L1000_Similarity": 0.30459, "FDA_Category_D_Structural_Similarity": 0.649769, "FDA_Category_D_Weighted_Contribution": 0.715688, "FDA_Category_D_Top_Rank": -0.065795, "FDA_Category_X_L1000_Similarity": 0.208078, "FDA_Category_X_Structural_Similarity": -0.423442, "FDA_Category_X_Weighted_Contribution": -0.411266, "FDA_Category_X_Top_Rank": -0.0858648, "FDA_Category_D_and_X_L1000_Similarity": 0.325749, "FDA_Category_D_and_X_Structural_Similarity": 0.287242, "FDA_Category_D_and_X_Weighted_Contribution": 0.310277, "FDA_Category_D_and_X_Top_Rank": -0.0796928, "Placenta_Crossing_L1000_Similarity": -0.107505, "Placenta_Crossing_Structural_Similarity": 0.748595, "Placenta_Crossing_Weighted_Contribution": 0.541364, "Placenta_Crossing_Top_Rank": -0.0613651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:15387": { "type": "Drug", "properties": { "id": "CID:15387", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15387", "label": "melperone", "FDA_Category_D_L1000_Similarity": -0.139705, "FDA_Category_D_Structural_Similarity": -0.4226, "FDA_Category_D_Weighted_Contribution": -0.541543, "FDA_Category_D_Top_Rank": -0.0932019, "FDA_Category_X_L1000_Similarity": 0.248988, "FDA_Category_X_Structural_Similarity": 0.0860621, "FDA_Category_X_Weighted_Contribution": 0.0831571, "FDA_Category_X_Top_Rank": -0.0775653, "FDA_Category_D_and_X_L1000_Similarity": -0.0448162, "FDA_Category_D_and_X_Structural_Similarity": -0.288985, "FDA_Category_D_and_X_Weighted_Contribution": -0.400831, "FDA_Category_D_and_X_Top_Rank": -0.0915663, "Placenta_Crossing_L1000_Similarity": 0.752637, "Placenta_Crossing_Structural_Similarity": -0.105498, "Placenta_Crossing_Weighted_Contribution": 0.122797, "Placenta_Crossing_Top_Rank": -0.0776036, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F", "InChI_key": "DKMFBWQBDIGMHM-UHFFFAOYSA-N" } }, "CID:153948": { "type": "Drug", "properties": { "id": "CID:153948", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID153948", "label": "ranirestat", "FDA_Category_D_L1000_Similarity": -0.559249, "FDA_Category_D_Structural_Similarity": 0.429279, "FDA_Category_D_Weighted_Contribution": -0.019066, "FDA_Category_D_Top_Rank": -0.0734399, "FDA_Category_X_L1000_Similarity": 0.270909, "FDA_Category_X_Structural_Similarity": -0.620604, "FDA_Category_X_Weighted_Contribution": -0.550047, "FDA_Category_X_Top_Rank": -0.0852252, "FDA_Category_D_and_X_L1000_Similarity": -0.39981, "FDA_Category_D_and_X_Structural_Similarity": 0.00584891, "FDA_Category_D_and_X_Weighted_Contribution": -0.321893, "FDA_Category_D_and_X_Top_Rank": -0.0861652, "Placenta_Crossing_L1000_Similarity": -0.337202, "Placenta_Crossing_Structural_Similarity": -0.968479, "Placenta_Crossing_Weighted_Contribution": -0.985947, "Placenta_Crossing_Top_Rank": -0.0902079, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=O)NC(=O)C12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F", "InChI_key": "QCVNMNYRNIMDKV-QGZVFWFLSA-N" } }, "CID:154059": { "type": "Drug", "properties": { "id": "CID:154059", "label": "solifenacin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/154059", "FDA_Category_D_L1000_Similarity": -0.754369, "FDA_Category_X_L1000_Similarity": 1.67322, "FDA_Category_D_and_X_L1000_Similarity": -0.142145, "Placenta_Crossing_L1000_Similarity": 0.404504, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5", "InChI_key": "FBOUYBDGKBSUES-VXKWHMMOSA-N" } }, "CID:154257": { "type": "Drug", "properties": { "id": "CID:154257", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID154257", "label": "bazedoxifene", "FDA_Category_D_L1000_Similarity": -1.45492, "FDA_Category_D_Structural_Similarity": 2.14752, "FDA_Category_D_Weighted_Contribution": 1.22339, "FDA_Category_D_Top_Rank": 0.0741019, "FDA_Category_X_L1000_Similarity": 1.42841, "FDA_Category_X_Structural_Similarity": 2.51814, "FDA_Category_X_Weighted_Contribution": 3.22488, "FDA_Category_X_Top_Rank": 0.112902, "FDA_Category_D_and_X_L1000_Similarity": -0.820383, "FDA_Category_D_and_X_Structural_Similarity": 3.06329, "FDA_Category_D_and_X_Weighted_Contribution": 2.49425, "FDA_Category_D_and_X_Top_Rank": 0.228855, "Placenta_Crossing_L1000_Similarity": -1.41156, "Placenta_Crossing_Structural_Similarity": 1.17642, "Placenta_Crossing_Weighted_Contribution": 0.303298, "Placenta_Crossing_Top_Rank": -0.0407221, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O", "InChI_key": "UCJGJABZCDBEDK-UHFFFAOYSA-N" } }, "CID:154575": { "type": "Drug", "properties": { "id": "CID:154575", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID154575", "label": "piclamilast", "FDA_Category_D_L1000_Similarity": 1.53048, "FDA_Category_D_Structural_Similarity": -0.429927, "FDA_Category_D_Weighted_Contribution": 0.337778, "FDA_Category_D_Top_Rank": -0.00167639, "FDA_Category_X_L1000_Similarity": 0.583821, "FDA_Category_X_Structural_Similarity": -0.502899, "FDA_Category_X_Weighted_Contribution": -0.316116, "FDA_Category_X_Top_Rank": -0.0812508, "FDA_Category_D_and_X_L1000_Similarity": 1.4966, "FDA_Category_D_and_X_Structural_Similarity": -0.612601, "FDA_Category_D_and_X_Weighted_Contribution": 0.0744661, "FDA_Category_D_and_X_Top_Rank": -0.0240632, "Placenta_Crossing_L1000_Similarity": 0.506075, "Placenta_Crossing_Structural_Similarity": -0.527507, "Placenta_Crossing_Weighted_Contribution": -0.368603, "Placenta_Crossing_Top_Rank": -0.0828597, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3", "InChI_key": "RRRUXBQSQLKHEL-UHFFFAOYSA-N" } }, "CID:154575236": { "type": "Drug", "properties": { "id": "CID:154575236", "label": "tribenoside", "lsm": "LSM-1671", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/154575236", "FDA_Category_D_L1000_Similarity": -0.373919, "FDA_Category_D_Structural_Similarity": 1.07515, "FDA_Category_D_Weighted_Contribution": 0.74572, "FDA_Category_D_Top_Rank": -0.0467787, "FDA_Category_X_L1000_Similarity": -1.86232, "FDA_Category_X_Structural_Similarity": -0.33419, "FDA_Category_X_Weighted_Contribution": -1.09719, "FDA_Category_X_Top_Rank": -0.0870771, "FDA_Category_D_and_X_L1000_Similarity": -0.887874, "FDA_Category_D_and_X_Structural_Similarity": 0.673035, "FDA_Category_D_and_X_Weighted_Contribution": 0.026616, "FDA_Category_D_and_X_Top_Rank": -0.0681383, "Placenta_Crossing_L1000_Similarity": -0.575888, "Placenta_Crossing_Structural_Similarity": 0.349492, "Placenta_Crossing_Weighted_Contribution": -0.0825965, "Placenta_Crossing_Top_Rank": -0.0738911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:15459": { "type": "Drug", "properties": { "id": "CID:15459", "label": "metaxalone", "ref": "LSM-1929", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15459", "FDA_Category_D_L1000_Similarity": 0.50892, "FDA_Category_D_Structural_Similarity": -0.275053, "FDA_Category_D_Weighted_Contribution": -0.0923462, "FDA_Category_D_Top_Rank": -0.0850852, "FDA_Category_X_L1000_Similarity": 0.308697, "FDA_Category_X_Structural_Similarity": 1.17719, "FDA_Category_X_Weighted_Contribution": 1.3089, "FDA_Category_X_Top_Rank": -0.0303059, "FDA_Category_D_and_X_L1000_Similarity": 0.532442, "FDA_Category_D_and_X_Structural_Similarity": 0.416892, "FDA_Category_D_and_X_Weighted_Contribution": 0.558766, "FDA_Category_D_and_X_Top_Rank": -0.0763368, "Placenta_Crossing_L1000_Similarity": 0.858932, "Placenta_Crossing_Structural_Similarity": 0.37409, "Placenta_Crossing_Weighted_Contribution": 0.662273, "Placenta_Crossing_Top_Rank": -0.073141, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C", "InChI_key": "IMWZZHHPURKASS-UHFFFAOYSA-N" } }, "CID:1550607": { "type": "Drug", "properties": { "id": "CID:1550607", "label": "auraptene", "lsm": "LSM-3904", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1550607", "FDA_Category_D_L1000_Similarity": 0.720867, "FDA_Category_D_Structural_Similarity": 0.481983, "FDA_Category_D_Weighted_Contribution": 0.7972, "FDA_Category_D_Top_Rank": -0.0716321, "FDA_Category_X_L1000_Similarity": 1.55158, "FDA_Category_X_Structural_Similarity": 1.22355, "FDA_Category_X_Weighted_Contribution": 2.05866, "FDA_Category_X_Top_Rank": -0.026468, "FDA_Category_D_and_X_L1000_Similarity": 1.09259, "FDA_Category_D_and_X_Structural_Similarity": 1.04278, "FDA_Category_D_and_X_Weighted_Contribution": 1.55596, "FDA_Category_D_and_X_Top_Rank": -0.0503173, "Placenta_Crossing_L1000_Similarity": 1.1553, "Placenta_Crossing_Structural_Similarity": 2.69724, "Placenta_Crossing_Weighted_Contribution": 3.07289, "Placenta_Crossing_Top_Rank": 0.126353, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C", "InChI_key": "RSDDHGSKLOSQFK-RVDMUPIBSA-N" } }, "CID:1554210": { "type": "Drug", "properties": { "id": "CID:1554210", "label": "CFTRinh-172", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1554210", "FDA_Category_D_L1000_Similarity": 0.322659, "FDA_Category_D_Structural_Similarity": 1.22414, "FDA_Category_D_Weighted_Contribution": 1.35203, "FDA_Category_D_Top_Rank": -0.0390427, "FDA_Category_X_L1000_Similarity": 0.328231, "FDA_Category_X_Structural_Similarity": 0.107759, "FDA_Category_X_Weighted_Contribution": 0.14496, "FDA_Category_X_Top_Rank": -0.0769076, "FDA_Category_D_and_X_L1000_Similarity": 0.377815, "FDA_Category_D_and_X_Structural_Similarity": 1.02976, "FDA_Category_D_and_X_Weighted_Contribution": 1.11433, "FDA_Category_D_and_X_Top_Rank": -0.0515006, "Placenta_Crossing_L1000_Similarity": 0.00179419, "Placenta_Crossing_Structural_Similarity": 0.623607, "Placenta_Crossing_Weighted_Contribution": 0.469623, "Placenta_Crossing_Top_Rank": -0.0657069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:155774": { "type": "Drug", "properties": { "id": "CID:155774", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID155774", "label": "xamoterol", "FDA_Category_D_L1000_Similarity": 0.690484, "FDA_Category_D_Structural_Similarity": -0.843182, "FDA_Category_D_Weighted_Contribution": -0.489775, "FDA_Category_D_Top_Rank": -0.0799254, "FDA_Category_X_L1000_Similarity": 1.01414, "FDA_Category_X_Structural_Similarity": -0.578157, "FDA_Category_X_Weighted_Contribution": -0.188538, "FDA_Category_X_Top_Rank": -0.0709598, "FDA_Category_D_and_X_L1000_Similarity": 0.903189, "FDA_Category_D_and_X_Structural_Similarity": -0.981216, "FDA_Category_D_and_X_Weighted_Contribution": -0.527792, "FDA_Category_D_and_X_Top_Rank": -0.0738597, "Placenta_Crossing_L1000_Similarity": 0.955026, "Placenta_Crossing_Structural_Similarity": -0.750625, "Placenta_Crossing_Weighted_Contribution": -0.364754, "Placenta_Crossing_Top_Rank": -0.0720152, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O", "InChI_key": "DXPOSRCHIDYWHW-UHFFFAOYSA-N" } }, "CID:15625": { "type": "Drug", "properties": { "id": "CID:15625", "label": "TCDD-dioxin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15625", "FDA_Category_D_L1000_Similarity": 0.689463, "FDA_Category_D_Structural_Similarity": -0.581121, "FDA_Category_D_Weighted_Contribution": -0.271649, "FDA_Category_D_Top_Rank": -0.0799676, "FDA_Category_X_L1000_Similarity": 1.88713, "FDA_Category_X_Structural_Similarity": -0.0212883, "FDA_Category_X_Weighted_Contribution": 0.845003, "FDA_Category_X_Top_Rank": -0.00749066, "FDA_Category_D_and_X_L1000_Similarity": 1.16742, "FDA_Category_D_and_X_Structural_Similarity": -0.47273, "FDA_Category_D_and_X_Weighted_Contribution": 0.0325521, "FDA_Category_D_and_X_Top_Rank": -0.0575812, "Placenta_Crossing_L1000_Similarity": 0.656698, "Placenta_Crossing_Structural_Similarity": -0.524704, "Placenta_Crossing_Weighted_Contribution": -0.302085, "Placenta_Crossing_Top_Rank": -0.0798456, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:156419": { "type": "Drug", "properties": { "id": "CID:156419", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID156419", "label": "cinacalcet", "FDA_Category_D_L1000_Similarity": -0.962199, "FDA_Category_D_Structural_Similarity": -0.368761, "FDA_Category_D_Weighted_Contribution": -0.84988, "FDA_Category_D_Top_Rank": -0.0924739, "FDA_Category_X_L1000_Similarity": -0.0129468, "FDA_Category_X_Structural_Similarity": -0.554653, "FDA_Category_X_Weighted_Contribution": -0.611113, "FDA_Category_X_Top_Rank": -0.0876898, "FDA_Category_D_and_X_L1000_Similarity": -0.833358, "FDA_Category_D_and_X_Structural_Similarity": -0.591979, "FDA_Category_D_and_X_Weighted_Contribution": -0.929786, "FDA_Category_D_and_X_Top_Rank": -0.0947396, "Placenta_Crossing_L1000_Similarity": -0.212027, "Placenta_Crossing_Structural_Similarity": -0.866475, "Placenta_Crossing_Weighted_Contribution": -0.884262, "Placenta_Crossing_Top_Rank": -0.0896527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F", "InChI_key": "VDHAWDNDOKGFTD-MRXNPFEDSA-N" } }, "CID:15723": { "type": "Drug", "properties": { "id": "CID:15723", "label": "azacyclonol", "lsm": "LSM-4191", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15723", "IDG_ID": "3680", "FDA_Category_D_L1000_Similarity": 0.883985, "FDA_Category_D_Structural_Similarity": -0.187379, "FDA_Category_D_Weighted_Contribution": 0.20137, "FDA_Category_D_Top_Rank": -0.0722753, "FDA_Category_X_L1000_Similarity": 0.163773, "FDA_Category_X_Structural_Similarity": -0.692767, "FDA_Category_X_Weighted_Contribution": -0.650076, "FDA_Category_X_Top_Rank": -0.0862844, "FDA_Category_D_and_X_L1000_Similarity": 0.811747, "FDA_Category_D_and_X_Structural_Similarity": -0.52254, "FDA_Category_D_and_X_Weighted_Contribution": -0.192892, "FDA_Category_D_and_X_Top_Rank": -0.0773065, "Placenta_Crossing_L1000_Similarity": 1.15901, "Placenta_Crossing_Structural_Similarity": 0.835994, "Placenta_Crossing_Weighted_Contribution": 1.32129, "Placenta_Crossing_Top_Rank": -0.0580974, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O", "InChI_key": "ZMISODWVFHHWNR-UHFFFAOYSA-N" } }, "CID:159311": { "type": "Drug", "properties": { "id": "CID:159311", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID159311", "label": "bulleyaconitine-a", "FDA_Category_D_L1000_Similarity": 0.950243, "FDA_Category_D_Structural_Similarity": 0.278314, "FDA_Category_D_Weighted_Contribution": 0.722776, "FDA_Category_D_Top_Rank": -0.0686014, "FDA_Category_X_L1000_Similarity": 0.342545, "FDA_Category_X_Structural_Similarity": -0.335506, "FDA_Category_X_Weighted_Contribution": -0.274216, "FDA_Category_X_Top_Rank": -0.0844706, "FDA_Category_D_and_X_L1000_Similarity": 0.923149, "FDA_Category_D_and_X_Structural_Similarity": 0.0398635, "FDA_Category_D_and_X_Weighted_Contribution": 0.397737, "FDA_Category_D_and_X_Top_Rank": -0.0729968, "Placenta_Crossing_L1000_Similarity": 0.954602, "Placenta_Crossing_Structural_Similarity": -0.289037, "Placenta_Crossing_Weighted_Contribution": 0.045486, "Placenta_Crossing_Top_Rank": -0.0720471, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "GAZDXIGXYWVWQX-VEWJSYFXSA-N" } }, "CID:159603": { "type": "Drug", "properties": { "id": "CID:159603", "label": "resiquimod", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/159603", "FDA_Category_D_L1000_Similarity": 1.12357, "FDA_Category_D_Structural_Similarity": 1.16039, "FDA_Category_D_Weighted_Contribution": 1.7902, "FDA_Category_D_Top_Rank": -0.0424942, "FDA_Category_X_L1000_Similarity": -0.200913, "FDA_Category_X_Structural_Similarity": -0.109065, "FDA_Category_X_Weighted_Contribution": -0.315091, "FDA_Category_X_Top_Rank": -0.0825175, "FDA_Category_D_and_X_L1000_Similarity": 0.907519, "FDA_Category_D_and_X_Structural_Similarity": 0.862164, "FDA_Category_D_and_X_Weighted_Contribution": 1.25288, "FDA_Category_D_and_X_Top_Rank": -0.0606366, "Placenta_Crossing_L1000_Similarity": 0.477145, "Placenta_Crossing_Structural_Similarity": -0.500504, "Placenta_Crossing_Weighted_Contribution": -0.358362, "Placenta_Crossing_Top_Rank": -0.0833349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N", "InChI_key": "BXNMTOQRYBFHNZ-UHFFFAOYSA-N" } }, "CID:16046239": { "type": "Drug", "properties": { "id": "CID:16046239", "label": "tcb2", "lsm": "LSM-1450", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16046239", "FDA_Category_D_L1000_Similarity": 0.552734, "FDA_Category_D_Structural_Similarity": 0.520445, "FDA_Category_D_Weighted_Contribution": 0.732788, "FDA_Category_D_Top_Rank": -0.0702805, "FDA_Category_X_L1000_Similarity": -0.715012, "FDA_Category_X_Structural_Similarity": -0.173072, "FDA_Category_X_Weighted_Contribution": -0.587027, "FDA_Category_X_Top_Rank": -0.0839762, "FDA_Category_D_and_X_L1000_Similarity": 0.259325, "FDA_Category_D_and_X_Structural_Similarity": 0.319695, "FDA_Category_D_and_X_Weighted_Contribution": 0.305536, "FDA_Category_D_and_X_Top_Rank": -0.0789076, "Placenta_Crossing_L1000_Similarity": 0.9296, "Placenta_Crossing_Structural_Similarity": -0.998677, "Placenta_Crossing_Weighted_Contribution": -0.572283, "Placenta_Crossing_Top_Rank": -0.0727363, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C2=C1C(C2)CN)OC)Br", "InChI_key": "MPBCKKVERDTCEL-UHFFFAOYSA-N" } }, "CID:1607628": { "type": "Drug", "properties": { "id": "CID:1607628", "label": "emf-sumo1-3", "lsm": "LSM-6693", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1607628", "FDA_Category_D_L1000_Similarity": -0.145686, "FDA_Category_D_Structural_Similarity": 1.36345, "FDA_Category_D_Weighted_Contribution": 1.20433, "FDA_Category_D_Top_Rank": -0.0299805, "FDA_Category_X_L1000_Similarity": -1.41316, "FDA_Category_X_Structural_Similarity": -0.651991, "FDA_Category_X_Weighted_Contribution": -1.15089, "FDA_Category_X_Top_Rank": -0.0915661, "FDA_Category_D_and_X_L1000_Similarity": -0.554737, "FDA_Category_D_and_X_Structural_Similarity": 0.730379, "FDA_Category_D_and_X_Weighted_Contribution": 0.260485, "FDA_Category_D_and_X_Top_Rank": -0.0663306, "Placenta_Crossing_L1000_Similarity": -0.967583, "Placenta_Crossing_Structural_Similarity": 0.680884, "Placenta_Crossing_Weighted_Contribution": 0.0405617, "Placenta_Crossing_Top_Rank": -0.0636382, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=NN=C1SCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])C3=CC=C(C=C3)Cl", "InChI_key": "HSXDVXSIMYPYTJ-UHFFFAOYSA-N" } }, "CID:16094766": { "type": "Drug", "properties": { "id": "CID:16094766", "label": "brd-k34608650", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16094766", "FDA_Category_D_L1000_Similarity": -0.0455119, "FDA_Category_D_Structural_Similarity": -0.611171, "FDA_Category_D_Weighted_Contribution": -0.643189, "FDA_Category_D_Top_Rank": -0.0925816, "FDA_Category_X_L1000_Similarity": -1.09144, "FDA_Category_X_Structural_Similarity": -0.509568, "FDA_Category_X_Weighted_Contribution": -0.966994, "FDA_Category_X_Top_Rank": -0.0899624, "FDA_Category_D_and_X_L1000_Similarity": -0.370687, "FDA_Category_D_and_X_Structural_Similarity": -0.760055, "FDA_Category_D_and_X_Weighted_Contribution": -0.873085, "FDA_Category_D_and_X_Top_Rank": -0.0945341, "Placenta_Crossing_L1000_Similarity": 0.888201, "Placenta_Crossing_Structural_Similarity": -0.724069, "Placenta_Crossing_Weighted_Contribution": -0.370847, "Placenta_Crossing_Top_Rank": -0.0740009, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NC5CCCCC5", "InChI_key": "SPEFJYZGXZENAF-UHFFFAOYSA-N" } }, "CID:16118392": { "type": "Drug", "properties": { "id": "CID:16118392", "label": "golvatinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16118392", "FDA_Category_D_L1000_Similarity": -1.46427, "FDA_Category_D_Structural_Similarity": -0.331021, "FDA_Category_D_Weighted_Contribution": -1.01032, "FDA_Category_D_Top_Rank": -0.0919007, "FDA_Category_X_L1000_Similarity": 0.162884, "FDA_Category_X_Structural_Similarity": -0.477363, "FDA_Category_X_Weighted_Contribution": -0.47634, "FDA_Category_X_Top_Rank": -0.086292, "FDA_Category_D_and_X_L1000_Similarity": -1.21276, "FDA_Category_D_and_X_Structural_Similarity": -0.520319, "FDA_Category_D_and_X_Weighted_Contribution": -1.01304, "FDA_Category_D_and_X_Top_Rank": -0.0941781, "Placenta_Crossing_L1000_Similarity": -1.59998, "Placenta_Crossing_Structural_Similarity": 0.0186262, "Placenta_Crossing_Weighted_Contribution": -0.764565, "Placenta_Crossing_Top_Rank": -0.0819375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F", "InChI_key": "UQRCJCNVNUFYDX-UHFFFAOYSA-N" } }, "CID:16124": { "type": "Drug", "properties": { "id": "CID:16124", "label": "medronic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16124", "FDA_Category_D_L1000_Similarity": 0.050448, "FDA_Category_D_Structural_Similarity": 0.00754709, "FDA_Category_D_Weighted_Contribution": -0.0793244, "FDA_Category_D_Top_Rank": -0.084994, "FDA_Category_X_L1000_Similarity": 0.329047, "FDA_Category_X_Structural_Similarity": -0.680191, "FDA_Category_X_Weighted_Contribution": -0.574722, "FDA_Category_X_Top_Rank": -0.0846364, "FDA_Category_D_and_X_L1000_Similarity": 0.143418, "FDA_Category_D_and_X_Structural_Similarity": -0.361038, "FDA_Category_D_and_X_Weighted_Contribution": -0.373543, "FDA_Category_D_and_X_Top_Rank": -0.0908884, "Placenta_Crossing_L1000_Similarity": -0.328458, "Placenta_Crossing_Structural_Similarity": -0.843703, "Placenta_Crossing_Weighted_Contribution": -0.907191, "Placenta_Crossing_Top_Rank": -0.0901675, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(P(=O)(O)O)P(=O)(O)O", "InChI_key": "MBKDYNNUVRNNRF-UHFFFAOYSA-N" } }, "CID:16129704": { "type": "Drug", "properties": { "id": "CID:16129704", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16129704", "label": "bivalirudin", "FDA_Category_D_L1000_Similarity": -0.183286, "FDA_Category_D_Structural_Similarity": 0.57651, "FDA_Category_D_Weighted_Contribution": 0.340706, "FDA_Category_D_Top_Rank": -0.0682871, "FDA_Category_X_L1000_Similarity": -0.748202, "FDA_Category_X_Structural_Similarity": 1.76634, "FDA_Category_X_Weighted_Contribution": 1.37769, "FDA_Category_X_Top_Rank": 0.0130877, "FDA_Category_D_and_X_L1000_Similarity": -0.385211, "FDA_Category_D_and_X_Structural_Similarity": 1.41069, "FDA_Category_D_and_X_Weighted_Contribution": 1.06424, "FDA_Category_D_and_X_Top_Rank": -0.0229617, "Placenta_Crossing_L1000_Similarity": 0.620996, "Placenta_Crossing_Structural_Similarity": 1.58986, "Placenta_Crossing_Weighted_Contribution": 1.83336, "Placenta_Crossing_Top_Rank": -0.0135878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)NC(=O)C5CCCN5C(=O)C(CC6=CC=CC=C6)N", "InChI_key": "OIRCOABEOLEUMC-GEJPAHFPSA-N" } }, "CID:161566": { "type": "Drug", "properties": { "id": "CID:161566", "label": "vanillyl-glycol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/161566", "FDA_Category_D_L1000_Similarity": 0.033245, "FDA_Category_D_Structural_Similarity": -0.769235, "FDA_Category_D_Weighted_Contribution": -0.724639, "FDA_Category_D_Top_Rank": -0.0918831, "FDA_Category_X_L1000_Similarity": -1.18101, "FDA_Category_X_Structural_Similarity": -0.623062, "FDA_Category_X_Weighted_Contribution": -1.06611, "FDA_Category_X_Top_Rank": -0.0913127, "FDA_Category_D_and_X_L1000_Similarity": -0.329992, "FDA_Category_D_and_X_Structural_Similarity": -0.946753, "FDA_Category_D_and_X_Weighted_Contribution": -0.973302, "FDA_Category_D_and_X_Top_Rank": -0.0943617, "Placenta_Crossing_L1000_Similarity": -0.174524, "Placenta_Crossing_Structural_Similarity": -0.955017, "Placenta_Crossing_Weighted_Contribution": -0.927867, "Placenta_Crossing_Top_Rank": -0.0894391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16219259": { "type": "Drug", "properties": { "id": "CID:16219259", "label": "depudecin", "lsm": "LSM-5254", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16219259", "FDA_Category_D_L1000_Similarity": 0.665348, "FDA_Category_D_Structural_Similarity": -0.900647, "FDA_Category_D_Weighted_Contribution": -0.546704, "FDA_Category_D_Top_Rank": -0.0807442, "FDA_Category_X_L1000_Similarity": 0.581261, "FDA_Category_X_Structural_Similarity": -0.761118, "FDA_Category_X_Weighted_Contribution": -0.537984, "FDA_Category_X_Top_Rank": -0.0812765, "FDA_Category_D_and_X_L1000_Similarity": 0.750056, "FDA_Category_D_and_X_Structural_Similarity": -1.12555, "FDA_Category_D_and_X_Weighted_Contribution": -0.697292, "FDA_Category_D_and_X_Top_Rank": -0.0795591, "Placenta_Crossing_L1000_Similarity": 0.0574086, "Placenta_Crossing_Structural_Similarity": -0.0497226, "Placenta_Crossing_Weighted_Contribution": -0.152992, "Placenta_Crossing_Top_Rank": -0.083222, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "DLVJMFOLJOOWFS-JCQOUOGGSA-N" } }, "CID:16219399": { "type": "Drug", "properties": { "id": "CID:16219399", "label": "glycocholic-acid", "lsm": "LSM-3222", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16219399", "FDA_Category_D_L1000_Similarity": 1.58368, "FDA_Category_D_Structural_Similarity": 0.214073, "FDA_Category_D_Weighted_Contribution": 1.05481, "FDA_Category_D_Top_Rank": 0.0103539, "FDA_Category_X_L1000_Similarity": 0.229155, "FDA_Category_X_Structural_Similarity": -0.153215, "FDA_Category_X_Weighted_Contribution": -0.158531, "FDA_Category_X_Top_Rank": -0.0834907, "FDA_Category_D_and_X_L1000_Similarity": 1.43476, "FDA_Category_D_and_X_Structural_Similarity": 0.0872382, "FDA_Category_D_and_X_Weighted_Contribution": 0.742179, "FDA_Category_D_and_X_Top_Rank": -0.0326775, "Placenta_Crossing_L1000_Similarity": 1.38219, "Placenta_Crossing_Structural_Similarity": -0.510857, "Placenta_Crossing_Weighted_Contribution": 0.0408614, "Placenta_Crossing_Top_Rank": -0.0499798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C", "InChI_key": "RFDAIACWWDREDC-RGWSMLPJSA-N" } }, "CID:16363": { "type": "Drug", "properties": { "id": "CID:16363", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16363", "label": "benperidol", "FDA_Category_D_L1000_Similarity": 0.717727, "FDA_Category_D_Structural_Similarity": -0.197554, "FDA_Category_D_Weighted_Contribution": 0.0961892, "FDA_Category_D_Top_Rank": -0.0790445, "FDA_Category_X_L1000_Similarity": 0.18869, "FDA_Category_X_Structural_Similarity": -0.541527, "FDA_Category_X_Weighted_Contribution": -0.518977, "FDA_Category_X_Top_Rank": -0.0860457, "FDA_Category_D_and_X_L1000_Similarity": 0.675998, "FDA_Category_D_and_X_Structural_Similarity": -0.449007, "FDA_Category_D_and_X_Weighted_Contribution": -0.195133, "FDA_Category_D_and_X_Top_Rank": -0.0817691, "Placenta_Crossing_L1000_Similarity": 0.858695, "Placenta_Crossing_Structural_Similarity": -0.762885, "Placenta_Crossing_Weighted_Contribution": -0.415022, "Placenta_Crossing_Top_Rank": -0.0747013, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F", "InChI_key": "FEBOTPHFXYHVPL-UHFFFAOYSA-N" } }, "CID:16395057": { "type": "Drug", "properties": { "id": "CID:16395057", "label": "pinitol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16395057", "FDA_Category_D_L1000_Similarity": 0.983431, "FDA_Category_D_Structural_Similarity": -0.232907, "FDA_Category_D_Weighted_Contribution": 0.213957, "FDA_Category_D_Top_Rank": -0.0661794, "FDA_Category_X_L1000_Similarity": 1.05518, "FDA_Category_X_Structural_Similarity": -0.542239, "FDA_Category_X_Weighted_Contribution": -0.135634, "FDA_Category_X_Top_Rank": -0.0696626, "FDA_Category_D_and_X_L1000_Similarity": 1.16817, "FDA_Category_D_and_X_Structural_Similarity": -0.477452, "FDA_Category_D_and_X_Weighted_Contribution": 0.0285426, "FDA_Category_D_and_X_Top_Rank": -0.0574729, "Placenta_Crossing_L1000_Similarity": 0.987262, "Placenta_Crossing_Structural_Similarity": -0.359377, "Placenta_Crossing_Weighted_Contribution": -0.00498017, "Placenta_Crossing_Top_Rank": -0.0708817, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16667695": { "type": "Drug", "properties": { "id": "CID:16667695", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16667695", "label": "selamectin", "FDA_Category_D_L1000_Similarity": -0.902233, "FDA_Category_D_Structural_Similarity": -0.314118, "FDA_Category_D_Weighted_Contribution": -0.789422, "FDA_Category_D_Top_Rank": -0.0916238, "FDA_Category_X_L1000_Similarity": -0.127399, "FDA_Category_X_Structural_Similarity": 0.0120414, "FDA_Category_X_Weighted_Contribution": -0.170859, "FDA_Category_X_Top_Rank": -0.0794909, "FDA_Category_D_and_X_L1000_Similarity": -0.816432, "FDA_Category_D_and_X_Structural_Similarity": -0.242822, "FDA_Category_D_and_X_Weighted_Contribution": -0.694041, "FDA_Category_D_and_X_Top_Rank": -0.0908523, "Placenta_Crossing_L1000_Similarity": -0.856956, "Placenta_Crossing_Structural_Similarity": 0.130177, "Placenta_Crossing_Weighted_Contribution": -0.396472, "Placenta_Crossing_Top_Rank": -0.0793135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7", "InChI_key": "AFJYYKSVHJGXSN-XUCDQRGXSA-N" } }, "CID:16667713": { "type": "Drug", "properties": { "id": "CID:16667713", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16667713", "label": "Tilmicosin", "FDA_Category_D_L1000_Similarity": -0.319072, "FDA_Category_D_Structural_Similarity": 0.0856418, "FDA_Category_D_Weighted_Contribution": -0.204674, "FDA_Category_D_Top_Rank": -0.0829475, "FDA_Category_X_L1000_Similarity": 0.0474606, "FDA_Category_X_Structural_Similarity": 0.526842, "FDA_Category_X_Weighted_Contribution": 0.4357, "FDA_Category_X_Top_Rank": -0.060818, "FDA_Category_D_and_X_L1000_Similarity": -0.260628, "FDA_Category_D_and_X_Structural_Similarity": 0.352257, "FDA_Category_D_and_X_Weighted_Contribution": 0.0554668, "FDA_Category_D_and_X_Top_Rank": -0.078251, "Placenta_Crossing_L1000_Similarity": 0.454115, "Placenta_Crossing_Structural_Similarity": 0.282236, "Placenta_Crossing_Weighted_Contribution": 0.355762, "Placenta_Crossing_Top_Rank": -0.0754789, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16720766": { "type": "Drug", "properties": { "id": "CID:16720766", "label": "pevonedistat", "lsm": "LSM-6263", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16720766", "FDA_Category_D_L1000_Similarity": 0.713351, "FDA_Category_D_Structural_Similarity": 1.29825, "FDA_Category_D_Weighted_Contribution": 1.68083, "FDA_Category_D_Top_Rank": -0.0341128, "FDA_Category_X_L1000_Similarity": -0.587181, "FDA_Category_X_Structural_Similarity": -0.161161, "FDA_Category_X_Weighted_Contribution": -0.525468, "FDA_Category_X_Top_Rank": -0.0836739, "FDA_Category_D_and_X_L1000_Similarity": 0.436598, "FDA_Category_D_and_X_Structural_Similarity": 0.943478, "FDA_Category_D_and_X_Weighted_Contribution": 1.05725, "FDA_Category_D_and_X_Top_Rank": -0.0560943, "Placenta_Crossing_L1000_Similarity": -0.430972, "Placenta_Crossing_Structural_Similarity": 0.0511628, "Placenta_Crossing_Weighted_Contribution": -0.281535, "Placenta_Crossing_Top_Rank": -0.0811798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC=CC=C2C1NC3=C4C=CN(C4=NC=N3)C5CC(C(C5)O)COS(=O)(=O)N", "InChI_key": "MPUQHZXIXSTTDU-QXGSTGNESA-N" } }, "CID:16758824": { "type": "Drug", "properties": { "id": "CID:16758824", "label": "N-benzylnaltrindole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16758824", "FDA_Category_D_L1000_Similarity": -0.955717, "FDA_Category_X_L1000_Similarity": 2.25237, "FDA_Category_D_and_X_L1000_Similarity": -0.139838, "Placenta_Crossing_L1000_Similarity": -0.981715, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16759160": { "type": "Drug", "properties": { "id": "CID:16759160", "label": "az-10417808", "lsm": "LSM-2796", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16759160", "FDA_Category_D_L1000_Similarity": 0.569274, "FDA_Category_D_Structural_Similarity": -0.386168, "FDA_Category_D_Weighted_Contribution": -0.161355, "FDA_Category_D_Top_Rank": -0.0834929, "FDA_Category_X_L1000_Similarity": 0.654313, "FDA_Category_X_Structural_Similarity": -0.357659, "FDA_Category_X_Weighted_Contribution": -0.150728, "FDA_Category_X_Top_Rank": -0.0801349, "FDA_Category_D_and_X_L1000_Similarity": 0.689431, "FDA_Category_D_and_X_Structural_Similarity": -0.499498, "FDA_Category_D_and_X_Weighted_Contribution": -0.232452, "FDA_Category_D_and_X_Top_Rank": -0.08153, "Placenta_Crossing_L1000_Similarity": 0.66254, "Placenta_Crossing_Structural_Similarity": -0.568129, "Placenta_Crossing_Weighted_Contribution": -0.336268, "Placenta_Crossing_Top_Rank": -0.0797759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCNC(=O)C1=CC(=CC2=C1NC(=NC2=O)NC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]", "InChI_key": "VUBILPOZTRGZJK-UHFFFAOYSA-N" } }, "CID:16759997": { "type": "Drug", "properties": { "id": "CID:16759997", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16759997", "label": "cyanopindolol", "FDA_Category_D_L1000_Similarity": 0.645631, "FDA_Category_D_Structural_Similarity": 0.298109, "FDA_Category_D_Weighted_Contribution": 0.554667, "FDA_Category_D_Top_Rank": -0.0772534, "FDA_Category_X_L1000_Similarity": 0.91505, "FDA_Category_X_Structural_Similarity": 1.14181, "FDA_Category_X_Weighted_Contribution": 1.61393, "FDA_Category_X_Top_Rank": -0.0334471, "FDA_Category_D_and_X_L1000_Similarity": 0.834425, "FDA_Category_D_and_X_Structural_Similarity": 0.852727, "FDA_Category_D_and_X_Weighted_Contribution": 1.19888, "FDA_Category_D_and_X_Top_Rank": -0.0611624, "Placenta_Crossing_L1000_Similarity": 0.802549, "Placenta_Crossing_Structural_Similarity": 0.464202, "Placenta_Crossing_Weighted_Contribution": 0.727162, "Placenta_Crossing_Top_Rank": -0.0705722, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O", "InChI_key": "QXIUMMLTJVHILT-LBPRGKRZSA-N" } }, "CID:16760037": { "type": "Drug", "properties": { "id": "CID:16760037", "label": "calyculin", "lsm": "LSM-1584", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760037", "FDA_Category_D_L1000_Similarity": -1.90603, "FDA_Category_D_Structural_Similarity": 0.718622, "FDA_Category_D_Weighted_Contribution": -0.456534, "FDA_Category_D_Top_Rank": -0.063447, "FDA_Category_X_L1000_Similarity": -0.671529, "FDA_Category_X_Structural_Similarity": 1.42206, "FDA_Category_X_Weighted_Contribution": 1.02902, "FDA_Category_X_Top_Rank": -0.0135502, "FDA_Category_D_and_X_L1000_Similarity": -1.84695, "FDA_Category_D_and_X_Structural_Similarity": 1.33772, "FDA_Category_D_and_X_Weighted_Contribution": 0.146818, "FDA_Category_D_and_X_Top_Rank": -0.0277897, "Placenta_Crossing_L1000_Similarity": -0.368185, "Placenta_Crossing_Structural_Similarity": 1.14956, "Placenta_Crossing_Weighted_Contribution": 0.824331, "Placenta_Crossing_Top_Rank": -0.0427329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O", "InChI_key": "FKAWLXNLHHIHLA-OQLQHIBWSA-N" } }, "CID:16760391": { "type": "Drug", "properties": { "id": "CID:16760391", "label": "vama-37", "lsm": "LSM-3124", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760391", "FDA_Category_D_L1000_Similarity": -1.36359, "FDA_Category_D_Structural_Similarity": 0.319856, "FDA_Category_D_Weighted_Contribution": -0.521338, "FDA_Category_D_Top_Rank": -0.0766447, "FDA_Category_X_L1000_Similarity": -0.102936, "FDA_Category_X_Structural_Similarity": 2.19048, "FDA_Category_X_Weighted_Contribution": 2.20779, "FDA_Category_X_Top_Rank": 0.0657604, "FDA_Category_D_and_X_L1000_Similarity": -1.20669, "FDA_Category_D_and_X_Structural_Similarity": 1.43585, "FDA_Category_D_and_X_Weighted_Contribution": 0.604291, "FDA_Category_D_and_X_Top_Rank": -0.0213669, "Placenta_Crossing_L1000_Similarity": -1.69376, "Placenta_Crossing_Structural_Similarity": 0.0290364, "Placenta_Crossing_Weighted_Contribution": -0.789877, "Placenta_Crossing_Top_Rank": -0.0817163, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)O", "InChI_key": "FALILNHGILFDLC-UHFFFAOYSA-N" } }, "CID:1683": { "type": "Drug", "properties": { "id": "CID:1683", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1683", "label": "bemesetron", "FDA_Category_D_L1000_Similarity": 0.764877, "FDA_Category_D_Structural_Similarity": 4.26716, "FDA_Category_D_Weighted_Contribution": 3.90443, "FDA_Category_D_Top_Rank": 0.694419, "FDA_Category_X_L1000_Similarity": 1.59647, "FDA_Category_X_Structural_Similarity": 0.348539, "FDA_Category_X_Weighted_Contribution": 1.09879, "FDA_Category_X_Top_Rank": -0.0398154, "FDA_Category_D_and_X_L1000_Similarity": 1.14415, "FDA_Category_D_and_X_Structural_Similarity": 3.57498, "FDA_Category_D_and_X_Weighted_Contribution": 3.59676, "FDA_Category_D_and_X_Top_Rank": 0.438639, "Placenta_Crossing_L1000_Similarity": 1.12242, "Placenta_Crossing_Structural_Similarity": 1.69313, "Placenta_Crossing_Weighted_Contribution": 2.19561, "Placenta_Crossing_Top_Rank": -0.00180601, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl", "InChI_key": "MNJNPLVXBISNSX-UHFFFAOYSA-N" } }, "CID:168868": { "type": "Drug", "properties": { "id": "CID:168868", "label": "methyllidocaine", "lsm": "LSM-3339", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/168868", "FDA_Category_D_L1000_Similarity": 0.860855, "FDA_Category_D_Structural_Similarity": 0.273618, "FDA_Category_D_Weighted_Contribution": 0.661951, "FDA_Category_D_Top_Rank": -0.0732546, "FDA_Category_X_L1000_Similarity": 0.116473, "FDA_Category_X_Structural_Similarity": 1.05626, "FDA_Category_X_Weighted_Contribution": 1.06141, "FDA_Category_X_Top_Rank": -0.0378149, "FDA_Category_D_and_X_L1000_Similarity": 0.777436, "FDA_Category_D_and_X_Structural_Similarity": 0.78713, "FDA_Category_D_and_X_Weighted_Contribution": 1.0944, "FDA_Category_D_and_X_Top_Rank": -0.0638229, "Placenta_Crossing_L1000_Similarity": 0.601605, "Placenta_Crossing_Structural_Similarity": 0.349441, "Placenta_Crossing_Weighted_Contribution": 0.500611, "Placenta_Crossing_Top_Rank": -0.0739021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](C)(CC)CC(=O)NC1=C(C=CC=C1C)C", "InChI_key": "HFRFLLYLVAKRMZ-UHFFFAOYSA-O" } }, "CID:17142": { "type": "Drug", "properties": { "id": "CID:17142", "label": "teroxirone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17142", "FDA_Category_D_L1000_Similarity": 1.01537, "FDA_Category_D_Structural_Similarity": -0.457025, "FDA_Category_D_Weighted_Contribution": 0.0146693, "FDA_Category_D_Top_Rank": -0.0644364, "FDA_Category_X_L1000_Similarity": -0.554844, "FDA_Category_X_Structural_Similarity": -0.154073, "FDA_Category_X_Weighted_Contribution": -0.506256, "FDA_Category_X_Top_Rank": -0.0835062, "FDA_Category_D_and_X_L1000_Similarity": 0.706776, "FDA_Category_D_and_X_Structural_Similarity": -0.445884, "FDA_Category_D_and_X_Weighted_Contribution": -0.177271, "FDA_Category_D_and_X_Top_Rank": -0.0810353, "Placenta_Crossing_L1000_Similarity": 0.500529, "Placenta_Crossing_Structural_Similarity": 0.172904, "Placenta_Crossing_Weighted_Contribution": 0.269941, "Placenta_Crossing_Top_Rank": -0.0784553, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:172997": { "type": "Drug", "properties": { "id": "CID:172997", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID172997", "label": "lixivaptan", "FDA_Category_D_L1000_Similarity": -2.00427, "FDA_Category_D_Structural_Similarity": 1.4653, "FDA_Category_D_Weighted_Contribution": 0.163299, "FDA_Category_D_Top_Rank": -0.0207447, "FDA_Category_X_L1000_Similarity": 0.239049, "FDA_Category_X_Structural_Similarity": -0.0832293, "FDA_Category_X_Weighted_Contribution": -0.0874955, "FDA_Category_X_Top_Rank": -0.0818327, "FDA_Category_D_and_X_L1000_Similarity": -1.65512, "FDA_Category_D_and_X_Structural_Similarity": 1.11812, "FDA_Category_D_and_X_Weighted_Contribution": 0.0406163, "FDA_Category_D_and_X_Top_Rank": -0.0446911, "Placenta_Crossing_L1000_Similarity": -1.34455, "Placenta_Crossing_Structural_Similarity": -0.340504, "Placenta_Crossing_Weighted_Contribution": -0.914865, "Placenta_Crossing_Top_Rank": -0.0880102, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl", "InChI_key": "PPHTXRNHTVLQED-UHFFFAOYSA-N" } }, "CID:174174": { "type": "Drug", "properties": { "id": "CID:174174", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID174174", "label": "atropine", "FDA_Category_D_L1000_Similarity": 0.798436, "FDA_Category_D_Structural_Similarity": 1.68777, "FDA_Category_D_Weighted_Contribution": 2.14017, "FDA_Category_D_Top_Rank": 0.00380256, "FDA_Category_X_L1000_Similarity": -0.378364, "FDA_Category_X_Structural_Similarity": 0.218551, "FDA_Category_X_Weighted_Contribution": -0.0943614, "FDA_Category_X_Top_Rank": -0.0726024, "FDA_Category_D_and_X_L1000_Similarity": 0.573359, "FDA_Category_D_and_X_Structural_Similarity": 1.45753, "FDA_Category_D_and_X_Weighted_Contribution": 1.68609, "FDA_Category_D_and_X_Top_Rank": -0.0193429, "Placenta_Crossing_L1000_Similarity": 0.522848, "Placenta_Crossing_Structural_Similarity": 0.0364299, "Placenta_Crossing_Weighted_Contribution": 0.147262, "Placenta_Crossing_Top_Rank": -0.0814943, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)c3ccccc3", "InChI_key": "RKUNBYITZUJHSG-SPUOUPEWSA-N" } }, "CID:176157": { "type": "Drug", "properties": { "id": "CID:176157", "label": "nbi-27914", "lsm": "LSM-3360", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/176157", "FDA_Category_D_L1000_Similarity": 1.27245, "FDA_Category_D_Structural_Similarity": 1.28871, "FDA_Category_D_Weighted_Contribution": 2.01608, "FDA_Category_D_Top_Rank": -0.0353351, "FDA_Category_X_L1000_Similarity": -0.0234036, "FDA_Category_X_Structural_Similarity": -0.600064, "FDA_Category_X_Weighted_Contribution": -0.650823, "FDA_Category_X_Top_Rank": -0.087744, "FDA_Category_D_and_X_L1000_Similarity": 1.08976, "FDA_Category_D_and_X_Structural_Similarity": 0.699077, "FDA_Category_D_and_X_Weighted_Contribution": 1.18761, "FDA_Category_D_and_X_Top_Rank": -0.0633621, "Placenta_Crossing_L1000_Similarity": 0.409481, "Placenta_Crossing_Structural_Similarity": 0.37143, "Placenta_Crossing_Weighted_Contribution": 0.423228, "Placenta_Crossing_Top_Rank": -0.0731878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C", "InChI_key": "KNADXBVKFAUMCR-UHFFFAOYSA-N" } }, "CID:176407": { "type": "Drug", "properties": { "id": "CID:176407", "label": "4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol", "lsm": "LSM-2444", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/176407", "FDA_Category_D_L1000_Similarity": -1.62784, "FDA_Category_D_Structural_Similarity": -0.604191, "FDA_Category_D_Weighted_Contribution": -1.21085, "FDA_Category_D_Top_Rank": -0.0950846, "FDA_Category_X_L1000_Similarity": -0.125411, "FDA_Category_X_Structural_Similarity": -0.571516, "FDA_Category_X_Weighted_Contribution": -0.668223, "FDA_Category_X_Top_Rank": -0.0883697, "FDA_Category_D_and_X_L1000_Similarity": -1.44132, "FDA_Category_D_and_X_Structural_Similarity": -0.787942, "FDA_Category_D_and_X_Weighted_Contribution": -1.21964, "FDA_Category_D_and_X_Top_Rank": -0.0958926, "Placenta_Crossing_L1000_Similarity": -0.896643, "Placenta_Crossing_Structural_Similarity": -0.0722062, "Placenta_Crossing_Weighted_Contribution": -0.572279, "Placenta_Crossing_Top_Rank": -0.0836677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=COC(=C1)C2=NN3C(=NC(=NC3=N2)NCCC4=CC=C(C=C4)O)N", "InChI_key": "PWTBZOIUWZOPFT-UHFFFAOYSA-N" } }, "CID:176873": { "type": "Drug", "properties": { "id": "CID:176873", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID176873", "label": "cilengitide", "FDA_Category_D_L1000_Similarity": 0.420075, "FDA_Category_D_Structural_Similarity": -0.723414, "FDA_Category_D_Weighted_Contribution": -0.52038, "FDA_Category_D_Top_Rank": -0.086825, "FDA_Category_X_L1000_Similarity": 1.20063, "FDA_Category_X_Structural_Similarity": -0.590633, "FDA_Category_X_Weighted_Contribution": -0.112519, "FDA_Category_X_Top_Rank": -0.0641968, "FDA_Category_D_and_X_L1000_Similarity": 0.726721, "FDA_Category_D_and_X_Structural_Similarity": -0.892886, "FDA_Category_D_and_X_Weighted_Contribution": -0.53591, "FDA_Category_D_and_X_Top_Rank": -0.0803749, "Placenta_Crossing_L1000_Similarity": 0.727135, "Placenta_Crossing_Structural_Similarity": 0.109492, "Placenta_Crossing_Weighted_Contribution": 0.321349, "Placenta_Crossing_Top_Rank": -0.0782341, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N", "InChI_key": "AMLYAMJWYAIXIA-VWNVYAMZSA-N" } }, "CID:177236": { "type": "Drug", "properties": { "id": "CID:177236", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID177236", "label": "darusentan", "FDA_Category_D_L1000_Similarity": -0.37873, "FDA_Category_D_Structural_Similarity": -0.749901, "FDA_Category_D_Weighted_Contribution": -0.875759, "FDA_Category_D_Top_Rank": -0.0946143, "FDA_Category_X_L1000_Similarity": -1.05925, "FDA_Category_X_Structural_Similarity": -0.46267, "FDA_Category_X_Weighted_Contribution": -0.925585, "FDA_Category_X_Top_Rank": -0.0892585, "FDA_Category_D_and_X_L1000_Similarity": -0.648143, "FDA_Category_D_and_X_Structural_Similarity": -0.844862, "FDA_Category_D_and_X_Weighted_Contribution": -1.01763, "FDA_Category_D_and_X_Top_Rank": -0.0955226, "Placenta_Crossing_L1000_Similarity": -0.433431, "Placenta_Crossing_Structural_Similarity": -0.161717, "Placenta_Crossing_Weighted_Contribution": -0.458862, "Placenta_Crossing_Top_Rank": -0.0853689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC", "InChI_key": "FEJVSJIALLTFRP-LJQANCHMSA-N" } }, "CID:1780": { "type": "Drug", "properties": { "id": "CID:1780", "label": "eicosatetraynoic-acid", "lsm": "LSM-5239", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1780", "FDA_Category_D_L1000_Similarity": 1.57334, "FDA_Category_D_Structural_Similarity": 1.17073, "FDA_Category_D_Weighted_Contribution": 2.07587, "FDA_Category_D_Top_Rank": 0.00793928, "FDA_Category_X_L1000_Similarity": 0.984044, "FDA_Category_X_Structural_Similarity": -0.569083, "FDA_Category_X_Weighted_Contribution": -0.194101, "FDA_Category_X_Top_Rank": -0.0718761, "FDA_Category_D_and_X_L1000_Similarity": 1.65507, "FDA_Category_D_and_X_Structural_Similarity": 0.622152, "FDA_Category_D_and_X_Weighted_Contribution": 1.44418, "FDA_Category_D_and_X_Top_Rank": 0.00154407, "Placenta_Crossing_L1000_Similarity": 1.26805, "Placenta_Crossing_Structural_Similarity": -0.796373, "Placenta_Crossing_Weighted_Contribution": -0.269185, "Placenta_Crossing_Top_Rank": -0.0578871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC#CCC#CCC#CCC#CCCCC(=O)O", "InChI_key": "MGLDCXPLYOWQRP-UHFFFAOYSA-N" } }, "CID:1794427": { "type": "Drug", "properties": { "id": "CID:1794427", "label": "chlorogenic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1794427", "FDA_Category_D_L1000_Similarity": 0.84321, "FDA_Category_D_Structural_Similarity": 0.890909, "FDA_Category_D_Weighted_Contribution": 1.32097, "FDA_Category_D_Top_Rank": -0.0559857, "FDA_Category_X_L1000_Similarity": 0.532481, "FDA_Category_X_Structural_Similarity": 2.31862, "FDA_Category_X_Weighted_Contribution": 2.65968, "FDA_Category_X_Top_Rank": 0.079717, "FDA_Category_D_and_X_L1000_Similarity": 0.88857, "FDA_Category_D_and_X_Structural_Similarity": 1.95825, "FDA_Category_D_and_X_Weighted_Contribution": 2.35994, "FDA_Category_D_and_X_Top_Rank": 0.0298697, "Placenta_Crossing_L1000_Similarity": 0.801393, "Placenta_Crossing_Structural_Similarity": 0.693419, "Placenta_Crossing_Weighted_Contribution": 0.971359, "Placenta_Crossing_Top_Rank": -0.0632562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O", "InChI_key": "CWVRJTMFETXNAD-JUHZACGLSA-N" } }, "CID:18087": { "type": "Drug", "properties": { "id": "CID:18087", "label": "clopidol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/18087", "FDA_Category_D_L1000_Similarity": -0.778574, "FDA_Category_D_Structural_Similarity": -0.693721, "FDA_Category_D_Weighted_Contribution": -0.987148, "FDA_Category_D_Top_Rank": -0.0958034, "FDA_Category_X_L1000_Similarity": -1.34023, "FDA_Category_X_Structural_Similarity": -0.535387, "FDA_Category_X_Weighted_Contribution": -1.06127, "FDA_Category_X_Top_Rank": -0.0902896, "FDA_Category_D_and_X_L1000_Similarity": -1.07815, "FDA_Category_D_and_X_Structural_Similarity": -0.839508, "FDA_Category_D_and_X_Weighted_Contribution": -1.14486, "FDA_Category_D_and_X_Top_Rank": -0.0961443, "Placenta_Crossing_L1000_Similarity": -0.497671, "Placenta_Crossing_Structural_Similarity": -1.06227, "Placenta_Crossing_Weighted_Contribution": -1.0857, "Placenta_Crossing_Top_Rank": -0.0907782, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:182585": { "type": "Drug", "properties": { "id": "CID:182585", "label": "mdl-72832", "lsm": "LSM-1352", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/182585", "FDA_Category_D_L1000_Similarity": -0.164787, "FDA_Category_D_Structural_Similarity": -0.663747, "FDA_Category_D_Weighted_Contribution": -0.732082, "FDA_Category_D_Top_Rank": -0.0934578, "FDA_Category_X_L1000_Similarity": 0.525265, "FDA_Category_X_Structural_Similarity": -0.515963, "FDA_Category_X_Weighted_Contribution": -0.353639, "FDA_Category_X_Top_Rank": -0.0821802, "FDA_Category_D_and_X_L1000_Similarity": 0.0174675, "FDA_Category_D_and_X_Structural_Similarity": -0.805236, "FDA_Category_D_and_X_Weighted_Contribution": -0.759861, "FDA_Category_D_and_X_Top_Rank": -0.0920434, "Placenta_Crossing_L1000_Similarity": 0.421052, "Placenta_Crossing_Structural_Similarity": -0.731406, "Placenta_Crossing_Weighted_Contribution": -0.56522, "Placenta_Crossing_Top_Rank": -0.0841882, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCNCC3COC4=CC=CC=C4O3", "InChI_key": "HCVRCHQFYYZPHT-UHFFFAOYSA-N" } }, "CID:18283": { "type": "Drug", "properties": { "id": "CID:18283", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/18283", "label": "stavudine", "ref": "LSM-5983", "FDA_Category_D_L1000_Similarity": 0.798352, "FDA_Category_D_Structural_Similarity": 0.677531, "FDA_Category_D_Weighted_Contribution": 1.05872, "FDA_Category_D_Top_Rank": -0.0649763, "FDA_Category_X_L1000_Similarity": -0.419424, "FDA_Category_X_Structural_Similarity": -0.0382584, "FDA_Category_X_Weighted_Contribution": -0.349257, "FDA_Category_X_Top_Rank": -0.0806751, "FDA_Category_D_and_X_L1000_Similarity": 0.560818, "FDA_Category_D_and_X_Structural_Similarity": 0.517121, "FDA_Category_D_and_X_Weighted_Contribution": 0.679291, "FDA_Category_D_and_X_Top_Rank": -0.0733388, "Placenta_Crossing_L1000_Similarity": 0.16782, "Placenta_Crossing_Structural_Similarity": 1.93952, "Placenta_Crossing_Weighted_Contribution": 1.95701, "Placenta_Crossing_Top_Rank": 0.0244579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO", "InChI_key": "XNKLLVCARDGLGL-JGVFFNPUSA-N" } }, "CID:18496254": { "type": "Drug", "properties": { "id": "CID:18496254", "label": "lactotensin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/18496254", "FDA_Category_D_L1000_Similarity": 0.212731, "FDA_Category_D_Structural_Similarity": 0.0600908, "FDA_Category_D_Weighted_Contribution": 0.0595492, "FDA_Category_D_Top_Rank": -0.0836989, "FDA_Category_X_L1000_Similarity": -0.837693, "FDA_Category_X_Structural_Similarity": 0.431966, "FDA_Category_X_Weighted_Contribution": -0.110035, "FDA_Category_X_Top_Rank": -0.0646124, "FDA_Category_D_and_X_L1000_Similarity": -0.0710114, "FDA_Category_D_and_X_Structural_Similarity": 0.280782, "FDA_Category_D_and_X_Weighted_Contribution": 0.0882949, "FDA_Category_D_and_X_Top_Rank": -0.0798625, "Placenta_Crossing_L1000_Similarity": -0.586741, "Placenta_Crossing_Structural_Similarity": 0.632466, "Placenta_Crossing_Weighted_Contribution": 0.179435, "Placenta_Crossing_Top_Rank": -0.0653493, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:187": { "type": "Drug", "properties": { "id": "CID:187", "label": "acetylcholine", "lsm": "LSM-5888", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/187", "IDG_ID": "65", "FDA_Category_D_L1000_Similarity": 0.755201, "FDA_Category_D_Structural_Similarity": -0.111396, "FDA_Category_D_Weighted_Contribution": 0.201933, "FDA_Category_D_Top_Rank": -0.0776326, "FDA_Category_X_L1000_Similarity": -0.178076, "FDA_Category_X_Structural_Similarity": 0.358396, "FDA_Category_X_Weighted_Contribution": 0.142201, "FDA_Category_X_Top_Rank": -0.0673789, "FDA_Category_D_and_X_L1000_Similarity": 0.596914, "FDA_Category_D_and_X_Structural_Similarity": 0.104972, "FDA_Category_D_and_X_Weighted_Contribution": 0.280343, "FDA_Category_D_and_X_Top_Rank": -0.0835196, "Placenta_Crossing_L1000_Similarity": 0.455873, "Placenta_Crossing_Structural_Similarity": -0.188182, "Placenta_Crossing_Weighted_Contribution": -0.0955824, "Placenta_Crossing_Top_Rank": -0.0836677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC[N+](C)(C)C", "InChI_key": "OIPILFWXSMYKGL-UHFFFAOYSA-N" } }, "CID:187079": { "type": "Drug", "properties": { "id": "CID:187079", "label": "EMD-53998", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/187079", "FDA_Category_D_L1000_Similarity": 0.737282, "FDA_Category_D_Structural_Similarity": 0.608873, "FDA_Category_D_Weighted_Contribution": 0.94492, "FDA_Category_D_Top_Rank": -0.0672194, "FDA_Category_X_L1000_Similarity": -0.061291, "FDA_Category_X_Structural_Similarity": 0.303519, "FDA_Category_X_Weighted_Contribution": 0.145814, "FDA_Category_X_Top_Rank": -0.0697068, "FDA_Category_D_and_X_L1000_Similarity": 0.616938, "FDA_Category_D_and_X_Structural_Similarity": 0.647048, "FDA_Category_D_and_X_Weighted_Contribution": 0.849159, "FDA_Category_D_and_X_Top_Rank": -0.0691279, "Placenta_Crossing_L1000_Similarity": 0.13839, "Placenta_Crossing_Structural_Similarity": 0.618518, "Placenta_Crossing_Weighted_Contribution": 0.535838, "Placenta_Crossing_Top_Rank": -0.0660376, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:18755269": { "type": "Drug", "properties": { "id": "CID:18755269", "label": "sdz-wag-994", "lsm": "LSM-1448", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/18755269", "FDA_Category_D_L1000_Similarity": 1.55587, "FDA_Category_D_Structural_Similarity": 1.13262, "FDA_Category_D_Weighted_Contribution": 2.02626, "FDA_Category_D_Top_Rank": 0.00380256, "FDA_Category_X_L1000_Similarity": -1.91337, "FDA_Category_X_Structural_Similarity": -0.435792, "FDA_Category_X_Weighted_Contribution": -1.17, "FDA_Category_X_Top_Rank": -0.0888041, "FDA_Category_D_and_X_L1000_Similarity": 0.760131, "FDA_Category_D_and_X_Structural_Similarity": 0.66382, "FDA_Category_D_and_X_Weighted_Contribution": 0.952289, "FDA_Category_D_and_X_Top_Rank": -0.0685989, "Placenta_Crossing_L1000_Similarity": 0.315439, "Placenta_Crossing_Structural_Similarity": 1.38525, "Placenta_Crossing_Weighted_Contribution": 1.45203, "Placenta_Crossing_Top_Rank": -0.0278212, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(C(OC1N2C=NC3=C(N=CN=C32)NC4CCCCC4)CO)O", "InChI_key": "JAKAFSGZUXCHLF-UHFFFAOYSA-N" } }, "CID:1893730": { "type": "Drug", "properties": { "id": "CID:1893730", "label": "xl-147", "lsm": "LSM-5998", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1893730", "FDA_Category_D_L1000_Similarity": 0.463376, "FDA_Category_X_L1000_Similarity": 0.736587, "FDA_Category_D_and_X_L1000_Similarity": 0.623118, "Placenta_Crossing_L1000_Similarity": -0.232283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4", "InChI_key": "MQMKRQLTIWPEDM-UHFFFAOYSA-N" } }, "CID:1894361": { "type": "Drug", "properties": { "id": "CID:1894361", "label": "amn-082", "lsm": "LSM-2507", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1894361", "FDA_Category_D_L1000_Similarity": -0.278786, "FDA_Category_D_Structural_Similarity": -0.846395, "FDA_Category_D_Weighted_Contribution": -0.900248, "FDA_Category_D_Top_Rank": -0.0941141, "FDA_Category_X_L1000_Similarity": 0.575434, "FDA_Category_X_Structural_Similarity": 0.138578, "FDA_Category_X_Weighted_Contribution": 0.304292, "FDA_Category_X_Top_Rank": -0.0758059, "FDA_Category_D_and_X_L1000_Similarity": -0.0655669, "FDA_Category_D_and_X_Structural_Similarity": -0.597019, "FDA_Category_D_and_X_Weighted_Contribution": -0.646321, "FDA_Category_D_and_X_Top_Rank": -0.0927438, "Placenta_Crossing_L1000_Similarity": 0.135493, "Placenta_Crossing_Structural_Similarity": -0.487599, "Placenta_Crossing_Weighted_Contribution": -0.488462, "Placenta_Crossing_Top_Rank": -0.0872142, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4", "InChI_key": "DTZDSNQYNPNCPK-UHFFFAOYSA-N" } }, "CID:192197": { "type": "Drug", "properties": { "id": "CID:192197", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID192197", "label": "hexestrol", "FDA_Category_D_L1000_Similarity": -0.936452, "FDA_Category_D_Structural_Similarity": -0.313524, "FDA_Category_D_Weighted_Contribution": -0.802709, "FDA_Category_D_Top_Rank": -0.0916123, "FDA_Category_X_L1000_Similarity": 1.54637, "FDA_Category_X_Structural_Similarity": -0.287217, "FDA_Category_X_Weighted_Contribution": 0.367554, "FDA_Category_X_Top_Rank": -0.0443059, "FDA_Category_D_and_X_L1000_Similarity": -0.337633, "FDA_Category_D_and_X_Structural_Similarity": -0.403829, "FDA_Category_D_and_X_Weighted_Contribution": -0.616626, "FDA_Category_D_and_X_Top_Rank": -0.0929979, "Placenta_Crossing_L1000_Similarity": -0.120721, "Placenta_Crossing_Structural_Similarity": -0.492453, "Placenta_Crossing_Weighted_Contribution": -0.592401, "Placenta_Crossing_Top_Rank": -0.0891188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O", "InChI_key": "PBBGSZCBWVPOOL-HDICACEKSA-N" } }, "CID:1923": { "type": "Drug", "properties": { "id": "CID:1923", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1923", "label": "oxyquinoline", "FDA_Category_D_L1000_Similarity": -1.55822, "FDA_Category_D_Structural_Similarity": 0.166979, "FDA_Category_D_Weighted_Contribution": -0.721592, "FDA_Category_D_Top_Rank": -0.0808657, "FDA_Category_X_L1000_Similarity": -2.4741, "FDA_Category_X_Structural_Similarity": -0.514124, "FDA_Category_X_Weighted_Contribution": -1.35294, "FDA_Category_X_Top_Rank": -0.090028, "FDA_Category_D_and_X_L1000_Similarity": -2.09454, "FDA_Category_D_and_X_Structural_Similarity": -0.144886, "FDA_Category_D_and_X_Weighted_Contribution": -1.07921, "FDA_Category_D_and_X_Top_Rank": -0.0891906, "Placenta_Crossing_L1000_Similarity": -1.53051, "Placenta_Crossing_Structural_Similarity": -0.404007, "Placenta_Crossing_Weighted_Contribution": -1.00995, "Placenta_Crossing_Top_Rank": -0.0887559, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)O)N=CC=C2", "InChI_key": "MCJGNVYPOGVAJF-UHFFFAOYSA-N" } }, "CID:192706": { "type": "Drug", "properties": { "id": "CID:192706", "label": "phenserine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/192706", "FDA_Category_D_L1000_Similarity": -0.280726, "FDA_Category_D_Structural_Similarity": 0.855179, "FDA_Category_D_Weighted_Contribution": 0.570018, "FDA_Category_D_Top_Rank": -0.0584439, "FDA_Category_X_L1000_Similarity": 0.331816, "FDA_Category_X_Structural_Similarity": 0.148597, "FDA_Category_X_Weighted_Contribution": 0.188408, "FDA_Category_X_Top_Rank": -0.075353, "FDA_Category_D_and_X_L1000_Similarity": -0.141229, "FDA_Category_D_and_X_Structural_Similarity": 0.758949, "FDA_Category_D_and_X_Weighted_Contribution": 0.522187, "FDA_Category_D_and_X_Top_Rank": -0.065068, "Placenta_Crossing_L1000_Similarity": 0.14794, "Placenta_Crossing_Structural_Similarity": 0.925549, "Placenta_Crossing_Weighted_Contribution": 0.864733, "Placenta_Crossing_Top_Rank": -0.0535758, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C", "InChI_key": "PBHFNBQPZCRWQP-QUCCMNQESA-N" } }, "CID:19385000": { "type": "Drug", "properties": { "id": "CID:19385000", "label": "l-755507", "lsm": "LSM-1912", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19385000", "FDA_Category_D_L1000_Similarity": 0.394432, "FDA_Category_D_Structural_Similarity": -0.464228, "FDA_Category_D_Weighted_Contribution": -0.319805, "FDA_Category_D_Top_Rank": -0.0872906, "FDA_Category_X_L1000_Similarity": 2.50993, "FDA_Category_X_Structural_Similarity": 0.440819, "FDA_Category_X_Weighted_Contribution": 1.72343, "FDA_Category_X_Top_Rank": 0.16133, "FDA_Category_D_and_X_L1000_Similarity": 1.10223, "FDA_Category_D_and_X_Structural_Similarity": -0.130599, "FDA_Category_D_and_X_Weighted_Contribution": 0.327592, "FDA_Category_D_and_X_Top_Rank": -0.0625506, "Placenta_Crossing_L1000_Similarity": -0.389912, "Placenta_Crossing_Structural_Similarity": 0.749257, "Placenta_Crossing_Weighted_Contribution": 0.395046, "Placenta_Crossing_Top_Rank": -0.0613399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CCNCC(COC3=CC=C(C=C3)O)O", "InChI_key": "NYYJKMXNVNFOFQ-UHFFFAOYSA-N" } }, "CID:193962": { "type": "Drug", "properties": { "id": "CID:193962", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID193962", "label": "etravirine", "FDA_Category_D_L1000_Similarity": -1.27046, "FDA_Category_D_Structural_Similarity": -0.894716, "FDA_Category_D_Weighted_Contribution": -1.25044, "FDA_Category_D_Top_Rank": -0.0965935, "FDA_Category_X_L1000_Similarity": -0.654033, "FDA_Category_X_Structural_Similarity": -0.676054, "FDA_Category_X_Weighted_Contribution": -0.932639, "FDA_Category_X_Top_Rank": -0.0905244, "FDA_Category_D_and_X_L1000_Similarity": -1.29378, "FDA_Category_D_and_X_Structural_Similarity": -1.07494, "FDA_Category_D_and_X_Weighted_Contribution": -1.31164, "FDA_Category_D_and_X_Top_Rank": -0.0965175, "Placenta_Crossing_L1000_Similarity": -2.13668, "Placenta_Crossing_Structural_Similarity": 0.819314, "Placenta_Crossing_Weighted_Contribution": -0.363512, "Placenta_Crossing_Top_Rank": -0.058831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N", "InChI_key": "PYGWGZALEOIKDF-UHFFFAOYSA-N" } }, "CID:19529": { "type": "Drug", "properties": { "id": "CID:19529", "label": "diloxanide furoate", "lsm": "LSM-2223", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19529", "FDA_Category_D_L1000_Similarity": -0.024608, "FDA_Category_D_Structural_Similarity": 0.762274, "FDA_Category_D_Weighted_Contribution": 0.630265, "FDA_Category_D_Top_Rank": -0.0619086, "FDA_Category_X_L1000_Similarity": 1.0129, "FDA_Category_X_Structural_Similarity": 2.84128, "FDA_Category_X_Weighted_Contribution": 3.31284, "FDA_Category_X_Top_Rank": 0.172998, "FDA_Category_D_and_X_L1000_Similarity": 0.286389, "FDA_Category_D_and_X_Structural_Similarity": 2.13817, "FDA_Category_D_and_X_Weighted_Contribution": 2.21059, "FDA_Category_D_and_X_Top_Rank": 0.0534102, "Placenta_Crossing_L1000_Similarity": 0.66706, "Placenta_Crossing_Structural_Similarity": 4.93149, "Placenta_Crossing_Weighted_Contribution": 4.01998, "Placenta_Crossing_Top_Rank": 0.942976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1=CC=C(C=C1)OC(=O)C2=CC=CO2)C(=O)C(Cl)Cl", "InChI_key": "BDYYDXJSHYEDGB-UHFFFAOYSA-N" } }, "CID:1967": { "type": "Drug", "properties": { "id": "CID:1967", "label": "docebenone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1967", "FDA_Category_D_L1000_Similarity": -0.410815, "FDA_Category_D_Structural_Similarity": -0.855022, "FDA_Category_D_Weighted_Contribution": -0.954225, "FDA_Category_D_Top_Rank": -0.0947559, "FDA_Category_X_L1000_Similarity": 0.249578, "FDA_Category_X_Structural_Similarity": -0.489912, "FDA_Category_X_Weighted_Contribution": -0.450325, "FDA_Category_X_Top_Rank": -0.0854573, "FDA_Category_D_and_X_L1000_Similarity": -0.278337, "FDA_Category_D_and_X_Structural_Similarity": -0.942997, "FDA_Category_D_and_X_Weighted_Contribution": -0.953868, "FDA_Category_D_and_X_Top_Rank": -0.0940924, "Placenta_Crossing_L1000_Similarity": -0.477471, "Placenta_Crossing_Structural_Similarity": -0.955571, "Placenta_Crossing_Weighted_Contribution": -1.02, "Placenta_Crossing_Top_Rank": -0.0907006, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:197033": { "type": "Drug", "properties": { "id": "CID:197033", "label": "latrepirdine", "lsm": "LSM-3241", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/197033", "FDA_Category_D_L1000_Similarity": -0.267081, "FDA_Category_D_Structural_Similarity": -0.863191, "FDA_Category_D_Weighted_Contribution": -0.906595, "FDA_Category_D_Top_Rank": -0.0940585, "FDA_Category_X_L1000_Similarity": -0.239681, "FDA_Category_X_Structural_Similarity": -0.472778, "FDA_Category_X_Weighted_Contribution": -0.635966, "FDA_Category_X_Top_Rank": -0.0890024, "FDA_Category_D_and_X_L1000_Similarity": -0.303015, "FDA_Category_D_and_X_Structural_Similarity": -0.940235, "FDA_Category_D_and_X_Weighted_Contribution": -0.960477, "FDA_Category_D_and_X_Top_Rank": -0.0942067, "Placenta_Crossing_L1000_Similarity": -0.40094, "Placenta_Crossing_Structural_Similarity": -0.0805676, "Placenta_Crossing_Weighted_Contribution": -0.379523, "Placenta_Crossing_Top_Rank": -0.083817, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C", "InChI_key": "JNODQFNWMXFMEV-UHFFFAOYSA-N" } }, "CID:197690": { "type": "Drug", "properties": { "id": "CID:197690", "label": "sb-205384", "lsm": "LSM-1392", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/197690", "FDA_Category_D_L1000_Similarity": 0.149291, "FDA_Category_D_Structural_Similarity": -0.63455, "FDA_Category_D_Weighted_Contribution": -0.57463, "FDA_Category_D_Top_Rank": -0.0907611, "FDA_Category_X_L1000_Similarity": -0.566975, "FDA_Category_X_Structural_Similarity": 0.0457766, "FDA_Category_X_Weighted_Contribution": -0.340255, "FDA_Category_X_Top_Rank": -0.078669, "FDA_Category_D_and_X_L1000_Similarity": -0.0434886, "FDA_Category_D_and_X_Structural_Similarity": -0.47895, "FDA_Category_D_and_X_Weighted_Contribution": -0.549496, "FDA_Category_D_and_X_Top_Rank": -0.0925614, "Placenta_Crossing_L1000_Similarity": 0.248023, "Placenta_Crossing_Structural_Similarity": -0.600142, "Placenta_Crossing_Weighted_Contribution": -0.531816, "Placenta_Crossing_Top_Rank": -0.086207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC#CCOC(=O)C1=C(N=C2C(=C1N)C3=C(S2)CC(CC3)O)C", "InChI_key": "JDTZAGLGBRRCJT-UHFFFAOYSA-N" } }, "CID:1979": { "type": "Drug", "properties": { "id": "CID:1979", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1979", "label": "aceclidine", "FDA_Category_D_L1000_Similarity": 0.952935, "FDA_Category_D_Structural_Similarity": -0.600312, "FDA_Category_D_Weighted_Contribution": -0.151858, "FDA_Category_D_Top_Rank": -0.0683925, "FDA_Category_X_L1000_Similarity": 0.856313, "FDA_Category_X_Structural_Similarity": -0.0466539, "FDA_Category_X_Weighted_Contribution": 0.257705, "FDA_Category_X_Top_Rank": -0.0754843, "FDA_Category_D_and_X_L1000_Similarity": 1.0815, "FDA_Category_D_and_X_Structural_Similarity": -0.50165, "FDA_Category_D_and_X_Weighted_Contribution": -0.038745, "FDA_Category_D_and_X_Top_Rank": -0.064089, "Placenta_Crossing_L1000_Similarity": 1.03998, "Placenta_Crossing_Structural_Similarity": -0.945621, "Placenta_Crossing_Weighted_Contribution": -0.487805, "Placenta_Crossing_Top_Rank": -0.0689935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CN2CCC1CC2", "InChI_key": "WRJPSSPFHGNBMG-UHFFFAOYSA-N" } }, "CID:1981": { "type": "Drug", "properties": { "id": "CID:1981", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1981", "label": "acemetacin", "FDA_Category_D_L1000_Similarity": 1.13372, "FDA_Category_D_Structural_Similarity": -0.762227, "FDA_Category_D_Weighted_Contribution": -0.202129, "FDA_Category_D_Top_Rank": -0.0550783, "FDA_Category_X_L1000_Similarity": -0.790805, "FDA_Category_X_Structural_Similarity": -0.366826, "FDA_Category_X_Weighted_Contribution": -0.764612, "FDA_Category_X_Top_Rank": -0.0876507, "FDA_Category_D_and_X_L1000_Similarity": 0.73712, "FDA_Category_D_and_X_Structural_Similarity": -0.802927, "FDA_Category_D_and_X_Weighted_Contribution": -0.461396, "FDA_Category_D_and_X_Top_Rank": -0.0800112, "Placenta_Crossing_L1000_Similarity": 0.485152, "Placenta_Crossing_Structural_Similarity": 0.648213, "Placenta_Crossing_Weighted_Contribution": 0.751522, "Placenta_Crossing_Top_Rank": -0.0648395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O", "InChI_key": "FSQKKOOTNAMONP-UHFFFAOYSA-N" } }, "CID:1989": { "type": "Drug", "properties": { "id": "CID:1989", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1989", "label": "acetohexamide", "FDA_Category_D_L1000_Similarity": 0.440036, "FDA_Category_D_Structural_Similarity": -0.133525, "FDA_Category_D_Weighted_Contribution": 0.00199156, "FDA_Category_D_Top_Rank": -0.0864435, "FDA_Category_X_L1000_Similarity": 0.377718, "FDA_Category_X_Structural_Similarity": -0.634952, "FDA_Category_X_Weighted_Contribution": -0.518015, "FDA_Category_X_Top_Rank": -0.0840516, "FDA_Category_D_and_X_L1000_Similarity": 0.49403, "FDA_Category_D_and_X_Structural_Similarity": -0.448598, "FDA_Category_D_and_X_Weighted_Contribution": -0.282633, "FDA_Category_D_and_X_Top_Rank": -0.0857327, "Placenta_Crossing_L1000_Similarity": 0.61983, "Placenta_Crossing_Structural_Similarity": 0.355047, "Placenta_Crossing_Weighted_Contribution": 0.51594, "Placenta_Crossing_Top_Rank": -0.0737134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2", "InChI_key": "VGZSUPCWNCWDAN-UHFFFAOYSA-N" } }, "CID:1993104": { "type": "Drug", "properties": { "id": "CID:1993104", "label": "ran-07", "lsm": "LSM-4783", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1993104", "FDA_Category_D_L1000_Similarity": 0.619773, "FDA_Category_D_Structural_Similarity": 5.29782, "FDA_Category_D_Weighted_Contribution": 4.17714, "FDA_Category_D_Top_Rank": 1.36927, "FDA_Category_X_L1000_Similarity": -0.975064, "FDA_Category_X_Structural_Similarity": -0.675023, "FDA_Category_X_Weighted_Contribution": -1.03489, "FDA_Category_X_Top_Rank": -0.0912184, "FDA_Category_D_and_X_L1000_Similarity": 0.238147, "FDA_Category_D_and_X_Structural_Similarity": 3.84071, "FDA_Category_D_and_X_Weighted_Contribution": 3.47485, "FDA_Category_D_and_X_Top_Rank": 0.580508, "Placenta_Crossing_L1000_Similarity": 0.276862, "Placenta_Crossing_Structural_Similarity": -1.01456, "Placenta_Crossing_Weighted_Contribution": -0.81928, "Placenta_Crossing_Top_Rank": -0.0859097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)Cl", "InChI_key": "RPGHTMMYAWEOGC-LLVKDONJSA-N" } }, "CID:204": { "type": "Drug", "properties": { "id": "CID:204", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID204", "label": "allantoin", "FDA_Category_D_L1000_Similarity": 0.96325, "FDA_Category_D_Structural_Similarity": -0.585667, "FDA_Category_D_Weighted_Contribution": -0.133107, "FDA_Category_D_Top_Rank": -0.0674204, "FDA_Category_X_L1000_Similarity": -0.330025, "FDA_Category_X_Structural_Similarity": 0.39048, "FDA_Category_X_Weighted_Contribution": 0.0978634, "FDA_Category_X_Top_Rank": -0.0662515, "FDA_Category_D_and_X_L1000_Similarity": 0.730111, "FDA_Category_D_and_X_Structural_Similarity": -0.254151, "FDA_Category_D_and_X_Weighted_Contribution": 0.00783397, "FDA_Category_D_and_X_Top_Rank": -0.0802761, "Placenta_Crossing_L1000_Similarity": 0.740996, "Placenta_Crossing_Structural_Similarity": 0.65836, "Placenta_Crossing_Weighted_Contribution": 0.900793, "Placenta_Crossing_Top_Rank": -0.0644837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1(C(=O)NC(=O)N1)NC(=O)N", "InChI_key": "POJWUDADGALRAB-UHFFFAOYSA-N" } }, "CID:2055": { "type": "Drug", "properties": { "id": "CID:2055", "label": "ag-494", "lsm": "LSM-2755", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2055", "FDA_Category_D_L1000_Similarity": -2.04257, "FDA_Category_D_Structural_Similarity": 0.118079, "FDA_Category_D_Weighted_Contribution": -0.943354, "FDA_Category_D_Top_Rank": -0.0820664, "FDA_Category_X_L1000_Similarity": -1.522, "FDA_Category_X_Structural_Similarity": 0.0158943, "FDA_Category_X_Weighted_Contribution": -0.752242, "FDA_Category_X_Top_Rank": -0.0793896, "FDA_Category_D_and_X_L1000_Similarity": -2.22293, "FDA_Category_D_and_X_Structural_Similarity": 0.102298, "FDA_Category_D_and_X_Weighted_Contribution": -0.980401, "FDA_Category_D_and_X_Top_Rank": -0.0840115, "Placenta_Crossing_L1000_Similarity": -2.25181, "Placenta_Crossing_Structural_Similarity": -0.602237, "Placenta_Crossing_Weighted_Contribution": -1.29795, "Placenta_Crossing_Top_Rank": -0.0905884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N", "InChI_key": "HKHOVJYOELRGMV-UHFFFAOYSA-N" } }, "CID:2062": { "type": "Drug", "properties": { "id": "CID:2062", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2062", "label": "tyrphostin", "FDA_Category_D_L1000_Similarity": 0.799206, "FDA_Category_X_L1000_Similarity": -0.82488, "FDA_Category_D_and_X_L1000_Similarity": 0.438424, "Placenta_Crossing_L1000_Similarity": 0.488517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)N", "InChI_key": "KXDONFLNGBQLTN-UHFFFAOYSA-N" } }, "CID:2065": { "type": "Drug", "properties": { "id": "CID:2065", "label": "ag-99", "lsm": "LSM-3130", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2065", "FDA_Category_D_L1000_Similarity": -0.176982, "FDA_Category_D_Structural_Similarity": 3.21281, "FDA_Category_D_Weighted_Contribution": 2.9999, "FDA_Category_D_Top_Rank": 0.274656, "FDA_Category_X_L1000_Similarity": -0.875566, "FDA_Category_X_Structural_Similarity": -0.289531, "FDA_Category_X_Weighted_Contribution": -0.738878, "FDA_Category_X_Top_Rank": -0.0863221, "FDA_Category_D_and_X_L1000_Similarity": -0.418447, "FDA_Category_D_and_X_Structural_Similarity": 2.39382, "FDA_Category_D_and_X_Weighted_Contribution": 2.07426, "FDA_Category_D_and_X_Top_Rank": 0.0864564, "Placenta_Crossing_L1000_Similarity": -0.0964661, "Placenta_Crossing_Structural_Similarity": 0.273047, "Placenta_Crossing_Weighted_Contribution": 0.0728492, "Placenta_Crossing_Top_Rank": -0.0757551, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=C(C#N)C(=O)N)O)O", "InChI_key": "USOXQZNJFMKTKJ-UHFFFAOYSA-N" } }, "CID:2083": { "type": "Drug", "properties": { "id": "CID:2083", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2083", "label": "salbutamol", "FDA_Category_D_L1000_Similarity": 1.48126, "FDA_Category_X_L1000_Similarity": -0.39616, "FDA_Category_D_and_X_L1000_Similarity": 1.15656, "Placenta_Crossing_L1000_Similarity": 0.888448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O", "InChI_key": "NDAUXUAQIAJITI-UHFFFAOYSA-N" } }, "CID:20864": { "type": "Drug", "properties": { "id": "CID:20864", "label": "st-91", "lsm": "LSM-2419", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20864", "FDA_Category_D_L1000_Similarity": 0.222491, "FDA_Category_D_Structural_Similarity": -0.48986, "FDA_Category_D_Weighted_Contribution": -0.425599, "FDA_Category_D_Top_Rank": -0.089955, "FDA_Category_X_L1000_Similarity": 0.855959, "FDA_Category_X_Structural_Similarity": -0.0787487, "FDA_Category_X_Weighted_Contribution": 0.224311, "FDA_Category_X_Top_Rank": -0.0755029, "FDA_Category_D_and_X_L1000_Similarity": 0.451731, "FDA_Category_D_and_X_Structural_Similarity": -0.431301, "FDA_Category_D_and_X_Weighted_Contribution": -0.288069, "FDA_Category_D_and_X_Top_Rank": -0.0866002, "Placenta_Crossing_L1000_Similarity": 0.107503, "Placenta_Crossing_Structural_Similarity": 0.219721, "Placenta_Crossing_Weighted_Contribution": 0.120813, "Placenta_Crossing_Top_Rank": -0.0772651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C(=CC=C1)CC)NC2=NCCN2", "InChI_key": "IALHTUPVRAQZFI-UHFFFAOYSA-N" } }, "CID:2088": { "type": "Drug", "properties": { "id": "CID:2088", "label": "alendronic acid", "lsm": "LSM-5831", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2088", "FDA_Category_D_L1000_Similarity": 0.360402, "FDA_Category_D_Structural_Similarity": 2.16824, "FDA_Category_D_Weighted_Contribution": 2.36153, "FDA_Category_D_Top_Rank": 0.0774459, "FDA_Category_X_L1000_Similarity": -0.329902, "FDA_Category_X_Structural_Similarity": 1.15308, "FDA_Category_X_Weighted_Contribution": 0.918086, "FDA_Category_X_Top_Rank": -0.0322741, "FDA_Category_D_and_X_L1000_Similarity": 0.21049, "FDA_Category_D_and_X_Structural_Similarity": 2.34316, "FDA_Category_D_and_X_Weighted_Contribution": 2.3644, "FDA_Category_D_and_X_Top_Rank": 0.0821774, "Placenta_Crossing_L1000_Similarity": 0.208403, "Placenta_Crossing_Structural_Similarity": -0.370378, "Placenta_Crossing_Weighted_Contribution": -0.363525, "Placenta_Crossing_Top_Rank": -0.086542, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN", "InChI_key": "OGSPWJRAVKPPFI-UHFFFAOYSA-N" } }, "CID:2094": { "type": "Drug", "properties": { "id": "CID:2094", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2094", "label": "allopurinol", "FDA_Category_D_L1000_Similarity": 0.772297, "FDA_Category_D_Structural_Similarity": -0.681721, "FDA_Category_D_Weighted_Contribution": -0.316574, "FDA_Category_D_Top_Rank": -0.0770181, "FDA_Category_X_L1000_Similarity": 1.33213, "FDA_Category_X_Structural_Similarity": -0.690111, "FDA_Category_X_Weighted_Contribution": -0.144393, "FDA_Category_X_Top_Rank": -0.057368, "FDA_Category_D_and_X_L1000_Similarity": 1.07028, "FDA_Category_D_and_X_Structural_Similarity": -0.913472, "FDA_Category_D_and_X_Weighted_Contribution": -0.400348, "FDA_Category_D_and_X_Top_Rank": -0.064866, "Placenta_Crossing_L1000_Similarity": 2.15531, "Placenta_Crossing_Structural_Similarity": -1.05834, "Placenta_Crossing_Weighted_Contribution": -0.102866, "Placenta_Crossing_Top_Rank": 0.0896869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=NC=NC2=O)NN1", "InChI_key": "OFCNXPDARWKPPY-UHFFFAOYSA-N" } }, "CID:21071390": { "type": "Drug", "properties": { "id": "CID:21071390", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID21071390", "label": "idalopirdine", "FDA_Category_D_L1000_Similarity": -0.697038, "FDA_Category_D_Structural_Similarity": -0.919193, "FDA_Category_D_Weighted_Contribution": -1.08991, "FDA_Category_D_Top_Rank": -0.0957316, "FDA_Category_X_L1000_Similarity": 2.4277, "FDA_Category_X_Structural_Similarity": -0.523499, "FDA_Category_X_Weighted_Contribution": 0.58805, "FDA_Category_X_Top_Rank": 0.128783, "FDA_Category_D_and_X_L1000_Similarity": 0.136385, "FDA_Category_D_and_X_Structural_Similarity": -1.01205, "FDA_Category_D_and_X_Weighted_Contribution": -0.852519, "FDA_Category_D_and_X_Top_Rank": -0.0909677, "Placenta_Crossing_L1000_Similarity": 0.566322, "Placenta_Crossing_Structural_Similarity": -0.276635, "Placenta_Crossing_Weighted_Contribution": -0.124933, "Placenta_Crossing_Top_Rank": -0.0817772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F", "InChI_key": "YBAWYTYNMZWMMJ-UHFFFAOYSA-N" } }, "CID:21109": { "type": "Drug", "properties": { "id": "CID:21109", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID21109", "label": "trimetazidine", "FDA_Category_D_L1000_Similarity": -0.592921, "FDA_Category_D_Structural_Similarity": -0.692373, "FDA_Category_D_Weighted_Contribution": -0.919275, "FDA_Category_D_Top_Rank": -0.095431, "FDA_Category_X_L1000_Similarity": -0.629362, "FDA_Category_X_Structural_Similarity": -0.577682, "FDA_Category_X_Weighted_Contribution": -0.857457, "FDA_Category_X_Top_Rank": -0.090446, "FDA_Category_D_and_X_L1000_Similarity": -0.702232, "FDA_Category_D_and_X_Structural_Similarity": -0.86126, "FDA_Category_D_and_X_Weighted_Contribution": -1.04397, "FDA_Category_D_and_X_Top_Rank": -0.0956817, "Placenta_Crossing_L1000_Similarity": 0.314241, "Placenta_Crossing_Structural_Similarity": -0.939265, "Placenta_Crossing_Weighted_Contribution": -0.755478, "Placenta_Crossing_Top_Rank": -0.0854857, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC", "InChI_key": "UHWVSEOVJBQKBE-UHFFFAOYSA-N" } }, "CID:2119": { "type": "Drug", "properties": { "id": "CID:2119", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2119", "label": "alprenolol", "FDA_Category_D_L1000_Similarity": -0.0321231, "FDA_Category_D_Structural_Similarity": -0.456664, "FDA_Category_D_Weighted_Contribution": -0.518844, "FDA_Category_D_Top_Rank": -0.092462, "FDA_Category_X_L1000_Similarity": 1.76213, "FDA_Category_X_Structural_Similarity": -0.266178, "FDA_Category_X_Weighted_Contribution": 0.505666, "FDA_Category_X_Top_Rank": -0.024331, "FDA_Category_D_and_X_L1000_Similarity": 0.50744, "FDA_Category_D_and_X_Structural_Similarity": -0.506089, "FDA_Category_D_and_X_Weighted_Contribution": -0.324704, "FDA_Category_D_and_X_Top_Rank": -0.0855, "Placenta_Crossing_L1000_Similarity": 1.48828, "Placenta_Crossing_Structural_Similarity": 2.02407, "Placenta_Crossing_Weighted_Contribution": 2.67267, "Placenta_Crossing_Top_Rank": 0.0347151, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=CC=C1CC=C)O", "InChI_key": "PAZJSJFMUHDSTF-UHFFFAOYSA-N" } }, "CID:2120": { "type": "Drug", "properties": { "id": "CID:2120", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2120", "label": "alrestatin", "FDA_Category_D_L1000_Similarity": -0.0260107, "FDA_Category_D_Structural_Similarity": 0.105686, "FDA_Category_D_Weighted_Contribution": -0.029696, "FDA_Category_D_Top_Rank": -0.0824235, "FDA_Category_X_L1000_Similarity": 0.999303, "FDA_Category_X_Structural_Similarity": -0.190311, "FDA_Category_X_Weighted_Contribution": 0.1834, "FDA_Category_X_Top_Rank": -0.0714096, "FDA_Category_D_and_X_L1000_Similarity": 0.281055, "FDA_Category_D_and_X_Structural_Similarity": -0.0188068, "FDA_Category_D_and_X_Weighted_Contribution": -0.00733301, "FDA_Category_D_and_X_Top_Rank": -0.0867078, "Placenta_Crossing_L1000_Similarity": 0.860856, "Placenta_Crossing_Structural_Similarity": -0.37864, "Placenta_Crossing_Weighted_Contribution": -0.0819226, "Placenta_Crossing_Top_Rank": -0.0746497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O", "InChI_key": "GCUCIFQCGJIRNT-UHFFFAOYSA-N" } }, "CID:2122": { "type": "Drug", "properties": { "id": "CID:2122", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2122", "label": "Altizide", "FDA_Category_D_L1000_Similarity": 0.36957, "FDA_Category_D_Structural_Similarity": -0.440322, "FDA_Category_D_Weighted_Contribution": -0.311806, "FDA_Category_D_Top_Rank": -0.0876743, "FDA_Category_X_L1000_Similarity": -0.0083448, "FDA_Category_X_Structural_Similarity": 0.73717, "FDA_Category_X_Weighted_Contribution": 0.63374, "FDA_Category_X_Top_Rank": -0.0524218, "FDA_Category_D_and_X_L1000_Similarity": 0.316037, "FDA_Category_D_and_X_Structural_Similarity": 0.0482843, "FDA_Category_D_and_X_Weighted_Contribution": 0.0736191, "FDA_Category_D_and_X_Top_Rank": -0.0853541, "Placenta_Crossing_L1000_Similarity": 1.04366, "Placenta_Crossing_Structural_Similarity": 1.7575, "Placenta_Crossing_Weighted_Contribution": 2.2195, "Placenta_Crossing_Top_Rank": 0.00560435, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2125": { "type": "Drug", "properties": { "id": "CID:2125", "label": "am-251", "lsm": "LSM-4057", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2125", "FDA_Category_D_L1000_Similarity": -1.78541, "FDA_Category_D_Structural_Similarity": -0.178726, "FDA_Category_D_Weighted_Contribution": -1.0313, "FDA_Category_D_Top_Rank": -0.0890796, "FDA_Category_X_L1000_Similarity": -0.169943, "FDA_Category_X_Structural_Similarity": -0.49067, "FDA_Category_X_Weighted_Contribution": -0.622621, "FDA_Category_X_Top_Rank": -0.0886178, "FDA_Category_D_and_X_L1000_Similarity": -1.59067, "FDA_Category_D_and_X_Structural_Similarity": -0.406621, "FDA_Category_D_and_X_Weighted_Contribution": -1.06793, "FDA_Category_D_and_X_Top_Rank": -0.0930372, "Placenta_Crossing_L1000_Similarity": -1.86593, "Placenta_Crossing_Structural_Similarity": -0.886349, "Placenta_Crossing_Weighted_Contribution": -1.33621, "Placenta_Crossing_Top_Rank": -0.0921196, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I", "InChI_key": "BUZAJRPLUGXRAB-UHFFFAOYSA-N" } }, "CID:2131": { "type": "Drug", "properties": { "id": "CID:2131", "label": "ambenonium", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2131", "FDA_Category_D_L1000_Similarity": -0.257208, "FDA_Category_D_Structural_Similarity": -0.188242, "FDA_Category_D_Weighted_Contribution": -0.408547, "FDA_Category_D_Top_Rank": -0.089241, "FDA_Category_X_L1000_Similarity": -0.659175, "FDA_Category_X_Structural_Similarity": -0.729653, "FDA_Category_X_Weighted_Contribution": -0.969442, "FDA_Category_X_Top_Rank": -0.0905366, "FDA_Category_D_and_X_L1000_Similarity": -0.4219, "FDA_Category_D_and_X_Structural_Similarity": -0.543128, "FDA_Category_D_and_X_Weighted_Contribution": -0.749072, "FDA_Category_D_and_X_Top_Rank": -0.0943446, "Placenta_Crossing_L1000_Similarity": -0.130325, "Placenta_Crossing_Structural_Similarity": -0.58195, "Placenta_Crossing_Weighted_Contribution": -0.662168, "Placenta_Crossing_Top_Rank": -0.089174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl", "InChI_key": "OMHBPUNFVFNHJK-UHFFFAOYSA-P" } }, "CID:2140": { "type": "Drug", "properties": { "id": "CID:2140", "label": "diatrizoate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2140", "FDA_Category_D_L1000_Similarity": 0.610813, "FDA_Category_D_Structural_Similarity": 0.811834, "FDA_Category_D_Weighted_Contribution": 1.08547, "FDA_Category_D_Top_Rank": -0.0601176, "FDA_Category_X_L1000_Similarity": 1.4751, "FDA_Category_X_Structural_Similarity": -0.675847, "FDA_Category_X_Weighted_Contribution": -0.0625995, "FDA_Category_X_Top_Rank": -0.0486959, "FDA_Category_D_and_X_L1000_Similarity": 0.974497, "FDA_Category_D_and_X_Structural_Similarity": 0.279679, "FDA_Category_D_and_X_Weighted_Contribution": 0.673498, "FDA_Category_D_and_X_Top_Rank": -0.0705482, "Placenta_Crossing_L1000_Similarity": 1.10561, "Placenta_Crossing_Structural_Similarity": -0.615941, "Placenta_Crossing_Weighted_Contribution": -0.183639, "Placenta_Crossing_Top_Rank": -0.0664181, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I", "InChI_key": "YVPYQUNUQOZFHG-UHFFFAOYSA-N" } }, "CID:214348": { "type": "Drug", "properties": { "id": "CID:214348", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID214348", "label": "deferasirox", "FDA_Category_D_L1000_Similarity": -0.0610377, "FDA_Category_D_Structural_Similarity": 0.556315, "FDA_Category_D_Weighted_Contribution": 0.393165, "FDA_Category_D_Top_Rank": -0.0691732, "FDA_Category_X_L1000_Similarity": -0.223025, "FDA_Category_X_Structural_Similarity": -0.237767, "FDA_Category_X_Weighted_Contribution": -0.437016, "FDA_Category_X_Top_Rank": -0.0852936, "FDA_Category_D_and_X_L1000_Similarity": -0.120344, "FDA_Category_D_and_X_Structural_Similarity": 0.313257, "FDA_Category_D_and_X_Weighted_Contribution": 0.0928603, "FDA_Category_D_and_X_Top_Rank": -0.0790888, "Placenta_Crossing_L1000_Similarity": -0.969885, "Placenta_Crossing_Structural_Similarity": 0.140397, "Placenta_Crossing_Weighted_Contribution": -0.434782, "Placenta_Crossing_Top_Rank": -0.0790906, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O", "InChI_key": "BOFQWVMAQOTZIW-UHFFFAOYSA-N" } }, "CID:2151": { "type": "Drug", "properties": { "id": "CID:2151", "label": "ampyrone", "lsm": "LSM-5369", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2151", "FDA_Category_D_L1000_Similarity": -0.245126, "FDA_Category_D_Structural_Similarity": 0.683042, "FDA_Category_D_Weighted_Contribution": 0.412601, "FDA_Category_D_Top_Rank": -0.0647468, "FDA_Category_X_L1000_Similarity": -0.588828, "FDA_Category_X_Structural_Similarity": 0.216256, "FDA_Category_X_Weighted_Contribution": -0.195709, "FDA_Category_X_Top_Rank": -0.072744, "FDA_Category_D_and_X_L1000_Similarity": -0.390115, "FDA_Category_D_and_X_Structural_Similarity": 0.65883, "FDA_Category_D_and_X_Weighted_Contribution": 0.280897, "FDA_Category_D_and_X_Top_Rank": -0.0687225, "Placenta_Crossing_L1000_Similarity": 0.249468, "Placenta_Crossing_Structural_Similarity": -0.6589, "Placenta_Crossing_Weighted_Contribution": -0.576274, "Placenta_Crossing_Top_Rank": -0.0861961, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2153": { "type": "Drug", "properties": { "id": "CID:2153", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2153", "label": "theophylline", "ref": "LSM-6010", "FDA_Category_D_L1000_Similarity": 0.91398, "FDA_Category_D_Structural_Similarity": 1.3764, "FDA_Category_D_Weighted_Contribution": 1.88878, "FDA_Category_D_Top_Rank": -0.0291321, "FDA_Category_X_L1000_Similarity": 0.781182, "FDA_Category_X_Structural_Similarity": 0.50622, "FDA_Category_X_Weighted_Contribution": 0.815953, "FDA_Category_X_Top_Rank": -0.0618333, "FDA_Category_D_and_X_L1000_Similarity": 1.02509, "FDA_Category_D_and_X_Structural_Similarity": 1.36562, "FDA_Category_D_and_X_Weighted_Contribution": 1.85328, "FDA_Category_D_and_X_Top_Rank": -0.0258679, "Placenta_Crossing_L1000_Similarity": 1.53204, "Placenta_Crossing_Structural_Similarity": 1.81765, "Placenta_Crossing_Weighted_Contribution": 2.50975, "Placenta_Crossing_Top_Rank": 0.0126324, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=O)N(C1=O)C)NC=N2", "InChI_key": "ZFXYFBGIUFBOJW-UHFFFAOYSA-N" } }, "CID:216210": { "type": "Drug", "properties": { "id": "CID:216210", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216210", "label": "dabigatran", "FDA_Category_D_L1000_Similarity": 0.597484, "FDA_Category_D_Structural_Similarity": -0.618747, "FDA_Category_D_Weighted_Contribution": -0.350068, "FDA_Category_D_Top_Rank": -0.0827179, "FDA_Category_X_L1000_Similarity": 0.380251, "FDA_Category_X_Structural_Similarity": -0.626574, "FDA_Category_X_Weighted_Contribution": -0.510046, "FDA_Category_X_Top_Rank": -0.0840086, "FDA_Category_D_and_X_L1000_Similarity": 0.630514, "FDA_Category_D_and_X_Structural_Similarity": -0.829205, "FDA_Category_D_and_X_Weighted_Contribution": -0.528438, "FDA_Category_D_and_X_Top_Rank": -0.0828111, "Placenta_Crossing_L1000_Similarity": 0.154852, "Placenta_Crossing_Structural_Similarity": 0.67243, "Placenta_Crossing_Weighted_Contribution": 0.600604, "Placenta_Crossing_Top_Rank": -0.0639247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N", "InChI_key": "YBSJFWOBGCMAKL-UHFFFAOYSA-N" } }, "CID:216235": { "type": "Drug", "properties": { "id": "CID:216235", "label": "sitaxentan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/216235", "IDG_ID": "3548", "FDA_Category_D_L1000_Similarity": -0.25722, "FDA_Category_D_Structural_Similarity": 0.319888, "FDA_Category_D_Weighted_Contribution": 0.0448223, "FDA_Category_D_Top_Rank": -0.0766324, "FDA_Category_X_L1000_Similarity": -0.797445, "FDA_Category_X_Structural_Similarity": -0.50074, "FDA_Category_X_Weighted_Contribution": -0.862431, "FDA_Category_X_Top_Rank": -0.0898389, "FDA_Category_D_and_X_L1000_Similarity": -0.463892, "FDA_Category_D_and_X_Structural_Similarity": -0.0162981, "FDA_Category_D_and_X_Weighted_Contribution": -0.370012, "FDA_Category_D_and_X_Top_Rank": -0.0866519, "Placenta_Crossing_L1000_Similarity": 0.00472325, "Placenta_Crossing_Structural_Similarity": 1.0337, "Placenta_Crossing_Weighted_Contribution": 0.902752, "Placenta_Crossing_Top_Rank": -0.0484662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2", "InChI_key": "PHWXUGHIIBDVKD-UHFFFAOYSA-N" } }, "CID:216284": { "type": "Drug", "properties": { "id": "CID:216284", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216284", "label": "zeranol", "FDA_Category_D_L1000_Similarity": -1.07121, "FDA_Category_D_Structural_Similarity": 1.67225, "FDA_Category_D_Weighted_Contribution": 0.949652, "FDA_Category_D_Top_Rank": 0.00203991, "FDA_Category_X_L1000_Similarity": 1.50326, "FDA_Category_X_Structural_Similarity": 0.591947, "FDA_Category_X_Weighted_Contribution": 1.3232, "FDA_Category_X_Top_Rank": -0.046885, "FDA_Category_D_and_X_L1000_Similarity": -0.466891, "FDA_Category_D_and_X_Structural_Similarity": 1.6467, "FDA_Category_D_and_X_Weighted_Contribution": 1.26797, "FDA_Category_D_and_X_Top_Rank": -0.00177616, "Placenta_Crossing_L1000_Similarity": -0.602155, "Placenta_Crossing_Structural_Similarity": 1.05523, "Placenta_Crossing_Weighted_Contribution": 0.599319, "Placenta_Crossing_Top_Rank": -0.0476733, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O", "InChI_key": "DWTTZBARDOXEAM-TYZXPVIJSA-N" } }, "CID:216468": { "type": "Drug", "properties": { "id": "CID:216468", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216468", "label": "indisulam", "FDA_Category_D_L1000_Similarity": -1.54379, "FDA_Category_D_Structural_Similarity": -0.136064, "FDA_Category_D_Weighted_Contribution": -0.919593, "FDA_Category_D_Top_Rank": -0.0882742, "FDA_Category_X_L1000_Similarity": -1.37645, "FDA_Category_X_Structural_Similarity": 0.15873, "FDA_Category_X_Weighted_Contribution": -0.586376, "FDA_Category_X_Top_Rank": -0.0748517, "FDA_Category_D_and_X_L1000_Similarity": -1.74878, "FDA_Category_D_and_X_Structural_Similarity": -0.0223456, "FDA_Category_D_and_X_Weighted_Contribution": -0.894965, "FDA_Category_D_and_X_Top_Rank": -0.0868002, "Placenta_Crossing_L1000_Similarity": -1.96251, "Placenta_Crossing_Structural_Similarity": -0.946747, "Placenta_Crossing_Weighted_Contribution": -1.38122, "Placenta_Crossing_Top_Rank": -0.0923063, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl", "InChI_key": "SETFNECMODOHTO-UHFFFAOYSA-N" } }, "CID:21678144": { "type": "Drug", "properties": { "id": "CID:21678144", "label": "dpo-1", "lsm": "LSM-4249", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/21678144", "FDA_Category_D_L1000_Similarity": -0.0167407, "FDA_Category_D_Structural_Similarity": -0.355889, "FDA_Category_D_Weighted_Contribution": -0.430615, "FDA_Category_D_Top_Rank": -0.0922908, "FDA_Category_X_L1000_Similarity": -0.656375, "FDA_Category_X_Structural_Similarity": -0.140578, "FDA_Category_X_Weighted_Contribution": -0.536986, "FDA_Category_X_Top_Rank": -0.0831749, "FDA_Category_D_and_X_L1000_Similarity": -0.213753, "FDA_Category_D_and_X_Structural_Similarity": -0.358329, "FDA_Category_D_and_X_Weighted_Contribution": -0.530274, "FDA_Category_D_and_X_Top_Rank": -0.0924551, "Placenta_Crossing_L1000_Similarity": -0.147437, "Placenta_Crossing_Structural_Similarity": 0.123774, "Placenta_Crossing_Weighted_Contribution": -0.0902196, "Placenta_Crossing_Top_Rank": -0.0794658, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC(C(C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C", "InChI_key": "BPCNGVCAHAIZEE-COPCDDAFSA-N" } }, "CID:21704": { "type": "Drug", "properties": { "id": "CID:21704", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID21704", "label": "vidarabine", "FDA_Category_D_L1000_Similarity": 1.61327, "FDA_Category_X_L1000_Similarity": 0.590765, "FDA_Category_D_and_X_L1000_Similarity": 1.57006, "Placenta_Crossing_L1000_Similarity": 1.16338, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N", "InChI_key": "OIRDTQYFTABQOQ-UHTZMRCNSA-N" } }, "CID:2183264": { "type": "Drug", "properties": { "id": "CID:2183264", "label": "mw-stk33-3a", "lsm": "LSM-4801", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2183264", "FDA_Category_D_L1000_Similarity": -1.07325, "FDA_Category_X_L1000_Similarity": -0.39503, "FDA_Category_D_and_X_L1000_Similarity": -1.04512, "Placenta_Crossing_L1000_Similarity": -0.694221, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br", "InChI_key": "MGAILJXWXNIMOH-UHFFFAOYSA-N" } }, "CID:2200": { "type": "Drug", "properties": { "id": "CID:2200", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2200", "label": "antazoline", "FDA_Category_D_L1000_Similarity": -0.0652041, "FDA_Category_D_Structural_Similarity": -0.441407, "FDA_Category_D_Weighted_Contribution": -0.522086, "FDA_Category_D_Top_Rank": -0.0927363, "FDA_Category_X_L1000_Similarity": 1.5226, "FDA_Category_X_Structural_Similarity": -0.682669, "FDA_Category_X_Weighted_Contribution": -0.046223, "FDA_Category_X_Top_Rank": -0.0454497, "FDA_Category_D_and_X_L1000_Similarity": 0.406176, "FDA_Category_D_and_X_Structural_Similarity": -0.718716, "FDA_Category_D_and_X_Weighted_Contribution": -0.540125, "FDA_Category_D_and_X_Top_Rank": -0.0873678, "Placenta_Crossing_L1000_Similarity": -0.213644, "Placenta_Crossing_Structural_Similarity": -0.337201, "Placenta_Crossing_Weighted_Contribution": -0.509458, "Placenta_Crossing_Top_Rank": -0.0879727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "REYFJDPCWQRWAA-UHFFFAOYSA-N" } }, "CID:2206": { "type": "Drug", "properties": { "id": "CID:2206", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2206", "label": "antipyrine", "FDA_Category_D_L1000_Similarity": 2.55143, "FDA_Category_D_Structural_Similarity": -0.886087, "FDA_Category_D_Weighted_Contribution": 0.483429, "FDA_Category_D_Top_Rank": 1.00117, "FDA_Category_X_L1000_Similarity": 2.11682, "FDA_Category_X_Structural_Similarity": -0.725345, "FDA_Category_X_Weighted_Contribution": 0.20819, "FDA_Category_X_Top_Rank": 0.0323077, "FDA_Category_D_and_X_L1000_Similarity": 2.84221, "FDA_Category_D_and_X_Structural_Similarity": -1.09469, "FDA_Category_D_and_X_Weighted_Contribution": 0.338827, "FDA_Category_D_and_X_Top_Rank": 1.17292, "Placenta_Crossing_L1000_Similarity": 2.22686, "Placenta_Crossing_Structural_Similarity": -0.120661, "Placenta_Crossing_Weighted_Contribution": 0.873766, "Placenta_Crossing_Top_Rank": 0.124504, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)N(N1C)C2=CC=CC=C2", "InChI_key": "VEQOALNAAJBPNY-UHFFFAOYSA-N" } }, "CID:22094944": { "type": "Drug", "properties": { "id": "CID:22094944", "label": "dinorcitalopram-oxalate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22094944", "FDA_Category_D_L1000_Similarity": -0.657537, "FDA_Category_D_Structural_Similarity": 0.0661933, "FDA_Category_D_Weighted_Contribution": -0.391964, "FDA_Category_D_Top_Rank": -0.0834996, "FDA_Category_X_L1000_Similarity": -0.2869, "FDA_Category_X_Structural_Similarity": -0.257499, "FDA_Category_X_Weighted_Contribution": -0.480709, "FDA_Category_X_Top_Rank": -0.0856561, "FDA_Category_D_and_X_L1000_Similarity": -0.653931, "FDA_Category_D_and_X_Structural_Similarity": -0.0864067, "FDA_Category_D_and_X_Weighted_Contribution": -0.510882, "FDA_Category_D_and_X_Top_Rank": -0.0880591, "Placenta_Crossing_L1000_Similarity": -0.956527, "Placenta_Crossing_Structural_Similarity": 0.0785684, "Placenta_Crossing_Weighted_Contribution": -0.478831, "Placenta_Crossing_Top_Rank": -0.080561, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:22228376": { "type": "Drug", "properties": { "id": "CID:22228376", "label": "gw-441756", "lsm": "LSM-2066", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22228376", "FDA_Category_D_L1000_Similarity": -1.06568, "FDA_Category_D_Structural_Similarity": -0.587475, "FDA_Category_D_Weighted_Contribution": -1.02388, "FDA_Category_D_Top_Rank": -0.0949235, "FDA_Category_X_L1000_Similarity": -0.0793361, "FDA_Category_X_Structural_Similarity": -0.672222, "FDA_Category_X_Weighted_Contribution": -0.727143, "FDA_Category_X_Top_Rank": -0.088101, "FDA_Category_D_and_X_L1000_Similarity": -0.942722, "FDA_Category_D_and_X_Structural_Similarity": -0.829015, "FDA_Category_D_and_X_Weighted_Contribution": -1.09984, "FDA_Category_D_and_X_Top_Rank": -0.0960891, "Placenta_Crossing_L1000_Similarity": -0.898237, "Placenta_Crossing_Structural_Similarity": -0.944552, "Placenta_Crossing_Weighted_Contribution": -1.13151, "Placenta_Crossing_Top_Rank": -0.0916772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC=N4)NC3=O", "InChI_key": "NXNQLECPAXXYTR-UKTHLTGXSA-N" } }, "CID:22245026": { "type": "Drug", "properties": { "id": "CID:22245026", "label": "gr-206", "lsm": "LSM-5198", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22245026", "FDA_Category_D_L1000_Similarity": 1.19035, "FDA_Category_D_Structural_Similarity": -0.768725, "FDA_Category_D_Weighted_Contribution": -0.178315, "FDA_Category_D_Top_Rank": -0.0498876, "FDA_Category_X_L1000_Similarity": 0.513447, "FDA_Category_X_Structural_Similarity": -0.607521, "FDA_Category_X_Weighted_Contribution": -0.438056, "FDA_Category_X_Top_Rank": -0.0823214, "FDA_Category_D_and_X_L1000_Similarity": 1.18202, "FDA_Category_D_and_X_Structural_Similarity": -0.937964, "FDA_Category_D_and_X_Weighted_Contribution": -0.369209, "FDA_Category_D_and_X_Top_Rank": -0.0561709, "Placenta_Crossing_L1000_Similarity": 1.59964, "Placenta_Crossing_Structural_Similarity": -0.741126, "Placenta_Crossing_Weighted_Contribution": -0.0706739, "Placenta_Crossing_Top_Rank": -0.028548, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C3=CC4=NC5=CC=CC=C5C4=C(C3=N2)C=O", "InChI_key": "OTWFDHQTFRXSAK-UHFFFAOYSA-N" } }, "CID:222515": { "type": "Drug", "properties": { "id": "CID:222515", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID222515", "label": "brazilin", "FDA_Category_D_L1000_Similarity": -1.34602, "FDA_Category_D_Structural_Similarity": 0.30507, "FDA_Category_D_Weighted_Contribution": -0.524881, "FDA_Category_D_Top_Rank": -0.0770655, "FDA_Category_X_L1000_Similarity": -0.408187, "FDA_Category_X_Structural_Similarity": 1.17919, "FDA_Category_X_Weighted_Contribution": 0.903357, "FDA_Category_X_Top_Rank": -0.0301366, "FDA_Category_D_and_X_L1000_Similarity": -1.28426, "FDA_Category_D_and_X_Structural_Similarity": 0.878424, "FDA_Category_D_and_X_Weighted_Contribution": 0.0109776, "FDA_Category_D_and_X_Top_Rank": -0.0593789, "Placenta_Crossing_L1000_Similarity": -1.47186, "Placenta_Crossing_Structural_Similarity": 0.391002, "Placenta_Crossing_Weighted_Contribution": -0.438053, "Placenta_Crossing_Top_Rank": -0.0727605, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O", "InChI_key": "UWHUTZOCTZJUKC-UHFFFAOYSA-N" } }, "CID:2236": { "type": "Drug", "properties": { "id": "CID:2236", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2236", "label": "aristolochic-acid", "FDA_Category_D_L1000_Similarity": 0.828639, "FDA_Category_D_Structural_Similarity": -0.812121, "FDA_Category_D_Weighted_Contribution": -0.398634, "FDA_Category_D_Top_Rank": -0.0745626, "FDA_Category_X_L1000_Similarity": -0.743555, "FDA_Category_X_Structural_Similarity": 0.717117, "FDA_Category_X_Weighted_Contribution": 0.219632, "FDA_Category_X_Top_Rank": -0.0532853, "FDA_Category_D_and_X_L1000_Similarity": 0.488499, "FDA_Category_D_and_X_Structural_Similarity": -0.257638, "FDA_Category_D_and_X_Weighted_Contribution": -0.118816, "FDA_Category_D_and_X_Top_Rank": -0.0858519, "Placenta_Crossing_L1000_Similarity": 0.258003, "Placenta_Crossing_Structural_Similarity": 0.422171, "Placenta_Crossing_Weighted_Contribution": 0.396676, "Placenta_Crossing_Top_Rank": -0.0718996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O", "InChI_key": "BBFQZRXNYIEMAW-UHFFFAOYSA-N" } }, "CID:22416251": { "type": "Drug", "properties": { "id": "CID:22416251", "label": "ku-c103882", "lsm": "LSM-3187", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22416251", "FDA_Category_D_L1000_Similarity": -0.717041, "FDA_Category_D_Structural_Similarity": -0.478433, "FDA_Category_D_Weighted_Contribution": -0.827316, "FDA_Category_D_Top_Rank": -0.0938712, "FDA_Category_X_L1000_Similarity": -1.71394, "FDA_Category_X_Structural_Similarity": -0.442662, "FDA_Category_X_Weighted_Contribution": -1.11721, "FDA_Category_X_Top_Rank": -0.0889382, "FDA_Category_D_and_X_L1000_Similarity": -1.13859, "FDA_Category_D_and_X_Structural_Similarity": -0.618597, "FDA_Category_D_and_X_Weighted_Contribution": -1.04506, "FDA_Category_D_and_X_Top_Rank": -0.0949182, "Placenta_Crossing_L1000_Similarity": -0.594408, "Placenta_Crossing_Structural_Similarity": -0.531333, "Placenta_Crossing_Weighted_Contribution": -0.791675, "Placenta_Crossing_Top_Rank": -0.0899595, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)C3=C(C=C(C=C3)Cl)Cl", "InChI_key": "NBFFOCQKEJRAPM-UHFFFAOYSA-N" } }, "CID:22416272": { "type": "Drug", "properties": { "id": "CID:22416272", "label": "ku-c103868", "lsm": "LSM-2445", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22416272", "FDA_Category_D_L1000_Similarity": 1.35109, "FDA_Category_D_Structural_Similarity": 0.0430325, "FDA_Category_D_Weighted_Contribution": 0.72219, "FDA_Category_D_Top_Rank": -0.0318864, "FDA_Category_X_L1000_Similarity": -0.0773573, "FDA_Category_X_Structural_Similarity": -0.751105, "FDA_Category_X_Weighted_Contribution": -0.784482, "FDA_Category_X_Top_Rank": -0.0880884, "FDA_Category_D_and_X_L1000_Similarity": 1.14117, "FDA_Category_D_and_X_Structural_Similarity": -0.371138, "FDA_Category_D_and_X_Weighted_Contribution": 0.114494, "FDA_Category_D_and_X_Top_Rank": -0.0599362, "Placenta_Crossing_L1000_Similarity": 0.892275, "Placenta_Crossing_Structural_Similarity": -0.0690017, "Placenta_Crossing_Weighted_Contribution": 0.227273, "Placenta_Crossing_Top_Rank": -0.073858, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-]", "InChI_key": "MKTFTTAOICEELK-UHFFFAOYSA-N" } }, "CID:2247": { "type": "Drug", "properties": { "id": "CID:2247", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2247", "label": "astemizole", "FDA_Category_D_L1000_Similarity": -1.89432, "FDA_Category_D_Structural_Similarity": 1.63688, "FDA_Category_D_Weighted_Contribution": 0.400366, "FDA_Category_D_Top_Rank": -0.00113578, "FDA_Category_X_L1000_Similarity": 0.440531, "FDA_Category_X_Structural_Similarity": 0.807354, "FDA_Category_X_Weighted_Contribution": 0.963048, "FDA_Category_X_Top_Rank": -0.0496188, "FDA_Category_D_and_X_L1000_Similarity": -1.49915, "FDA_Category_D_and_X_Structural_Similarity": 1.73486, "FDA_Category_D_and_X_Weighted_Contribution": 0.745296, "FDA_Category_D_and_X_Top_Rank": 0.00823278, "Placenta_Crossing_L1000_Similarity": -1.99458, "Placenta_Crossing_Structural_Similarity": -0.353657, "Placenta_Crossing_Weighted_Contribution": -1.11313, "Placenta_Crossing_Top_Rank": -0.0881727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F", "InChI_key": "GXDALQBWZGODGZ-UHFFFAOYSA-N" } }, "CID:224859": { "type": "Drug", "properties": { "id": "CID:224859", "label": "petcm", "lsm": "LSM-1917", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/224859", "FDA_Category_D_L1000_Similarity": -0.0802165, "FDA_Category_D_Structural_Similarity": -0.898721, "FDA_Category_D_Weighted_Contribution": -0.858769, "FDA_Category_D_Top_Rank": -0.0928682, "FDA_Category_X_L1000_Similarity": 2.01139, "FDA_Category_X_Structural_Similarity": -0.662271, "FDA_Category_X_Weighted_Contribution": 0.218807, "FDA_Category_X_Top_Rank": 0.0130877, "FDA_Category_D_and_X_L1000_Similarity": 0.541671, "FDA_Category_D_and_X_Structural_Similarity": -1.07069, "FDA_Category_D_and_X_Weighted_Contribution": -0.740433, "FDA_Category_D_and_X_Top_Rank": -0.0848381, "Placenta_Crossing_L1000_Similarity": 0.75197, "Placenta_Crossing_Structural_Similarity": -0.44942, "Placenta_Crossing_Weighted_Contribution": -0.195021, "Placenta_Crossing_Top_Rank": -0.0776194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=CC=C1CC(C(Cl)(Cl)Cl)O", "InChI_key": "NGTDJJKTGRNNAU-UHFFFAOYSA-N" } }, "CID:2252": { "type": "Drug", "properties": { "id": "CID:2252", "label": "ATPA", "lsm": "LSM-1708", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2252", "FDA_Category_D_L1000_Similarity": 0.41059, "FDA_Category_D_Structural_Similarity": -0.41234, "FDA_Category_D_Weighted_Contribution": -0.266883, "FDA_Category_D_Top_Rank": -0.087024, "FDA_Category_X_L1000_Similarity": -0.117096, "FDA_Category_X_Structural_Similarity": -0.695572, "FDA_Category_X_Weighted_Contribution": -0.758461, "FDA_Category_X_Top_Rank": -0.0883322, "FDA_Category_D_and_X_L1000_Similarity": 0.318376, "FDA_Category_D_and_X_Structural_Similarity": -0.702607, "FDA_Category_D_and_X_Weighted_Contribution": -0.565252, "FDA_Category_D_and_X_Top_Rank": -0.0886777, "Placenta_Crossing_L1000_Similarity": 0.799077, "Placenta_Crossing_Structural_Similarity": -0.812513, "Placenta_Crossing_Weighted_Contribution": -0.479187, "Placenta_Crossing_Top_Rank": -0.0764039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:227112": { "type": "Drug", "properties": { "id": "CID:227112", "label": "reichstein", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/227112", "FDA_Category_D_L1000_Similarity": 0.354415, "FDA_Category_D_Structural_Similarity": -0.392249, "FDA_Category_D_Weighted_Contribution": -0.278011, "FDA_Category_D_Top_Rank": -0.08792, "FDA_Category_X_L1000_Similarity": 0.668709, "FDA_Category_X_Structural_Similarity": 4.15491, "FDA_Category_X_Weighted_Contribution": 3.9836, "FDA_Category_X_Top_Rank": 0.665304, "FDA_Category_D_and_X_L1000_Similarity": 0.508586, "FDA_Category_D_and_X_Structural_Similarity": 1.93064, "FDA_Category_D_and_X_Weighted_Contribution": 2.12993, "FDA_Category_D_and_X_Top_Rank": 0.0274531, "Placenta_Crossing_L1000_Similarity": 0.691992, "Placenta_Crossing_Structural_Similarity": 2.2996, "Placenta_Crossing_Weighted_Contribution": 2.55998, "Placenta_Crossing_Top_Rank": 0.0623497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C", "InChI_key": "WHBHBVVOGNECLV-UHFFFAOYSA-N" } }, "CID:22752": { "type": "Drug", "properties": { "id": "CID:22752", "label": "lobendazole", "lsm": "LSM-2346", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22752", "FDA_Category_D_L1000_Similarity": 0.133962, "FDA_Category_D_Structural_Similarity": -0.207287, "FDA_Category_D_Weighted_Contribution": -0.229147, "FDA_Category_D_Top_Rank": -0.089655, "FDA_Category_X_L1000_Similarity": 1.69566, "FDA_Category_X_Structural_Similarity": -0.36815, "FDA_Category_X_Weighted_Contribution": 0.360962, "FDA_Category_X_Top_Rank": -0.0307256, "FDA_Category_D_and_X_L1000_Similarity": 0.630411, "FDA_Category_D_and_X_Structural_Similarity": -0.363179, "FDA_Category_D_and_X_Weighted_Contribution": -0.142001, "FDA_Category_D_and_X_Top_Rank": -0.0828182, "Placenta_Crossing_L1000_Similarity": 1.30982, "Placenta_Crossing_Structural_Similarity": -0.393658, "Placenta_Crossing_Weighted_Contribution": 0.11751, "Placenta_Crossing_Top_Rank": -0.0547989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)NC1=NC2=CC=CC=C2N1", "InChI_key": "OKOVSTKGUBOSTB-UHFFFAOYSA-N" } }, "CID:2293": { "type": "Drug", "properties": { "id": "CID:2293", "label": "bapta-am", "lsm": "LSM-2908", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2293", "FDA_Category_D_L1000_Similarity": -1.69571, "FDA_Category_D_Structural_Similarity": 0.378528, "FDA_Category_D_Weighted_Contribution": -0.625747, "FDA_Category_D_Top_Rank": -0.0749965, "FDA_Category_X_L1000_Similarity": -2.86661, "FDA_Category_X_Structural_Similarity": 0.171909, "FDA_Category_X_Weighted_Contribution": -1.09509, "FDA_Category_X_Top_Rank": -0.0743482, "FDA_Category_D_and_X_L1000_Similarity": -2.33227, "FDA_Category_D_and_X_Structural_Similarity": 0.393204, "FDA_Category_D_and_X_Weighted_Contribution": -0.838708, "FDA_Category_D_and_X_Top_Rank": -0.0770501, "Placenta_Crossing_L1000_Similarity": -2.39565, "Placenta_Crossing_Structural_Similarity": 0.254205, "Placenta_Crossing_Weighted_Contribution": -0.876017, "Placenta_Crossing_Top_Rank": -0.0763772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C", "InChI_key": "YJIYWYAMZFVECX-UHFFFAOYSA-N" } }, "CID:23036271": { "type": "Drug", "properties": { "id": "CID:23036271", "label": "vu-0413255-1", "lsm": "LSM-4132", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23036271", "FDA_Category_D_L1000_Similarity": -0.787865, "FDA_Category_D_Structural_Similarity": -0.00509609, "FDA_Category_D_Weighted_Contribution": -0.511722, "FDA_Category_D_Top_Rank": -0.0853203, "FDA_Category_X_L1000_Similarity": 0.573364, "FDA_Category_X_Structural_Similarity": -0.535284, "FDA_Category_X_Weighted_Contribution": -0.349459, "FDA_Category_X_Top_Rank": -0.081404, "FDA_Category_D_and_X_L1000_Similarity": -0.505034, "FDA_Category_D_and_X_Structural_Similarity": -0.292882, "FDA_Category_D_and_X_Weighted_Contribution": -0.604002, "FDA_Category_D_and_X_Top_Rank": -0.0916165, "Placenta_Crossing_L1000_Similarity": -0.325647, "Placenta_Crossing_Structural_Similarity": -0.148657, "Placenta_Crossing_Weighted_Contribution": -0.404087, "Placenta_Crossing_Top_Rank": -0.0851482, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCOC4=CC=CC=C4", "InChI_key": "CDZBEJLJZGBKFJ-UHFFFAOYSA-N" } }, "CID:230710": { "type": "Drug", "properties": { "id": "CID:230710", "label": "ML-204", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/230710", "FDA_Category_D_L1000_Similarity": -0.200728, "FDA_Category_D_Structural_Similarity": 0.0322614, "FDA_Category_D_Weighted_Contribution": -0.190489, "FDA_Category_D_Top_Rank": -0.0844024, "FDA_Category_X_L1000_Similarity": 0.174983, "FDA_Category_X_Structural_Similarity": -0.281055, "FDA_Category_X_Weighted_Contribution": -0.300686, "FDA_Category_X_Top_Rank": -0.0861392, "FDA_Category_D_and_X_L1000_Similarity": -0.119893, "FDA_Category_D_and_X_Structural_Similarity": -0.12605, "FDA_Category_D_and_X_Weighted_Contribution": -0.300894, "FDA_Category_D_and_X_Top_Rank": -0.0888587, "Placenta_Crossing_L1000_Similarity": 0.795342, "Placenta_Crossing_Structural_Similarity": -0.977273, "Placenta_Crossing_Weighted_Contribution": -0.607463, "Placenta_Crossing_Top_Rank": -0.0765011, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2320": { "type": "Drug", "properties": { "id": "CID:2320", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2320", "label": "benfotiamine", "FDA_Category_D_L1000_Similarity": 0.74072, "FDA_Category_D_Structural_Similarity": 0.67488, "FDA_Category_D_Weighted_Contribution": 1.01899, "FDA_Category_D_Top_Rank": -0.0650523, "FDA_Category_X_L1000_Similarity": -0.139816, "FDA_Category_X_Structural_Similarity": 1.45356, "FDA_Category_X_Weighted_Contribution": 1.36817, "FDA_Category_X_Top_Rank": -0.0112542, "FDA_Category_D_and_X_L1000_Similarity": 0.596053, "FDA_Category_D_and_X_Structural_Similarity": 1.31999, "FDA_Category_D_and_X_Weighted_Contribution": 1.55477, "FDA_Category_D_and_X_Top_Rank": -0.0292406, "Placenta_Crossing_L1000_Similarity": 0.5106, "Placenta_Crossing_Structural_Similarity": 2.49507, "Placenta_Crossing_Weighted_Contribution": 2.65108, "Placenta_Crossing_Top_Rank": 0.0883903, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C", "InChI_key": "BTNNPSLJPBRMLZ-UHFFFAOYSA-N" } }, "CID:2337": { "type": "Drug", "properties": { "id": "CID:2337", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2337", "label": "benzocaine", "FDA_Category_D_L1000_Similarity": -0.0230023, "FDA_Category_D_Structural_Similarity": 0.212097, "FDA_Category_D_Weighted_Contribution": 0.0729504, "FDA_Category_D_Top_Rank": -0.0796069, "FDA_Category_X_L1000_Similarity": -0.402223, "FDA_Category_X_Structural_Similarity": -0.296072, "FDA_Category_X_Weighted_Contribution": -0.560038, "FDA_Category_X_Top_Rank": -0.0864579, "FDA_Category_D_and_X_L1000_Similarity": -0.141987, "FDA_Category_D_and_X_Structural_Similarity": 0.008585, "FDA_Category_D_and_X_Weighted_Contribution": -0.195957, "FDA_Category_D_and_X_Top_Rank": -0.0861105, "Placenta_Crossing_L1000_Similarity": 0.189737, "Placenta_Crossing_Structural_Similarity": 2.65035, "Placenta_Crossing_Weighted_Contribution": 2.64457, "Placenta_Crossing_Top_Rank": 0.117402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=CC=C(C=C1)N", "InChI_key": "BLFLLBZGZJTVJG-UHFFFAOYSA-N" } }, "CID:23418": { "type": "Drug", "properties": { "id": "CID:23418", "label": "ormetoprim", "lsm": "LSM-5401", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23418", "FDA_Category_D_L1000_Similarity": 0.167318, "FDA_Category_D_Structural_Similarity": 1.44378, "FDA_Category_D_Weighted_Contribution": 1.4924, "FDA_Category_D_Top_Rank": -0.0230428, "FDA_Category_X_L1000_Similarity": 0.959309, "FDA_Category_X_Structural_Similarity": -0.562099, "FDA_Category_X_Weighted_Contribution": -0.199102, "FDA_Category_X_Top_Rank": -0.0726024, "FDA_Category_D_and_X_L1000_Similarity": 0.435563, "FDA_Category_D_and_X_Structural_Similarity": 0.842638, "FDA_Category_D_and_X_Weighted_Contribution": 0.948961, "FDA_Category_D_and_X_Top_Rank": -0.0615558, "Placenta_Crossing_L1000_Similarity": 0.786974, "Placenta_Crossing_Structural_Similarity": 0.736248, "Placenta_Crossing_Weighted_Contribution": 1.0096, "Placenta_Crossing_Top_Rank": -0.0617891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC", "InChI_key": "KEEYRKYKLYARHO-UHFFFAOYSA-N" } }, "CID:2345": { "type": "Drug", "properties": { "id": "CID:2345", "label": "benzyl benzoate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2345", "FDA_Category_D_L1000_Similarity": -0.0673769, "FDA_Category_D_Structural_Similarity": 0.231199, "FDA_Category_D_Weighted_Contribution": 0.0663392, "FDA_Category_D_Top_Rank": -0.0790141, "FDA_Category_X_L1000_Similarity": -1.21768, "FDA_Category_X_Structural_Similarity": -0.632457, "FDA_Category_X_Weighted_Contribution": -1.08277, "FDA_Category_X_Top_Rank": -0.091402, "FDA_Category_D_and_X_L1000_Similarity": -0.42787, "FDA_Category_D_and_X_Structural_Similarity": -0.157765, "FDA_Category_D_and_X_Weighted_Contribution": -0.46763, "FDA_Category_D_and_X_Top_Rank": -0.08944, "Placenta_Crossing_L1000_Similarity": -0.0534279, "Placenta_Crossing_Structural_Similarity": -0.387887, "Placenta_Crossing_Weighted_Contribution": -0.485405, "Placenta_Crossing_Top_Rank": -0.0885679, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2", "InChI_key": "SESFRYSPDFLNCH-UHFFFAOYSA-N" } }, "CID:2351": { "type": "Drug", "properties": { "id": "CID:2351", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2351", "label": "bepridil", "FDA_Category_D_L1000_Similarity": -1.0857, "FDA_Category_D_Structural_Similarity": -0.758588, "FDA_Category_D_Weighted_Contribution": -1.12651, "FDA_Category_D_Top_Rank": -0.0962627, "FDA_Category_X_L1000_Similarity": 0.52236, "FDA_Category_X_Structural_Similarity": -0.736385, "FDA_Category_X_Weighted_Contribution": -0.541859, "FDA_Category_X_Top_Rank": -0.0822123, "FDA_Category_D_and_X_L1000_Similarity": -0.77725, "FDA_Category_D_and_X_Structural_Similarity": -0.999452, "FDA_Category_D_and_X_Weighted_Contribution": -1.1404, "FDA_Category_D_and_X_Top_Rank": -0.0958622, "Placenta_Crossing_L1000_Similarity": -0.706746, "Placenta_Crossing_Structural_Similarity": 0.398276, "Placenta_Crossing_Weighted_Contribution": -0.0986241, "Placenta_Crossing_Top_Rank": -0.0725414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3", "InChI_key": "UIEATEWHFDRYRU-UHFFFAOYSA-N" } }, "CID:2354": { "type": "Drug", "properties": { "id": "CID:2354", "label": "diminazene", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2354", "FDA_Category_D_L1000_Similarity": -0.4009, "FDA_Category_D_Structural_Similarity": -0.442128, "FDA_Category_D_Weighted_Contribution": -0.672012, "FDA_Category_D_Top_Rank": -0.0934643, "FDA_Category_X_L1000_Similarity": -1.13496, "FDA_Category_X_Structural_Similarity": -0.753661, "FDA_Category_X_Weighted_Contribution": -1.1295, "FDA_Category_X_Top_Rank": -0.0914665, "FDA_Category_D_and_X_L1000_Similarity": -0.690249, "FDA_Category_D_and_X_Structural_Similarity": -0.757596, "FDA_Category_D_and_X_Weighted_Contribution": -0.980824, "FDA_Category_D_and_X_Top_Rank": -0.0956485, "Placenta_Crossing_L1000_Similarity": 0.51526, "Placenta_Crossing_Structural_Similarity": -1.00835, "Placenta_Crossing_Weighted_Contribution": -0.732634, "Placenta_Crossing_Top_Rank": -0.0826809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N", "InChI_key": "XNYZHCFCZNMTFY-UHFFFAOYSA-N" } }, "CID:2356": { "type": "Drug", "properties": { "id": "CID:2356", "label": "bergenin", "lsm": "LSM-1334", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2356", "FDA_Category_D_L1000_Similarity": 0.616436, "FDA_Category_D_Structural_Similarity": 1.06239, "FDA_Category_D_Weighted_Contribution": 1.36327, "FDA_Category_D_Top_Rank": -0.0474346, "FDA_Category_X_L1000_Similarity": -0.117178, "FDA_Category_X_Structural_Similarity": -0.57196, "FDA_Category_X_Weighted_Contribution": -0.665389, "FDA_Category_X_Top_Rank": -0.0883356, "FDA_Category_D_and_X_L1000_Similarity": 0.495784, "FDA_Category_D_and_X_Structural_Similarity": 0.534605, "FDA_Category_D_and_X_Weighted_Contribution": 0.659493, "FDA_Category_D_and_X_Top_Rank": -0.0728705, "Placenta_Crossing_L1000_Similarity": 0.844168, "Placenta_Crossing_Structural_Similarity": -0.363357, "Placenta_Crossing_Weighted_Contribution": -0.075694, "Placenta_Crossing_Top_Rank": -0.0751662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O", "InChI_key": "YWJXCIXBAKGUKZ-UHFFFAOYSA-N" } }, "CID:23637804": { "type": "Drug", "properties": { "id": "CID:23637804", "label": "ceforanide", "lsm": "LSM-2838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23637804", "FDA_Category_D_L1000_Similarity": 0.383114, "FDA_Category_D_Structural_Similarity": 0.326244, "FDA_Category_D_Weighted_Contribution": 0.424018, "FDA_Category_D_Top_Rank": -0.0764725, "FDA_Category_X_L1000_Similarity": 0.67568, "FDA_Category_X_Structural_Similarity": 1.60262, "FDA_Category_X_Weighted_Contribution": 1.99414, "FDA_Category_X_Top_Rank": -0.00136253, "FDA_Category_D_and_X_L1000_Similarity": 0.535453, "FDA_Category_D_and_X_Structural_Similarity": 1.12371, "FDA_Category_D_and_X_Weighted_Contribution": 1.3096, "FDA_Category_D_and_X_Top_Rank": -0.0442128, "Placenta_Crossing_L1000_Similarity": 0.580226, "Placenta_Crossing_Structural_Similarity": 5.67274, "Placenta_Crossing_Weighted_Contribution": 4.17554, "Placenta_Crossing_Top_Rank": 1.49425, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2370": { "type": "Drug", "properties": { "id": "CID:2370", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2370", "label": "bethanechol", "ref": "LSM-5196", "FDA_Category_D_L1000_Similarity": 0.509953, "FDA_Category_D_Structural_Similarity": -0.455134, "FDA_Category_D_Weighted_Contribution": -0.253452, "FDA_Category_D_Top_Rank": -0.0850454, "FDA_Category_X_L1000_Similarity": 1.08868, "FDA_Category_X_Structural_Similarity": 0.587648, "FDA_Category_X_Weighted_Contribution": 1.08174, "FDA_Category_X_Top_Rank": -0.0582893, "FDA_Category_D_and_X_L1000_Similarity": 0.77019, "FDA_Category_D_and_X_Structural_Similarity": -0.0441535, "FDA_Category_D_and_X_Weighted_Contribution": 0.229312, "FDA_Category_D_and_X_Top_Rank": -0.0787954, "Placenta_Crossing_L1000_Similarity": 0.943229, "Placenta_Crossing_Structural_Similarity": 0.719094, "Placenta_Crossing_Weighted_Contribution": 1.07661, "Placenta_Crossing_Top_Rank": -0.0624666, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C[N+](C)(C)C)OC(=O)N", "InChI_key": "NZUPCNDJBJXXRF-UHFFFAOYSA-O" } }, "CID:23725": { "type": "Drug", "properties": { "id": "CID:23725", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID23725", "label": "psoromic-acid", "FDA_Category_D_L1000_Similarity": 0.941391, "FDA_Category_D_Structural_Similarity": -0.781056, "FDA_Category_D_Weighted_Contribution": -0.316845, "FDA_Category_D_Top_Rank": -0.0691128, "FDA_Category_X_L1000_Similarity": 0.847108, "FDA_Category_X_Structural_Similarity": -0.434795, "FDA_Category_X_Weighted_Contribution": -0.132493, "FDA_Category_X_Top_Rank": -0.0757332, "FDA_Category_D_and_X_L1000_Similarity": 1.06875, "FDA_Category_D_and_X_Structural_Similarity": -0.854549, "FDA_Category_D_and_X_Weighted_Contribution": -0.352796, "FDA_Category_D_and_X_Top_Rank": -0.0649167, "Placenta_Crossing_L1000_Similarity": 0.451783, "Placenta_Crossing_Structural_Similarity": 3.14428, "Placenta_Crossing_Weighted_Contribution": 3.13708, "Placenta_Crossing_Top_Rank": 0.231843, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O", "InChI_key": "FUCWJKJZOHOLEO-UHFFFAOYSA-N" } }, "CID:23748511": { "type": "Drug", "properties": { "id": "CID:23748511", "label": "iii606050", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23748511", "FDA_Category_D_L1000_Similarity": -1.2212, "FDA_Category_D_Structural_Similarity": -0.109203, "FDA_Category_D_Weighted_Contribution": -0.776938, "FDA_Category_D_Top_Rank": -0.0877283, "FDA_Category_X_L1000_Similarity": -1.58293, "FDA_Category_X_Structural_Similarity": 0.286404, "FDA_Category_X_Weighted_Contribution": -0.566797, "FDA_Category_X_Top_Rank": -0.0702982, "FDA_Category_D_and_X_L1000_Similarity": -1.5334, "FDA_Category_D_and_X_Structural_Similarity": 0.0678667, "FDA_Category_D_and_X_Weighted_Contribution": -0.757318, "FDA_Category_D_and_X_Top_Rank": -0.0849014, "Placenta_Crossing_L1000_Similarity": -2.28361, "Placenta_Crossing_Structural_Similarity": 0.280997, "Placenta_Crossing_Weighted_Contribution": -0.821525, "Placenta_Crossing_Top_Rank": -0.0755078, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(C(C(C(O1)CO)OC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6", "InChI_key": "RKPTWSXVLUXDHF-DWCHZDDLSA-N" } }, "CID:23760135": { "type": "Drug", "properties": { "id": "CID:23760135", "label": "ungerine", "lsm": "LSM-1944", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23760135", "FDA_Category_D_L1000_Similarity": 1.27391, "FDA_Category_D_Structural_Similarity": -0.540462, "FDA_Category_D_Weighted_Contribution": 0.0795805, "FDA_Category_D_Top_Rank": -0.040442, "FDA_Category_X_L1000_Similarity": -1.73242, "FDA_Category_X_Structural_Similarity": -0.124723, "FDA_Category_X_Weighted_Contribution": -0.924859, "FDA_Category_X_Top_Rank": -0.0828786, "FDA_Category_D_and_X_L1000_Similarity": 0.572031, "FDA_Category_D_and_X_Structural_Similarity": -0.496272, "FDA_Category_D_and_X_Weighted_Contribution": -0.285981, "FDA_Category_D_and_X_Top_Rank": -0.0841617, "Placenta_Crossing_L1000_Similarity": 0.609876, "Placenta_Crossing_Structural_Similarity": 0.423964, "Placenta_Crossing_Weighted_Contribution": 0.582214, "Placenta_Crossing_Top_Rank": -0.071835, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(C3C(C21)C4=CC5=C(C=C4C(=O)O3)OCO5)OC", "InChI_key": "DITOENWBJBNZSL-ORBLICNNSA-N" } }, "CID:23786513": { "type": "Drug", "properties": { "id": "CID:23786513", "label": "nk26-i-41-1", "lsm": "LSM-4443", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23786513", "FDA_Category_D_L1000_Similarity": -0.0761754, "FDA_Category_X_L1000_Similarity": 1.68866, "FDA_Category_D_and_X_L1000_Similarity": 0.447163, "Placenta_Crossing_L1000_Similarity": 1.02373, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=C(OC(=N2)SCC(CC(C3=CC=C(C=C3)[N+](=O)[O-])O)O)C4=CC=CC=C4", "InChI_key": "AVXZWYCDHOFEQY-UHFFFAOYSA-N" } }, "CID:23817956": { "type": "Drug", "properties": { "id": "CID:23817956", "label": "hydralazine", "lsm": "LSM-1803", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23817956", "IDG_ID": "1384", "FDA_Category_D_L1000_Similarity": 0.331081, "FDA_Category_D_Structural_Similarity": -0.323005, "FDA_Category_D_Weighted_Contribution": -0.229401, "FDA_Category_D_Top_Rank": -0.0883279, "FDA_Category_X_L1000_Similarity": 1.74147, "FDA_Category_X_Structural_Similarity": 1.31389, "FDA_Category_X_Weighted_Contribution": 2.25674, "FDA_Category_X_Top_Rank": -0.0195359, "FDA_Category_D_and_X_L1000_Similarity": 0.814252, "FDA_Category_D_and_X_Structural_Similarity": 0.452597, "FDA_Category_D_and_X_Weighted_Contribution": 0.760608, "FDA_Category_D_and_X_Top_Rank": -0.0753849, "Placenta_Crossing_L1000_Similarity": 1.11668, "Placenta_Crossing_Structural_Similarity": 0.101568, "Placenta_Crossing_Weighted_Contribution": 0.51447, "Placenta_Crossing_Top_Rank": -0.0660376, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=CC2C(=CN=NC2=NN)C=C1", "InChI_key": "WPBPIIQLGGMJCS-FLIBITNWSA-N" } }, "CID:23874513": { "type": "Drug", "properties": { "id": "CID:23874513", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID23874513", "label": "asiaticoside", "FDA_Category_D_L1000_Similarity": 1.18656, "FDA_Category_D_Structural_Similarity": -0.29503, "FDA_Category_D_Weighted_Contribution": 0.27065, "FDA_Category_D_Top_Rank": -0.0501088, "FDA_Category_X_L1000_Similarity": -0.690137, "FDA_Category_X_Structural_Similarity": -0.182223, "FDA_Category_X_Weighted_Contribution": -0.584387, "FDA_Category_X_Top_Rank": -0.0841684, "FDA_Category_D_and_X_L1000_Similarity": 0.813248, "FDA_Category_D_and_X_Structural_Similarity": -0.332496, "FDA_Category_D_and_X_Weighted_Contribution": -0.0214982, "FDA_Category_D_and_X_Top_Rank": -0.0772602, "Placenta_Crossing_L1000_Similarity": 0.35033, "Placenta_Crossing_Structural_Similarity": -0.0599145, "Placenta_Crossing_Weighted_Contribution": -0.0269742, "Placenta_Crossing_Top_Rank": -0.0834339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O", "InChI_key": "WYQVAPGDARQUBT-PHRCFOMISA-N" } }, "CID:2391": { "type": "Drug", "properties": { "id": "CID:2391", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2391", "label": "bisacodyl", "ref": "LSM-2883", "FDA_Category_D_L1000_Similarity": -1.1514, "FDA_Category_D_Structural_Similarity": -0.944751, "FDA_Category_D_Weighted_Contribution": -1.24099, "FDA_Category_D_Top_Rank": -0.096483, "FDA_Category_X_L1000_Similarity": -1.53257, "FDA_Category_X_Structural_Similarity": 0.268904, "FDA_Category_X_Weighted_Contribution": -0.560568, "FDA_Category_X_Top_Rank": -0.0709598, "FDA_Category_D_and_X_L1000_Similarity": -1.45794, "FDA_Category_D_and_X_Structural_Similarity": -0.604762, "FDA_Category_D_and_X_Weighted_Contribution": -1.13365, "FDA_Category_D_and_X_Top_Rank": -0.0948252, "Placenta_Crossing_L1000_Similarity": -1.25529, "Placenta_Crossing_Structural_Similarity": -0.380565, "Placenta_Crossing_Weighted_Contribution": -0.911605, "Placenta_Crossing_Top_Rank": -0.0884828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3", "InChI_key": "KHOITXIGCFIULA-UHFFFAOYSA-N" } }, "CID:23919058": { "type": "Drug", "properties": { "id": "CID:23919058", "label": "tyrphostin-b44", "lsm": "LSM-2228", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23919058", "FDA_Category_D_L1000_Similarity": 0.513827, "FDA_Category_X_L1000_Similarity": 0.527371, "FDA_Category_D_and_X_L1000_Similarity": 0.603078, "Placenta_Crossing_L1000_Similarity": 0.57052, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N", "InChI_key": "UMGQVUWXNOJOSJ-CDCQXCROSA-N" } }, "CID:23930397": { "type": "Drug", "properties": { "id": "CID:23930397", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID23930397", "label": "heliotrine", "FDA_Category_D_L1000_Similarity": 1.81621, "FDA_Category_D_Structural_Similarity": 2.60158, "FDA_Category_D_Weighted_Contribution": 3.38905, "FDA_Category_D_Top_Rank": 0.149836, "FDA_Category_X_L1000_Similarity": 0.97641, "FDA_Category_X_Structural_Similarity": -0.30723, "FDA_Category_X_Weighted_Contribution": 0.053963, "FDA_Category_X_Top_Rank": -0.0721556, "FDA_Category_D_and_X_L1000_Similarity": 1.86212, "FDA_Category_D_and_X_Structural_Similarity": 1.89913, "FDA_Category_D_and_X_Weighted_Contribution": 2.78402, "FDA_Category_D_and_X_Top_Rank": 0.0480578, "Placenta_Crossing_L1000_Similarity": 1.26718, "Placenta_Crossing_Structural_Similarity": -0.734637, "Placenta_Crossing_Weighted_Contribution": -0.215978, "Placenta_Crossing_Top_Rank": -0.0579474, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1C(CC2)O)O", "InChI_key": "LMFKRLGHEKVMNT-GVCFFYALSA-N" } }, "CID:23947034": { "type": "Drug", "properties": { "id": "CID:23947034", "label": "i-070754", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23947034", "FDA_Category_D_L1000_Similarity": -0.653433, "FDA_Category_D_Structural_Similarity": 0.747704, "FDA_Category_D_Weighted_Contribution": 0.235918, "FDA_Category_D_Top_Rank": -0.0624921, "FDA_Category_X_L1000_Similarity": -0.00645679, "FDA_Category_X_Structural_Similarity": 0.500568, "FDA_Category_X_Weighted_Contribution": 0.378939, "FDA_Category_X_Top_Rank": -0.0620488, "FDA_Category_D_and_X_L1000_Similarity": -0.565227, "FDA_Category_D_and_X_Structural_Similarity": 0.863567, "FDA_Category_D_and_X_Weighted_Contribution": 0.387042, "FDA_Category_D_and_X_Top_Rank": -0.060511, "Placenta_Crossing_L1000_Similarity": -0.493952, "Placenta_Crossing_Structural_Similarity": 1.62691, "Placenta_Crossing_Weighted_Contribution": 1.26981, "Placenta_Crossing_Top_Rank": -0.0105663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1CC=CCC(C(=O)OC2C(C(C(OC2OC)CO)OC(=O)NC3=CC=C(C=C3)OC)OC1=O)C(=O)OCC", "InChI_key": "NCHNHYZMDUFVHL-WJVGCGPXSA-N" } }, "CID:23948194": { "type": "Drug", "properties": { "id": "CID:23948194", "label": "pati-1-2-3", "lsm": "LSM-4479", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23948194", "FDA_Category_D_L1000_Similarity": 0.106576, "FDA_Category_D_Structural_Similarity": -0.58122, "FDA_Category_D_Weighted_Contribution": -0.552755, "FDA_Category_D_Top_Rank": -0.091213, "FDA_Category_X_L1000_Similarity": 0.0537601, "FDA_Category_X_Structural_Similarity": -0.196276, "FDA_Category_X_Weighted_Contribution": -0.278987, "FDA_Category_X_Top_Rank": -0.084494, "FDA_Category_D_and_X_L1000_Similarity": 0.108206, "FDA_Category_D_and_X_Structural_Similarity": -0.567232, "FDA_Category_D_and_X_Weighted_Contribution": -0.551962, "FDA_Category_D_and_X_Top_Rank": -0.0912286, "Placenta_Crossing_L1000_Similarity": 0.739964, "Placenta_Crossing_Structural_Similarity": -0.293141, "Placenta_Crossing_Weighted_Contribution": -0.0597903, "Placenta_Crossing_Top_Rank": -0.077916, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCC#CC1C2=CC(=C(C=C2CCN1CC3=CC=C(O3)[N+](=O)[O-])OC)O", "InChI_key": "QXCLYNLZMVJDAD-UHFFFAOYSA-N" } }, "CID:23958199": { "type": "Drug", "properties": { "id": "CID:23958199", "label": "apramycin", "lsm": "LSM-5098", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23958199", "FDA_Category_D_L1000_Similarity": -0.177293, "FDA_Category_D_Structural_Similarity": 0.764538, "FDA_Category_D_Weighted_Contribution": 0.538453, "FDA_Category_D_Top_Rank": -0.0617899, "FDA_Category_X_L1000_Similarity": -1.30549, "FDA_Category_X_Structural_Similarity": 0.773043, "FDA_Category_X_Weighted_Contribution": -0.00677542, "FDA_Category_X_Top_Rank": -0.0508788, "FDA_Category_D_and_X_L1000_Similarity": -0.549285, "FDA_Category_D_and_X_Structural_Similarity": 1.02396, "FDA_Category_D_and_X_Weighted_Contribution": 0.559469, "FDA_Category_D_and_X_Top_Rank": -0.0519136, "Placenta_Crossing_L1000_Similarity": -0.492818, "Placenta_Crossing_Structural_Similarity": 0.669832, "Placenta_Crossing_Weighted_Contribution": 0.262994, "Placenta_Crossing_Top_Rank": -0.0640336, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24066": { "type": "Drug", "properties": { "id": "CID:24066", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24066", "label": "zalcitabine", "FDA_Category_D_L1000_Similarity": 0.94727, "FDA_Category_D_Structural_Similarity": 3.98763, "FDA_Category_D_Weighted_Contribution": 3.83721, "FDA_Category_D_Top_Rank": 0.527897, "FDA_Category_X_L1000_Similarity": 0.512485, "FDA_Category_X_Structural_Similarity": -0.669162, "FDA_Category_X_Weighted_Contribution": -0.490447, "FDA_Category_X_Top_Rank": -0.0823394, "FDA_Category_D_and_X_L1000_Similarity": 0.972205, "FDA_Category_D_and_X_Structural_Similarity": 2.80396, "FDA_Category_D_and_X_Weighted_Contribution": 3.09033, "FDA_Category_D_and_X_Top_Rank": 0.156768, "Placenta_Crossing_L1000_Similarity": 0.32262, "Placenta_Crossing_Structural_Similarity": 2.51957, "Placenta_Crossing_Weighted_Contribution": 2.58897, "Placenta_Crossing_Top_Rank": 0.092335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1CC(OC1CO)N2C=CC(=NC2=O)N", "InChI_key": "WREGKURFCTUGRC-POYBYMJQSA-N" } }, "CID:24094187": { "type": "Drug", "properties": { "id": "CID:24094187", "label": "ugiss-451", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24094187", "FDA_Category_D_L1000_Similarity": -1.84301, "FDA_Category_X_L1000_Similarity": -0.569789, "FDA_Category_D_and_X_L1000_Similarity": -1.76175, "Placenta_Crossing_L1000_Similarity": -1.76947, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CNC(=O)C2C34C=CC(O3)C(C4C(=O)N2C5=C(C(=CC=C5)Cl)CO)C(=O)O", "InChI_key": "BSOCYPJRZOKXMA-YSKXDDPOSA-N" } }, "CID:244898": { "type": "Drug", "properties": { "id": "CID:244898", "label": "lumicolchicine", "lsm": "LSM-4236", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/244898", "FDA_Category_D_L1000_Similarity": -0.00613945, "FDA_Category_D_Structural_Similarity": -0.532446, "FDA_Category_D_Weighted_Contribution": -0.566092, "FDA_Category_D_Top_Rank": -0.0922125, "FDA_Category_X_L1000_Similarity": 0.896878, "FDA_Category_X_Structural_Similarity": -0.638527, "FDA_Category_X_Weighted_Contribution": -0.297307, "FDA_Category_X_Top_Rank": -0.074471, "FDA_Category_D_and_X_L1000_Similarity": 0.267076, "FDA_Category_D_and_X_Structural_Similarity": -0.767156, "FDA_Category_D_and_X_Weighted_Contribution": -0.634454, "FDA_Category_D_and_X_Top_Rank": -0.0894142, "Placenta_Crossing_L1000_Similarity": 0.577533, "Placenta_Crossing_Structural_Similarity": -0.804665, "Placenta_Crossing_Weighted_Contribution": -0.560547, "Placenta_Crossing_Top_Rank": -0.0815204, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC", "InChI_key": "VKPVZFOUXUQJMW-FHSNZYRGSA-N" } }, "CID:2466": { "type": "Drug", "properties": { "id": "CID:2466", "label": "bufexamac", "lsm": "LSM-5494", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2466", "FDA_Category_D_L1000_Similarity": -0.817364, "FDA_Category_D_Structural_Similarity": 1.58363, "FDA_Category_D_Weighted_Contribution": 1.01503, "FDA_Category_D_Top_Rank": -0.00805934, "FDA_Category_X_L1000_Similarity": 0.437481, "FDA_Category_X_Structural_Similarity": -0.237864, "FDA_Category_X_Weighted_Contribution": -0.140094, "FDA_Category_X_Top_Rank": -0.0832989, "FDA_Category_D_and_X_L1000_Similarity": -0.571719, "FDA_Category_D_and_X_Structural_Similarity": 1.1286, "FDA_Category_D_and_X_Weighted_Contribution": 0.654893, "FDA_Category_D_and_X_Top_Rank": -0.0438489, "Placenta_Crossing_L1000_Similarity": -0.642425, "Placenta_Crossing_Structural_Similarity": -0.120681, "Placenta_Crossing_Weighted_Contribution": -0.510242, "Placenta_Crossing_Top_Rank": -0.0846247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2467": { "type": "Drug", "properties": { "id": "CID:2467", "label": "buflomedil", "lsm": "LSM-5365", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2467", "IDG_ID": "422", "FDA_Category_D_L1000_Similarity": 0.365505, "FDA_Category_D_Structural_Similarity": -0.636324, "FDA_Category_D_Weighted_Contribution": -0.476515, "FDA_Category_D_Top_Rank": -0.0877612, "FDA_Category_X_L1000_Similarity": 0.400611, "FDA_Category_X_Structural_Similarity": 1.44827, "FDA_Category_X_Weighted_Contribution": 1.66932, "FDA_Category_X_Top_Rank": -0.0118056, "FDA_Category_D_and_X_L1000_Similarity": 0.436725, "FDA_Category_D_and_X_Structural_Similarity": 0.276423, "FDA_Category_D_and_X_Weighted_Contribution": 0.361482, "FDA_Category_D_and_X_Top_Rank": -0.0799927, "Placenta_Crossing_L1000_Similarity": 0.832382, "Placenta_Crossing_Structural_Similarity": 0.3922, "Placenta_Crossing_Weighted_Contribution": 0.667154, "Placenta_Crossing_Top_Rank": -0.0727243, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC", "InChI_key": "OWYLAEYXIQKAOL-UHFFFAOYSA-N" } }, "CID:24747180": { "type": "Drug", "properties": { "id": "CID:24747180", "label": "jas07-010", "lsm": "LSM-3212", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747180", "FDA_Category_D_L1000_Similarity": -0.183889, "FDA_Category_D_Structural_Similarity": -0.461307, "FDA_Category_D_Weighted_Contribution": -0.591366, "FDA_Category_D_Top_Rank": -0.0935912, "FDA_Category_X_L1000_Similarity": -1.03624, "FDA_Category_X_Structural_Similarity": -0.65184, "FDA_Category_X_Weighted_Contribution": -1.03947, "FDA_Category_X_Top_Rank": -0.0913257, "FDA_Category_D_and_X_L1000_Similarity": -0.473196, "FDA_Category_D_and_X_Structural_Similarity": -0.717876, "FDA_Category_D_and_X_Weighted_Contribution": -0.882734, "FDA_Category_D_and_X_Top_Rank": -0.0949685, "Placenta_Crossing_L1000_Similarity": -0.383263, "Placenta_Crossing_Structural_Similarity": -1.06419, "Placenta_Crossing_Weighted_Contribution": -1.05461, "Placenta_Crossing_Top_Rank": -0.0903725, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=C(C=C4)F)C5=CC=CC=C5N2)C", "InChI_key": "FFKOKIOJYNDYIL-SFHVURJKSA-N" } }, "CID:24747189": { "type": "Drug", "properties": { "id": "CID:24747189", "label": "jas07-004", "lsm": "LSM-2392", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747189", "FDA_Category_D_L1000_Similarity": -0.0935934, "FDA_Category_X_L1000_Similarity": 1.70607, "FDA_Category_D_and_X_L1000_Similarity": 0.43742, "Placenta_Crossing_L1000_Similarity": 0.419482, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)CN2C(=O)C3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45", "InChI_key": "XLHDISIHIXXBEP-IBGZPJMESA-N" } }, "CID:24747231": { "type": "Drug", "properties": { "id": "CID:24747231", "label": "jas07-009", "lsm": "LSM-3388", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747231", "FDA_Category_D_L1000_Similarity": 0.67571, "FDA_Category_D_Structural_Similarity": -0.453472, "FDA_Category_D_Weighted_Contribution": -0.165838, "FDA_Category_D_Top_Rank": -0.0804435, "FDA_Category_X_L1000_Similarity": 0.468888, "FDA_Category_X_Structural_Similarity": -0.647248, "FDA_Category_X_Weighted_Contribution": -0.490365, "FDA_Category_X_Top_Rank": -0.0829079, "FDA_Category_D_and_X_L1000_Similarity": 0.724864, "FDA_Category_D_and_X_Structural_Similarity": -0.709179, "FDA_Category_D_and_X_Weighted_Contribution": -0.39168, "FDA_Category_D_and_X_Top_Rank": -0.0804818, "Placenta_Crossing_L1000_Similarity": -0.676249, "Placenta_Crossing_Structural_Similarity": -1.05452, "Placenta_Crossing_Weighted_Contribution": -1.13012, "Placenta_Crossing_Top_Rank": -0.091258, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC(=CC=C4)F)C5=CC=CC=C5N2)C", "InChI_key": "ANIBZVAFEQDQJF-SFHVURJKSA-N" } }, "CID:24747274": { "type": "Drug", "properties": { "id": "CID:24747274", "label": "jas07-003", "lsm": "LSM-2643", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747274", "FDA_Category_D_L1000_Similarity": -1.10695, "FDA_Category_D_Structural_Similarity": -0.457891, "FDA_Category_D_Weighted_Contribution": -0.96069, "FDA_Category_D_Top_Rank": -0.0936291, "FDA_Category_X_L1000_Similarity": 0.11464, "FDA_Category_X_Structural_Similarity": -0.661122, "FDA_Category_X_Weighted_Contribution": -0.644584, "FDA_Category_X_Top_Rank": -0.0867437, "FDA_Category_D_and_X_L1000_Similarity": -0.919392, "FDA_Category_D_and_X_Structural_Similarity": -0.720173, "FDA_Category_D_and_X_Weighted_Contribution": -1.03313, "FDA_Category_D_and_X_Top_Rank": -0.0955403, "Placenta_Crossing_L1000_Similarity": -0.943277, "Placenta_Crossing_Structural_Similarity": -1.0669, "Placenta_Crossing_Weighted_Contribution": -1.20514, "Placenta_Crossing_Top_Rank": -0.0917323, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)CN2C(=O)C3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45", "InChI_key": "ALDXEYSYIRNXBH-IBGZPJMESA-N" } }, "CID:24748204": { "type": "Drug", "properties": { "id": "CID:24748204", "label": "mk-5108", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24748204", "FDA_Category_D_L1000_Similarity": 0.325441, "FDA_Category_D_Structural_Similarity": -0.312139, "FDA_Category_D_Weighted_Contribution": -0.222724, "FDA_Category_D_Top_Rank": -0.088434, "FDA_Category_X_L1000_Similarity": 1.72499, "FDA_Category_X_Structural_Similarity": 2.11138, "FDA_Category_X_Weighted_Contribution": 3.01363, "FDA_Category_X_Top_Rank": 0.0542631, "FDA_Category_D_and_X_L1000_Similarity": 0.804382, "FDA_Category_D_and_X_Structural_Similarity": 0.891541, "FDA_Category_D_and_X_Weighted_Contribution": 1.22242, "FDA_Category_D_and_X_Top_Rank": -0.0586016, "Placenta_Crossing_L1000_Similarity": 1.40138, "Placenta_Crossing_Structural_Similarity": -1.00168, "Placenta_Crossing_Weighted_Contribution": -0.385114, "Placenta_Crossing_Top_Rank": -0.0480029, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "OC(=O)[C@]1(CC[C@@H](CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3", "InChI_key": "LCVIRAZGMYMNNT-VVONHTQRSA-N" } }, "CID:24753719": { "type": "Drug", "properties": { "id": "CID:24753719", "label": "brd-k88742110", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24753719", "FDA_Category_D_L1000_Similarity": -0.0326544, "FDA_Category_D_Structural_Similarity": 0.823783, "FDA_Category_D_Weighted_Contribution": 0.690632, "FDA_Category_D_Top_Rank": -0.0596288, "FDA_Category_X_L1000_Similarity": 0.244286, "FDA_Category_X_Structural_Similarity": 0.20863, "FDA_Category_X_Weighted_Contribution": 0.205056, "FDA_Category_X_Top_Rank": -0.072965, "FDA_Category_D_and_X_L1000_Similarity": 0.0460254, "FDA_Category_D_and_X_Structural_Similarity": 0.766423, "FDA_Category_D_and_X_Weighted_Contribution": 0.638351, "FDA_Category_D_and_X_Top_Rank": -0.0648151, "Placenta_Crossing_L1000_Similarity": -0.188245, "Placenta_Crossing_Structural_Similarity": 1.62797, "Placenta_Crossing_Weighted_Contribution": 1.43826, "Placenta_Crossing_Top_Rank": -0.0104239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO", "InChI_key": "AJRGHIGYPXNABY-UHFFFAOYSA-N" } }, "CID:2477": { "type": "Drug", "properties": { "id": "CID:2477", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2477", "label": "buspirone", "ref": "LSM-4105", "FDA_Category_D_L1000_Similarity": 0.99488, "FDA_Category_D_Structural_Similarity": -0.364422, "FDA_Category_D_Weighted_Contribution": 0.0917731, "FDA_Category_D_Top_Rank": -0.0655753, "FDA_Category_X_L1000_Similarity": 1.91271, "FDA_Category_X_Structural_Similarity": -0.273909, "FDA_Category_X_Weighted_Contribution": 0.579186, "FDA_Category_X_Top_Rank": -0.00297109, "FDA_Category_D_and_X_L1000_Similarity": 1.43846, "FDA_Category_D_and_X_Structural_Similarity": -0.437046, "FDA_Category_D_and_X_Weighted_Contribution": 0.211493, "FDA_Category_D_and_X_Top_Rank": -0.0318044, "Placenta_Crossing_L1000_Similarity": 1.41529, "Placenta_Crossing_Structural_Similarity": -0.822428, "Placenta_Crossing_Weighted_Contribution": -0.227044, "Placenta_Crossing_Top_Rank": -0.0470983, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4", "InChI_key": "QWCRAEMEVRGPNT-UHFFFAOYSA-N" } }, "CID:24780598": { "type": "Drug", "properties": { "id": "CID:24780598", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24780598", "label": "danirixin", "FDA_Category_D_L1000_Similarity": -0.0297952, "FDA_Category_D_Structural_Similarity": 0.881915, "FDA_Category_D_Weighted_Contribution": 0.754596, "FDA_Category_D_Top_Rank": -0.0568222, "FDA_Category_X_L1000_Similarity": 0.125169, "FDA_Category_X_Structural_Similarity": -0.57976, "FDA_Category_X_Weighted_Contribution": -0.576002, "FDA_Category_X_Top_Rank": -0.0866429, "FDA_Category_D_and_X_L1000_Similarity": 0.0123312, "FDA_Category_D_and_X_Structural_Similarity": 0.387151, "FDA_Category_D_and_X_Weighted_Contribution": 0.235639, "FDA_Category_D_and_X_Top_Rank": -0.0771673, "Placenta_Crossing_L1000_Similarity": -0.14583, "Placenta_Crossing_Structural_Similarity": 0.894874, "Placenta_Crossing_Weighted_Contribution": 0.673912, "Placenta_Crossing_Top_Rank": -0.0553516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3CCCNC3)O", "InChI_key": "NGYNBSHYFOFVLS-LBPRGKRZSA-N" } }, "CID:2484": { "type": "Drug", "properties": { "id": "CID:2484", "label": "butenafine", "lsm": "LSM-5956", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2484", "IDG_ID": "444", "FDA_Category_D_L1000_Similarity": -0.0930442, "FDA_Category_D_Structural_Similarity": -0.339829, "FDA_Category_D_Weighted_Contribution": -0.453938, "FDA_Category_D_Top_Rank": -0.0920652, "FDA_Category_X_L1000_Similarity": -0.631277, "FDA_Category_X_Structural_Similarity": -0.0427497, "FDA_Category_X_Weighted_Contribution": -0.44491, "FDA_Category_X_Top_Rank": -0.0807847, "FDA_Category_D_and_X_L1000_Similarity": -0.271904, "FDA_Category_D_and_X_Structural_Similarity": -0.292795, "FDA_Category_D_and_X_Weighted_Contribution": -0.504867, "FDA_Category_D_and_X_Top_Rank": -0.0916142, "Placenta_Crossing_L1000_Similarity": 0.109874, "Placenta_Crossing_Structural_Similarity": -0.891098, "Placenta_Crossing_Weighted_Contribution": -0.793347, "Placenta_Crossing_Top_Rank": -0.0874584, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32", "InChI_key": "ABJKWBDEJIDSJZ-UHFFFAOYSA-N" } }, "CID:24855958": { "type": "Drug", "properties": { "id": "CID:24855958", "label": "TCS-2002", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24855958", "FDA_Category_D_L1000_Similarity": 0.538217, "FDA_Category_D_Structural_Similarity": -0.00726421, "FDA_Category_D_Weighted_Contribution": 0.179297, "FDA_Category_D_Top_Rank": -0.0843103, "FDA_Category_X_L1000_Similarity": 1.02926, "FDA_Category_X_Structural_Similarity": 0.857411, "FDA_Category_X_Weighted_Contribution": 1.35546, "FDA_Category_X_Top_Rank": -0.0473146, "FDA_Category_D_and_X_L1000_Similarity": 0.776519, "FDA_Category_D_and_X_Structural_Similarity": 0.45689, "FDA_Category_D_and_X_Weighted_Contribution": 0.742878, "FDA_Category_D_and_X_Top_Rank": -0.0752779, "Placenta_Crossing_L1000_Similarity": 1.42488, "Placenta_Crossing_Structural_Similarity": -0.425803, "Placenta_Crossing_Weighted_Contribution": 0.142788, "Placenta_Crossing_Top_Rank": -0.046609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24856041": { "type": "Drug", "properties": { "id": "CID:24856041", "label": "AMG-900", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24856041", "FDA_Category_D_L1000_Similarity": 0.0499108, "FDA_Category_D_Structural_Similarity": -0.740761, "FDA_Category_D_Weighted_Contribution": -0.697216, "FDA_Category_D_Top_Rank": -0.0917516, "FDA_Category_X_L1000_Similarity": -0.115644, "FDA_Category_X_Structural_Similarity": -0.201647, "FDA_Category_X_Weighted_Contribution": -0.359263, "FDA_Category_X_Top_Rank": -0.0846135, "FDA_Category_D_and_X_L1000_Similarity": 0.00790608, "FDA_Category_D_and_X_Structural_Similarity": -0.69676, "FDA_Category_D_and_X_Weighted_Contribution": -0.688271, "FDA_Category_D_and_X_Top_Rank": -0.0921249, "Placenta_Crossing_L1000_Similarity": -0.402117, "Placenta_Crossing_Structural_Similarity": 0.268457, "Placenta_Crossing_Weighted_Contribution": -0.0760926, "Placenta_Crossing_Top_Rank": -0.0758953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24857286": { "type": "Drug", "properties": { "id": "CID:24857286", "label": "fasiglifam", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24857286", "FDA_Category_D_L1000_Similarity": 0.0213067, "FDA_Category_D_Structural_Similarity": -0.207456, "FDA_Category_D_Weighted_Contribution": -0.286905, "FDA_Category_D_Top_Rank": -0.0896677, "FDA_Category_X_L1000_Similarity": 0.0970665, "FDA_Category_X_Structural_Similarity": 0.173984, "FDA_Category_X_Weighted_Contribution": 0.0950768, "FDA_Category_X_Top_Rank": -0.0742137, "FDA_Category_D_and_X_L1000_Similarity": 0.0478429, "FDA_Category_D_and_X_Structural_Similarity": -0.0707797, "FDA_Category_D_and_X_Weighted_Contribution": -0.172232, "FDA_Category_D_and_X_Top_Rank": -0.0877397, "Placenta_Crossing_L1000_Similarity": -0.307933, "Placenta_Crossing_Structural_Similarity": -0.564775, "Placenta_Crossing_Weighted_Contribution": -0.714397, "Placenta_Crossing_Top_Rank": -0.0900781, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCCCS(=O)(=O)C", "InChI_key": "BZCALJIHZVNMGJ-HSZRJFAPSA-N" } }, "CID:24868316": { "type": "Drug", "properties": { "id": "CID:24868316", "label": "way-213613", "lsm": "LSM-1382", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24868316", "FDA_Category_D_L1000_Similarity": 0.550925, "FDA_Category_D_Structural_Similarity": -0.176516, "FDA_Category_D_Weighted_Contribution": 0.0227674, "FDA_Category_D_Top_Rank": -0.0839328, "FDA_Category_X_L1000_Similarity": -0.223098, "FDA_Category_X_Structural_Similarity": -0.47406, "FDA_Category_X_Weighted_Contribution": -0.63047, "FDA_Category_X_Top_Rank": -0.0889141, "FDA_Category_D_and_X_L1000_Similarity": 0.407148, "FDA_Category_D_and_X_Structural_Similarity": -0.395904, "FDA_Category_D_and_X_Weighted_Contribution": -0.279246, "FDA_Category_D_and_X_Top_Rank": -0.0873421, "Placenta_Crossing_L1000_Similarity": 0.653189, "Placenta_Crossing_Structural_Similarity": -0.181093, "Placenta_Crossing_Weighted_Contribution": 0.00323957, "Placenta_Crossing_Top_Rank": -0.0799459, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1NC(=O)CC(C(=O)O)N)OC2=CC(=C(C=C2Br)F)F", "InChI_key": "BNYDDAAZMBUFRG-UHFFFAOYSA-N" } }, "CID:24995524": { "type": "Drug", "properties": { "id": "CID:24995524", "label": "sns-314", "lsm": "LSM-5795", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24995524", "FDA_Category_D_L1000_Similarity": -0.456935, "FDA_Category_D_Structural_Similarity": -0.323956, "FDA_Category_D_Weighted_Contribution": -0.608483, "FDA_Category_D_Top_Rank": -0.0917808, "FDA_Category_X_L1000_Similarity": -1.10914, "FDA_Category_X_Structural_Similarity": -0.615017, "FDA_Category_X_Weighted_Contribution": -1.03926, "FDA_Category_X_Top_Rank": -0.0912243, "FDA_Category_D_and_X_L1000_Similarity": -0.730719, "FDA_Category_D_and_X_Structural_Similarity": -0.588989, "FDA_Category_D_and_X_Weighted_Contribution": -0.892439, "FDA_Category_D_and_X_Top_Rank": -0.094724, "Placenta_Crossing_L1000_Similarity": -0.388127, "Placenta_Crossing_Structural_Similarity": 0.00776776, "Placenta_Crossing_Weighted_Contribution": -0.300023, "Placenta_Crossing_Top_Rank": -0.0821818, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(S2)CCNC3=NC=NC4=C3SC=C4", "InChI_key": "FAYAUAZLLLJJGH-UHFFFAOYSA-N" } }, "CID:25044703": { "type": "Drug", "properties": { "id": "CID:25044703", "label": "tmi-15", "lsm": "LSM-4566", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25044703", "FDA_Category_D_L1000_Similarity": -0.409343, "FDA_Category_D_Structural_Similarity": -0.422376, "FDA_Category_D_Weighted_Contribution": -0.661138, "FDA_Category_D_Top_Rank": -0.0931984, "FDA_Category_X_L1000_Similarity": 1.94088, "FDA_Category_X_Structural_Similarity": -0.0722073, "FDA_Category_X_Weighted_Contribution": 0.81807, "FDA_Category_X_Top_Rank": 0.00129128, "FDA_Category_D_and_X_L1000_Similarity": 0.236551, "FDA_Category_D_and_X_Structural_Similarity": -0.374208, "FDA_Category_D_and_X_Weighted_Contribution": -0.341335, "FDA_Category_D_and_X_Top_Rank": -0.0897794, "Placenta_Crossing_L1000_Similarity": 0.267354, "Placenta_Crossing_Structural_Similarity": -0.967331, "Placenta_Crossing_Weighted_Contribution": -0.790878, "Placenta_Crossing_Top_Rank": -0.0860225, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)F)S(=O)(=O)NC2CCN(C2)CC3=CC4=C(C=C3)NC=C4", "InChI_key": "APIXJNPBVWBSKY-GOSISDBHSA-N" } }, "CID:25066467": { "type": "Drug", "properties": { "id": "CID:25066467", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25066467", "label": "rebastinib", "FDA_Category_D_L1000_Similarity": 1.00933, "FDA_Category_D_Structural_Similarity": 0.664412, "FDA_Category_D_Weighted_Contribution": 1.1795, "FDA_Category_D_Top_Rank": -0.0648236, "FDA_Category_X_L1000_Similarity": -0.97677, "FDA_Category_X_Structural_Similarity": 1.93564, "FDA_Category_X_Weighted_Contribution": 1.44031, "FDA_Category_X_Top_Rank": 0.032937, "FDA_Category_D_and_X_L1000_Similarity": 0.57343, "FDA_Category_D_and_X_Structural_Similarity": 1.57181, "FDA_Category_D_and_X_Weighted_Contribution": 1.80491, "FDA_Category_D_and_X_Top_Rank": -0.00829334, "Placenta_Crossing_L1000_Similarity": 0.0660452, "Placenta_Crossing_Structural_Similarity": -0.499604, "Placenta_Crossing_Weighted_Contribution": -0.525443, "Placenta_Crossing_Top_Rank": -0.0878241, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5", "InChI_key": "WVXNSAVVKYZVOE-UHFFFAOYSA-N" } }, "CID:25166913": { "type": "Drug", "properties": { "id": "CID:25166913", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25166913", "label": "glasdegib", "FDA_Category_D_L1000_Similarity": 0.848421, "FDA_Category_D_Structural_Similarity": -0.890943, "FDA_Category_D_Weighted_Contribution": -0.453781, "FDA_Category_D_Top_Rank": -0.0738786, "FDA_Category_X_L1000_Similarity": 0.901344, "FDA_Category_X_Structural_Similarity": -0.425764, "FDA_Category_X_Weighted_Contribution": -0.0981269, "FDA_Category_X_Top_Rank": -0.0743688, "FDA_Category_D_and_X_L1000_Similarity": 1.00508, "FDA_Category_D_and_X_Structural_Similarity": -0.936894, "FDA_Category_D_and_X_Weighted_Contribution": -0.448517, "FDA_Category_D_and_X_Top_Rank": -0.0688043, "Placenta_Crossing_L1000_Similarity": 0.643665, "Placenta_Crossing_Structural_Similarity": -0.99131, "Placenta_Crossing_Weighted_Contribution": -0.674265, "Placenta_Crossing_Top_Rank": -0.0800945, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N", "InChI_key": "SFNSLLSYNZWZQG-VQIMIIECSA-N" } }, "CID:25182616": { "type": "Drug", "properties": { "id": "CID:25182616", "label": "GSK-1838705A", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25182616", "FDA_Category_D_L1000_Similarity": 0.770196, "FDA_Category_D_Structural_Similarity": 1.40922, "FDA_Category_D_Weighted_Contribution": 1.83463, "FDA_Category_D_Top_Rank": -0.0257412, "FDA_Category_X_L1000_Similarity": 1.8448, "FDA_Category_X_Structural_Similarity": -0.106533, "FDA_Category_X_Weighted_Contribution": 0.726161, "FDA_Category_X_Top_Rank": -0.0139428, "FDA_Category_D_and_X_L1000_Similarity": 1.22414, "FDA_Category_D_and_X_Structural_Similarity": 1.06103, "FDA_Category_D_and_X_Weighted_Contribution": 1.65289, "FDA_Category_D_and_X_Top_Rank": -0.0492302, "Placenta_Crossing_L1000_Similarity": 1.10611, "Placenta_Crossing_Structural_Similarity": 0.265813, "Placenta_Crossing_Weighted_Contribution": 0.680291, "Placenta_Crossing_Top_Rank": -0.0663616, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25199517": { "type": "Drug", "properties": { "id": "CID:25199517", "label": "WAY-262611", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25199517", "FDA_Category_D_L1000_Similarity": -1.85126, "FDA_Category_D_Structural_Similarity": -0.523295, "FDA_Category_D_Weighted_Contribution": -1.23537, "FDA_Category_D_Top_Rank": -0.0943552, "FDA_Category_X_L1000_Similarity": -0.55213, "FDA_Category_X_Structural_Similarity": -0.697708, "FDA_Category_X_Weighted_Contribution": -0.913059, "FDA_Category_X_Top_Rank": -0.0901962, "FDA_Category_D_and_X_L1000_Similarity": -1.76348, "FDA_Category_D_and_X_Structural_Similarity": -0.791827, "FDA_Category_D_and_X_Weighted_Contribution": -1.30312, "FDA_Category_D_and_X_Top_Rank": -0.0959121, "Placenta_Crossing_L1000_Similarity": -1.84454, "Placenta_Crossing_Structural_Similarity": -0.953908, "Placenta_Crossing_Weighted_Contribution": -1.35986, "Placenta_Crossing_Top_Rank": -0.0923276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25295": { "type": "Drug", "properties": { "id": "CID:25295", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25295", "label": "chloropyramine", "FDA_Category_D_L1000_Similarity": -1.04961, "FDA_Category_D_Structural_Similarity": -0.102021, "FDA_Category_D_Weighted_Contribution": -0.700915, "FDA_Category_D_Top_Rank": -0.0875907, "FDA_Category_X_L1000_Similarity": 0.780937, "FDA_Category_X_Structural_Similarity": -0.616793, "FDA_Category_X_Weighted_Contribution": -0.329685, "FDA_Category_X_Top_Rank": -0.0773794, "FDA_Category_D_and_X_L1000_Similarity": -0.667629, "FDA_Category_D_and_X_Structural_Similarity": -0.413794, "FDA_Category_D_and_X_Weighted_Contribution": -0.754821, "FDA_Category_D_and_X_Top_Rank": -0.0931125, "Placenta_Crossing_L1000_Similarity": -0.418184, "Placenta_Crossing_Structural_Similarity": -0.600393, "Placenta_Crossing_Weighted_Contribution": -0.777883, "Placenta_Crossing_Top_Rank": -0.090517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2", "InChI_key": "ICKFFNBDFNZJSX-UHFFFAOYSA-N" } }, "CID:253078": { "type": "Drug", "properties": { "id": "CID:253078", "label": "gant-58", "lsm": "LSM-4911", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/253078", "FDA_Category_D_L1000_Similarity": 2.00882, "FDA_Category_D_Structural_Similarity": -0.946699, "FDA_Category_D_Weighted_Contribution": 0.102861, "FDA_Category_D_Top_Rank": 0.205598, "FDA_Category_X_L1000_Similarity": 2.62759, "FDA_Category_X_Structural_Similarity": -0.708051, "FDA_Category_X_Weighted_Contribution": 0.496164, "FDA_Category_X_Top_Rank": 0.240738, "FDA_Category_D_and_X_L1000_Similarity": 2.52957, "FDA_Category_D_and_X_Structural_Similarity": -1.13347, "FDA_Category_D_and_X_Weighted_Contribution": 0.129722, "FDA_Category_D_and_X_Top_Rank": 0.542107, "Placenta_Crossing_L1000_Similarity": 2.33121, "Placenta_Crossing_Structural_Similarity": -1.02111, "Placenta_Crossing_Weighted_Contribution": 0.0137731, "Placenta_Crossing_Top_Rank": 0.172413, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=CC=C1C2=C(SC(=C2C3=CC=NC=C3)C4=CC=NC=C4)C5=CC=NC=C5", "InChI_key": "USWLOKMMUTWFMD-UHFFFAOYSA-N" } }, "CID:2531": { "type": "Drug", "properties": { "id": "CID:2531", "label": "calmidazolium", "lsm": "LSM-5017", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2531", "FDA_Category_D_L1000_Similarity": -3.12849, "FDA_Category_D_Structural_Similarity": -0.1588, "FDA_Category_D_Weighted_Contribution": -1.40433, "FDA_Category_D_Top_Rank": -0.0886963, "FDA_Category_X_L1000_Similarity": -0.864969, "FDA_Category_X_Structural_Similarity": 0.0639017, "FDA_Category_X_Weighted_Contribution": -0.453641, "FDA_Category_X_Top_Rank": -0.0781832, "FDA_Category_D_and_X_L1000_Similarity": -2.95949, "FDA_Category_D_and_X_Structural_Similarity": -0.0915605, "FDA_Category_D_and_X_Weighted_Contribution": -1.29015, "FDA_Category_D_and_X_Top_Rank": -0.0881292, "Placenta_Crossing_L1000_Similarity": -2.91479, "Placenta_Crossing_Structural_Similarity": -0.368958, "Placenta_Crossing_Weighted_Contribution": -1.34241, "Placenta_Crossing_Top_Rank": -0.0883504, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl", "InChI_key": "CTKNMSVWMRRCPW-UHFFFAOYSA-N" } }, "CID:2551": { "type": "Drug", "properties": { "id": "CID:2551", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2551", "label": "carbamoylcholine", "FDA_Category_D_L1000_Similarity": 0.992122, "FDA_Category_D_Structural_Similarity": -0.328683, "FDA_Category_D_Weighted_Contribution": 0.124849, "FDA_Category_D_Top_Rank": -0.0656488, "FDA_Category_X_L1000_Similarity": 0.687825, "FDA_Category_X_Structural_Similarity": -0.620651, "FDA_Category_X_Weighted_Contribution": -0.374099, "FDA_Category_X_Top_Rank": -0.0793833, "FDA_Category_D_and_X_L1000_Similarity": 1.0641, "FDA_Category_D_and_X_Structural_Similarity": -0.595781, "FDA_Category_D_and_X_Weighted_Contribution": -0.132647, "FDA_Category_D_and_X_Top_Rank": -0.065243, "Placenta_Crossing_L1000_Similarity": 0.085248, "Placenta_Crossing_Structural_Similarity": 0.2983, "Placenta_Crossing_Weighted_Contribution": 0.186006, "Placenta_Crossing_Top_Rank": -0.0750667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+](C)(C)CCOC(=O)N", "InChI_key": "VPJXQGSRWJZDOB-UHFFFAOYSA-O" } }, "CID:2576": { "type": "Drug", "properties": { "id": "CID:2576", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2576", "label": "carisoprodol", "FDA_Category_D_L1000_Similarity": 0.524362, "FDA_Category_D_Structural_Similarity": -0.710502, "FDA_Category_D_Weighted_Contribution": -0.461329, "FDA_Category_D_Top_Rank": -0.0846911, "FDA_Category_X_L1000_Similarity": 1.0328, "FDA_Category_X_Structural_Similarity": -0.206791, "FDA_Category_X_Weighted_Contribution": 0.183686, "FDA_Category_X_Top_Rank": -0.0704387, "FDA_Category_D_and_X_L1000_Similarity": 0.765654, "FDA_Category_D_and_X_Structural_Similarity": -0.675519, "FDA_Category_D_and_X_Weighted_Contribution": -0.345245, "FDA_Category_D_and_X_Top_Rank": -0.0789481, "Placenta_Crossing_L1000_Similarity": 0.722519, "Placenta_Crossing_Structural_Similarity": -0.674205, "Placenta_Crossing_Weighted_Contribution": -0.399016, "Placenta_Crossing_Top_Rank": -0.0783453, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(C)(COC(=O)N)COC(=O)NC(C)C", "InChI_key": "OFZCIYFFPZCNJE-UHFFFAOYSA-N" } }, "CID:2577": { "type": "Drug", "properties": { "id": "CID:2577", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2577", "label": "carmofur", "FDA_Category_D_L1000_Similarity": 0.805634, "FDA_Category_D_Structural_Similarity": 0.579256, "FDA_Category_D_Weighted_Contribution": 0.956238, "FDA_Category_D_Top_Rank": -0.0680958, "FDA_Category_X_L1000_Similarity": -1.89113, "FDA_Category_X_Structural_Similarity": 0.0592737, "FDA_Category_X_Weighted_Contribution": -0.853588, "FDA_Category_X_Top_Rank": -0.0783336, "FDA_Category_D_and_X_L1000_Similarity": 0.12017, "FDA_Category_D_and_X_Structural_Similarity": 0.491747, "FDA_Category_D_and_X_Weighted_Contribution": 0.399509, "FDA_Category_D_and_X_Top_Rank": -0.0741315, "Placenta_Crossing_L1000_Similarity": -0.745426, "Placenta_Crossing_Structural_Similarity": -0.422838, "Placenta_Crossing_Weighted_Contribution": -0.770006, "Placenta_Crossing_Top_Rank": -0.08894, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F", "InChI_key": "AOCCBINRVIKJHY-UHFFFAOYSA-N" } }, "CID:2578": { "type": "Drug", "properties": { "id": "CID:2578", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2578", "label": "carmustine", "FDA_Category_D_L1000_Similarity": 1.09117, "FDA_Category_D_Structural_Similarity": 2.37266, "FDA_Category_D_Weighted_Contribution": 2.92275, "FDA_Category_D_Top_Rank": 0.113561, "FDA_Category_X_L1000_Similarity": 1.42112, "FDA_Category_X_Structural_Similarity": 2.13328, "FDA_Category_X_Weighted_Contribution": 2.89997, "FDA_Category_X_Top_Rank": 0.0568727, "FDA_Category_D_and_X_L1000_Similarity": 1.37217, "FDA_Category_D_and_X_Structural_Similarity": 3.03432, "FDA_Category_D_and_X_Weighted_Contribution": 3.38012, "FDA_Category_D_and_X_Top_Rank": 0.21773, "Placenta_Crossing_L1000_Similarity": 0.417107, "Placenta_Crossing_Structural_Similarity": 0.709387, "Placenta_Crossing_Weighted_Contribution": 0.779826, "Placenta_Crossing_Top_Rank": -0.0627727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CCl)NC(=O)N(CCCl)N=O", "InChI_key": "DLGOEMSEDOSKAD-UHFFFAOYSA-N" } }, "CID:2603": { "type": "Drug", "properties": { "id": "CID:2603", "label": "cccp", "lsm": "LSM-2341", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2603", "FDA_Category_D_L1000_Similarity": -1.49245, "FDA_Category_D_Structural_Similarity": -0.559152, "FDA_Category_D_Weighted_Contribution": -1.14716, "FDA_Category_D_Top_Rank": -0.0946869, "FDA_Category_X_L1000_Similarity": -2.53359, "FDA_Category_X_Structural_Similarity": 2.95412, "FDA_Category_X_Weighted_Contribution": 1.71162, "FDA_Category_X_Top_Rank": 0.209947, "FDA_Category_D_and_X_L1000_Similarity": -2.05593, "FDA_Category_D_and_X_Structural_Similarity": 1.15023, "FDA_Category_D_and_X_Weighted_Contribution": -0.135298, "FDA_Category_D_and_X_Top_Rank": -0.0426663, "Placenta_Crossing_L1000_Similarity": -2.41787, "Placenta_Crossing_Structural_Similarity": -0.741357, "Placenta_Crossing_Weighted_Contribution": -1.39139, "Placenta_Crossing_Top_Rank": -0.091458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)Cl)NN=C(C#N)C#N", "InChI_key": "UGTJLJZQQFGTJD-UHFFFAOYSA-N" } }, "CID:264": { "type": "Drug", "properties": { "id": "CID:264", "label": "butyric acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/264", "FDA_Category_D_L1000_Similarity": -0.0195641, "FDA_Category_D_Structural_Similarity": -0.915979, "FDA_Category_D_Weighted_Contribution": -0.84672, "FDA_Category_D_Top_Rank": -0.0923458, "FDA_Category_X_L1000_Similarity": 1.09133, "FDA_Category_X_Structural_Similarity": -0.710273, "FDA_Category_X_Weighted_Contribution": -0.274282, "FDA_Category_X_Top_Rank": -0.0684289, "FDA_Category_D_and_X_L1000_Similarity": 0.314552, "FDA_Category_D_and_X_Structural_Similarity": -1.11028, "FDA_Category_D_and_X_Weighted_Contribution": -0.851463, "FDA_Category_D_and_X_Top_Rank": -0.0887314, "Placenta_Crossing_L1000_Similarity": 0.0979692, "Placenta_Crossing_Structural_Similarity": -1.03697, "Placenta_Crossing_Weighted_Contribution": -0.892661, "Placenta_Crossing_Top_Rank": -0.0875888, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(=O)O", "InChI_key": "FERIUCNNQQJTOY-UHFFFAOYSA-N" } }, "CID:2678": { "type": "Drug", "properties": { "id": "CID:2678", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2678", "label": "cetirizine", "ref": "LSM-1544", "FDA_Category_D_L1000_Similarity": 0.434706, "FDA_Category_D_Structural_Similarity": -0.699445, "FDA_Category_D_Weighted_Contribution": -0.494596, "FDA_Category_D_Top_Rank": -0.0865543, "FDA_Category_X_L1000_Similarity": 0.170608, "FDA_Category_X_Structural_Similarity": -0.457131, "FDA_Category_X_Weighted_Contribution": -0.456032, "FDA_Category_X_Top_Rank": -0.0862187, "FDA_Category_D_and_X_L1000_Similarity": 0.426531, "FDA_Category_D_and_X_Structural_Similarity": -0.801825, "FDA_Category_D_and_X_Weighted_Contribution": -0.594161, "FDA_Category_D_and_X_Top_Rank": -0.0870802, "Placenta_Crossing_L1000_Similarity": 1.17342, "Placenta_Crossing_Structural_Similarity": -0.754728, "Placenta_Crossing_Weighted_Contribution": -0.27465, "Placenta_Crossing_Top_Rank": -0.0631194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "InChI_key": "ZKLPARSLTMPFCP-UHFFFAOYSA-N" } }, "CID:2685": { "type": "Drug", "properties": { "id": "CID:2685", "label": "cgp-20712", "lsm": "LSM-1454", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2685", "FDA_Category_D_L1000_Similarity": -0.0459835, "FDA_Category_D_Structural_Similarity": -0.0587009, "FDA_Category_D_Weighted_Contribution": -0.190798, "FDA_Category_D_Top_Rank": -0.0865304, "FDA_Category_X_L1000_Similarity": 1.24485, "FDA_Category_X_Structural_Similarity": 1.33362, "FDA_Category_X_Weighted_Contribution": 2.01142, "FDA_Category_X_Top_Rank": -0.018849, "FDA_Category_D_and_X_L1000_Similarity": 0.338392, "FDA_Category_D_and_X_Structural_Similarity": 0.673027, "FDA_Category_D_and_X_Weighted_Contribution": 0.711958, "FDA_Category_D_and_X_Top_Rank": -0.0681595, "Placenta_Crossing_L1000_Similarity": -0.362865, "Placenta_Crossing_Structural_Similarity": 3.10908, "Placenta_Crossing_Weighted_Contribution": 2.79553, "Placenta_Crossing_Top_Rank": 0.223982, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F", "InChI_key": "GKJZEKSHCJELPL-UHFFFAOYSA-N" } }, "CID:2710": { "type": "Drug", "properties": { "id": "CID:2710", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2710", "label": "chlorcyclizine", "FDA_Category_D_L1000_Similarity": 0.512884, "FDA_Category_D_Structural_Similarity": -0.523057, "FDA_Category_D_Weighted_Contribution": -0.310789, "FDA_Category_D_Top_Rank": -0.084994, "FDA_Category_X_L1000_Similarity": -1.39713, "FDA_Category_X_Structural_Similarity": -0.632706, "FDA_Category_X_Weighted_Contribution": -1.13537, "FDA_Category_X_Top_Rank": -0.0914052, "FDA_Category_D_and_X_L1000_Similarity": 0.017831, "FDA_Category_D_and_X_Structural_Similarity": -0.756563, "FDA_Category_D_and_X_Weighted_Contribution": -0.72629, "FDA_Category_D_and_X_Top_Rank": -0.0920349, "Placenta_Crossing_L1000_Similarity": -0.298243, "Placenta_Crossing_Structural_Similarity": -0.71166, "Placenta_Crossing_Weighted_Contribution": -0.811862, "Placenta_Crossing_Top_Rank": -0.0900364, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "InChI_key": "WFNAKBGANONZEQ-UHFFFAOYSA-N" } }, "CID:2713": { "type": "Drug", "properties": { "id": "CID:2713", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2713", "label": "chlorhexidine", "ref": "LSM-5633", "FDA_Category_D_L1000_Similarity": -2.24991, "FDA_Category_X_L1000_Similarity": -0.342946, "FDA_Category_D_and_X_L1000_Similarity": -2.0436, "Placenta_Crossing_L1000_Similarity": -1.85793, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl", "InChI_key": "GHXZTYHSJHQHIJ-UHFFFAOYSA-N" } }, "CID:2720": { "type": "Drug", "properties": { "id": "CID:2720", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2720", "label": "chlorothiazide", "ref": "LSM-5942", "FDA_Category_D_L1000_Similarity": -0.310966, "FDA_Category_D_Structural_Similarity": -0.326645, "FDA_Category_D_Weighted_Contribution": -0.544922, "FDA_Category_D_Top_Rank": -0.0918166, "FDA_Category_X_L1000_Similarity": -0.211116, "FDA_Category_X_Structural_Similarity": 1.40249, "FDA_Category_X_Weighted_Contribution": 1.26916, "FDA_Category_X_Top_Rank": -0.0145891, "FDA_Category_D_and_X_L1000_Similarity": -0.332165, "FDA_Category_D_and_X_Structural_Similarity": 0.497515, "FDA_Category_D_and_X_Weighted_Contribution": 0.1554, "FDA_Category_D_and_X_Top_Rank": -0.0739705, "Placenta_Crossing_L1000_Similarity": -0.0158607, "Placenta_Crossing_Structural_Similarity": -0.250744, "Placenta_Crossing_Weighted_Contribution": -0.358648, "Placenta_Crossing_Top_Rank": -0.0867188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2", "InChI_key": "JBMKAUGHUNFTOL-UHFFFAOYSA-N" } }, "CID:27200": { "type": "Drug", "properties": { "id": "CID:27200", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID27200", "label": "thiamphenicol", "FDA_Category_D_L1000_Similarity": -0.540336, "FDA_Category_D_Structural_Similarity": -0.901439, "FDA_Category_D_Weighted_Contribution": -1.02758, "FDA_Category_D_Top_Rank": -0.0952729, "FDA_Category_X_L1000_Similarity": -0.387632, "FDA_Category_X_Structural_Similarity": -0.615321, "FDA_Category_X_Weighted_Contribution": -0.798545, "FDA_Category_X_Top_Rank": -0.089624, "FDA_Category_D_and_X_L1000_Similarity": -0.583497, "FDA_Category_D_and_X_Structural_Similarity": -1.04751, "FDA_Category_D_and_X_Weighted_Contribution": -1.10891, "FDA_Category_D_and_X_Top_Rank": -0.0953524, "Placenta_Crossing_L1000_Similarity": -0.428591, "Placenta_Crossing_Structural_Similarity": 1.78612, "Placenta_Crossing_Weighted_Contribution": 1.4772, "Placenta_Crossing_Top_Rank": 0.00910994, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O", "InChI_key": "OTVAEFIXJLOWRX-NXEZZACHSA-N" } }, "CID:2722": { "type": "Drug", "properties": { "id": "CID:2722", "label": "chloroxine", "lsm": "LSM-2371", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2722", "FDA_Category_D_L1000_Similarity": -0.196907, "FDA_Category_D_Structural_Similarity": -0.637535, "FDA_Category_D_Weighted_Contribution": -0.726826, "FDA_Category_D_Top_Rank": -0.0936713, "FDA_Category_X_L1000_Similarity": -1.33769, "FDA_Category_X_Structural_Similarity": -0.701821, "FDA_Category_X_Weighted_Contribution": -1.15768, "FDA_Category_X_Top_Rank": -0.0916926, "FDA_Category_D_and_X_L1000_Similarity": -0.57597, "FDA_Category_D_and_X_Structural_Similarity": -0.88472, "FDA_Category_D_and_X_Weighted_Contribution": -1.01729, "FDA_Category_D_and_X_Top_Rank": -0.0953338, "Placenta_Crossing_L1000_Similarity": -1.61565, "Placenta_Crossing_Structural_Similarity": -0.913346, "Placenta_Crossing_Weighted_Contribution": -1.29279, "Placenta_Crossing_Top_Rank": -0.09221, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1", "InChI_key": "WDFKMLRRRCGAKS-UHFFFAOYSA-N" } }, "CID:2724": { "type": "Drug", "properties": { "id": "CID:2724", "label": "chlorphenesin carbamate", "lsm": "LSM-1516", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2724", "FDA_Category_D_L1000_Similarity": 1.13684, "FDA_Category_D_Structural_Similarity": -0.887683, "FDA_Category_D_Weighted_Contribution": -0.31014, "FDA_Category_D_Top_Rank": -0.0549169, "FDA_Category_X_L1000_Similarity": -1.42941, "FDA_Category_X_Structural_Similarity": -0.736609, "FDA_Category_X_Weighted_Contribution": -1.20213, "FDA_Category_X_Top_Rank": -0.0917876, "FDA_Category_D_and_X_L1000_Similarity": 0.545883, "FDA_Category_D_and_X_Structural_Similarity": -1.10204, "FDA_Category_D_and_X_Weighted_Contribution": -0.760261, "FDA_Category_D_and_X_Top_Rank": -0.084786, "Placenta_Crossing_L1000_Similarity": 1.23367, "Placenta_Crossing_Structural_Similarity": -0.954584, "Placenta_Crossing_Weighted_Contribution": -0.416219, "Placenta_Crossing_Top_Rank": -0.060032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1OCC(COC(=O)N)O)Cl", "InChI_key": "SKPLBLUECSEIFO-UHFFFAOYSA-N" } }, "CID:2724354": { "type": "Drug", "properties": { "id": "CID:2724354", "label": "succimer", "lsm": "LSM-4749", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2724354", "FDA_Category_D_L1000_Similarity": 0.548937, "FDA_Category_D_Structural_Similarity": -0.913759, "FDA_Category_D_Weighted_Contribution": -0.609072, "FDA_Category_D_Top_Rank": -0.0839712, "FDA_Category_X_L1000_Similarity": 0.543092, "FDA_Category_X_Structural_Similarity": -0.717867, "FDA_Category_X_Weighted_Contribution": -0.518148, "FDA_Category_X_Top_Rank": -0.0818996, "FDA_Category_D_and_X_L1000_Similarity": 0.638123, "FDA_Category_D_and_X_Structural_Similarity": -1.11262, "FDA_Category_D_and_X_Weighted_Contribution": -0.732066, "FDA_Category_D_and_X_Top_Rank": -0.0826603, "Placenta_Crossing_L1000_Similarity": 0.572255, "Placenta_Crossing_Structural_Similarity": 1.15976, "Placenta_Crossing_Weighted_Contribution": 1.34946, "Placenta_Crossing_Top_Rank": -0.0420978, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(C(=O)O)S)(C(=O)O)S", "InChI_key": "ACTRVOBWPAIOHC-XIXRPRMCSA-N" } }, "CID:2733529": { "type": "Drug", "properties": { "id": "CID:2733529", "label": "baccatin-iii", "lsm": "LSM-1856", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2733529", "FDA_Category_D_L1000_Similarity": -0.712504, "FDA_Category_D_Structural_Similarity": 3.90936, "FDA_Category_D_Weighted_Contribution": 3.27716, "FDA_Category_D_Top_Rank": 0.495031, "FDA_Category_X_L1000_Similarity": 0.980077, "FDA_Category_X_Structural_Similarity": 1.04308, "FDA_Category_X_Weighted_Contribution": 1.5389, "FDA_Category_X_Top_Rank": -0.0387351, "FDA_Category_D_and_X_L1000_Similarity": -0.316559, "FDA_Category_D_and_X_Structural_Similarity": 3.66575, "FDA_Category_D_and_X_Weighted_Contribution": 3.1851, "FDA_Category_D_and_X_Top_Rank": 0.495065, "Placenta_Crossing_L1000_Similarity": 0.480547, "Placenta_Crossing_Structural_Similarity": 0.599134, "Placenta_Crossing_Weighted_Contribution": 0.697127, "Placenta_Crossing_Top_Rank": -0.0666977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C", "InChI_key": "OVMSOCFBDVBLFW-IAGPSASASA-N" } }, "CID:27400": { "type": "Drug", "properties": { "id": "CID:27400", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID27400", "label": "pizotifen", "FDA_Category_D_L1000_Similarity": -0.0776617, "FDA_Category_D_Structural_Similarity": 1.52976, "FDA_Category_D_Weighted_Contribution": 1.42979, "FDA_Category_D_Top_Rank": -0.0141027, "FDA_Category_X_L1000_Similarity": -0.615292, "FDA_Category_X_Structural_Similarity": -0.701984, "FDA_Category_X_Weighted_Contribution": -0.936973, "FDA_Category_X_Top_Rank": -0.0904083, "FDA_Category_D_and_X_L1000_Similarity": -0.253801, "FDA_Category_D_and_X_Structural_Similarity": 0.835401, "FDA_Category_D_and_X_Weighted_Contribution": 0.535889, "FDA_Category_D_and_X_Top_Rank": -0.0619419, "Placenta_Crossing_L1000_Similarity": -0.970409, "Placenta_Crossing_Structural_Similarity": -0.795119, "Placenta_Crossing_Weighted_Contribution": -1.07066, "Placenta_Crossing_Top_Rank": -0.0917194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1", "InChI_key": "FIADGNVRKBPQEU-UHFFFAOYSA-N" } }, "CID:27447": { "type": "Drug", "properties": { "id": "CID:27447", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/27447", "label": "cephalexin", "ref": "LSM-5957", "FDA_Category_D_L1000_Similarity": -0.196149, "FDA_Category_D_Structural_Similarity": -0.322314, "FDA_Category_D_Weighted_Contribution": -0.488441, "FDA_Category_D_Top_Rank": -0.0917606, "FDA_Category_X_L1000_Similarity": 0.727601, "FDA_Category_X_Structural_Similarity": -0.537649, "FDA_Category_X_Weighted_Contribution": -0.282759, "FDA_Category_X_Top_Rank": -0.0785446, "FDA_Category_D_and_X_L1000_Similarity": 0.0518729, "FDA_Category_D_and_X_Structural_Similarity": -0.545938, "FDA_Category_D_and_X_Weighted_Contribution": -0.559756, "FDA_Category_D_and_X_Top_Rank": -0.0917313, "Placenta_Crossing_L1000_Similarity": 0.267639, "Placenta_Crossing_Structural_Similarity": 1.37312, "Placenta_Crossing_Weighted_Contribution": 1.41288, "Placenta_Crossing_Top_Rank": -0.028548, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O", "InChI_key": "ZAIPMKNFIOOWCQ-UEKVPHQBSA-N" } }, "CID:2752": { "type": "Drug", "properties": { "id": "CID:2752", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2752", "label": "cilnidipine", "FDA_Category_D_L1000_Similarity": -0.498537, "FDA_Category_D_Structural_Similarity": 3.59688, "FDA_Category_D_Weighted_Contribution": 3.14677, "FDA_Category_D_Top_Rank": 0.396204, "FDA_Category_X_L1000_Similarity": -0.459644, "FDA_Category_X_Structural_Similarity": 2.58872, "FDA_Category_X_Weighted_Contribution": 2.43595, "FDA_Category_X_Top_Rank": 0.125972, "FDA_Category_D_and_X_L1000_Similarity": -0.569332, "FDA_Category_D_and_X_Structural_Similarity": 4.25175, "FDA_Category_D_and_X_Weighted_Contribution": 3.45245, "FDA_Category_D_and_X_Top_Rank": 0.870149, "Placenta_Crossing_L1000_Similarity": -0.669273, "Placenta_Crossing_Structural_Similarity": 2.51045, "Placenta_Crossing_Weighted_Contribution": 2.10492, "Placenta_Crossing_Top_Rank": 0.0910017, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC", "InChI_key": "KJEBULYHNRNJTE-UHFFFAOYSA-N" } }, "CID:2753": { "type": "Drug", "properties": { "id": "CID:2753", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2753", "label": "cilostamide", "FDA_Category_D_L1000_Similarity": 0.729032, "FDA_Category_D_Structural_Similarity": -0.768804, "FDA_Category_D_Weighted_Contribution": -0.411053, "FDA_Category_D_Top_Rank": -0.0787064, "FDA_Category_X_L1000_Similarity": 1.00322, "FDA_Category_X_Structural_Similarity": -0.515042, "FDA_Category_X_Weighted_Contribution": -0.134503, "FDA_Category_X_Top_Rank": -0.071292, "FDA_Category_D_and_X_L1000_Similarity": 0.933106, "FDA_Category_D_and_X_Structural_Similarity": -0.888125, "FDA_Category_D_and_X_Weighted_Contribution": -0.441808, "FDA_Category_D_and_X_Top_Rank": -0.0726308, "Placenta_Crossing_L1000_Similarity": 1.22131, "Placenta_Crossing_Structural_Similarity": -0.465206, "Placenta_Crossing_Weighted_Contribution": 0.00707032, "Placenta_Crossing_Top_Rank": -0.0607756, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3", "InChI_key": "UIAYVIIHMORPSJ-UHFFFAOYSA-N" } }, "CID:275510": { "type": "Drug", "properties": { "id": "CID:275510", "label": "nsc-119889", "lsm": "LSM-3327", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/275510", "FDA_Category_D_L1000_Similarity": 0.722699, "FDA_Category_D_Structural_Similarity": -0.0917844, "FDA_Category_D_Weighted_Contribution": 0.202506, "FDA_Category_D_Top_Rank": -0.0789022, "FDA_Category_X_L1000_Similarity": -0.770518, "FDA_Category_X_Structural_Similarity": -0.629547, "FDA_Category_X_Weighted_Contribution": -0.940433, "FDA_Category_X_Top_Rank": -0.0908109, "FDA_Category_D_and_X_L1000_Similarity": 0.388981, "FDA_Category_D_and_X_Structural_Similarity": -0.412552, "FDA_Category_D_and_X_Weighted_Contribution": -0.301942, "FDA_Category_D_and_X_Top_Rank": -0.0876246, "Placenta_Crossing_L1000_Similarity": -0.183241, "Placenta_Crossing_Structural_Similarity": -0.326906, "Placenta_Crossing_Weighted_Contribution": -0.489254, "Placenta_Crossing_Top_Rank": -0.0878687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O", "InChI_key": "MQGBYISSPZLIEZ-UHFFFAOYSA-N" } }, "CID:2757979": { "type": "Drug", "properties": { "id": "CID:2757979", "label": "2-cyanopyrimidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2757979", "FDA_Category_D_L1000_Similarity": -0.389099, "FDA_Category_D_Structural_Similarity": -0.0664312, "FDA_Category_D_Weighted_Contribution": -0.371454, "FDA_Category_D_Top_Rank": -0.0867108, "FDA_Category_X_L1000_Similarity": -0.885783, "FDA_Category_X_Structural_Similarity": -0.604418, "FDA_Category_X_Weighted_Contribution": -0.96176, "FDA_Category_X_Top_Rank": -0.0910701, "FDA_Category_D_and_X_L1000_Similarity": -0.604401, "FDA_Category_D_and_X_Structural_Similarity": -0.378869, "FDA_Category_D_and_X_Weighted_Contribution": -0.706139, "FDA_Category_D_and_X_Top_Rank": -0.0927419, "Placenta_Crossing_L1000_Similarity": -0.0752211, "Placenta_Crossing_Structural_Similarity": -0.0314922, "Placenta_Crossing_Weighted_Contribution": -0.196531, "Placenta_Crossing_Top_Rank": -0.0829169, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2764": { "type": "Drug", "properties": { "id": "CID:2764", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2764", "label": "ciprofloxacin", "ref": "LSM-5226", "FDA_Category_D_L1000_Similarity": 1.05574, "FDA_Category_D_Structural_Similarity": 0.246596, "FDA_Category_D_Weighted_Contribution": 0.754976, "FDA_Category_D_Top_Rank": -0.061879, "FDA_Category_X_L1000_Similarity": 0.488095, "FDA_Category_X_Structural_Similarity": 0.616381, "FDA_Category_X_Weighted_Contribution": 0.775155, "FDA_Category_X_Top_Rank": -0.0569689, "FDA_Category_D_and_X_L1000_Similarity": 1.05829, "FDA_Category_D_and_X_Structural_Similarity": 0.528323, "FDA_Category_D_and_X_Weighted_Contribution": 0.986031, "FDA_Category_D_and_X_Top_Rank": -0.0655637, "Placenta_Crossing_L1000_Similarity": 1.65297, "Placenta_Crossing_Structural_Similarity": 0.187246, "Placenta_Crossing_Weighted_Contribution": 0.891722, "Placenta_Crossing_Top_Rank": -0.0221689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O", "InChI_key": "MYSWGUAQZAJSOK-UHFFFAOYSA-N" } }, "CID:27648": { "type": "Drug", "properties": { "id": "CID:27648", "label": "iocetamic acid", "lsm": "LSM-1498", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/27648", "FDA_Category_D_L1000_Similarity": 1.37874, "FDA_Category_D_Structural_Similarity": 1.0935, "FDA_Category_D_Weighted_Contribution": 1.87749, "FDA_Category_D_Top_Rank": -0.0276735, "FDA_Category_X_L1000_Similarity": -0.0106322, "FDA_Category_X_Structural_Similarity": -0.600936, "FDA_Category_X_Weighted_Contribution": -0.646531, "FDA_Category_X_Top_Rank": -0.0876586, "FDA_Category_D_and_X_L1000_Similarity": 1.18527, "FDA_Category_D_and_X_Structural_Similarity": 0.543662, "FDA_Category_D_and_X_Weighted_Contribution": 1.07851, "FDA_Category_D_and_X_Top_Rank": -0.055824, "Placenta_Crossing_L1000_Similarity": 1.00351, "Placenta_Crossing_Structural_Similarity": -0.0432819, "Placenta_Crossing_Weighted_Contribution": 0.30877, "Placenta_Crossing_Top_Rank": -0.0702847, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O", "InChI_key": "GSVQIUGOUKJHRC-UHFFFAOYSA-N" } }, "CID:2777391": { "type": "Drug", "properties": { "id": "CID:2777391", "label": "t-0070907", "lsm": "LSM-2690", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2777391", "FDA_Category_D_L1000_Similarity": -0.856426, "FDA_Category_D_Structural_Similarity": 0.250707, "FDA_Category_D_Weighted_Contribution": -0.334759, "FDA_Category_D_Top_Rank": -0.0784968, "FDA_Category_X_L1000_Similarity": -0.232265, "FDA_Category_X_Structural_Similarity": -0.55014, "FDA_Category_X_Weighted_Contribution": -0.692789, "FDA_Category_X_Top_Rank": -0.0889637, "FDA_Category_D_and_X_L1000_Similarity": -0.808787, "FDA_Category_D_and_X_Structural_Similarity": -0.0978639, "FDA_Category_D_and_X_Weighted_Contribution": -0.585602, "FDA_Category_D_and_X_Top_Rank": -0.0882483, "Placenta_Crossing_L1000_Similarity": -0.761877, "Placenta_Crossing_Structural_Similarity": 0.138929, "Placenta_Crossing_Weighted_Contribution": -0.349298, "Placenta_Crossing_Top_Rank": -0.0791383, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl", "InChI_key": "FRPJSHKMZHWJBE-UHFFFAOYSA-N" } }, "CID:27806705": { "type": "Drug", "properties": { "id": "CID:27806705", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID27806705", "label": "oxymetholone", "FDA_Category_D_L1000_Similarity": -1.42868, "FDA_Category_D_Structural_Similarity": -0.921604, "FDA_Category_D_Weighted_Contribution": -1.30583, "FDA_Category_D_Top_Rank": -0.0967012, "FDA_Category_X_L1000_Similarity": 0.140282, "FDA_Category_X_Structural_Similarity": 0.530632, "FDA_Category_X_Weighted_Contribution": 0.489709, "FDA_Category_X_Top_Rank": -0.0606133, "FDA_Category_D_and_X_L1000_Similarity": -1.18895, "FDA_Category_D_and_X_Structural_Similarity": -0.445162, "FDA_Category_D_and_X_Weighted_Contribution": -0.961401, "FDA_Category_D_and_X_Top_Rank": -0.0934509, "Placenta_Crossing_L1000_Similarity": -1.03597, "Placenta_Crossing_Structural_Similarity": -0.871142, "Placenta_Crossing_Weighted_Contribution": -1.12965, "Placenta_Crossing_Top_Rank": -0.0918691, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(C(=O)C4)C=O)C", "InChI_key": "DLZUBMGMHUNDLF-CVSXEEBHSA-N" } }, "CID:2785467": { "type": "Drug", "properties": { "id": "CID:2785467", "label": "arg-a1-2", "lsm": "LSM-2873", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2785467", "FDA_Category_D_L1000_Similarity": -0.570901, "FDA_Category_D_Structural_Similarity": -0.720737, "FDA_Category_D_Weighted_Contribution": -0.929013, "FDA_Category_D_Top_Rank": -0.0953758, "FDA_Category_X_L1000_Similarity": -0.29369, "FDA_Category_X_Structural_Similarity": -0.643624, "FDA_Category_X_Weighted_Contribution": -0.785042, "FDA_Category_X_Top_Rank": -0.0892375, "FDA_Category_D_and_X_L1000_Similarity": -0.581316, "FDA_Category_D_and_X_Structural_Similarity": -0.919355, "FDA_Category_D_and_X_Weighted_Contribution": -1.03855, "FDA_Category_D_and_X_Top_Rank": -0.0953483, "Placenta_Crossing_L1000_Similarity": -1.14381, "Placenta_Crossing_Structural_Similarity": -0.884297, "Placenta_Crossing_Weighted_Contribution": -1.16477, "Placenta_Crossing_Top_Rank": -0.0919848, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=C(C(=O)N2)[N+](=O)[O-])Cl", "InChI_key": "MCYSTJLGTLBBTI-UHFFFAOYSA-N" } }, "CID:278679": { "type": "Drug", "properties": { "id": "CID:278679", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID278679", "label": "cephalotaxine", "FDA_Category_D_L1000_Similarity": 1.12878, "FDA_Category_D_Structural_Similarity": 1.19563, "FDA_Category_D_Weighted_Contribution": 1.83081, "FDA_Category_D_Top_Rank": -0.0401671, "FDA_Category_X_L1000_Similarity": 0.401101, "FDA_Category_X_Structural_Similarity": 0.17179, "FDA_Category_X_Weighted_Contribution": 0.248011, "FDA_Category_X_Top_Rank": -0.0743585, "FDA_Category_D_and_X_L1000_Similarity": 1.09484, "FDA_Category_D_and_X_Structural_Similarity": 1.04169, "FDA_Category_D_and_X_Weighted_Contribution": 1.55614, "FDA_Category_D_and_X_Top_Rank": -0.050414, "Placenta_Crossing_L1000_Similarity": 0.677277, "Placenta_Crossing_Structural_Similarity": -0.500286, "Placenta_Crossing_Weighted_Contribution": -0.272293, "Placenta_Crossing_Top_Rank": -0.0794395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5", "InChI_key": "YMNCVRSYJBNGLD-UHFFFAOYSA-N" } }, "CID:2787": { "type": "Drug", "properties": { "id": "CID:2787", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2787", "label": "clinofibrate", "FDA_Category_D_L1000_Similarity": 0.930598, "FDA_Category_D_Structural_Similarity": -0.497715, "FDA_Category_D_Weighted_Contribution": -0.0699463, "FDA_Category_D_Top_Rank": -0.0696679, "FDA_Category_X_L1000_Similarity": 1.76598, "FDA_Category_X_Structural_Similarity": -0.361435, "FDA_Category_X_Weighted_Contribution": 0.405451, "FDA_Category_X_Top_Rank": -0.0236239, "FDA_Category_D_and_X_L1000_Similarity": 1.33849, "FDA_Category_D_and_X_Structural_Similarity": -0.590071, "FDA_Category_D_and_X_Weighted_Contribution": 0.0125817, "FDA_Category_D_and_X_Top_Rank": -0.0434186, "Placenta_Crossing_L1000_Similarity": 1.2413, "Placenta_Crossing_Structural_Similarity": 0.458897, "Placenta_Crossing_Weighted_Contribution": 0.959149, "Placenta_Crossing_Top_Rank": -0.059566, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O", "InChI_key": "BMOVQUBVGICXQN-UHFFFAOYSA-N" } }, "CID:2790": { "type": "Drug", "properties": { "id": "CID:2790", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2790", "label": "clobenpropit", "FDA_Category_D_L1000_Similarity": -0.623949, "FDA_Category_D_Structural_Similarity": -0.755199, "FDA_Category_D_Weighted_Contribution": -0.969541, "FDA_Category_D_Top_Rank": -0.0955238, "FDA_Category_X_L1000_Similarity": -0.341866, "FDA_Category_X_Structural_Similarity": -0.354198, "FDA_Category_X_Weighted_Contribution": -0.582543, "FDA_Category_X_Top_Rank": -0.0874406, "FDA_Category_D_and_X_L1000_Similarity": -0.641675, "FDA_Category_D_and_X_Structural_Similarity": -0.790535, "FDA_Category_D_and_X_Weighted_Contribution": -0.984169, "FDA_Category_D_and_X_Top_Rank": -0.0954989, "Placenta_Crossing_L1000_Similarity": -0.694509, "Placenta_Crossing_Structural_Similarity": -0.671424, "Placenta_Crossing_Weighted_Contribution": -0.91558, "Placenta_Crossing_Top_Rank": -0.0910588, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl", "InChI_key": "UCAIEVHKDLMIFL-UHFFFAOYSA-N" } }, "CID:2803059": { "type": "Drug", "properties": { "id": "CID:2803059", "label": "cd-00491sc", "lsm": "LSM-4913", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2803059", "FDA_Category_D_L1000_Similarity": -0.523369, "FDA_Category_D_Structural_Similarity": -0.130105, "FDA_Category_D_Weighted_Contribution": -0.487967, "FDA_Category_D_Top_Rank": -0.0881775, "FDA_Category_X_L1000_Similarity": -1.23259, "FDA_Category_X_Structural_Similarity": 0.0641508, "FDA_Category_X_Weighted_Contribution": -0.604384, "FDA_Category_X_Top_Rank": -0.0781759, "FDA_Category_D_and_X_L1000_Similarity": -0.825464, "FDA_Category_D_and_X_Structural_Similarity": -0.0686504, "FDA_Category_D_and_X_Weighted_Contribution": -0.570709, "FDA_Category_D_and_X_Top_Rank": -0.0876823, "Placenta_Crossing_L1000_Similarity": -0.615416, "Placenta_Crossing_Structural_Similarity": 0.0816799, "Placenta_Crossing_Weighted_Contribution": -0.335014, "Placenta_Crossing_Top_Rank": -0.0804732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC=C(C=C3)F)C#N)F", "InChI_key": "IECBSRBZPZTUKJ-UHFFFAOYSA-N" } }, "CID:2816236": { "type": "Drug", "properties": { "id": "CID:2816236", "label": "hts-12264sc", "lsm": "LSM-4909", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2816236", "FDA_Category_D_L1000_Similarity": -0.772885, "FDA_Category_D_Structural_Similarity": -0.517869, "FDA_Category_D_Weighted_Contribution": -0.874965, "FDA_Category_D_Top_Rank": -0.0942958, "FDA_Category_X_L1000_Similarity": -0.728918, "FDA_Category_X_Structural_Similarity": -0.411903, "FDA_Category_X_Weighted_Contribution": -0.774921, "FDA_Category_X_Top_Rank": -0.088417, "FDA_Category_D_and_X_L1000_Similarity": -0.887598, "FDA_Category_D_and_X_Structural_Similarity": -0.633301, "FDA_Category_D_and_X_Weighted_Contribution": -0.972785, "FDA_Category_D_and_X_Top_Rank": -0.0950338, "Placenta_Crossing_L1000_Similarity": -0.567998, "Placenta_Crossing_Structural_Similarity": 3.38656, "Placenta_Crossing_Weighted_Contribution": 2.93415, "Placenta_Crossing_Top_Rank": 0.3088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)CC2=NN3C(=NN(C3=NC2=O)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5", "InChI_key": "YDXQNOXNHVRHQT-UHFFFAOYSA-N" } }, "CID:2819095": { "type": "Drug", "properties": { "id": "CID:2819095", "label": "km-00799", "lsm": "LSM-6180", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2819095", "FDA_Category_D_L1000_Similarity": -1.32441, "FDA_Category_X_L1000_Similarity": 0.125314, "FDA_Category_D_and_X_L1000_Similarity": -1.1036, "Placenta_Crossing_L1000_Similarity": -0.565776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)C(=O)C(=C(SC)SC)C#N", "InChI_key": "FDWJVAMEZPQFCN-UHFFFAOYSA-N" } }, "CID:2819320": { "type": "Drug", "properties": { "id": "CID:2819320", "label": "km-01366", "lsm": "LSM-4530", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2819320", "FDA_Category_D_L1000_Similarity": 0.0215156, "FDA_Category_X_L1000_Similarity": -0.957514, "FDA_Category_D_and_X_L1000_Similarity": -0.272228, "Placenta_Crossing_L1000_Similarity": 0.0636483, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)F)F", "InChI_key": "OJPVWJGAMPCYHL-UHFFFAOYSA-N" } }, "CID:2820134": { "type": "Drug", "properties": { "id": "CID:2820134", "label": "km-03472sc", "lsm": "LSM-4701", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2820134", "FDA_Category_D_L1000_Similarity": -0.546556, "FDA_Category_D_Structural_Similarity": -0.680864, "FDA_Category_D_Weighted_Contribution": -0.894653, "FDA_Category_D_Top_Rank": -0.0952986, "FDA_Category_X_L1000_Similarity": -0.763302, "FDA_Category_X_Structural_Similarity": -0.752638, "FDA_Category_X_Weighted_Contribution": -1.01725, "FDA_Category_X_Top_Rank": -0.0907977, "FDA_Category_D_and_X_L1000_Similarity": -0.702944, "FDA_Category_D_and_X_Structural_Similarity": -0.946531, "FDA_Category_D_and_X_Weighted_Contribution": -1.09082, "FDA_Category_D_and_X_Top_Rank": -0.0956864, "Placenta_Crossing_L1000_Similarity": -0.199741, "Placenta_Crossing_Structural_Similarity": -1.02031, "Placenta_Crossing_Weighted_Contribution": -0.975299, "Placenta_Crossing_Top_Rank": -0.0895869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=COC(=C1)C2=C(SC3=C2C(=C(S3)C#N)N)C#N", "InChI_key": "WNYPDLONIZAAOA-UHFFFAOYSA-N" } }, "CID:2830510": { "type": "Drug", "properties": { "id": "CID:2830510", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2830510", "label": "salubrinal", "FDA_Category_D_L1000_Similarity": -1.29058, "FDA_Category_D_Structural_Similarity": 0.0445259, "FDA_Category_D_Weighted_Contribution": -0.696988, "FDA_Category_D_Top_Rank": -0.0840413, "FDA_Category_X_L1000_Similarity": 1.46616, "FDA_Category_X_Structural_Similarity": -0.540914, "FDA_Category_X_Weighted_Contribution": 0.0652927, "FDA_Category_X_Top_Rank": -0.049315, "FDA_Category_D_and_X_L1000_Similarity": -0.667262, "FDA_Category_D_and_X_Structural_Similarity": -0.256534, "FDA_Category_D_and_X_Weighted_Contribution": -0.644006, "FDA_Category_D_and_X_Top_Rank": -0.0910684, "Placenta_Crossing_L1000_Similarity": -1.49424, "Placenta_Crossing_Structural_Similarity": 0.331587, "Placenta_Crossing_Weighted_Contribution": -0.494444, "Placenta_Crossing_Top_Rank": -0.0743137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3", "InChI_key": "LCOIAYJMPKXARU-UHFFFAOYSA-N" } }, "CID:2834356": { "type": "Drug", "properties": { "id": "CID:2834356", "label": "st-003833", "lsm": "LSM-4465", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2834356", "FDA_Category_D_L1000_Similarity": -0.0439361, "FDA_Category_X_L1000_Similarity": 0.706796, "FDA_Category_D_and_X_L1000_Similarity": 0.176764, "Placenta_Crossing_L1000_Similarity": 0.570713, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O", "InChI_key": "DNEUNQHNKDREAR-UHFFFAOYSA-N" } }, "CID:2871": { "type": "Drug", "properties": { "id": "CID:2871", "label": "coumaphos", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2871", "FDA_Category_D_L1000_Similarity": 0.892467, "FDA_Category_D_Structural_Similarity": 4.32509, "FDA_Category_D_Weighted_Contribution": 3.95197, "FDA_Category_D_Top_Rank": 0.729095, "FDA_Category_X_L1000_Similarity": -0.705, "FDA_Category_X_Structural_Similarity": -0.336185, "FDA_Category_X_Weighted_Contribution": -0.709911, "FDA_Category_X_Top_Rank": -0.0871207, "FDA_Category_D_and_X_L1000_Similarity": 0.555231, "FDA_Category_D_and_X_Structural_Similarity": 3.25148, "FDA_Category_D_and_X_Weighted_Contribution": 3.23354, "FDA_Category_D_and_X_Top_Rank": 0.282315, "Placenta_Crossing_L1000_Similarity": 0.321405, "Placenta_Crossing_Structural_Similarity": 3.43948, "Placenta_Crossing_Weighted_Contribution": 3.29017, "Placenta_Crossing_Top_Rank": 0.331418, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C", "InChI_key": "BXNANOICGRISHX-UHFFFAOYSA-N" } }, "CID:2879": { "type": "Drug", "properties": { "id": "CID:2879", "label": "p-cresol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2879", "FDA_Category_D_L1000_Similarity": 0.232644, "FDA_Category_D_Structural_Similarity": -0.327232, "FDA_Category_D_Weighted_Contribution": -0.283461, "FDA_Category_D_Top_Rank": -0.0897804, "FDA_Category_X_L1000_Similarity": 0.0927367, "FDA_Category_X_Structural_Similarity": -0.551793, "FDA_Category_X_Weighted_Contribution": -0.566541, "FDA_Category_X_Top_Rank": -0.0869107, "FDA_Category_D_and_X_L1000_Similarity": 0.228704, "FDA_Category_D_and_X_Structural_Similarity": -0.557473, "FDA_Category_D_and_X_Weighted_Contribution": -0.49246, "FDA_Category_D_and_X_Top_Rank": -0.0898616, "Placenta_Crossing_L1000_Similarity": 0.0991839, "Placenta_Crossing_Structural_Similarity": -0.53682, "Placenta_Crossing_Weighted_Contribution": -0.541228, "Placenta_Crossing_Top_Rank": -0.0875696, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)O", "InChI_key": "IWDCLRJOBJJRNH-UHFFFAOYSA-N" } }, "CID:2888950": { "type": "Drug", "properties": { "id": "CID:2888950", "label": "mw-a1-6", "lsm": "LSM-4822", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2888950", "FDA_Category_D_L1000_Similarity": 0.042533, "FDA_Category_D_Structural_Similarity": 0.578952, "FDA_Category_D_Weighted_Contribution": 0.479134, "FDA_Category_D_Top_Rank": -0.0681385, "FDA_Category_X_L1000_Similarity": 0.739546, "FDA_Category_X_Structural_Similarity": 1.72304, "FDA_Category_X_Weighted_Contribution": 2.15897, "FDA_Category_X_Top_Rank": 0.00788227, "FDA_Category_D_and_X_L1000_Similarity": 0.261261, "FDA_Category_D_and_X_Structural_Similarity": 1.38927, "FDA_Category_D_and_X_Weighted_Contribution": 1.42905, "FDA_Category_D_and_X_Top_Rank": -0.0240632, "Placenta_Crossing_L1000_Similarity": 0.251178, "Placenta_Crossing_Structural_Similarity": 4.43386, "Placenta_Crossing_Weighted_Contribution": 3.78358, "Placenta_Crossing_Top_Rank": 0.6334, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC(=CC(=C3)Cl)Cl", "InChI_key": "KMPUYUUZLQNNFX-UHFFFAOYSA-N" } }, "CID:2893": { "type": "Drug", "properties": { "id": "CID:2893", "label": "cyclandelate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2893", "FDA_Category_D_L1000_Similarity": -0.430808, "FDA_Category_D_Structural_Similarity": -0.156441, "FDA_Category_D_Weighted_Contribution": -0.465587, "FDA_Category_D_Top_Rank": -0.088649, "FDA_Category_X_L1000_Similarity": 0.93029, "FDA_Category_X_Structural_Similarity": 0.238343, "FDA_Category_X_Weighted_Contribution": 0.601768, "FDA_Category_X_Top_Rank": -0.0718949, "FDA_Category_D_and_X_L1000_Similarity": -0.0888462, "FDA_Category_D_and_X_Structural_Similarity": 0.00443945, "FDA_Category_D_and_X_Weighted_Contribution": -0.173468, "FDA_Category_D_and_X_Top_Rank": -0.0862196, "Placenta_Crossing_L1000_Similarity": -0.398648, "Placenta_Crossing_Structural_Similarity": 0.276803, "Placenta_Crossing_Weighted_Contribution": -0.0668396, "Placenta_Crossing_Top_Rank": -0.0756511, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O", "InChI_key": "WZHCOOQXZCIUNC-UHFFFAOYSA-N" } }, "CID:2894": { "type": "Drug", "properties": { "id": "CID:2894", "label": "cyclazosin", "lsm": "LSM-5039", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2894", "FDA_Category_D_L1000_Similarity": 0.160609, "FDA_Category_D_Structural_Similarity": 0.470863, "FDA_Category_D_Weighted_Contribution": 0.438791, "FDA_Category_D_Top_Rank": -0.0720414, "FDA_Category_X_L1000_Similarity": 0.435811, "FDA_Category_X_Structural_Similarity": 2.51946, "FDA_Category_X_Weighted_Contribution": 2.80313, "FDA_Category_X_Top_Rank": 0.113726, "FDA_Category_D_and_X_L1000_Similarity": 0.270798, "FDA_Category_D_and_X_Structural_Similarity": 1.73322, "FDA_Category_D_and_X_Weighted_Contribution": 1.7964, "FDA_Category_D_and_X_Top_Rank": 0.00780314, "Placenta_Crossing_L1000_Similarity": -0.333316, "Placenta_Crossing_Structural_Similarity": 1.07971, "Placenta_Crossing_Weighted_Contribution": 0.768805, "Placenta_Crossing_Top_Rank": -0.0466583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(C4C3CCCC4)C(=O)C5=CC=CO5)N)OC", "InChI_key": "XBRXTUGRUXGBPX-UHFFFAOYSA-N" } }, "CID:2905": { "type": "Drug", "properties": { "id": "CID:2905", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2905", "label": "cyclopentolate", "FDA_Category_D_L1000_Similarity": 0.445438, "FDA_Category_D_Structural_Similarity": -0.0134361, "FDA_Category_D_Weighted_Contribution": 0.120101, "FDA_Category_D_Top_Rank": -0.0854899, "FDA_Category_X_L1000_Similarity": 0.487142, "FDA_Category_X_Structural_Similarity": -0.495875, "FDA_Category_X_Weighted_Contribution": -0.352749, "FDA_Category_X_Top_Rank": -0.082683, "FDA_Category_D_and_X_L1000_Similarity": 0.531912, "FDA_Category_D_and_X_Structural_Similarity": -0.278236, "FDA_Category_D_and_X_Weighted_Contribution": -0.115468, "FDA_Category_D_and_X_Top_Rank": -0.0851166, "Placenta_Crossing_L1000_Similarity": 0.980802, "Placenta_Crossing_Structural_Similarity": -0.639969, "Placenta_Crossing_Weighted_Contribution": -0.259982, "Placenta_Crossing_Top_Rank": -0.07102, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O", "InChI_key": "SKYSRIRYMSLOIN-UHFFFAOYSA-N" } }, "CID:29083": { "type": "Drug", "properties": { "id": "CID:29083", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID29083", "label": "caroxazone", "FDA_Category_D_L1000_Similarity": -0.488297, "FDA_Category_D_Structural_Similarity": 1.50467, "FDA_Category_D_Weighted_Contribution": 1.1393, "FDA_Category_D_Top_Rank": -0.0166502, "FDA_Category_X_L1000_Similarity": -1.3861, "FDA_Category_X_Structural_Similarity": -0.174496, "FDA_Category_X_Weighted_Contribution": -0.840335, "FDA_Category_X_Top_Rank": -0.084023, "FDA_Category_D_and_X_L1000_Similarity": -0.841853, "FDA_Category_D_and_X_Structural_Similarity": 1.10012, "FDA_Category_D_and_X_Weighted_Contribution": 0.469481, "FDA_Category_D_and_X_Top_Rank": -0.0463056, "Placenta_Crossing_L1000_Similarity": -0.352223, "Placenta_Crossing_Structural_Similarity": 0.325692, "Placenta_Crossing_Weighted_Contribution": 0.000187069, "Placenta_Crossing_Top_Rank": -0.0744619, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2=CC=CC=C2OC(=O)N1CC(=O)N", "InChI_key": "KYCBWEZLKCTALM-UHFFFAOYSA-N" } }, "CID:2950": { "type": "Drug", "properties": { "id": "CID:2950", "label": "dantron", "lsm": "LSM-2208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2950", "FDA_Category_D_L1000_Similarity": -0.0759068, "FDA_Category_D_Structural_Similarity": 3.608, "FDA_Category_D_Weighted_Contribution": 3.32435, "FDA_Category_D_Top_Rank": 0.400585, "FDA_Category_X_L1000_Similarity": 0.848851, "FDA_Category_X_Structural_Similarity": -0.0386019, "FDA_Category_X_Weighted_Contribution": 0.262189, "FDA_Category_X_Top_Rank": -0.0756692, "FDA_Category_D_and_X_L1000_Similarity": 0.192347, "FDA_Category_D_and_X_Structural_Similarity": 2.84289, "FDA_Category_D_and_X_Weighted_Contribution": 2.79028, "FDA_Category_D_and_X_Top_Rank": 0.161558, "Placenta_Crossing_L1000_Similarity": -0.103861, "Placenta_Crossing_Structural_Similarity": -0.668017, "Placenta_Crossing_Weighted_Contribution": -0.714196, "Placenta_Crossing_Top_Rank": -0.0890207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O", "InChI_key": "QBPFLULOKWLNNW-UHFFFAOYSA-N" } }, "CID:2950007": { "type": "Drug", "properties": { "id": "CID:2950007", "label": "brd-a28422330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2950007", "FDA_Category_D_L1000_Similarity": -0.602666, "FDA_Category_D_Structural_Similarity": 0.241403, "FDA_Category_D_Weighted_Contribution": -0.213824, "FDA_Category_D_Top_Rank": -0.0788098, "FDA_Category_X_L1000_Similarity": -2.05947, "FDA_Category_X_Structural_Similarity": -0.285902, "FDA_Category_X_Weighted_Contribution": -1.12655, "FDA_Category_X_Top_Rank": -0.0862288, "FDA_Category_D_and_X_L1000_Similarity": -1.14493, "FDA_Category_D_and_X_Structural_Similarity": 0.0373332, "FDA_Category_D_and_X_Weighted_Contribution": -0.624982, "FDA_Category_D_and_X_Top_Rank": -0.0855321, "Placenta_Crossing_L1000_Similarity": -1.64008, "Placenta_Crossing_Structural_Similarity": 3.1854, "Placenta_Crossing_Weighted_Contribution": 2.28386, "Placenta_Crossing_Top_Rank": 0.240097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4", "InChI_key": "QBNZBMVRFYREHK-UHFFFAOYSA-N" } }, "CID:2953683": { "type": "Drug", "properties": { "id": "CID:2953683", "label": "mw-stk33-3b", "lsm": "LSM-4803", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2953683", "FDA_Category_D_L1000_Similarity": -0.809583, "FDA_Category_X_L1000_Similarity": -0.11677, "FDA_Category_D_and_X_L1000_Similarity": -0.733339, "Placenta_Crossing_L1000_Similarity": 0.531055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)O", "InChI_key": "YEFGGTAFRZXAOF-UHFFFAOYSA-N" } }, "CID:2956": { "type": "Drug", "properties": { "id": "CID:2956", "label": "dapt-gsi-ix", "lsm": "LSM-1739", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2956", "FDA_Category_D_L1000_Similarity": -0.0479115, "FDA_Category_D_Structural_Similarity": 0.36819, "FDA_Category_D_Weighted_Contribution": 0.21114, "FDA_Category_D_Top_Rank": -0.0752289, "FDA_Category_X_L1000_Similarity": -0.0750336, "FDA_Category_X_Structural_Similarity": 0.605981, "FDA_Category_X_Weighted_Contribution": 0.454831, "FDA_Category_X_Top_Rank": -0.0574591, "FDA_Category_D_and_X_L1000_Similarity": -0.0640813, "FDA_Category_D_and_X_Structural_Similarity": 0.619222, "FDA_Category_D_and_X_Weighted_Contribution": 0.423921, "FDA_Category_D_and_X_Top_Rank": -0.0701762, "Placenta_Crossing_L1000_Similarity": -0.302693, "Placenta_Crossing_Structural_Similarity": -0.189208, "Placenta_Crossing_Weighted_Contribution": -0.427612, "Placenta_Crossing_Top_Rank": -0.0857976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F", "InChI_key": "DWJXYEABWRJFSP-UHFFFAOYSA-N" } }, "CID:2972": { "type": "Drug", "properties": { "id": "CID:2972", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2972", "label": "deferiprone", "FDA_Category_D_L1000_Similarity": 0.731157, "FDA_Category_D_Structural_Similarity": -0.672002, "FDA_Category_D_Weighted_Contribution": -0.328841, "FDA_Category_D_Top_Rank": -0.0786334, "FDA_Category_X_L1000_Similarity": 0.373715, "FDA_Category_X_Structural_Similarity": -0.497224, "FDA_Category_X_Weighted_Contribution": -0.403414, "FDA_Category_X_Top_Rank": -0.0840978, "FDA_Category_D_and_X_L1000_Similarity": 0.743766, "FDA_Category_D_and_X_Structural_Similarity": -0.801677, "FDA_Category_D_and_X_Weighted_Contribution": -0.457458, "FDA_Category_D_and_X_Top_Rank": -0.0798156, "Placenta_Crossing_L1000_Similarity": 1.65545, "Placenta_Crossing_Structural_Similarity": -0.760519, "Placenta_Crossing_Weighted_Contribution": -0.0624939, "Placenta_Crossing_Top_Rank": -0.021738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)C=CN1C)O", "InChI_key": "TZXKOCQBRNJULO-UHFFFAOYSA-N" } }, "CID:3000540": { "type": "Drug", "properties": { "id": "CID:3000540", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3000540", "label": "lincomycin", "FDA_Category_D_L1000_Similarity": 0.481928, "FDA_Category_D_Structural_Similarity": 0.526384, "FDA_Category_D_Weighted_Contribution": 0.694826, "FDA_Category_D_Top_Rank": -0.0701105, "FDA_Category_X_L1000_Similarity": -0.128116, "FDA_Category_X_Structural_Similarity": -0.293829, "FDA_Category_X_Weighted_Contribution": -0.444311, "FDA_Category_X_Top_Rank": -0.0864015, "FDA_Category_D_and_X_L1000_Similarity": 0.376519, "FDA_Category_D_and_X_Structural_Similarity": 0.259249, "FDA_Category_D_and_X_Weighted_Contribution": 0.31074, "FDA_Category_D_and_X_Top_Rank": -0.0804018, "Placenta_Crossing_L1000_Similarity": 0.383168, "Placenta_Crossing_Structural_Similarity": 4.30049, "Placenta_Crossing_Weighted_Contribution": 3.75641, "Placenta_Crossing_Top_Rank": 0.604891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O", "InChI_key": "OJMMVQQUTAEWLP-KIDUDLJLSA-N" } }, "CID:3012": { "type": "Drug", "properties": { "id": "CID:3012", "label": "r-59022", "lsm": "LSM-3215", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3012", "FDA_Category_D_L1000_Similarity": -0.141502, "FDA_Category_D_Structural_Similarity": 0.463714, "FDA_Category_D_Weighted_Contribution": 0.251675, "FDA_Category_D_Top_Rank": -0.0723249, "FDA_Category_X_L1000_Similarity": 0.0526436, "FDA_Category_X_Structural_Similarity": -0.152577, "FDA_Category_X_Weighted_Contribution": -0.239778, "FDA_Category_X_Top_Rank": -0.0834714, "FDA_Category_D_and_X_L1000_Similarity": -0.105986, "FDA_Category_D_and_X_Structural_Similarity": 0.285726, "FDA_Category_D_and_X_Weighted_Contribution": 0.0744391, "FDA_Category_D_and_X_Top_Rank": -0.0797307, "Placenta_Crossing_L1000_Similarity": -0.315425, "Placenta_Crossing_Structural_Similarity": -0.262996, "Placenta_Crossing_Weighted_Contribution": -0.491737, "Placenta_Crossing_Top_Rank": -0.0869121, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=CC=C4)C5=CC=C(C=C5)F)CC3", "InChI_key": "MFVJXLPANKSLLD-UHFFFAOYSA-N" } }, "CID:3016": { "type": "Drug", "properties": { "id": "CID:3016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3016", "label": "diazepam", "ref": "LSM-2359", "FDA_Category_D_L1000_Similarity": 0.21251, "FDA_Category_D_Structural_Similarity": 2.25036, "FDA_Category_D_Weighted_Contribution": 2.3572, "FDA_Category_D_Top_Rank": 0.0955661, "FDA_Category_X_L1000_Similarity": -0.879828, "FDA_Category_X_Structural_Similarity": 0.873383, "FDA_Category_X_Weighted_Contribution": 0.311192, "FDA_Category_X_Top_Rank": -0.046448, "FDA_Category_D_and_X_L1000_Similarity": -0.0840023, "FDA_Category_D_and_X_Structural_Similarity": 2.25742, "FDA_Category_D_and_X_Weighted_Contribution": 2.12463, "FDA_Category_D_and_X_Top_Rank": 0.0704262, "Placenta_Crossing_L1000_Similarity": 0.244449, "Placenta_Crossing_Structural_Similarity": 2.30055, "Placenta_Crossing_Weighted_Contribution": 2.35183, "Placenta_Crossing_Top_Rank": 0.0628279, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3", "InChI_key": "AAOVKJBEBIDNHE-UHFFFAOYSA-N" } }, "CID:3025": { "type": "Drug", "properties": { "id": "CID:3025", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3025", "label": "cinchocaine", "FDA_Category_D_L1000_Similarity": 0.127271, "FDA_Category_D_Structural_Similarity": 0.551189, "FDA_Category_D_Weighted_Contribution": 0.50188, "FDA_Category_D_Top_Rank": -0.0693331, "FDA_Category_X_L1000_Similarity": 1.10619, "FDA_Category_X_Structural_Similarity": 0.100278, "FDA_Category_X_Weighted_Contribution": 0.547135, "FDA_Category_X_Top_Rank": -0.0678211, "FDA_Category_D_and_X_L1000_Similarity": 0.445646, "FDA_Category_D_and_X_Structural_Similarity": 0.491596, "FDA_Category_D_and_X_Weighted_Contribution": 0.585654, "FDA_Category_D_and_X_Top_Rank": -0.0741606, "Placenta_Crossing_L1000_Similarity": 0.464418, "Placenta_Crossing_Structural_Similarity": 1.94237, "Placenta_Crossing_Weighted_Contribution": 2.11196, "Placenta_Crossing_Top_Rank": 0.0252989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC", "InChI_key": "PUFQVTATUTYEAL-UHFFFAOYSA-N" } }, "CID:3025961": { "type": "Drug", "properties": { "id": "CID:3025961", "label": "mpep", "lsm": "LSM-4678", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3025961", "FDA_Category_D_L1000_Similarity": 0.595998, "FDA_Category_D_Structural_Similarity": -0.697256, "FDA_Category_D_Weighted_Contribution": -0.416291, "FDA_Category_D_Top_Rank": -0.0827469, "FDA_Category_X_L1000_Similarity": 0.206181, "FDA_Category_X_Structural_Similarity": 1.20611, "FDA_Category_X_Weighted_Contribution": 1.28336, "FDA_Category_X_Top_Rank": -0.0277645, "FDA_Category_D_and_X_L1000_Similarity": 0.576377, "FDA_Category_D_and_X_Structural_Similarity": 0.0973918, "FDA_Category_D_and_X_Weighted_Contribution": 0.261544, "FDA_Category_D_and_X_Top_Rank": -0.0840618, "Placenta_Crossing_L1000_Similarity": 0.755963, "Placenta_Crossing_Structural_Similarity": 0.160496, "Placenta_Crossing_Weighted_Contribution": 0.387491, "Placenta_Crossing_Top_Rank": -0.0774919, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=CC=C1)C#CC2=CC=CC=C2", "InChI_key": "NEWKHUASLBMWRE-UHFFFAOYSA-N" } }, "CID:3033818": { "type": "Drug", "properties": { "id": "CID:3033818", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3033818", "label": "dolasetron", "FDA_Category_D_L1000_Similarity": 0.363882, "FDA_Category_D_Structural_Similarity": 2.58778, "FDA_Category_D_Weighted_Contribution": 2.74714, "FDA_Category_D_Top_Rank": 0.145456, "FDA_Category_X_L1000_Similarity": 1.34267, "FDA_Category_X_Structural_Similarity": -0.385012, "FDA_Category_X_Weighted_Contribution": 0.160057, "FDA_Category_X_Top_Rank": -0.0565618, "FDA_Category_D_and_X_L1000_Similarity": 0.721411, "FDA_Category_D_and_X_Structural_Similarity": 1.84621, "FDA_Category_D_and_X_Weighted_Contribution": 2.16399, "FDA_Category_D_and_X_Top_Rank": 0.0191236, "Placenta_Crossing_L1000_Similarity": 0.592963, "Placenta_Crossing_Structural_Similarity": 0.510013, "Placenta_Crossing_Weighted_Contribution": 0.66332, "Placenta_Crossing_Top_Rank": -0.0691516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "UKTAZPQNNNJVKR-KJGYPYNMSA-N" } }, "CID:3035842": { "type": "Drug", "properties": { "id": "CID:3035842", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3035842", "label": "immepip", "FDA_Category_D_L1000_Similarity": 0.721637, "FDA_Category_D_Structural_Similarity": -0.588941, "FDA_Category_D_Weighted_Contribution": -0.262054, "FDA_Category_D_Top_Rank": -0.0789328, "FDA_Category_X_L1000_Similarity": 0.507547, "FDA_Category_X_Structural_Similarity": -0.281352, "FDA_Category_X_Weighted_Contribution": -0.148033, "FDA_Category_X_Top_Rank": -0.0824334, "FDA_Category_D_and_X_L1000_Similarity": 0.776195, "FDA_Category_D_and_X_Structural_Similarity": -0.619267, "FDA_Category_D_and_X_Weighted_Contribution": -0.293214, "FDA_Category_D_and_X_Top_Rank": -0.0786201, "Placenta_Crossing_L1000_Similarity": 0.906495, "Placenta_Crossing_Structural_Similarity": 0.985129, "Placenta_Crossing_Weighted_Contribution": 1.34399, "Placenta_Crossing_Top_Rank": -0.0508696, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1CC2=CN=CN2", "InChI_key": "MCNGUYXRBCIGOV-UHFFFAOYSA-N" } }, "CID:3037918": { "type": "Drug", "properties": { "id": "CID:3037918", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3037918", "label": "dimemorfan", "FDA_Category_D_L1000_Similarity": -0.0122698, "FDA_Category_D_Structural_Similarity": 0.190272, "FDA_Category_D_Weighted_Contribution": 0.0580396, "FDA_Category_D_Top_Rank": -0.0802536, "FDA_Category_X_L1000_Similarity": -0.138291, "FDA_Category_X_Structural_Similarity": 0.602941, "FDA_Category_X_Weighted_Contribution": 0.417682, "FDA_Category_X_Top_Rank": -0.0576998, "FDA_Category_D_and_X_L1000_Similarity": -0.0525681, "FDA_Category_D_and_X_Structural_Similarity": 0.476366, "FDA_Category_D_and_X_Weighted_Contribution": 0.287563, "FDA_Category_D_and_X_Top_Rank": -0.0746322, "Placenta_Crossing_L1000_Similarity": 0.164107, "Placenta_Crossing_Structural_Similarity": 0.753345, "Placenta_Crossing_Weighted_Contribution": 0.690459, "Placenta_Crossing_Top_Rank": -0.0612131, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(CC3C4C2(CCCC4)CCN3C)C=C1", "InChI_key": "KBEZZLAAKIIPFK-NJAFHUGGSA-N" } }, "CID:3038495": { "type": "Drug", "properties": { "id": "CID:3038495", "label": "prestwick-559", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3038495", "FDA_Category_D_L1000_Similarity": 0.170643, "FDA_Category_D_Structural_Similarity": -0.0929183, "FDA_Category_D_Weighted_Contribution": -0.106995, "FDA_Category_D_Top_Rank": -0.0873861, "FDA_Category_X_L1000_Similarity": 0.837968, "FDA_Category_X_Structural_Similarity": 0.0297966, "FDA_Category_X_Weighted_Contribution": 0.328002, "FDA_Category_X_Top_Rank": -0.0759856, "FDA_Category_D_and_X_L1000_Similarity": 0.401569, "FDA_Category_D_and_X_Structural_Similarity": -0.0576723, "FDA_Category_D_and_X_Weighted_Contribution": 0.0192696, "FDA_Category_D_and_X_Top_Rank": -0.0874275, "Placenta_Crossing_L1000_Similarity": 0.154578, "Placenta_Crossing_Structural_Similarity": 0.27685, "Placenta_Crossing_Weighted_Contribution": 0.199415, "Placenta_Crossing_Top_Rank": -0.0756416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3", "InChI_key": "MNHDKMDLOJSCGN-UHFFFAOYSA-N" } }, "CID:3039": { "type": "Drug", "properties": { "id": "CID:3039", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3039", "label": "dichlorvos", "FDA_Category_D_L1000_Similarity": -0.594309, "FDA_Category_D_Structural_Similarity": -0.253147, "FDA_Category_D_Weighted_Contribution": -0.615756, "FDA_Category_D_Top_Rank": -0.0905414, "FDA_Category_X_L1000_Similarity": -1.37565, "FDA_Category_X_Structural_Similarity": -0.747046, "FDA_Category_X_Weighted_Contribution": -1.1932, "FDA_Category_X_Top_Rank": -0.0917337, "FDA_Category_D_and_X_L1000_Similarity": -0.930067, "FDA_Category_D_and_X_Structural_Similarity": -0.60403, "FDA_Category_D_and_X_Weighted_Contribution": -0.969557, "FDA_Category_D_and_X_Top_Rank": -0.0948193, "Placenta_Crossing_L1000_Similarity": -0.777638, "Placenta_Crossing_Structural_Similarity": -0.987594, "Placenta_Crossing_Weighted_Contribution": -1.12194, "Placenta_Crossing_Top_Rank": -0.0914632, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COP(=O)(OC)OC=C(Cl)Cl", "InChI_key": "OEBRKCOSUFCWJD-UHFFFAOYSA-N" } }, "CID:3058754": { "type": "Drug", "properties": { "id": "CID:3058754", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3058754", "label": "deracoxib", "FDA_Category_D_L1000_Similarity": 0.142934, "FDA_Category_D_Structural_Similarity": 0.0267118, "FDA_Category_D_Weighted_Contribution": -0.0109623, "FDA_Category_D_Top_Rank": -0.0845057, "FDA_Category_X_L1000_Similarity": -0.542567, "FDA_Category_X_Structural_Similarity": -0.128517, "FDA_Category_X_Weighted_Contribution": -0.479833, "FDA_Category_X_Top_Rank": -0.0829621, "FDA_Category_D_and_X_L1000_Similarity": -0.0415605, "FDA_Category_D_and_X_Structural_Similarity": -0.0481458, "FDA_Category_D_and_X_Weighted_Contribution": -0.196337, "FDA_Category_D_and_X_Top_Rank": -0.0872427, "Placenta_Crossing_L1000_Similarity": 0.473425, "Placenta_Crossing_Structural_Similarity": -0.0192035, "Placenta_Crossing_Weighted_Contribution": 0.0698633, "Placenta_Crossing_Top_Rank": -0.0826899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)F", "InChI_key": "WAZQAZKAZLXFMK-UHFFFAOYSA-N" } }, "CID:3064778": { "type": "Drug", "properties": { "id": "CID:3064778", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3064778", "label": "hydroxyfasudil", "FDA_Category_D_L1000_Similarity": 1.29657, "FDA_Category_D_Structural_Similarity": -0.856685, "FDA_Category_D_Weighted_Contribution": -0.201324, "FDA_Category_D_Top_Rank": -0.0377288, "FDA_Category_X_L1000_Similarity": 0.449336, "FDA_Category_X_Structural_Similarity": -0.677905, "FDA_Category_X_Weighted_Contribution": -0.523877, "FDA_Category_X_Top_Rank": -0.0831263, "FDA_Category_D_and_X_L1000_Similarity": 1.25412, "FDA_Category_D_and_X_Structural_Similarity": -1.04576, "FDA_Category_D_and_X_Weighted_Contribution": -0.423946, "FDA_Category_D_and_X_Top_Rank": -0.0511746, "Placenta_Crossing_L1000_Similarity": 1.38279, "Placenta_Crossing_Structural_Similarity": 0.453943, "Placenta_Crossing_Weighted_Contribution": 1.03111, "Placenta_Crossing_Top_Rank": -0.0499366, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O", "InChI_key": "ZAVGJDAFCZAWSZ-UHFFFAOYSA-N" } }, "CID:3078519": { "type": "Drug", "properties": { "id": "CID:3078519", "label": "7-hydroxystaurosporine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3078519", "FDA_Category_D_L1000_Similarity": -0.8249, "FDA_Category_D_Structural_Similarity": -0.552947, "FDA_Category_D_Weighted_Contribution": -0.917011, "FDA_Category_D_Top_Rank": -0.0946483, "FDA_Category_X_L1000_Similarity": 0.613348, "FDA_Category_X_Structural_Similarity": -0.750485, "FDA_Category_X_Weighted_Contribution": -0.516053, "FDA_Category_X_Top_Rank": -0.0808119, "FDA_Category_D_and_X_L1000_Similarity": -0.52482, "FDA_Category_D_and_X_Structural_Similarity": -0.84384, "FDA_Category_D_and_X_Weighted_Contribution": -0.977013, "FDA_Category_D_and_X_Top_Rank": -0.0951678, "Placenta_Crossing_L1000_Similarity": -0.995108, "Placenta_Crossing_Structural_Similarity": -0.444212, "Placenta_Crossing_Weighted_Contribution": -0.868259, "Placenta_Crossing_Top_Rank": -0.0891671, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3080554": { "type": "Drug", "properties": { "id": "CID:3080554", "label": "homoquinolinic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3080554", "FDA_Category_D_L1000_Similarity": 0.278929, "FDA_Category_D_Structural_Similarity": 0.352661, "FDA_Category_D_Weighted_Contribution": 0.388476, "FDA_Category_D_Top_Rank": -0.075643, "FDA_Category_X_L1000_Similarity": 0.3603, "FDA_Category_X_Structural_Similarity": -0.175682, "FDA_Category_X_Weighted_Contribution": -0.117797, "FDA_Category_X_Top_Rank": -0.084048, "FDA_Category_D_and_X_L1000_Similarity": 0.349858, "FDA_Category_D_and_X_Structural_Similarity": 0.185114, "FDA_Category_D_and_X_Weighted_Contribution": 0.223109, "FDA_Category_D_and_X_Top_Rank": -0.0819256, "Placenta_Crossing_L1000_Similarity": 0.792133, "Placenta_Crossing_Structural_Similarity": 0.622208, "Placenta_Crossing_Weighted_Contribution": 0.889851, "Placenta_Crossing_Top_Rank": -0.0658633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3080836": { "type": "Drug", "properties": { "id": "CID:3080836", "label": "clonixin-lysinate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3080836", "FDA_Category_D_L1000_Similarity": 0.462295, "FDA_Category_D_Structural_Similarity": 0.340409, "FDA_Category_D_Weighted_Contribution": 0.486684, "FDA_Category_D_Top_Rank": -0.0760577, "FDA_Category_X_L1000_Similarity": 0.344279, "FDA_Category_X_Structural_Similarity": -0.0851125, "FDA_Category_X_Weighted_Contribution": -0.0385467, "FDA_Category_X_Top_Rank": -0.0818901, "FDA_Category_D_and_X_L1000_Similarity": 0.503062, "FDA_Category_D_and_X_Structural_Similarity": 0.224261, "FDA_Category_D_and_X_Weighted_Contribution": 0.346513, "FDA_Category_D_and_X_Top_Rank": -0.0811694, "Placenta_Crossing_L1000_Similarity": 0.65314, "Placenta_Crossing_Structural_Similarity": 0.10765, "Placenta_Crossing_Weighted_Contribution": 0.282031, "Placenta_Crossing_Top_Rank": -0.079814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3082718": { "type": "Drug", "properties": { "id": "CID:3082718", "label": "ici-199441", "lsm": "LSM-3643", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3082718", "FDA_Category_D_L1000_Similarity": -1.3428, "FDA_Category_D_Structural_Similarity": -0.900735, "FDA_Category_D_Weighted_Contribution": -1.27326, "FDA_Category_D_Top_Rank": -0.0966467, "FDA_Category_X_L1000_Similarity": 0.904366, "FDA_Category_X_Structural_Similarity": -0.157703, "FDA_Category_X_Weighted_Contribution": 0.168187, "FDA_Category_X_Top_Rank": -0.0742759, "FDA_Category_D_and_X_L1000_Similarity": -0.882884, "FDA_Category_D_and_X_Structural_Similarity": -0.800021, "FDA_Category_D_and_X_Weighted_Contribution": -1.06609, "FDA_Category_D_and_X_Top_Rank": -0.0959482, "Placenta_Crossing_L1000_Similarity": -1.96012, "Placenta_Crossing_Structural_Similarity": -1.03965, "Placenta_Crossing_Weighted_Contribution": -1.41699, "Placenta_Crossing_Top_Rank": -0.0923862, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl", "InChI_key": "AEJOEPSMZCEYJN-HXUWFJFHSA-N" } }, "CID:3086618": { "type": "Drug", "properties": { "id": "CID:3086618", "label": "zamifenacin", "lsm": "LSM-3811", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3086618", "FDA_Category_D_L1000_Similarity": 0.858258, "FDA_Category_D_Structural_Similarity": 0.547751, "FDA_Category_D_Weighted_Contribution": 0.955489, "FDA_Category_D_Top_Rank": -0.0694323, "FDA_Category_X_L1000_Similarity": -0.0412853, "FDA_Category_X_Structural_Similarity": -0.6051, "FDA_Category_X_Weighted_Contribution": -0.661656, "FDA_Category_X_Top_Rank": -0.0878677, "FDA_Category_D_and_X_L1000_Similarity": 0.727298, "FDA_Category_D_and_X_Structural_Similarity": 0.108247, "FDA_Category_D_and_X_Weighted_Contribution": 0.35619, "FDA_Category_D_and_X_Top_Rank": -0.0803391, "Placenta_Crossing_L1000_Similarity": 0.605674, "Placenta_Crossing_Structural_Similarity": -0.476249, "Placenta_Crossing_Weighted_Contribution": -0.282831, "Placenta_Crossing_Top_Rank": -0.0808927, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5", "InChI_key": "BDNFQGRSKSQXRI-XMMPIXPASA-N" } }, "CID:3090": { "type": "Drug", "properties": { "id": "CID:3090", "label": "dimetridazole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3090", "FDA_Category_D_L1000_Similarity": -0.297529, "FDA_Category_D_Structural_Similarity": -0.379515, "FDA_Category_D_Weighted_Contribution": -0.579709, "FDA_Category_D_Top_Rank": -0.0926528, "FDA_Category_X_L1000_Similarity": 0.259445, "FDA_Category_X_Structural_Similarity": 1.26591, "FDA_Category_X_Weighted_Contribution": 1.38203, "FDA_Category_X_Top_Rank": -0.0237258, "FDA_Category_D_and_X_L1000_Similarity": -0.177689, "FDA_Category_D_and_X_Structural_Similarity": 0.381854, "FDA_Category_D_and_X_Weighted_Contribution": 0.127544, "FDA_Category_D_and_X_Top_Rank": -0.0772834, "Placenta_Crossing_L1000_Similarity": -0.476673, "Placenta_Crossing_Structural_Similarity": -0.473747, "Placenta_Crossing_Weighted_Contribution": -0.710563, "Placenta_Crossing_Top_Rank": -0.0894653, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3100": { "type": "Drug", "properties": { "id": "CID:3100", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3100", "label": "diphenhydramine", "ref": "LSM-5581", "FDA_Category_D_L1000_Similarity": 0.0103772, "FDA_Category_D_Structural_Similarity": -0.871899, "FDA_Category_D_Weighted_Contribution": -0.805379, "FDA_Category_D_Top_Rank": -0.0920971, "FDA_Category_X_L1000_Similarity": 0.867886, "FDA_Category_X_Structural_Similarity": -0.719998, "FDA_Category_X_Weighted_Contribution": -0.382159, "FDA_Category_X_Top_Rank": -0.0752297, "FDA_Category_D_and_X_L1000_Similarity": 0.272505, "FDA_Category_D_and_X_Structural_Similarity": -1.08055, "FDA_Category_D_and_X_Weighted_Contribution": -0.847494, "FDA_Category_D_and_X_Top_Rank": -0.0893525, "Placenta_Crossing_L1000_Similarity": 0.653748, "Placenta_Crossing_Structural_Similarity": -1.01502, "Placenta_Crossing_Weighted_Contribution": -0.687637, "Placenta_Crossing_Top_Rank": -0.0799334, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2", "InChI_key": "ZZVUWRFHKOJYTH-UHFFFAOYSA-N" } }, "CID:3101": { "type": "Drug", "properties": { "id": "CID:3101", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3101", "label": "diphenyleneiodonium", "FDA_Category_D_L1000_Similarity": -0.657412, "FDA_Category_D_Structural_Similarity": -0.91685, "FDA_Category_D_Weighted_Contribution": -1.07565, "FDA_Category_D_Top_Rank": -0.0956164, "FDA_Category_X_L1000_Similarity": -1.1266, "FDA_Category_X_Structural_Similarity": -0.763142, "FDA_Category_X_Weighted_Contribution": -1.13254, "FDA_Category_X_Top_Rank": -0.0914579, "FDA_Category_D_and_X_L1000_Similarity": -0.908827, "FDA_Category_D_and_X_Structural_Similarity": -1.1395, "FDA_Category_D_and_X_Weighted_Contribution": -1.24446, "FDA_Category_D_and_X_Top_Rank": -0.0960959, "Placenta_Crossing_L1000_Similarity": -1.58078, "Placenta_Crossing_Structural_Similarity": -0.416815, "Placenta_Crossing_Weighted_Contribution": -1.03204, "Placenta_Crossing_Top_Rank": -0.0888728, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2", "InChI_key": "QFXKXRXFBRLLPQ-UHFFFAOYSA-N" } }, "CID:31072": { "type": "Drug", "properties": { "id": "CID:31072", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31072", "label": "carbimazole", "ref": "LSM-5930", "FDA_Category_D_L1000_Similarity": 0.616281, "FDA_Category_D_Structural_Similarity": -0.586292, "FDA_Category_D_Weighted_Contribution": -0.313091, "FDA_Category_D_Top_Rank": -0.0821511, "FDA_Category_X_L1000_Similarity": -0.520474, "FDA_Category_X_Structural_Similarity": 0.68908, "FDA_Category_X_Weighted_Contribution": 0.306496, "FDA_Category_X_Top_Rank": -0.0544336, "FDA_Category_D_and_X_L1000_Similarity": 0.373193, "FDA_Category_D_and_X_Structural_Similarity": -0.0935229, "FDA_Category_D_and_X_Weighted_Contribution": -0.0285853, "FDA_Category_D_and_X_Top_Rank": -0.087845, "Placenta_Crossing_L1000_Similarity": 1.45465, "Placenta_Crossing_Structural_Similarity": -0.652318, "Placenta_Crossing_Weighted_Contribution": -0.0566751, "Placenta_Crossing_Top_Rank": -0.0441783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)N1C=CN(C1=S)C", "InChI_key": "CFOYWRHIYXMDOT-UHFFFAOYSA-N" } }, "CID:31101": { "type": "Drug", "properties": { "id": "CID:31101", "label": "bromocriptine", "lsm": "LSM-1817", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31101", "IDG_ID": "403", "FDA_Category_D_L1000_Similarity": -0.157004, "FDA_Category_D_Structural_Similarity": 0.479818, "FDA_Category_D_Weighted_Contribution": 0.258703, "FDA_Category_D_Top_Rank": -0.0717182, "FDA_Category_X_L1000_Similarity": 1.19179, "FDA_Category_X_Structural_Similarity": 4.07845, "FDA_Category_X_Weighted_Contribution": 4.06146, "FDA_Category_X_Top_Rank": 0.579437, "FDA_Category_D_and_X_L1000_Similarity": 0.226579, "FDA_Category_D_and_X_Structural_Similarity": 2.58156, "FDA_Category_D_and_X_Weighted_Contribution": 2.58711, "FDA_Category_D_and_X_Top_Rank": 0.116111, "Placenta_Crossing_L1000_Similarity": -1.02172, "Placenta_Crossing_Structural_Similarity": 0.0696298, "Placenta_Crossing_Weighted_Contribution": -0.51189, "Placenta_Crossing_Top_Rank": -0.0807342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O", "InChI_key": "OZVBMTJYIDMWIL-AYFBDAFISA-N" } }, "CID:3111211": { "type": "Drug", "properties": { "id": "CID:3111211", "label": "brd-a12633378", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3111211", "FDA_Category_D_L1000_Similarity": -1.12238, "FDA_Category_D_Structural_Similarity": -0.39163, "FDA_Category_D_Weighted_Contribution": -0.925137, "FDA_Category_D_Top_Rank": -0.0928036, "FDA_Category_X_L1000_Similarity": -1.90344, "FDA_Category_X_Structural_Similarity": -0.471067, "FDA_Category_X_Weighted_Contribution": -1.18671, "FDA_Category_X_Top_Rank": -0.0893825, "FDA_Category_D_and_X_L1000_Similarity": -1.54555, "FDA_Category_D_and_X_Structural_Similarity": -0.565028, "FDA_Category_D_and_X_Weighted_Contribution": -1.13848, "FDA_Category_D_and_X_Top_Rank": -0.0945291, "Placenta_Crossing_L1000_Similarity": -0.481473, "Placenta_Crossing_Structural_Similarity": 1.16601, "Placenta_Crossing_Weighted_Contribution": 0.78064, "Placenta_Crossing_Top_Rank": -0.0417453, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C", "InChI_key": "SIQGKPGBLYKQBB-UHFFFAOYSA-N" } }, "CID:311434": { "type": "Drug", "properties": { "id": "CID:311434", "label": "pnu-120596", "lsm": "LSM-3608", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/311434", "FDA_Category_D_L1000_Similarity": 0.518554, "FDA_Category_D_Structural_Similarity": -0.640761, "FDA_Category_D_Weighted_Contribution": -0.407096, "FDA_Category_D_Top_Rank": -0.084838, "FDA_Category_X_L1000_Similarity": 1.05094, "FDA_Category_X_Structural_Similarity": -0.527662, "FDA_Category_X_Weighted_Contribution": -0.123849, "FDA_Category_X_Top_Rank": -0.069868, "FDA_Category_D_and_X_L1000_Similarity": 0.766144, "FDA_Category_D_and_X_Structural_Similarity": -0.793305, "FDA_Category_D_and_X_Weighted_Contribution": -0.440829, "FDA_Category_D_and_X_Top_Rank": -0.0789278, "Placenta_Crossing_L1000_Similarity": 1.04227, "Placenta_Crossing_Structural_Similarity": -0.497753, "Placenta_Crossing_Weighted_Contribution": -0.106555, "Placenta_Crossing_Top_Rank": -0.0689299, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2OC)OC)Cl", "InChI_key": "CEIIEALEIHQDBX-UHFFFAOYSA-N" } }, "CID:3135": { "type": "Drug", "properties": { "id": "CID:3135", "label": "su-4312", "lsm": "LSM-2454", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3135", "FDA_Category_D_L1000_Similarity": -1.07889, "FDA_Category_D_Structural_Similarity": 1.7635, "FDA_Category_D_Weighted_Contribution": 1.04418, "FDA_Category_D_Top_Rank": 0.0152677, "FDA_Category_X_L1000_Similarity": -2.36346, "FDA_Category_X_Structural_Similarity": 0.507454, "FDA_Category_X_Weighted_Contribution": -0.699523, "FDA_Category_X_Top_Rank": -0.0617609, "FDA_Category_D_and_X_L1000_Similarity": -1.64776, "FDA_Category_D_and_X_Structural_Similarity": 1.67353, "FDA_Category_D_and_X_Weighted_Contribution": 0.594384, "FDA_Category_D_and_X_Top_Rank": 0.00173492, "Placenta_Crossing_L1000_Similarity": -1.07143, "Placenta_Crossing_Structural_Similarity": -0.426729, "Placenta_Crossing_Weighted_Contribution": -0.881865, "Placenta_Crossing_Top_Rank": -0.0889805, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O", "InChI_key": "UAKWLVYMKBWHMX-UHFFFAOYSA-N" } }, "CID:31373": { "type": "Drug", "properties": { "id": "CID:31373", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID31373", "label": "Tetrachloroethylene", "FDA_Category_D_L1000_Similarity": 0.79803, "FDA_Category_D_Structural_Similarity": -0.745691, "FDA_Category_D_Weighted_Contribution": -0.35809, "FDA_Category_D_Top_Rank": -0.0760066, "FDA_Category_X_L1000_Similarity": 1.00597, "FDA_Category_X_Structural_Similarity": -0.636278, "FDA_Category_X_Weighted_Contribution": -0.245858, "FDA_Category_X_Top_Rank": -0.0712394, "FDA_Category_D_and_X_L1000_Similarity": 0.993406, "FDA_Category_D_and_X_Structural_Similarity": -0.935198, "FDA_Category_D_and_X_Weighted_Contribution": -0.452367, "FDA_Category_D_and_X_Top_Rank": -0.0695434, "Placenta_Crossing_L1000_Similarity": 1.97752, "Placenta_Crossing_Structural_Similarity": 2.84286, "Placenta_Crossing_Weighted_Contribution": 3.43735, "Placenta_Crossing_Top_Rank": 0.162, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:31508": { "type": "Drug", "properties": { "id": "CID:31508", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID31508", "label": "proquazone", "FDA_Category_D_L1000_Similarity": 0.0800013, "FDA_Category_D_Structural_Similarity": -0.489876, "FDA_Category_D_Weighted_Contribution": -0.493114, "FDA_Category_D_Top_Rank": -0.0914885, "FDA_Category_X_L1000_Similarity": -1.89347, "FDA_Category_X_Structural_Similarity": -0.239114, "FDA_Category_X_Weighted_Contribution": -1.04944, "FDA_Category_X_Top_Rank": -0.085332, "FDA_Category_D_and_X_L1000_Similarity": -0.506057, "FDA_Category_D_and_X_Structural_Similarity": -0.517846, "FDA_Category_D_and_X_Weighted_Contribution": -0.763992, "FDA_Category_D_and_X_Top_Rank": -0.0941424, "Placenta_Crossing_L1000_Similarity": -0.434484, "Placenta_Crossing_Structural_Similarity": -0.198234, "Placenta_Crossing_Weighted_Contribution": -0.488296, "Placenta_Crossing_Top_Rank": -0.085904, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3", "InChI_key": "JTIGKVIOEQASGT-UHFFFAOYSA-N" } }, "CID:3151": { "type": "Drug", "properties": { "id": "CID:3151", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3151", "label": "domperidone", "FDA_Category_D_L1000_Similarity": -1.14624, "FDA_Category_D_Structural_Similarity": 0.611774, "FDA_Category_D_Weighted_Contribution": -0.167332, "FDA_Category_D_Top_Rank": -0.0671519, "FDA_Category_X_L1000_Similarity": 0.984371, "FDA_Category_X_Structural_Similarity": -0.474515, "FDA_Category_X_Weighted_Contribution": -0.104999, "FDA_Category_X_Top_Rank": -0.0718572, "FDA_Category_D_and_X_L1000_Similarity": -0.689143, "FDA_Category_D_and_X_Structural_Similarity": 0.229526, "FDA_Category_D_and_X_Weighted_Contribution": -0.269984, "FDA_Category_D_and_X_Top_Rank": -0.0810437, "Placenta_Crossing_L1000_Similarity": 0.0142574, "Placenta_Crossing_Structural_Similarity": -0.659219, "Placenta_Crossing_Weighted_Contribution": -0.665014, "Placenta_Crossing_Top_Rank": -0.0882445, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O", "InChI_key": "FGXWKSZFVQUSTL-UHFFFAOYSA-N" } }, "CID:3152": { "type": "Drug", "properties": { "id": "CID:3152", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3152", "label": "donepezil", "ref": "LSM-1598", "FDA_Category_D_L1000_Similarity": 0.577368, "FDA_Category_D_Structural_Similarity": -0.309524, "FDA_Category_D_Weighted_Contribution": -0.0871794, "FDA_Category_D_Top_Rank": -0.0832481, "FDA_Category_X_L1000_Similarity": -0.0617993, "FDA_Category_X_Structural_Similarity": -0.190517, "FDA_Category_X_Weighted_Contribution": -0.325631, "FDA_Category_X_Top_Rank": -0.0843588, "FDA_Category_D_and_X_L1000_Similarity": 0.478929, "FDA_Category_D_and_X_Structural_Similarity": -0.348476, "FDA_Category_D_and_X_Weighted_Contribution": -0.203808, "FDA_Category_D_and_X_Top_Rank": -0.0860654, "Placenta_Crossing_L1000_Similarity": 0.0796533, "Placenta_Crossing_Structural_Similarity": -0.414436, "Placenta_Crossing_Weighted_Contribution": -0.4528, "Placenta_Crossing_Top_Rank": -0.0877171, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC", "InChI_key": "ADEBPBSSDYVVLD-UHFFFAOYSA-N" } }, "CID:31553": { "type": "Drug", "properties": { "id": "CID:31553", "label": "silibinin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31553", "FDA_Category_D_L1000_Similarity": 1.28905, "FDA_Category_D_Structural_Similarity": 0.881506, "FDA_Category_D_Weighted_Contribution": 1.59501, "FDA_Category_D_Top_Rank": -0.0386106, "FDA_Category_X_L1000_Similarity": 0.412983, "FDA_Category_X_Structural_Similarity": -0.292368, "FDA_Category_X_Weighted_Contribution": -0.202486, "FDA_Category_X_Top_Rank": -0.0836247, "FDA_Category_D_and_X_L1000_Similarity": 1.2366, "FDA_Category_D_and_X_Structural_Similarity": 0.541902, "FDA_Category_D_and_X_Weighted_Contribution": 1.10742, "FDA_Category_D_and_X_Top_Rank": -0.0523649, "Placenta_Crossing_L1000_Similarity": 1.05275, "Placenta_Crossing_Structural_Similarity": -0.973466, "Placenta_Crossing_Weighted_Contribution": -0.504615, "Placenta_Crossing_Top_Rank": -0.0684267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O", "InChI_key": "SEBFKMXJBCUCAI-HKTJVKLFSA-N" } }, "CID:31635": { "type": "Drug", "properties": { "id": "CID:31635", "label": "tromaril", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31635", "FDA_Category_D_L1000_Similarity": -0.34593, "FDA_Category_D_Structural_Similarity": -0.646815, "FDA_Category_D_Weighted_Contribution": -0.794173, "FDA_Category_D_Top_Rank": -0.0944756, "FDA_Category_X_L1000_Similarity": 0.185867, "FDA_Category_X_Structural_Similarity": -0.491047, "FDA_Category_X_Weighted_Contribution": -0.478171, "FDA_Category_X_Top_Rank": -0.086077, "FDA_Category_D_and_X_L1000_Similarity": -0.24175, "FDA_Category_D_and_X_Structural_Similarity": -0.778353, "FDA_Category_D_and_X_Weighted_Contribution": -0.838501, "FDA_Category_D_and_X_Top_Rank": -0.0938883, "Placenta_Crossing_L1000_Similarity": 0.0455741, "Placenta_Crossing_Structural_Similarity": 0.867483, "Placenta_Crossing_Weighted_Contribution": 0.747566, "Placenta_Crossing_Top_Rank": -0.0565776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:31772": { "type": "Drug", "properties": { "id": "CID:31772", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID31772", "label": "nifurtimox", "FDA_Category_D_L1000_Similarity": 0.834644, "FDA_Category_D_Structural_Similarity": -0.753399, "FDA_Category_D_Weighted_Contribution": -0.346495, "FDA_Category_D_Top_Rank": -0.0743478, "FDA_Category_X_L1000_Similarity": 0.449881, "FDA_Category_X_Structural_Similarity": -0.77027, "FDA_Category_X_Weighted_Contribution": -0.598425, "FDA_Category_X_Top_Rank": -0.0831222, "FDA_Category_D_and_X_L1000_Similarity": 0.856093, "FDA_Category_D_and_X_Structural_Similarity": -1.01362, "FDA_Category_D_and_X_Weighted_Contribution": -0.57247, "FDA_Category_D_and_X_Top_Rank": -0.0758048, "Placenta_Crossing_L1000_Similarity": 1.37711, "Placenta_Crossing_Structural_Similarity": -0.924983, "Placenta_Crossing_Weighted_Contribution": -0.33152, "Placenta_Crossing_Top_Rank": -0.0503227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CS(=O)(=O)CCN1N=CC2=CC=C(O2)[N+](=O)[O-]", "InChI_key": "ARFHIAQFJWUCFH-UHFFFAOYSA-N" } }, "CID:3180": { "type": "Drug", "properties": { "id": "CID:3180", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3180", "label": "dyclonine", "FDA_Category_D_L1000_Similarity": -0.169175, "FDA_Category_D_Structural_Similarity": -0.101637, "FDA_Category_D_Weighted_Contribution": -0.291849, "FDA_Category_D_Top_Rank": -0.0875696, "FDA_Category_X_L1000_Similarity": -1.08074, "FDA_Category_X_Structural_Similarity": -0.000269474, "FDA_Category_X_Weighted_Contribution": -0.595184, "FDA_Category_X_Top_Rank": -0.0797699, "FDA_Category_D_and_X_L1000_Similarity": -0.47403, "FDA_Category_D_and_X_Structural_Similarity": -0.080816, "FDA_Category_D_and_X_Weighted_Contribution": -0.426997, "FDA_Category_D_and_X_Top_Rank": -0.0879726, "Placenta_Crossing_L1000_Similarity": -0.175997, "Placenta_Crossing_Structural_Similarity": 0.0636736, "Placenta_Crossing_Weighted_Contribution": -0.157468, "Placenta_Crossing_Top_Rank": -0.0808421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2", "InChI_key": "BZEWSEKUUPWQDQ-UHFFFAOYSA-N" } }, "CID:3220": { "type": "Drug", "properties": { "id": "CID:3220", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3220", "label": "emodin", "FDA_Category_D_L1000_Similarity": -0.165044, "FDA_Category_D_Structural_Similarity": 3.61706, "FDA_Category_D_Weighted_Contribution": 3.29602, "FDA_Category_D_Top_Rank": 0.409579, "FDA_Category_X_L1000_Similarity": -0.343127, "FDA_Category_X_Structural_Similarity": 0.0378131, "FDA_Category_X_Weighted_Contribution": -0.246773, "FDA_Category_X_Top_Rank": -0.0788661, "FDA_Category_D_and_X_L1000_Similarity": -0.246468, "FDA_Category_D_and_X_Structural_Similarity": 2.89131, "FDA_Category_D_and_X_Weighted_Contribution": 2.62565, "FDA_Category_D_and_X_Top_Rank": 0.175687, "Placenta_Crossing_L1000_Similarity": 0.537773, "Placenta_Crossing_Structural_Similarity": -0.562342, "Placenta_Crossing_Weighted_Contribution": -0.384108, "Placenta_Crossing_Top_Rank": -0.0823012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O", "InChI_key": "RHMXXJGYXNZAPX-UHFFFAOYSA-N" } }, "CID:3226": { "type": "Drug", "properties": { "id": "CID:3226", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3226", "label": "enflurane", "FDA_Category_D_L1000_Similarity": 0.494529, "FDA_Category_D_Structural_Similarity": -0.929394, "FDA_Category_D_Weighted_Contribution": -0.644663, "FDA_Category_D_Top_Rank": -0.0853863, "FDA_Category_X_L1000_Similarity": 0.0290252, "FDA_Category_X_Structural_Similarity": 0.269718, "FDA_Category_X_Weighted_Contribution": 0.157388, "FDA_Category_X_Top_Rank": -0.0709463, "FDA_Category_D_and_X_L1000_Similarity": 0.435105, "FDA_Category_D_and_X_Structural_Similarity": -0.592134, "FDA_Category_D_and_X_Weighted_Contribution": -0.42835, "FDA_Category_D_and_X_Top_Rank": -0.0869369, "Placenta_Crossing_L1000_Similarity": 0.595537, "Placenta_Crossing_Structural_Similarity": 1.89549, "Placenta_Crossing_Weighted_Contribution": 2.1315, "Placenta_Crossing_Top_Rank": 0.0212054, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(OC(F)F)(F)F)(F)Cl", "InChI_key": "JPGQOUSTVILISH-UHFFFAOYSA-N" } }, "CID:3272524": { "type": "Drug", "properties": { "id": "CID:3272524", "label": "nbqx", "lsm": "LSM-3054", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3272524", "FDA_Category_D_L1000_Similarity": 1.0918, "FDA_Category_D_Structural_Similarity": -0.481327, "FDA_Category_D_Weighted_Contribution": 0.0340974, "FDA_Category_D_Top_Rank": -0.0591288, "FDA_Category_X_L1000_Similarity": -0.126999, "FDA_Category_X_Structural_Similarity": -0.457764, "FDA_Category_X_Weighted_Contribution": -0.579369, "FDA_Category_X_Top_Rank": -0.0883833, "FDA_Category_D_and_X_L1000_Similarity": 0.90258, "FDA_Category_D_and_X_Structural_Similarity": -0.629044, "FDA_Category_D_and_X_Weighted_Contribution": -0.241125, "FDA_Category_D_and_X_Top_Rank": -0.0739115, "Placenta_Crossing_L1000_Similarity": 0.918083, "Placenta_Crossing_Structural_Similarity": -0.120765, "Placenta_Crossing_Weighted_Contribution": 0.189362, "Placenta_Crossing_Top_Rank": -0.0731527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3", "InChI_key": "UQNAFPHGVPVTAL-UHFFFAOYSA-N" } }, "CID:3280": { "type": "Drug", "properties": { "id": "CID:3280", "label": "ethaverine", "lsm": "LSM-5495", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3280", "FDA_Category_D_L1000_Similarity": -1.69673, "FDA_Category_D_Structural_Similarity": -0.859432, "FDA_Category_D_Weighted_Contribution": -1.34742, "FDA_Category_D_Top_Rank": -0.0967962, "FDA_Category_X_L1000_Similarity": -0.262283, "FDA_Category_X_Structural_Similarity": -0.536703, "FDA_Category_X_Weighted_Contribution": -0.693994, "FDA_Category_X_Top_Rank": -0.0890962, "FDA_Category_D_and_X_L1000_Similarity": -1.54226, "FDA_Category_D_and_X_Structural_Similarity": -0.971746, "FDA_Category_D_and_X_Weighted_Contribution": -1.32691, "FDA_Category_D_and_X_Top_Rank": -0.0966254, "Placenta_Crossing_L1000_Similarity": -1.60564, "Placenta_Crossing_Structural_Similarity": -0.904767, "Placenta_Crossing_Weighted_Contribution": -1.28668, "Placenta_Crossing_Top_Rank": -0.0921777, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3291": { "type": "Drug", "properties": { "id": "CID:3291", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3291", "label": "ethosuximide", "ref": "LSM-5195", "FDA_Category_D_L1000_Similarity": 0.33366, "FDA_Category_D_Structural_Similarity": -0.732649, "FDA_Category_D_Weighted_Contribution": -0.567035, "FDA_Category_D_Top_Rank": -0.0882819, "FDA_Category_X_L1000_Similarity": 0.777924, "FDA_Category_X_Structural_Similarity": -0.261512, "FDA_Category_X_Weighted_Contribution": 0.00105594, "FDA_Category_X_Top_Rank": -0.077465, "FDA_Category_D_and_X_L1000_Similarity": 0.523852, "FDA_Category_D_and_X_Structural_Similarity": -0.722624, "FDA_Category_D_and_X_Weighted_Contribution": -0.492227, "FDA_Category_D_and_X_Top_Rank": -0.0852223, "Placenta_Crossing_L1000_Similarity": 0.862785, "Placenta_Crossing_Structural_Similarity": -0.874149, "Placenta_Crossing_Weighted_Contribution": -0.502304, "Placenta_Crossing_Top_Rank": -0.0745874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CC(=O)NC1=O)C", "InChI_key": "HAPOVYFOVVWLRS-UHFFFAOYSA-N" } }, "CID:3292": { "type": "Drug", "properties": { "id": "CID:3292", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3292", "label": "ethotoin", "FDA_Category_D_L1000_Similarity": 1.24526, "FDA_Category_D_Structural_Similarity": -0.640512, "FDA_Category_D_Weighted_Contribution": -0.0313432, "FDA_Category_D_Top_Rank": -0.0444162, "FDA_Category_X_L1000_Similarity": 0.727492, "FDA_Category_X_Structural_Similarity": -0.394186, "FDA_Category_X_Weighted_Contribution": -0.150642, "FDA_Category_X_Top_Rank": -0.0785515, "FDA_Category_D_and_X_L1000_Similarity": 1.29435, "FDA_Category_D_and_X_Structural_Similarity": -0.721084, "FDA_Category_D_and_X_Weighted_Contribution": -0.129283, "FDA_Category_D_and_X_Top_Rank": -0.0475128, "Placenta_Crossing_L1000_Similarity": 0.66706, "Placenta_Crossing_Structural_Similarity": 0.289965, "Placenta_Crossing_Weighted_Contribution": 0.473577, "Placenta_Crossing_Top_Rank": -0.0752451, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C(=O)C(NC1=O)C2=CC=CC=C2", "InChI_key": "SZQIFWWUIBRPBZ-UHFFFAOYSA-N" } }, "CID:3293": { "type": "Drug", "properties": { "id": "CID:3293", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3293", "label": "Ethoxyquin", "FDA_Category_D_L1000_Similarity": -0.708129, "FDA_Category_D_Structural_Similarity": 0.220423, "FDA_Category_D_Weighted_Contribution": -0.286271, "FDA_Category_D_Top_Rank": -0.0793241, "FDA_Category_X_L1000_Similarity": 0.212108, "FDA_Category_X_Structural_Similarity": -0.620302, "FDA_Category_X_Weighted_Contribution": -0.573617, "FDA_Category_X_Top_Rank": -0.0858078, "FDA_Category_D_and_X_L1000_Similarity": -0.546009, "FDA_Category_D_and_X_Structural_Similarity": -0.15976, "FDA_Category_D_and_X_Weighted_Contribution": -0.520806, "FDA_Category_D_and_X_Top_Rank": -0.0894754, "Placenta_Crossing_L1000_Similarity": -0.262358, "Placenta_Crossing_Structural_Similarity": -0.811799, "Placenta_Crossing_Weighted_Contribution": -0.865592, "Placenta_Crossing_Top_Rank": -0.0898865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:33036": { "type": "Drug", "properties": { "id": "CID:33036", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/33036", "label": "dexchlorpheniramine", "ref": "LSM-5517", "FDA_Category_D_L1000_Similarity": -0.461534, "FDA_Category_D_Structural_Similarity": -0.874661, "FDA_Category_D_Weighted_Contribution": -0.984308, "FDA_Category_D_Top_Rank": -0.0949956, "FDA_Category_X_L1000_Similarity": 0.561146, "FDA_Category_X_Structural_Similarity": -0.749261, "FDA_Category_X_Weighted_Contribution": -0.536519, "FDA_Category_X_Top_Rank": -0.0816187, "FDA_Category_D_and_X_L1000_Similarity": -0.227432, "FDA_Category_D_and_X_Structural_Similarity": -1.09853, "FDA_Category_D_and_X_Weighted_Contribution": -1.02775, "FDA_Category_D_and_X_Top_Rank": -0.0938118, "Placenta_Crossing_L1000_Similarity": 0.0076523, "Placenta_Crossing_Structural_Similarity": -1.04317, "Placenta_Crossing_Weighted_Contribution": -0.925232, "Placenta_Crossing_Top_Rank": -0.0882987, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2", "InChI_key": "SOYKEARSMXGVTM-HNNXBMFYSA-N" } }, "CID:3310692": { "type": "Drug", "properties": { "id": "CID:3310692", "label": "leoidin", "lsm": "LSM-3362", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3310692", "FDA_Category_D_L1000_Similarity": 0.869976, "FDA_Category_D_Structural_Similarity": -0.236558, "FDA_Category_D_Weighted_Contribution": 0.144937, "FDA_Category_D_Top_Rank": -0.0728289, "FDA_Category_X_L1000_Similarity": -0.346236, "FDA_Category_X_Structural_Similarity": 0.174295, "FDA_Category_X_Weighted_Contribution": -0.121192, "FDA_Category_X_Top_Rank": -0.0741824, "FDA_Category_D_and_X_L1000_Similarity": 0.644793, "FDA_Category_D_and_X_Structural_Similarity": -0.0937102, "FDA_Category_D_and_X_Weighted_Contribution": 0.113706, "FDA_Category_D_and_X_Top_Rank": -0.0825438, "Placenta_Crossing_L1000_Similarity": 0.778402, "Placenta_Crossing_Structural_Similarity": 0.15611, "Placenta_Crossing_Weighted_Contribution": 0.394586, "Placenta_Crossing_Top_Rank": -0.0769491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=C(C(=C1Cl)OC)Cl)OC3=C(C(=C(C(=C3C)C(=O)OC)OC)C)OC2=O", "InChI_key": "PDTLWAZKMKQSLD-UHFFFAOYSA-N" } }, "CID:3334": { "type": "Drug", "properties": { "id": "CID:3334", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3334", "label": "fenbendazole", "FDA_Category_D_L1000_Similarity": 0.809723, "FDA_Category_D_Structural_Similarity": -0.415278, "FDA_Category_D_Weighted_Contribution": -0.0591389, "FDA_Category_D_Top_Rank": -0.0754041, "FDA_Category_X_L1000_Similarity": -0.968883, "FDA_Category_X_Structural_Similarity": -0.408673, "FDA_Category_X_Weighted_Contribution": -0.858075, "FDA_Category_X_Top_Rank": -0.0883442, "FDA_Category_D_and_X_L1000_Similarity": 0.403765, "FDA_Category_D_and_X_Structural_Similarity": -0.55013, "FDA_Category_D_and_X_Weighted_Contribution": -0.408675, "FDA_Category_D_and_X_Top_Rank": -0.0873935, "Placenta_Crossing_L1000_Similarity": -0.0717116, "Placenta_Crossing_Structural_Similarity": -0.74836, "Placenta_Crossing_Weighted_Contribution": -0.758849, "Placenta_Crossing_Top_Rank": -0.0887896, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3", "InChI_key": "HDDSHPAODJUKPD-UHFFFAOYSA-N" } }, "CID:3336": { "type": "Drug", "properties": { "id": "CID:3336", "label": "fendiline", "lsm": "LSM-5133", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3336", "IDG_ID": "1148", "FDA_Category_D_L1000_Similarity": -2.04213, "FDA_Category_D_Structural_Similarity": -0.290251, "FDA_Category_D_Weighted_Contribution": -1.17477, "FDA_Category_D_Top_Rank": -0.0912328, "FDA_Category_X_L1000_Similarity": 0.178097, "FDA_Category_X_Structural_Similarity": -0.322074, "FDA_Category_X_Weighted_Contribution": -0.335842, "FDA_Category_X_Top_Rank": -0.0861547, "FDA_Category_D_and_X_L1000_Similarity": -1.70627, "FDA_Category_D_and_X_Structural_Similarity": -0.404166, "FDA_Category_D_and_X_Weighted_Contribution": -1.10153, "FDA_Category_D_and_X_Top_Rank": -0.0930031, "Placenta_Crossing_L1000_Similarity": -1.80877, "Placenta_Crossing_Structural_Similarity": 0.100597, "Placenta_Crossing_Weighted_Contribution": -0.780922, "Placenta_Crossing_Top_Rank": -0.0800267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "NMKSAYKQLCHXDK-UHFFFAOYSA-N" } }, "CID:3342390": { "type": "Drug", "properties": { "id": "CID:3342390", "label": "brd-k97274161", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3342390", "FDA_Category_D_L1000_Similarity": -0.73245, "FDA_Category_D_Structural_Similarity": -0.130212, "FDA_Category_D_Weighted_Contribution": -0.58383, "FDA_Category_D_Top_Rank": -0.0881814, "FDA_Category_X_L1000_Similarity": 1.5511, "FDA_Category_X_Structural_Similarity": -0.311204, "FDA_Category_X_Weighted_Contribution": 0.344703, "FDA_Category_X_Top_Rank": -0.0437693, "FDA_Category_D_and_X_L1000_Similarity": -0.160352, "FDA_Category_D_and_X_Structural_Similarity": -0.271276, "FDA_Category_D_and_X_Weighted_Contribution": -0.438701, "FDA_Category_D_and_X_Top_Rank": -0.0912914, "Placenta_Crossing_L1000_Similarity": -0.334047, "Placenta_Crossing_Structural_Similarity": 2.99531, "Placenta_Crossing_Weighted_Contribution": 2.71265, "Placenta_Crossing_Top_Rank": 0.194364, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCN(CC3=CC=CC=C3)C(C)C", "InChI_key": "JEJWQCTZDAJWOX-UHFFFAOYSA-N" } }, "CID:3346": { "type": "Drug", "properties": { "id": "CID:3346", "label": "fenthion", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3346", "FDA_Category_D_L1000_Similarity": 0.233164, "FDA_Category_D_Structural_Similarity": 4.11859, "FDA_Category_D_Weighted_Contribution": 3.71108, "FDA_Category_D_Top_Rank": 0.572441, "FDA_Category_X_L1000_Similarity": 0.796286, "FDA_Category_X_Structural_Similarity": -0.245755, "FDA_Category_X_Weighted_Contribution": 0.0255903, "FDA_Category_X_Top_Rank": -0.0769891, "FDA_Category_D_and_X_L1000_Similarity": 0.442809, "FDA_Category_D_and_X_Structural_Similarity": 3.13637, "FDA_Category_D_and_X_Weighted_Contribution": 3.11508, "FDA_Category_D_and_X_Top_Rank": 0.251391, "Placenta_Crossing_L1000_Similarity": 0.405955, "Placenta_Crossing_Structural_Similarity": 2.85719, "Placenta_Crossing_Weighted_Contribution": 2.9066, "Placenta_Crossing_Top_Rank": 0.164527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC", "InChI_key": "PNVJTZOFSHSLTO-UHFFFAOYSA-N" } }, "CID:3352": { "type": "Drug", "properties": { "id": "CID:3352", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3352", "label": "fipronil", "FDA_Category_D_L1000_Similarity": -1.04568, "FDA_Category_D_Structural_Similarity": 0.558504, "FDA_Category_D_Weighted_Contribution": -0.162276, "FDA_Category_D_Top_Rank": -0.0690725, "FDA_Category_X_L1000_Similarity": -0.0801258, "FDA_Category_X_Structural_Similarity": -0.6205, "FDA_Category_X_Weighted_Contribution": -0.688394, "FDA_Category_X_Top_Rank": -0.0881063, "FDA_Category_D_and_X_L1000_Similarity": -0.925729, "FDA_Category_D_and_X_Structural_Similarity": 0.108472, "FDA_Category_D_and_X_Weighted_Contribution": -0.477739, "FDA_Category_D_and_X_Top_Rank": -0.083846, "Placenta_Crossing_L1000_Similarity": 0.529341, "Placenta_Crossing_Structural_Similarity": -0.833487, "Placenta_Crossing_Weighted_Contribution": -0.60085, "Placenta_Crossing_Top_Rank": -0.0824423, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F", "InChI_key": "ZOCSXAVNDGMNBV-UHFFFAOYSA-N" } }, "CID:3357": { "type": "Drug", "properties": { "id": "CID:3357", "label": "fleroxacin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3357", "FDA_Category_D_L1000_Similarity": 0.0703611, "FDA_Category_D_Structural_Similarity": 0.683979, "FDA_Category_D_Weighted_Contribution": 0.606269, "FDA_Category_D_Top_Rank": -0.0646954, "FDA_Category_X_L1000_Similarity": -0.262056, "FDA_Category_X_Structural_Similarity": -0.513253, "FDA_Category_X_Weighted_Contribution": -0.675998, "FDA_Category_X_Top_Rank": -0.0890918, "FDA_Category_D_and_X_L1000_Similarity": -0.0189371, "FDA_Category_D_and_X_Structural_Similarity": 0.265933, "FDA_Category_D_and_X_Weighted_Contribution": 0.101893, "FDA_Category_D_and_X_Top_Rank": -0.0802308, "Placenta_Crossing_L1000_Similarity": 0.0500295, "Placenta_Crossing_Structural_Similarity": 0.266959, "Placenta_Crossing_Weighted_Contribution": 0.138238, "Placenta_Crossing_Top_Rank": -0.0759324, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F", "InChI_key": "XBJBPGROQZJDOJ-UHFFFAOYSA-N" } }, "CID:3360": { "type": "Drug", "properties": { "id": "CID:3360", "label": "floctafenine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3360", "IDG_ID": "1178", "FDA_Category_D_L1000_Similarity": 0.152544, "FDA_Category_D_Structural_Similarity": -0.324343, "FDA_Category_D_Weighted_Contribution": -0.321309, "FDA_Category_D_Top_Rank": -0.0907384, "FDA_Category_X_L1000_Similarity": -0.354623, "FDA_Category_X_Structural_Similarity": -0.329857, "FDA_Category_X_Weighted_Contribution": -0.568096, "FDA_Category_X_Top_Rank": -0.0870266, "FDA_Category_D_and_X_L1000_Similarity": 0.0238049, "FDA_Category_D_and_X_Structural_Similarity": -0.435425, "FDA_Category_D_and_X_Weighted_Contribution": -0.486845, "FDA_Category_D_and_X_Top_Rank": -0.0919883, "Placenta_Crossing_L1000_Similarity": -0.0495153, "Placenta_Crossing_Structural_Similarity": 2.90946, "Placenta_Crossing_Weighted_Contribution": 2.76187, "Placenta_Crossing_Top_Rank": 0.173773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F", "InChI_key": "APQPGQGAWABJLN-UHFFFAOYSA-N" } }, "CID:33613": { "type": "Drug", "properties": { "id": "CID:33613", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/33613", "label": "amoxicillin", "ref": "LSM-5654", "FDA_Category_D_L1000_Similarity": -0.503829, "FDA_Category_D_Structural_Similarity": 0.0497672, "FDA_Category_D_Weighted_Contribution": -0.33005, "FDA_Category_D_Top_Rank": -0.0839328, "FDA_Category_X_L1000_Similarity": -1.19715, "FDA_Category_X_Structural_Similarity": -0.163629, "FDA_Category_X_Weighted_Contribution": -0.764715, "FDA_Category_X_Top_Rank": -0.0837525, "FDA_Category_D_and_X_L1000_Similarity": -0.797863, "FDA_Category_D_and_X_Structural_Similarity": -0.0487925, "FDA_Category_D_and_X_Weighted_Contribution": -0.543955, "FDA_Category_D_and_X_Top_Rank": -0.0872558, "Placenta_Crossing_L1000_Similarity": 0.0453645, "Placenta_Crossing_Structural_Similarity": 5.23645, "Placenta_Crossing_Weighted_Contribution": 4.01714, "Placenta_Crossing_Top_Rank": 1.22235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C", "InChI_key": "LSQZJLSUYDQPKJ-NJBDSQKTSA-N" } }, "CID:3366": { "type": "Drug", "properties": { "id": "CID:3366", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3366", "label": "flucytosine", "FDA_Category_D_L1000_Similarity": 0.574802, "FDA_Category_D_Structural_Similarity": -0.455499, "FDA_Category_D_Weighted_Contribution": -0.220371, "FDA_Category_D_Top_Rank": -0.0833098, "FDA_Category_X_L1000_Similarity": -0.742806, "FDA_Category_X_Structural_Similarity": -0.32619, "FDA_Category_X_Weighted_Contribution": -0.716629, "FDA_Category_X_Top_Rank": -0.0869667, "FDA_Category_D_and_X_L1000_Similarity": 0.269905, "FDA_Category_D_and_X_Structural_Similarity": -0.537547, "FDA_Category_D_and_X_Weighted_Contribution": -0.458646, "FDA_Category_D_and_X_Top_Rank": -0.0893785, "Placenta_Crossing_L1000_Similarity": -0.0811921, "Placenta_Crossing_Structural_Similarity": 0.662458, "Placenta_Crossing_Weighted_Contribution": 0.466289, "Placenta_Crossing_Top_Rank": -0.0643563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=O)NC(=C1F)N", "InChI_key": "XRECTZIEBJDKEO-UHFFFAOYSA-N" } }, "CID:3373": { "type": "Drug", "properties": { "id": "CID:3373", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3373", "label": "flumazenil", "ref": "LSM-4228", "FDA_Category_D_L1000_Similarity": 0.845723, "FDA_Category_D_Structural_Similarity": -0.675097, "FDA_Category_D_Weighted_Contribution": -0.273798, "FDA_Category_D_Top_Rank": -0.0739825, "FDA_Category_X_L1000_Similarity": 1.26598, "FDA_Category_X_Structural_Similarity": -0.613716, "FDA_Category_X_Weighted_Contribution": -0.103359, "FDA_Category_X_Top_Rank": -0.0609449, "FDA_Category_D_and_X_L1000_Similarity": 1.11349, "FDA_Category_D_and_X_Structural_Similarity": -0.866993, "FDA_Category_D_and_X_Weighted_Contribution": -0.342334, "FDA_Category_D_and_X_Top_Rank": -0.0616754, "Placenta_Crossing_L1000_Similarity": 1.36163, "Placenta_Crossing_Structural_Similarity": -0.862802, "Placenta_Crossing_Weighted_Contribution": -0.285442, "Placenta_Crossing_Top_Rank": -0.0516067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C", "InChI_key": "OFBIFZUFASYYRE-UHFFFAOYSA-N" } }, "CID:338": { "type": "Drug", "properties": { "id": "CID:338", "label": "salicylic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/338", "FDA_Category_D_L1000_Similarity": -0.029061, "FDA_Category_D_Structural_Similarity": 0.353439, "FDA_Category_D_Weighted_Contribution": 0.207461, "FDA_Category_D_Top_Rank": -0.0755903, "FDA_Category_X_L1000_Similarity": -0.221772, "FDA_Category_X_Structural_Similarity": -0.0954777, "FDA_Category_X_Weighted_Contribution": -0.312281, "FDA_Category_X_Top_Rank": -0.0821618, "FDA_Category_D_and_X_L1000_Similarity": -0.0923942, "FDA_Category_D_and_X_Structural_Similarity": 0.22901, "FDA_Category_D_and_X_Weighted_Contribution": 0.0283828, "FDA_Category_D_and_X_Top_Rank": -0.0810689, "Placenta_Crossing_L1000_Similarity": 0.442189, "Placenta_Crossing_Structural_Similarity": 2.56993, "Placenta_Crossing_Weighted_Contribution": 2.68571, "Placenta_Crossing_Top_Rank": 0.102221, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)O)O", "InChI_key": "YGSDEFSMJLZEOE-UHFFFAOYSA-N" } }, "CID:3385203": { "type": "Drug", "properties": { "id": "CID:3385203", "label": "gtp-14564", "lsm": "LSM-2363", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3385203", "FDA_Category_D_L1000_Similarity": -0.590844, "FDA_Category_D_Structural_Similarity": -0.630268, "FDA_Category_D_Weighted_Contribution": -0.878732, "FDA_Category_D_Top_Rank": -0.0953242, "FDA_Category_X_L1000_Similarity": -0.806672, "FDA_Category_X_Structural_Similarity": -0.50682, "FDA_Category_X_Weighted_Contribution": -0.869827, "FDA_Category_X_Top_Rank": -0.0899268, "FDA_Category_D_and_X_L1000_Similarity": -0.754287, "FDA_Category_D_and_X_Structural_Similarity": -0.77373, "FDA_Category_D_and_X_Weighted_Contribution": -1.01098, "FDA_Category_D_and_X_Top_Rank": -0.0958143, "Placenta_Crossing_L1000_Similarity": -0.779341, "Placenta_Crossing_Structural_Similarity": -0.945985, "Placenta_Crossing_Weighted_Contribution": -1.10015, "Placenta_Crossing_Top_Rank": -0.0914667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NNC3=C2OC4=CC=CC=C43", "InChI_key": "DZQLVVLATXPWBK-UHFFFAOYSA-N" } }, "CID:3392731": { "type": "Drug", "properties": { "id": "CID:3392731", "label": "gw-7647", "lsm": "LSM-4172", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3392731", "FDA_Category_D_L1000_Similarity": 1.48624, "FDA_Category_D_Structural_Similarity": -0.588144, "FDA_Category_D_Weighted_Contribution": 0.154023, "FDA_Category_D_Top_Rank": -0.0115468, "FDA_Category_X_L1000_Similarity": 0.635442, "FDA_Category_X_Structural_Similarity": -0.64202, "FDA_Category_X_Weighted_Contribution": -0.41533, "FDA_Category_X_Top_Rank": -0.0804856, "FDA_Category_D_and_X_L1000_Similarity": 1.47413, "FDA_Category_D_and_X_Structural_Similarity": -0.813249, "FDA_Category_D_and_X_Weighted_Contribution": -0.121588, "FDA_Category_D_and_X_Top_Rank": -0.0270929, "Placenta_Crossing_L1000_Similarity": 1.49192, "Placenta_Crossing_Structural_Similarity": 0.141839, "Placenta_Crossing_Weighted_Contribution": 0.756154, "Placenta_Crossing_Top_Rank": -0.0407833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3", "InChI_key": "PKNYXWMTHFMHKD-UHFFFAOYSA-N" } }, "CID:3410883": { "type": "Drug", "properties": { "id": "CID:3410883", "label": "bu-226", "lsm": "LSM-3251", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3410883", "FDA_Category_D_L1000_Similarity": -0.395062, "FDA_Category_D_Structural_Similarity": 1.24619, "FDA_Category_D_Weighted_Contribution": 0.916933, "FDA_Category_D_Top_Rank": -0.0376542, "FDA_Category_X_L1000_Similarity": 0.522242, "FDA_Category_X_Structural_Similarity": -0.0707248, "FDA_Category_X_Weighted_Contribution": 0.0631491, "FDA_Category_X_Top_Rank": -0.0814644, "FDA_Category_D_and_X_L1000_Similarity": -0.181964, "FDA_Category_D_and_X_Structural_Similarity": 0.950956, "FDA_Category_D_and_X_Weighted_Contribution": 0.697544, "FDA_Category_D_and_X_Top_Rank": -0.055824, "Placenta_Crossing_L1000_Similarity": 0.71931, "Placenta_Crossing_Structural_Similarity": -0.155975, "Placenta_Crossing_Weighted_Contribution": 0.0584445, "Placenta_Crossing_Top_Rank": -0.0784516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)C2=CC3=CC=CC=C3C=N2", "InChI_key": "ZXRSVNHYTSSFMN-UHFFFAOYSA-N" } }, "CID:34521": { "type": "Drug", "properties": { "id": "CID:34521", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID34521", "label": "toloxatone", "FDA_Category_D_L1000_Similarity": -0.423201, "FDA_Category_D_Structural_Similarity": 0.422621, "FDA_Category_D_Weighted_Contribution": 0.0501116, "FDA_Category_D_Top_Rank": -0.0736987, "FDA_Category_X_L1000_Similarity": 0.443617, "FDA_Category_X_Structural_Similarity": -0.583127, "FDA_Category_X_Weighted_Contribution": -0.44703, "FDA_Category_X_Top_Rank": -0.0832191, "FDA_Category_D_and_X_L1000_Similarity": -0.230095, "FDA_Category_D_and_X_Structural_Similarity": 0.020787, "FDA_Category_D_and_X_Weighted_Contribution": -0.22828, "FDA_Category_D_and_X_Top_Rank": -0.0858879, "Placenta_Crossing_L1000_Similarity": -0.419686, "Placenta_Crossing_Structural_Similarity": 1.76118, "Placenta_Crossing_Weighted_Contribution": 1.45526, "Placenta_Crossing_Top_Rank": 0.00640846, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)N2CC(OC2=O)CO", "InChI_key": "MXUNKHLAEDCYJL-UHFFFAOYSA-N" } }, "CID:3455588": { "type": "Drug", "properties": { "id": "CID:3455588", "label": "st-4075437", "lsm": "LSM-4616", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3455588", "FDA_Category_D_L1000_Similarity": 0.233838, "FDA_Category_X_L1000_Similarity": 0.214314, "FDA_Category_D_and_X_L1000_Similarity": 0.26665, "Placenta_Crossing_L1000_Similarity": 0.358859, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC3CC1CC(C2)(C3)CCNS(=O)(=O)C4=CC=CC(=C4)C(=O)NC5=CC=CC=C5", "InChI_key": "RVOGIHDWXHIJKV-UHFFFAOYSA-N" } }, "CID:3456": { "type": "Drug", "properties": { "id": "CID:3456", "label": "gbr-12935", "lsm": "LSM-3101", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3456", "FDA_Category_D_L1000_Similarity": -0.0128368, "FDA_Category_D_Structural_Similarity": 2.09416, "FDA_Category_D_Weighted_Contribution": 2.07033, "FDA_Category_D_Top_Rank": 0.0657615, "FDA_Category_X_L1000_Similarity": 1.03741, "FDA_Category_X_Structural_Similarity": -0.61291, "FDA_Category_X_Weighted_Contribution": -0.209953, "FDA_Category_X_Top_Rank": -0.0702982, "FDA_Category_D_and_X_L1000_Similarity": 0.303979, "FDA_Category_D_and_X_Structural_Similarity": 1.33144, "FDA_Category_D_and_X_Weighted_Contribution": 1.39292, "FDA_Category_D_and_X_Top_Rank": -0.0282796, "Placenta_Crossing_L1000_Similarity": -0.155687, "Placenta_Crossing_Structural_Similarity": -0.904894, "Placenta_Crossing_Weighted_Contribution": -0.890511, "Placenta_Crossing_Top_Rank": -0.0893119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4", "InChI_key": "RAQPOZGWANIDQT-UHFFFAOYSA-N" } }, "CID:345945": { "type": "Drug", "properties": { "id": "CID:345945", "label": "RAN-30", "lsm": "LSM-4816", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/345945", "FDA_Category_D_L1000_Similarity": 0.590053, "FDA_Category_D_Structural_Similarity": 1.62711, "FDA_Category_D_Weighted_Contribution": 1.95262, "FDA_Category_D_Top_Rank": -0.00256479, "FDA_Category_X_L1000_Similarity": 0.244867, "FDA_Category_X_Structural_Similarity": -0.573388, "FDA_Category_X_Weighted_Contribution": -0.522066, "FDA_Category_X_Top_Rank": -0.0855119, "FDA_Category_D_and_X_L1000_Similarity": 0.582999, "FDA_Category_D_and_X_Structural_Similarity": 0.982061, "FDA_Category_D_and_X_Weighted_Contribution": 1.18644, "FDA_Category_D_and_X_Top_Rank": -0.0542179, "Placenta_Crossing_L1000_Similarity": 0.496154, "Placenta_Crossing_Structural_Similarity": 0.828558, "Placenta_Crossing_Weighted_Contribution": 0.950162, "Placenta_Crossing_Top_Rank": -0.0585408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3463933": { "type": "Drug", "properties": { "id": "CID:3463933", "label": "FH-535", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3463933", "FDA_Category_D_L1000_Similarity": -0.399094, "FDA_Category_D_Structural_Similarity": 1.75843, "FDA_Category_D_Weighted_Contribution": 1.47387, "FDA_Category_D_Top_Rank": 0.0140595, "FDA_Category_X_L1000_Similarity": 0.438834, "FDA_Category_X_Structural_Similarity": 0.293811, "FDA_Category_X_Weighted_Contribution": 0.39601, "FDA_Category_X_Top_Rank": -0.0700273, "FDA_Category_D_and_X_L1000_Similarity": -0.210766, "FDA_Category_D_and_X_Structural_Similarity": 1.55423, "FDA_Category_D_and_X_Weighted_Contribution": 1.32266, "FDA_Category_D_and_X_Top_Rank": -0.00967992, "Placenta_Crossing_L1000_Similarity": 0.0630087, "Placenta_Crossing_Structural_Similarity": 2.48032, "Placenta_Crossing_Weighted_Contribution": 2.43401, "Placenta_Crossing_Top_Rank": 0.0852256, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3467177": { "type": "Drug", "properties": { "id": "CID:3467177", "label": "dh-97", "lsm": "LSM-2108", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3467177", "FDA_Category_D_L1000_Similarity": 0.393137, "FDA_Category_D_Structural_Similarity": -0.826454, "FDA_Category_D_Weighted_Contribution": -0.612041, "FDA_Category_D_Top_Rank": -0.087308, "FDA_Category_X_L1000_Similarity": -0.643935, "FDA_Category_X_Structural_Similarity": -0.56671, "FDA_Category_X_Weighted_Contribution": -0.854898, "FDA_Category_X_Top_Rank": -0.0904906, "FDA_Category_D_and_X_L1000_Similarity": 0.143339, "FDA_Category_D_and_X_Structural_Similarity": -0.961762, "FDA_Category_D_and_X_Weighted_Contribution": -0.817326, "FDA_Category_D_and_X_Top_Rank": -0.090891, "Placenta_Crossing_L1000_Similarity": 0.0561725, "Placenta_Crossing_Structural_Similarity": -0.920399, "Placenta_Crossing_Weighted_Contribution": -0.83105, "Placenta_Crossing_Top_Rank": -0.087903, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3", "InChI_key": "HDOIPCLEKCEANF-UHFFFAOYSA-N" } }, "CID:34677": { "type": "Drug", "properties": { "id": "CID:34677", "label": "2-aminotetralin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/34677", "FDA_Category_D_L1000_Similarity": -0.0653772, "FDA_Category_D_Structural_Similarity": 2.62586, "FDA_Category_D_Weighted_Contribution": 2.5575, "FDA_Category_D_Top_Rank": 0.153224, "FDA_Category_X_L1000_Similarity": -0.96665, "FDA_Category_X_Structural_Similarity": 0.807158, "FDA_Category_X_Weighted_Contribution": 0.197428, "FDA_Category_X_Top_Rank": -0.0496619, "FDA_Category_D_and_X_L1000_Similarity": -0.349913, "FDA_Category_D_and_X_Structural_Similarity": 2.51972, "FDA_Category_D_and_X_Weighted_Contribution": 2.2345, "FDA_Category_D_and_X_Top_Rank": 0.109617, "Placenta_Crossing_L1000_Similarity": -0.284162, "Placenta_Crossing_Structural_Similarity": 1.60784, "Placenta_Crossing_Weighted_Contribution": 1.36415, "Placenta_Crossing_Top_Rank": -0.0121035, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3478439": { "type": "Drug", "properties": { "id": "CID:3478439", "label": "fulvestrant", "lsm": "LSM-4986", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3478439", "IDG_ID": "1255", "FDA_Category_D_L1000_Similarity": -1.79862, "FDA_Category_D_Structural_Similarity": -0.42761, "FDA_Category_D_Weighted_Contribution": -1.17207, "FDA_Category_D_Top_Rank": -0.0932701, "FDA_Category_X_L1000_Similarity": 0.16656, "FDA_Category_X_Structural_Similarity": -0.121539, "FDA_Category_X_Weighted_Contribution": -0.1582, "FDA_Category_X_Top_Rank": -0.0827984, "FDA_Category_D_and_X_L1000_Similarity": -1.49985, "FDA_Category_D_and_X_Structural_Similarity": -0.404982, "FDA_Category_D_and_X_Weighted_Contribution": -1.03885, "FDA_Category_D_and_X_Top_Rank": -0.0930171, "Placenta_Crossing_L1000_Similarity": -1.85236, "Placenta_Crossing_Structural_Similarity": -0.469435, "Placenta_Crossing_Weighted_Contribution": -1.13618, "Placenta_Crossing_Top_Rank": -0.0894143, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F", "InChI_key": "VWUXBMIQPBEWFH-UHFFFAOYSA-N" } }, "CID:35026803": { "type": "Drug", "properties": { "id": "CID:35026803", "label": "cay-10470", "lsm": "LSM-5250", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/35026803", "FDA_Category_D_L1000_Similarity": -1.48566, "FDA_Category_X_L1000_Similarity": 1.26334, "FDA_Category_D_and_X_L1000_Similarity": -0.897009, "Placenta_Crossing_L1000_Similarity": -1.89062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1NC2=C(C=C(C=C2)N)C(=N1)NCCC3=CC=C(C=C3)OC4=CC=CC=C4", "InChI_key": "GGBVTWRQPMDRCK-UHFFFAOYSA-N" } }, "CID:35028748": { "type": "Drug", "properties": { "id": "CID:35028748", "label": "cay-10585", "lsm": "LSM-5939", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/35028748", "FDA_Category_D_L1000_Similarity": -0.375815, "FDA_Category_D_Structural_Similarity": -0.055382, "FDA_Category_D_Weighted_Contribution": -0.355626, "FDA_Category_D_Top_Rank": -0.0864677, "FDA_Category_X_L1000_Similarity": -1.14186, "FDA_Category_X_Structural_Similarity": 0.0193215, "FDA_Category_X_Weighted_Contribution": -0.60393, "FDA_Category_X_Top_Rank": -0.0793065, "FDA_Category_D_and_X_L1000_Similarity": -0.670719, "FDA_Category_D_and_X_Structural_Similarity": -0.0335317, "FDA_Category_D_and_X_Weighted_Contribution": -0.476996, "FDA_Category_D_and_X_Top_Rank": -0.0870223, "Placenta_Crossing_L1000_Similarity": -0.49873, "Placenta_Crossing_Structural_Similarity": -0.496833, "Placenta_Crossing_Weighted_Contribution": -0.734654, "Placenta_Crossing_Top_Rank": -0.0896499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)C3C4CC5CC(C4)CC3C5", "InChI_key": "CSCOJWVRGOZGPK-UHFFFAOYSA-N" } }, "CID:3505": { "type": "Drug", "properties": { "id": "CID:3505", "label": "gr-89696", "lsm": "LSM-1919", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3505", "FDA_Category_D_L1000_Similarity": 0.500193, "FDA_Category_D_Structural_Similarity": 0.334726, "FDA_Category_D_Weighted_Contribution": 0.503876, "FDA_Category_D_Top_Rank": -0.076273, "FDA_Category_X_L1000_Similarity": -0.838001, "FDA_Category_X_Structural_Similarity": -0.273281, "FDA_Category_X_Weighted_Contribution": -0.712662, "FDA_Category_X_Top_Rank": -0.0860115, "FDA_Category_D_and_X_L1000_Similarity": 0.176693, "FDA_Category_D_and_X_Structural_Similarity": 0.118215, "FDA_Category_D_and_X_Weighted_Contribution": 0.0659097, "FDA_Category_D_and_X_Top_Rank": -0.0835594, "Placenta_Crossing_L1000_Similarity": 0.949184, "Placenta_Crossing_Structural_Similarity": -0.684436, "Placenta_Crossing_Weighted_Contribution": -0.311718, "Placenta_Crossing_Top_Rank": -0.0721929, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl", "InChI_key": "HJUAKZYKCANOOZ-UHFFFAOYSA-N" } }, "CID:3518": { "type": "Drug", "properties": { "id": "CID:3518", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3518", "label": "guanethidine", "FDA_Category_D_L1000_Similarity": 0.58212, "FDA_Category_D_Structural_Similarity": -0.849698, "FDA_Category_D_Weighted_Contribution": -0.544981, "FDA_Category_D_Top_Rank": -0.0830884, "FDA_Category_X_L1000_Similarity": -0.471558, "FDA_Category_X_Structural_Similarity": 1.8725, "FDA_Category_X_Weighted_Contribution": 1.65555, "FDA_Category_X_Top_Rank": 0.0254827, "FDA_Category_D_and_X_L1000_Similarity": 0.35859, "FDA_Category_D_and_X_Structural_Similarity": 0.335977, "FDA_Category_D_and_X_Weighted_Contribution": 0.377271, "FDA_Category_D_and_X_Top_Rank": -0.0785785, "Placenta_Crossing_L1000_Similarity": 0.320803, "Placenta_Crossing_Structural_Similarity": -0.825989, "Placenta_Crossing_Weighted_Contribution": -0.673161, "Placenta_Crossing_Top_Rank": -0.0854029, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCCN(CCC1)CCN=C(N)N", "InChI_key": "ACGDKVXYNVEAGU-UHFFFAOYSA-N" } }, "CID:3519": { "type": "Drug", "properties": { "id": "CID:3519", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3519", "label": "guanfacine", "FDA_Category_D_L1000_Similarity": 1.42988, "FDA_Category_D_Structural_Similarity": -0.192108, "FDA_Category_D_Weighted_Contribution": 0.522225, "FDA_Category_D_Top_Rank": -0.0207447, "FDA_Category_X_L1000_Similarity": 2.46756, "FDA_Category_X_Structural_Similarity": -0.425482, "FDA_Category_X_Weighted_Contribution": 0.71804, "FDA_Category_X_Top_Rank": 0.139722, "FDA_Category_D_and_X_L1000_Similarity": 1.98193, "FDA_Category_D_and_X_Structural_Similarity": -0.382067, "FDA_Category_D_and_X_Weighted_Contribution": 0.572769, "FDA_Category_D_and_X_Top_Rank": 0.0883514, "Placenta_Crossing_L1000_Similarity": 1.74203, "Placenta_Crossing_Structural_Similarity": 0.166408, "Placenta_Crossing_Weighted_Contribution": 0.917827, "Placenta_Crossing_Top_Rank": -0.00897334, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl", "InChI_key": "INJOMKTZOLKMBF-UHFFFAOYSA-N" } }, "CID:3538": { "type": "Drug", "properties": { "id": "CID:3538", "label": "gyki-52466", "lsm": "LSM-2530", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3538", "FDA_Category_D_L1000_Similarity": 1.19676, "FDA_Category_D_Structural_Similarity": -0.619476, "FDA_Category_D_Weighted_Contribution": -0.03823, "FDA_Category_D_Top_Rank": -0.0490604, "FDA_Category_X_L1000_Similarity": 0.270936, "FDA_Category_X_Structural_Similarity": -0.419382, "FDA_Category_X_Weighted_Contribution": -0.380504, "FDA_Category_X_Top_Rank": -0.0852222, "FDA_Category_D_and_X_L1000_Similarity": 1.11391, "FDA_Category_D_and_X_Structural_Similarity": -0.717983, "FDA_Category_D_and_X_Weighted_Contribution": -0.215601, "FDA_Category_D_and_X_Top_Rank": -0.0615858, "Placenta_Crossing_L1000_Similarity": 1.34323, "Placenta_Crossing_Structural_Similarity": -0.595707, "Placenta_Crossing_Weighted_Contribution": -0.0565965, "Placenta_Crossing_Top_Rank": -0.0528237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N", "InChI_key": "LFBZZHVSGAHQPP-UHFFFAOYSA-N" } }, "CID:3539719": { "type": "Drug", "properties": { "id": "CID:3539719", "label": "3-methyl-gaba", "lsm": "LSM-4455", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3539719", "FDA_Category_D_L1000_Similarity": 0.46993, "FDA_Category_D_Structural_Similarity": 0.690663, "FDA_Category_D_Weighted_Contribution": 0.863829, "FDA_Category_D_Top_Rank": -0.0644885, "FDA_Category_X_L1000_Similarity": -0.726263, "FDA_Category_X_Structural_Similarity": -0.23749, "FDA_Category_X_Weighted_Contribution": -0.64237, "FDA_Category_X_Top_Rank": -0.0852758, "FDA_Category_D_and_X_L1000_Similarity": 0.184532, "FDA_Category_D_and_X_Structural_Similarity": 0.42004, "FDA_Category_D_and_X_Weighted_Contribution": 0.363731, "FDA_Category_D_and_X_Top_Rank": -0.0762995, "Placenta_Crossing_L1000_Similarity": -0.558039, "Placenta_Crossing_Structural_Similarity": 1.0838, "Placenta_Crossing_Weighted_Contribution": 0.652682, "Placenta_Crossing_Top_Rank": -0.0463608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC(=O)O)CN", "InChI_key": "CZGLBWZXGIAIBU-UHFFFAOYSA-N" } }, "CID:3540": { "type": "Drug", "properties": { "id": "CID:3540", "label": "n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide", "lsm": "LSM-2410", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3540", "FDA_Category_D_L1000_Similarity": 1.28592, "FDA_Category_D_Structural_Similarity": -0.837175, "FDA_Category_D_Weighted_Contribution": -0.189488, "FDA_Category_D_Top_Rank": -0.0388993, "FDA_Category_X_L1000_Similarity": -0.232919, "FDA_Category_X_Structural_Similarity": -0.6507, "FDA_Category_X_Weighted_Contribution": -0.768056, "FDA_Category_X_Top_Rank": -0.0889682, "FDA_Category_D_and_X_L1000_Similarity": 1.03774, "FDA_Category_D_and_X_Structural_Similarity": -1.01559, "FDA_Category_D_and_X_Weighted_Contribution": -0.496045, "FDA_Category_D_and_X_Top_Rank": -0.0667483, "Placenta_Crossing_L1000_Similarity": 1.22732, "Placenta_Crossing_Structural_Similarity": -0.73938, "Placenta_Crossing_Weighted_Contribution": -0.237765, "Placenta_Crossing_Top_Rank": -0.0605134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2", "InChI_key": "PJWUXKNZVMEPPH-UHFFFAOYSA-N" } }, "CID:3546": { "type": "Drug", "properties": { "id": "CID:3546", "label": "ha-1004", "lsm": "LSM-2096", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3546", "FDA_Category_D_L1000_Similarity": 0.534755, "FDA_Category_D_Structural_Similarity": -0.802272, "FDA_Category_D_Weighted_Contribution": -0.529584, "FDA_Category_D_Top_Rank": -0.0844085, "FDA_Category_X_L1000_Similarity": 1.5666, "FDA_Category_X_Structural_Similarity": 1.66847, "FDA_Category_X_Weighted_Contribution": 2.53004, "FDA_Category_X_Top_Rank": 0.00333199, "FDA_Category_D_and_X_L1000_Similarity": 0.936717, "FDA_Category_D_and_X_Structural_Similarity": 0.263525, "FDA_Category_D_and_X_Weighted_Contribution": 0.634601, "FDA_Category_D_and_X_Top_Rank": -0.0725014, "Placenta_Crossing_L1000_Similarity": 2.05152, "Placenta_Crossing_Structural_Similarity": 1.04614, "Placenta_Crossing_Weighted_Contribution": 2.0204, "Placenta_Crossing_Top_Rank": 0.056825, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N", "InChI_key": "MZNDNBFMSVMUCX-UHFFFAOYSA-N" } }, "CID:3549": { "type": "Drug", "properties": { "id": "CID:3549", "label": "ha-14-1", "lsm": "LSM-4973", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3549", "FDA_Category_D_L1000_Similarity": -0.390722, "FDA_Category_X_L1000_Similarity": 0.140681, "FDA_Category_D_and_X_L1000_Similarity": -0.294085, "Placenta_Crossing_L1000_Similarity": 0.276561, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N", "InChI_key": "SXJDCULZDFWMJC-UHFFFAOYSA-N" } }, "CID:3550807": { "type": "Drug", "properties": { "id": "CID:3550807", "label": "emf-sumo1-7", "lsm": "LSM-4646", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3550807", "FDA_Category_D_L1000_Similarity": 0.893942, "FDA_Category_D_Structural_Similarity": -0.469092, "FDA_Category_D_Weighted_Contribution": -0.0633125, "FDA_Category_D_Top_Rank": -0.0717354, "FDA_Category_X_L1000_Similarity": 0.38213, "FDA_Category_X_Structural_Similarity": -0.44863, "FDA_Category_X_Weighted_Contribution": -0.357413, "FDA_Category_X_Top_Rank": -0.0839762, "FDA_Category_D_and_X_L1000_Similarity": 0.886642, "FDA_Category_D_and_X_Structural_Similarity": -0.614403, "FDA_Category_D_and_X_Weighted_Contribution": -0.23621, "FDA_Category_D_and_X_Top_Rank": -0.0747303, "Placenta_Crossing_L1000_Similarity": 0.0917618, "Placenta_Crossing_Structural_Similarity": -0.454351, "Placenta_Crossing_Weighted_Contribution": -0.479714, "Placenta_Crossing_Top_Rank": -0.0876249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC3CC1CC(C2)(C3)C(=O)NNS(=O)(=O)C4=C(C(=C(C=C4F)F)Cl)F", "InChI_key": "IMAHIZOAEFWBHO-UHFFFAOYSA-N" } }, "CID:3610": { "type": "Drug", "properties": { "id": "CID:3610", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3610", "label": "hexylresorcinol", "FDA_Category_D_L1000_Similarity": 0.271211, "FDA_Category_D_Structural_Similarity": -0.409392, "FDA_Category_D_Weighted_Contribution": -0.334565, "FDA_Category_D_Top_Rank": -0.0892611, "FDA_Category_X_L1000_Similarity": 0.377228, "FDA_Category_X_Structural_Similarity": -0.414086, "FDA_Category_X_Weighted_Contribution": -0.329074, "FDA_Category_X_Top_Rank": -0.0840623, "FDA_Category_D_and_X_L1000_Similarity": 0.348341, "FDA_Category_D_and_X_Structural_Similarity": -0.548379, "FDA_Category_D_and_X_Weighted_Contribution": -0.432263, "FDA_Category_D_and_X_Top_Rank": -0.0882597, "Placenta_Crossing_L1000_Similarity": 0.0254738, "Placenta_Crossing_Structural_Similarity": -0.425784, "Placenta_Crossing_Weighted_Contribution": -0.483721, "Placenta_Crossing_Top_Rank": -0.0881612, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCC1=C(C=C(C=C1)O)O", "InChI_key": "WFJIVOKAWHGMBH-UHFFFAOYSA-N" } }, "CID:3616": { "type": "Drug", "properties": { "id": "CID:3616", "label": "hexamethylenebisacetamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3616", "FDA_Category_D_L1000_Similarity": 0.984464, "FDA_Category_D_Structural_Similarity": -0.919068, "FDA_Category_D_Weighted_Contribution": -0.41162, "FDA_Category_D_Top_Rank": -0.066108, "FDA_Category_X_L1000_Similarity": -0.210018, "FDA_Category_X_Structural_Similarity": -0.356142, "FDA_Category_X_Weighted_Contribution": -0.530599, "FDA_Category_X_Top_Rank": -0.0874772, "FDA_Category_D_and_X_L1000_Similarity": 0.784848, "FDA_Category_D_and_X_Structural_Similarity": -0.921649, "FDA_Category_D_and_X_Weighted_Contribution": -0.532985, "FDA_Category_D_and_X_Top_Rank": -0.0783151, "Placenta_Crossing_L1000_Similarity": 0.766723, "Placenta_Crossing_Structural_Similarity": -0.902573, "Placenta_Crossing_Weighted_Contribution": -0.562021, "Placenta_Crossing_Top_Rank": -0.0772978, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCCCCCCNC(=O)C", "InChI_key": "BNQSTAOJRULKNX-UHFFFAOYSA-N" } }, "CID:3634": { "type": "Drug", "properties": { "id": "CID:3634", "label": "hycanthone", "lsm": "LSM-5614", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3634", "IDG_ID": "1383", "FDA_Category_D_L1000_Similarity": -0.182635, "FDA_Category_D_Structural_Similarity": -0.770456, "FDA_Category_D_Weighted_Contribution": -0.813231, "FDA_Category_D_Top_Rank": -0.0935817, "FDA_Category_X_L1000_Similarity": -1.62145, "FDA_Category_X_Structural_Similarity": -0.539438, "FDA_Category_X_Weighted_Contribution": -1.14618, "FDA_Category_X_Top_Rank": -0.0903382, "FDA_Category_D_and_X_L1000_Similarity": -0.649838, "FDA_Category_D_and_X_Structural_Similarity": -0.9026, "FDA_Category_D_and_X_Weighted_Contribution": -1.05063, "FDA_Category_D_and_X_Top_Rank": -0.0955266, "Placenta_Crossing_L1000_Similarity": -1.63954, "Placenta_Crossing_Structural_Similarity": 0.0215253, "Placenta_Crossing_Weighted_Contribution": -0.776306, "Placenta_Crossing_Top_Rank": -0.0818827, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O", "InChI_key": "MFZWMTSUNYWVBU-UHFFFAOYSA-N" } }, "CID:3639": { "type": "Drug", "properties": { "id": "CID:3639", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3639", "label": "hydrochlorothiazide", "ref": "LSM-5308", "FDA_Category_D_L1000_Similarity": 0.073274, "FDA_Category_D_Structural_Similarity": 3.04214, "FDA_Category_D_Weighted_Contribution": 2.98107, "FDA_Category_D_Top_Rank": 0.238676, "FDA_Category_X_L1000_Similarity": -0.866784, "FDA_Category_X_Structural_Similarity": 0.874724, "FDA_Category_X_Weighted_Contribution": 0.319449, "FDA_Category_X_Top_Rank": -0.046399, "FDA_Category_D_and_X_L1000_Similarity": -0.200051, "FDA_Category_D_and_X_Structural_Similarity": 2.88658, "FDA_Category_D_and_X_Weighted_Contribution": 2.64388, "FDA_Category_D_and_X_Top_Rank": 0.17434, "Placenta_Crossing_L1000_Similarity": 0.717676, "Placenta_Crossing_Structural_Similarity": 2.36665, "Placenta_Crossing_Weighted_Contribution": 2.63073, "Placenta_Crossing_Top_Rank": 0.072487, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl", "InChI_key": "JZUFKLXOESDKRF-UHFFFAOYSA-N" } }, "CID:364622": { "type": "Drug", "properties": { "id": "CID:364622", "label": "mnitmt", "lsm": "LSM-3401", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/364622", "FDA_Category_D_L1000_Similarity": 0.28645, "FDA_Category_D_Structural_Similarity": 1.84981, "FDA_Category_D_Weighted_Contribution": 1.99926, "FDA_Category_D_Top_Rank": 0.0253329, "FDA_Category_X_L1000_Similarity": -0.303842, "FDA_Category_X_Structural_Similarity": -0.305325, "FDA_Category_X_Weighted_Contribution": -0.527424, "FDA_Category_X_Top_Rank": -0.0866097, "FDA_Category_D_and_X_L1000_Similarity": 0.154647, "FDA_Category_D_and_X_Structural_Similarity": 1.30347, "FDA_Category_D_and_X_Weighted_Contribution": 1.27352, "FDA_Category_D_and_X_Top_Rank": -0.0312701, "Placenta_Crossing_L1000_Similarity": 0.787329, "Placenta_Crossing_Structural_Similarity": -0.626894, "Placenta_Crossing_Weighted_Contribution": -0.332452, "Placenta_Crossing_Top_Rank": -0.0766842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]", "InChI_key": "NMBDIMPYACLUDE-UHFFFAOYSA-N" } }, "CID:3647": { "type": "Drug", "properties": { "id": "CID:3647", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3647", "label": "hydroflumethiazide", "FDA_Category_D_L1000_Similarity": 0.443086, "FDA_Category_D_Structural_Similarity": 4.63231, "FDA_Category_D_Weighted_Contribution": 3.96701, "FDA_Category_D_Top_Rank": 0.904301, "FDA_Category_X_L1000_Similarity": 1.33778, "FDA_Category_X_Structural_Similarity": 0.448018, "FDA_Category_X_Weighted_Contribution": 1.06471, "FDA_Category_X_Top_Rank": -0.0569068, "FDA_Category_D_and_X_L1000_Similarity": 0.788206, "FDA_Category_D_and_X_Structural_Similarity": 3.91848, "FDA_Category_D_and_X_Weighted_Contribution": 3.66265, "FDA_Category_D_and_X_Top_Rank": 0.662535, "Placenta_Crossing_L1000_Similarity": 1.76372, "Placenta_Crossing_Structural_Similarity": 3.48345, "Placenta_Crossing_Weighted_Contribution": 3.70635, "Placenta_Crossing_Top_Rank": 0.356697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1", "InChI_key": "DMDGGSIALPNSEE-UHFFFAOYSA-N" } }, "CID:3654103": { "type": "Drug", "properties": { "id": "CID:3654103", "label": "brl-15572", "lsm": "LSM-1618", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3654103", "FDA_Category_D_L1000_Similarity": 0.125068, "FDA_Category_D_Structural_Similarity": -0.64006, "FDA_Category_D_Weighted_Contribution": -0.589713, "FDA_Category_D_Top_Rank": -0.0910092, "FDA_Category_X_L1000_Similarity": 1.17787, "FDA_Category_X_Structural_Similarity": -0.453669, "FDA_Category_X_Weighted_Contribution": 0.00888401, "FDA_Category_X_Top_Rank": -0.0653744, "FDA_Category_D_and_X_L1000_Similarity": 0.465504, "FDA_Category_D_and_X_Structural_Similarity": -0.752822, "FDA_Category_D_and_X_Weighted_Contribution": -0.540773, "FDA_Category_D_and_X_Top_Rank": -0.0863079, "Placenta_Crossing_L1000_Similarity": 0.422412, "Placenta_Crossing_Structural_Similarity": 0.757976, "Placenta_Crossing_Weighted_Contribution": 0.834457, "Placenta_Crossing_Top_Rank": -0.0610342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl", "InChI_key": "QJHCTHPYUOXOGM-UHFFFAOYSA-N" } }, "CID:3678": { "type": "Drug", "properties": { "id": "CID:3678", "label": "alverine", "lsm": "LSM-3988", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3678", "FDA_Category_D_L1000_Similarity": 0.337152, "FDA_Category_D_Structural_Similarity": 0.0759516, "FDA_Category_D_Weighted_Contribution": 0.145422, "FDA_Category_D_Top_Rank": -0.0832756, "FDA_Category_X_L1000_Similarity": 0.457914, "FDA_Category_X_Structural_Similarity": 0.694495, "FDA_Category_X_Weighted_Contribution": 0.84567, "FDA_Category_X_Top_Rank": -0.0543285, "FDA_Category_D_and_X_L1000_Similarity": 0.429692, "FDA_Category_D_and_X_Structural_Similarity": 0.435031, "FDA_Category_D_and_X_Weighted_Contribution": 0.518209, "FDA_Category_D_and_X_Top_Rank": -0.0758435, "Placenta_Crossing_L1000_Similarity": 0.577178, "Placenta_Crossing_Structural_Similarity": 0.896978, "Placenta_Crossing_Weighted_Contribution": 1.06817, "Placenta_Crossing_Top_Rank": -0.0553175, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2", "InChI_key": "ZPFXAOWNKLFJDN-UHFFFAOYSA-N" } }, "CID:36811": { "type": "Drug", "properties": { "id": "CID:36811", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID36811", "label": "dobutamine", "FDA_Category_D_L1000_Similarity": 0.3781, "FDA_Category_D_Structural_Similarity": 2.25126, "FDA_Category_D_Weighted_Contribution": 2.45065, "FDA_Category_D_Top_Rank": 0.096256, "FDA_Category_X_L1000_Similarity": -0.595872, "FDA_Category_X_Structural_Similarity": 0.309023, "FDA_Category_X_Weighted_Contribution": -0.111875, "FDA_Category_X_Top_Rank": -0.0694392, "FDA_Category_D_and_X_L1000_Similarity": 0.144967, "FDA_Category_D_and_X_Structural_Similarity": 1.95361, "FDA_Category_D_and_X_Weighted_Contribution": 1.9497, "FDA_Category_D_and_X_Top_Rank": 0.0295628, "Placenta_Crossing_L1000_Similarity": 0.57541, "Placenta_Crossing_Structural_Similarity": 2.97604, "Placenta_Crossing_Weighted_Contribution": 3.0617, "Placenta_Crossing_Top_Rank": 0.191234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O", "InChI_key": "JRWZLRBJNMZMFE-UHFFFAOYSA-N" } }, "CID:3682": { "type": "Drug", "properties": { "id": "CID:3682", "label": "ici-118551", "lsm": "LSM-1812", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3682", "FDA_Category_D_L1000_Similarity": 0.0134095, "FDA_Category_D_Structural_Similarity": -0.852178, "FDA_Category_D_Weighted_Contribution": -0.790707, "FDA_Category_D_Top_Rank": -0.0920758, "FDA_Category_X_L1000_Similarity": 0.329456, "FDA_Category_X_Structural_Similarity": -0.542459, "FDA_Category_X_Weighted_Contribution": -0.460969, "FDA_Category_X_Top_Rank": -0.0846299, "FDA_Category_D_and_X_L1000_Similarity": 0.111612, "FDA_Category_D_and_X_Structural_Similarity": -0.969094, "FDA_Category_D_and_X_Weighted_Contribution": -0.833737, "FDA_Category_D_and_X_Top_Rank": -0.0912018, "Placenta_Crossing_L1000_Similarity": 0.23105, "Placenta_Crossing_Structural_Similarity": -0.291936, "Placenta_Crossing_Weighted_Contribution": -0.287737, "Placenta_Crossing_Top_Rank": -0.0863557, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O", "InChI_key": "VFIDUCMKNJIJTO-UHFFFAOYSA-N" } }, "CID:3686": { "type": "Drug", "properties": { "id": "CID:3686", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3686", "label": "idebenone", "FDA_Category_D_L1000_Similarity": 0.521043, "FDA_Category_D_Structural_Similarity": -0.965953, "FDA_Category_D_Weighted_Contribution": -0.660222, "FDA_Category_D_Top_Rank": -0.0847971, "FDA_Category_X_L1000_Similarity": 0.229309, "FDA_Category_X_Structural_Similarity": -0.248505, "FDA_Category_X_Weighted_Contribution": -0.246652, "FDA_Category_X_Top_Rank": -0.0855119, "FDA_Category_D_and_X_L1000_Similarity": 0.518787, "FDA_Category_D_and_X_Structural_Similarity": -0.900781, "FDA_Category_D_and_X_Weighted_Contribution": -0.628997, "FDA_Category_D_and_X_Top_Rank": -0.085294, "Placenta_Crossing_L1000_Similarity": -0.00695535, "Placenta_Crossing_Structural_Similarity": -0.948008, "Placenta_Crossing_Weighted_Contribution": -0.869867, "Placenta_Crossing_Top_Rank": -0.088407, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO", "InChI_key": "JGPMMRGNQUBGND-UHFFFAOYSA-N" } }, "CID:3696": { "type": "Drug", "properties": { "id": "CID:3696", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3696", "label": "imipramine", "FDA_Category_D_L1000_Similarity": 0.515325, "FDA_Category_D_Structural_Similarity": -0.669465, "FDA_Category_D_Weighted_Contribution": -0.432257, "FDA_Category_D_Top_Rank": -0.0849452, "FDA_Category_X_L1000_Similarity": 2.34611, "FDA_Category_X_Structural_Similarity": -0.439937, "FDA_Category_X_Weighted_Contribution": 0.634923, "FDA_Category_X_Top_Rank": 0.0928552, "FDA_Category_D_and_X_L1000_Similarity": 1.15669, "FDA_Category_D_and_X_Structural_Similarity": -0.768752, "FDA_Category_D_and_X_Weighted_Contribution": -0.23877, "FDA_Category_D_and_X_Top_Rank": -0.0586016, "Placenta_Crossing_L1000_Similarity": 0.99693, "Placenta_Crossing_Structural_Similarity": 2.49906, "Placenta_Crossing_Weighted_Contribution": 2.86034, "Placenta_Crossing_Top_Rank": 0.0896869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31", "InChI_key": "BCGWQEUPMDMJNV-UHFFFAOYSA-N" } }, "CID:3698": { "type": "Drug", "properties": { "id": "CID:3698", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3698", "label": "amrinone", "FDA_Category_D_L1000_Similarity": 0.351209, "FDA_Category_D_Structural_Similarity": -0.95083, "FDA_Category_D_Weighted_Contribution": -0.721361, "FDA_Category_D_Top_Rank": -0.0879802, "FDA_Category_X_L1000_Similarity": 0.0101814, "FDA_Category_X_Structural_Similarity": -0.747343, "FDA_Category_X_Weighted_Contribution": -0.749677, "FDA_Category_X_Top_Rank": -0.0875337, "FDA_Category_D_and_X_L1000_Similarity": 0.305836, "FDA_Category_D_and_X_Structural_Similarity": -1.15795, "FDA_Category_D_and_X_Weighted_Contribution": -0.884856, "FDA_Category_D_and_X_Top_Rank": -0.0888482, "Placenta_Crossing_L1000_Similarity": 0.0899345, "Placenta_Crossing_Structural_Similarity": -0.671974, "Placenta_Crossing_Weighted_Contribution": -0.646332, "Placenta_Crossing_Top_Rank": -0.0876354, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=CC=C1C2=CNC(=O)C(=C2)N", "InChI_key": "RNLQIBCLLYYYFJ-UHFFFAOYSA-N" } }, "CID:3730": { "type": "Drug", "properties": { "id": "CID:3730", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3730", "label": "iohexol", "ref": "LSM-5095", "FDA_Category_D_L1000_Similarity": 0.0132364, "FDA_Category_X_L1000_Similarity": -0.278849, "FDA_Category_D_and_X_L1000_Similarity": -0.0732792, "Placenta_Crossing_L1000_Similarity": 0.4043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I", "InChI_key": "NTHXOOBQLCIOLC-UHFFFAOYSA-N" } }, "CID:3747": { "type": "Drug", "properties": { "id": "CID:3747", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3747", "label": "ipriflavone", "FDA_Category_D_L1000_Similarity": 0.323363, "FDA_Category_D_Structural_Similarity": -0.918176, "FDA_Category_D_Weighted_Contribution": -0.709664, "FDA_Category_D_Top_Rank": -0.0884602, "FDA_Category_X_L1000_Similarity": -0.580981, "FDA_Category_X_Structural_Similarity": -0.701441, "FDA_Category_X_Weighted_Contribution": -0.925215, "FDA_Category_X_Top_Rank": -0.0903016, "FDA_Category_D_and_X_L1000_Similarity": 0.102311, "FDA_Category_D_and_X_Structural_Similarity": -1.10726, "FDA_Category_D_and_X_Weighted_Contribution": -0.924159, "FDA_Category_D_and_X_Top_Rank": -0.0912987, "Placenta_Crossing_L1000_Similarity": 0.28997, "Placenta_Crossing_Structural_Similarity": -0.723824, "Placenta_Crossing_Weighted_Contribution": -0.60965, "Placenta_Crossing_Top_Rank": -0.0857598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3", "InChI_key": "SFBODOKJTYAUCM-UHFFFAOYSA-N" } }, "CID:3759": { "type": "Drug", "properties": { "id": "CID:3759", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3759", "label": "isocarboxazid", "FDA_Category_D_L1000_Similarity": 0.432276, "FDA_Category_D_Structural_Similarity": -0.825397, "FDA_Category_D_Weighted_Contribution": -0.593861, "FDA_Category_D_Top_Rank": -0.0866092, "FDA_Category_X_L1000_Similarity": -0.0142993, "FDA_Category_X_Structural_Similarity": -0.743009, "FDA_Category_X_Weighted_Contribution": -0.755515, "FDA_Category_X_Top_Rank": -0.0876995, "FDA_Category_D_and_X_L1000_Similarity": 0.368285, "FDA_Category_D_and_X_Structural_Similarity": -1.05605, "FDA_Category_D_and_X_Weighted_Contribution": -0.7963, "FDA_Category_D_and_X_Top_Rank": -0.0879607, "Placenta_Crossing_L1000_Similarity": 0.531754, "Placenta_Crossing_Structural_Similarity": -0.762801, "Placenta_Crossing_Weighted_Contribution": -0.54626, "Placenta_Crossing_Top_Rank": -0.0823721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2", "InChI_key": "XKFPYPQQHFEXRZ-UHFFFAOYSA-N" } }, "CID:37907": { "type": "Drug", "properties": { "id": "CID:37907", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID37907", "label": "climbazole", "FDA_Category_D_L1000_Similarity": 0.436867, "FDA_Category_D_Structural_Similarity": -0.552879, "FDA_Category_D_Weighted_Contribution": -0.373779, "FDA_Category_D_Top_Rank": -0.0865015, "FDA_Category_X_L1000_Similarity": 1.15177, "FDA_Category_X_Structural_Similarity": -0.707062, "FDA_Category_X_Weighted_Contribution": -0.24387, "FDA_Category_X_Top_Rank": -0.0662886, "FDA_Category_D_and_X_L1000_Similarity": 0.726357, "FDA_Category_D_and_X_Structural_Similarity": -0.820355, "FDA_Category_D_and_X_Weighted_Contribution": -0.479876, "FDA_Category_D_and_X_Top_Rank": -0.0804018, "Placenta_Crossing_L1000_Similarity": 0.938151, "Placenta_Crossing_Structural_Similarity": -0.963872, "Placenta_Crossing_Weighted_Contribution": -0.542337, "Placenta_Crossing_Top_Rank": -0.0725782, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl", "InChI_key": "OWEGWHBOCFMBLP-UHFFFAOYSA-N" } }, "CID:3797": { "type": "Drug", "properties": { "id": "CID:3797", "label": "zm-39923", "lsm": "LSM-2900", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3797", "FDA_Category_D_L1000_Similarity": 0.27798, "FDA_Category_D_Structural_Similarity": -0.218817, "FDA_Category_D_Weighted_Contribution": -0.164262, "FDA_Category_D_Top_Rank": -0.0891531, "FDA_Category_X_L1000_Similarity": 1.7525, "FDA_Category_X_Structural_Similarity": -0.304351, "FDA_Category_X_Weighted_Contribution": 0.459318, "FDA_Category_X_Top_Rank": -0.0249264, "FDA_Category_D_and_X_L1000_Similarity": 0.771826, "FDA_Category_D_and_X_Structural_Similarity": -0.337904, "FDA_Category_D_and_X_Weighted_Contribution": -0.0477548, "FDA_Category_D_and_X_Top_Rank": -0.0787544, "Placenta_Crossing_L1000_Similarity": 0.81283, "Placenta_Crossing_Structural_Similarity": -0.441827, "Placenta_Crossing_Weighted_Contribution": -0.160913, "Placenta_Crossing_Top_Rank": -0.0759602, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3", "InChI_key": "JSASWRWALCMOQP-UHFFFAOYSA-N" } }, "CID:3803": { "type": "Drug", "properties": { "id": "CID:3803", "label": "jlk-6", "lsm": "LSM-2489", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3803", "FDA_Category_D_L1000_Similarity": -2.09078, "FDA_Category_D_Structural_Similarity": 0.410169, "FDA_Category_D_Weighted_Contribution": -0.7699, "FDA_Category_D_Top_Rank": -0.0740563, "FDA_Category_X_L1000_Similarity": -1.59025, "FDA_Category_X_Structural_Similarity": -0.748317, "FDA_Category_X_Weighted_Contribution": -1.25084, "FDA_Category_X_Top_Rank": -0.0919083, "FDA_Category_D_and_X_L1000_Similarity": -2.28521, "FDA_Category_D_and_X_Structural_Similarity": -0.0782324, "FDA_Category_D_and_X_Weighted_Contribution": -1.10078, "FDA_Category_D_and_X_Top_Rank": -0.0879051, "Placenta_Crossing_L1000_Similarity": -2.38378, "Placenta_Crossing_Structural_Similarity": 0.744613, "Placenta_Crossing_Weighted_Contribution": -0.524354, "Placenta_Crossing_Top_Rank": -0.0615908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl", "InChI_key": "AMDGKLWVCUXONP-UHFFFAOYSA-N" } }, "CID:38258": { "type": "Drug", "properties": { "id": "CID:38258", "label": "imidurea", "lsm": "LSM-5114", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/38258", "FDA_Category_D_L1000_Similarity": 0.55419, "FDA_Category_D_Structural_Similarity": -0.209204, "FDA_Category_D_Weighted_Contribution": -0.00633972, "FDA_Category_D_Top_Rank": -0.0838619, "FDA_Category_X_L1000_Similarity": -0.158333, "FDA_Category_X_Structural_Similarity": -0.646982, "FDA_Category_X_Weighted_Contribution": -0.737796, "FDA_Category_X_Top_Rank": -0.0885545, "FDA_Category_D_and_X_L1000_Similarity": 0.429637, "FDA_Category_D_and_X_Structural_Similarity": -0.515157, "FDA_Category_D_and_X_Weighted_Contribution": -0.368351, "FDA_Category_D_and_X_Top_Rank": -0.0870223, "Placenta_Crossing_L1000_Similarity": 0.636071, "Placenta_Crossing_Structural_Similarity": 0.355816, "Placenta_Crossing_Weighted_Contribution": 0.525253, "Placenta_Crossing_Top_Rank": -0.073691, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO", "InChI_key": "ZCTXEAQXZGPWFG-UHFFFAOYSA-N" } }, "CID:3828": { "type": "Drug", "properties": { "id": "CID:3828", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3828", "label": "Khellin", "FDA_Category_D_L1000_Similarity": 0.186324, "FDA_Category_D_Structural_Similarity": 1.01999, "FDA_Category_D_Weighted_Contribution": 1.04132, "FDA_Category_D_Top_Rank": -0.0494646, "FDA_Category_X_L1000_Similarity": 1.33774, "FDA_Category_X_Structural_Similarity": 0.0899931, "FDA_Category_X_Weighted_Contribution": 0.662831, "FDA_Category_X_Top_Rank": -0.0569378, "FDA_Category_D_and_X_L1000_Similarity": 0.566863, "FDA_Category_D_and_X_Structural_Similarity": 0.858137, "FDA_Category_D_and_X_Weighted_Contribution": 1.04408, "FDA_Category_D_and_X_Top_Rank": -0.0608547, "Placenta_Crossing_L1000_Similarity": 0.482051, "Placenta_Crossing_Structural_Similarity": -0.399634, "Placenta_Crossing_Weighted_Contribution": -0.270907, "Placenta_Crossing_Top_Rank": -0.0832724, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3838": { "type": "Drug", "properties": { "id": "CID:3838", "label": "kn-62", "lsm": "LSM-1824", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3838", "FDA_Category_D_L1000_Similarity": -0.66621, "FDA_Category_D_Structural_Similarity": -0.0285377, "FDA_Category_D_Weighted_Contribution": -0.473598, "FDA_Category_D_Top_Rank": -0.0857831, "FDA_Category_X_L1000_Similarity": 2.97933, "FDA_Category_X_Structural_Similarity": -0.696379, "FDA_Category_X_Weighted_Contribution": 0.701627, "FDA_Category_X_Top_Rank": 0.517855, "FDA_Category_D_and_X_L1000_Similarity": 0.33049, "FDA_Category_D_and_X_Structural_Similarity": -0.398414, "FDA_Category_D_and_X_Weighted_Contribution": -0.317608, "FDA_Category_D_and_X_Top_Rank": -0.0885361, "Placenta_Crossing_L1000_Similarity": -0.762484, "Placenta_Crossing_Structural_Similarity": -0.465075, "Placenta_Crossing_Weighted_Contribution": -0.80446, "Placenta_Crossing_Top_Rank": -0.0893701, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7", "InChI_key": "RJVLFQBBRSMWHX-UHFFFAOYSA-N" } }, "CID:3845": { "type": "Drug", "properties": { "id": "CID:3845", "label": "kynurenic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3845", "FDA_Category_D_L1000_Similarity": 1.25081, "FDA_Category_D_Structural_Similarity": -0.662596, "FDA_Category_D_Weighted_Contribution": -0.0489307, "FDA_Category_D_Top_Rank": -0.043932, "FDA_Category_X_L1000_Similarity": 0.12634, "FDA_Category_X_Structural_Similarity": -0.653169, "FDA_Category_X_Weighted_Contribution": -0.6338, "FDA_Category_X_Top_Rank": -0.0866311, "FDA_Category_D_and_X_L1000_Similarity": 1.11658, "FDA_Category_D_and_X_Structural_Similarity": -0.878358, "FDA_Category_D_and_X_Weighted_Contribution": -0.350313, "FDA_Category_D_and_X_Top_Rank": -0.0613752, "Placenta_Crossing_L1000_Similarity": 0.612488, "Placenta_Crossing_Structural_Similarity": -0.0537228, "Placenta_Crossing_Weighted_Contribution": 0.104242, "Placenta_Crossing_Top_Rank": -0.0807968, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O", "InChI_key": "HCZHHEIFKROPDY-UHFFFAOYSA-N" } }, "CID:3853": { "type": "Drug", "properties": { "id": "CID:3853", "label": "l-745870", "lsm": "LSM-2098", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3853", "FDA_Category_D_L1000_Similarity": 0.816134, "FDA_Category_D_Structural_Similarity": 0.0413092, "FDA_Category_D_Weighted_Contribution": 0.391784, "FDA_Category_D_Top_Rank": -0.075079, "FDA_Category_X_L1000_Similarity": 0.19911, "FDA_Category_X_Structural_Similarity": -0.58726, "FDA_Category_X_Weighted_Contribution": -0.552149, "FDA_Category_X_Top_Rank": -0.0859639, "FDA_Category_D_and_X_L1000_Similarity": 0.763987, "FDA_Category_D_and_X_Structural_Similarity": -0.284096, "FDA_Category_D_and_X_Weighted_Contribution": -0.0023156, "FDA_Category_D_and_X_Top_Rank": -0.0790588, "Placenta_Crossing_L1000_Similarity": 0.631116, "Placenta_Crossing_Structural_Similarity": 0.119446, "Placenta_Crossing_Weighted_Contribution": 0.282651, "Placenta_Crossing_Top_Rank": -0.0795736, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC2=CN=C3C2=CC=CN3)C4=CC=C(C=C4)Cl", "InChI_key": "OGJGQVFWEPNYSB-UHFFFAOYSA-N" } }, "CID:386331": { "type": "Drug", "properties": { "id": "CID:386331", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID386331", "label": "quercetagetin", "FDA_Category_D_L1000_Similarity": -0.612061, "FDA_Category_D_Structural_Similarity": -0.823881, "FDA_Category_D_Weighted_Contribution": -1.00666, "FDA_Category_D_Top_Rank": -0.0954919, "FDA_Category_X_L1000_Similarity": -0.776273, "FDA_Category_X_Structural_Similarity": 0.514538, "FDA_Category_X_Weighted_Contribution": -0.000588942, "FDA_Category_X_Top_Rank": -0.0614684, "FDA_Category_D_and_X_L1000_Similarity": -0.763343, "FDA_Category_D_and_X_Structural_Similarity": -0.376283, "FDA_Category_D_and_X_Weighted_Contribution": -0.765798, "FDA_Category_D_and_X_Top_Rank": -0.092703, "Placenta_Crossing_L1000_Similarity": -0.608274, "Placenta_Crossing_Structural_Similarity": -0.601724, "Placenta_Crossing_Weighted_Contribution": -0.843133, "Placenta_Crossing_Top_Rank": -0.0905851, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC", "InChI_key": "CHXSDKWBSFDZEU-UHFFFAOYSA-N" } }, "CID:3894": { "type": "Drug", "properties": { "id": "CID:3894", "label": "lavendustin-a", "lsm": "LSM-2514", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3894", "FDA_Category_D_L1000_Similarity": 0.0381695, "FDA_Category_D_Structural_Similarity": 0.98984, "FDA_Category_D_Weighted_Contribution": 0.914047, "FDA_Category_D_Top_Rank": -0.0508808, "FDA_Category_X_L1000_Similarity": -1.05255, "FDA_Category_X_Structural_Similarity": -0.0747589, "FDA_Category_X_Weighted_Contribution": -0.642797, "FDA_Category_X_Top_Rank": -0.0816039, "FDA_Category_D_and_X_L1000_Similarity": -0.286736, "FDA_Category_D_and_X_Structural_Similarity": 0.745309, "FDA_Category_D_and_X_Weighted_Contribution": 0.425209, "FDA_Category_D_and_X_Top_Rank": -0.0657342, "Placenta_Crossing_L1000_Similarity": 0.453336, "Placenta_Crossing_Structural_Similarity": 2.51187, "Placenta_Crossing_Weighted_Contribution": 2.64043, "Placenta_Crossing_Top_Rank": 0.091666, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O", "InChI_key": "ULTTYPMRMMDONC-UHFFFAOYSA-N" } }, "CID:38945": { "type": "Drug", "properties": { "id": "CID:38945", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID38945", "label": "tocainide", "FDA_Category_D_L1000_Similarity": 0.923286, "FDA_Category_D_Structural_Similarity": 0.242504, "FDA_Category_D_Weighted_Contribution": 0.667741, "FDA_Category_D_Top_Rank": -0.0700153, "FDA_Category_X_L1000_Similarity": 1.99632, "FDA_Category_X_Structural_Similarity": -0.667572, "FDA_Category_X_Weighted_Contribution": 0.205596, "FDA_Category_X_Top_Rank": 0.0106397, "FDA_Category_D_and_X_L1000_Similarity": 1.40214, "FDA_Category_D_and_X_Structural_Similarity": -0.16774, "FDA_Category_D_and_X_Weighted_Contribution": 0.459357, "FDA_Category_D_and_X_Top_Rank": -0.0364325, "Placenta_Crossing_L1000_Similarity": 1.66039, "Placenta_Crossing_Structural_Similarity": 2.0838, "Placenta_Crossing_Weighted_Contribution": 2.79646, "Placenta_Crossing_Top_Rank": 0.0387568, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)C(C)N", "InChI_key": "BUJAGSGYPOAWEI-UHFFFAOYSA-N" } }, "CID:3896": { "type": "Drug", "properties": { "id": "CID:3896", "label": "lavendustin-c", "lsm": "LSM-5864", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3896", "FDA_Category_D_L1000_Similarity": 1.48874, "FDA_Category_D_Structural_Similarity": 1.9097, "FDA_Category_D_Weighted_Contribution": 2.73039, "FDA_Category_D_Top_Rank": 0.0352386, "FDA_Category_X_L1000_Similarity": -0.519239, "FDA_Category_X_Structural_Similarity": -0.633725, "FDA_Category_X_Weighted_Contribution": -0.858109, "FDA_Category_X_Top_Rank": -0.0900971, "FDA_Category_D_and_X_L1000_Similarity": 1.12565, "FDA_Category_D_and_X_Structural_Similarity": 1.1738, "FDA_Category_D_and_X_Weighted_Contribution": 1.7131, "FDA_Category_D_and_X_Top_Rank": -0.0410362, "Placenta_Crossing_L1000_Similarity": 0.924435, "Placenta_Crossing_Structural_Similarity": 1.87168, "Placenta_Crossing_Weighted_Contribution": 2.27161, "Placenta_Crossing_Top_Rank": 0.0186237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1NCC2=C(C=CC(=C2)O)O)C(=O)O)O", "InChI_key": "LULATDWLDJOKCX-UHFFFAOYSA-N" } }, "CID:3906779": { "type": "Drug", "properties": { "id": "CID:3906779", "label": "Ro-106-9920", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3906779", "FDA_Category_D_L1000_Similarity": -0.695632, "FDA_Category_D_Structural_Similarity": -0.557134, "FDA_Category_D_Weighted_Contribution": -0.871074, "FDA_Category_D_Top_Rank": -0.0946782, "FDA_Category_X_L1000_Similarity": -1.4181, "FDA_Category_X_Structural_Similarity": -0.286804, "FDA_Category_X_Weighted_Contribution": -0.928053, "FDA_Category_X_Top_Rank": -0.0862516, "FDA_Category_D_and_X_L1000_Similarity": -1.0303, "FDA_Category_D_and_X_Structural_Similarity": -0.596963, "FDA_Category_D_and_X_Weighted_Contribution": -0.998292, "FDA_Category_D_and_X_Top_Rank": -0.0947707, "Placenta_Crossing_L1000_Similarity": -1.68305, "Placenta_Crossing_Structural_Similarity": 1.29645, "Placenta_Crossing_Weighted_Contribution": 0.285645, "Placenta_Crossing_Top_Rank": -0.0330878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3906780": { "type": "Drug", "properties": { "id": "CID:3906780", "label": "nnc-63-0532", "lsm": "LSM-2789", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3906780", "FDA_Category_D_L1000_Similarity": -0.570012, "FDA_Category_D_Structural_Similarity": 0.710536, "FDA_Category_D_Weighted_Contribution": 0.247572, "FDA_Category_D_Top_Rank": -0.0639078, "FDA_Category_X_L1000_Similarity": 0.977191, "FDA_Category_X_Structural_Similarity": 1.94129, "FDA_Category_X_Weighted_Contribution": 2.508, "FDA_Category_X_Top_Rank": 0.0338925, "FDA_Category_D_and_X_L1000_Similarity": -0.194599, "FDA_Category_D_and_X_Structural_Similarity": 1.61147, "FDA_Category_D_and_X_Weighted_Contribution": 1.3935, "FDA_Category_D_and_X_Top_Rank": -0.004724, "Placenta_Crossing_L1000_Similarity": 0.497879, "Placenta_Crossing_Structural_Similarity": -0.017323, "Placenta_Crossing_Weighted_Contribution": 0.0834615, "Placenta_Crossing_Top_Rank": -0.0826628, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5", "InChI_key": "DSEIKQVUTKGLGT-UHFFFAOYSA-N" } }, "CID:3917094": { "type": "Drug", "properties": { "id": "CID:3917094", "label": "st-4070043", "lsm": "LSM-4559", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3917094", "FDA_Category_D_L1000_Similarity": 0.600654, "FDA_Category_X_L1000_Similarity": 0.160596, "FDA_Category_D_and_X_L1000_Similarity": 0.566539, "Placenta_Crossing_L1000_Similarity": 0.651265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=NN=N5", "InChI_key": "DJGUEMVDYQMOLS-UHFFFAOYSA-N" } }, "CID:3919910": { "type": "Drug", "properties": { "id": "CID:3919910", "label": "tubaic-acid", "lsm": "LSM-1247", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3919910", "FDA_Category_D_L1000_Similarity": 0.959197, "FDA_Category_D_Structural_Similarity": -0.142358, "FDA_Category_D_Weighted_Contribution": 0.29028, "FDA_Category_D_Top_Rank": -0.0677722, "FDA_Category_X_L1000_Similarity": 0.0462261, "FDA_Category_X_Structural_Similarity": 1.87276, "FDA_Category_X_Weighted_Contribution": 1.94493, "FDA_Category_X_Top_Rank": 0.0257645, "FDA_Category_D_and_X_L1000_Similarity": 0.840873, "FDA_Category_D_and_X_Structural_Similarity": 0.89754, "FDA_Category_D_and_X_Weighted_Contribution": 1.25076, "FDA_Category_D_and_X_Top_Rank": -0.058255, "Placenta_Crossing_L1000_Similarity": 0.971386, "Placenta_Crossing_Structural_Similarity": 0.51058, "Placenta_Crossing_Weighted_Contribution": 0.867698, "Placenta_Crossing_Top_Rank": -0.0691359, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1CC2=C(O1)C=CC(=C2O)C(=O)O", "InChI_key": "CMXGHLJKXLIMAQ-UHFFFAOYSA-N" } }, "CID:3964": { "type": "Drug", "properties": { "id": "CID:3964", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3964", "label": "loxapine", "FDA_Category_D_L1000_Similarity": 0.0726055, "FDA_Category_D_Structural_Similarity": -0.229202, "FDA_Category_D_Weighted_Contribution": -0.279725, "FDA_Category_D_Top_Rank": -0.0900822, "FDA_Category_X_L1000_Similarity": 0.188091, "FDA_Category_X_Structural_Similarity": 0.224377, "FDA_Category_X_Weighted_Contribution": 0.192361, "FDA_Category_X_Top_Rank": -0.072405, "FDA_Category_D_and_X_L1000_Similarity": 0.119704, "FDA_Category_D_and_X_Structural_Similarity": -0.0608482, "FDA_Category_D_and_X_Weighted_Contribution": -0.127707, "FDA_Category_D_and_X_Top_Rank": -0.0875225, "Placenta_Crossing_L1000_Similarity": 0.738088, "Placenta_Crossing_Structural_Similarity": -0.236792, "Placenta_Crossing_Weighted_Contribution": -0.00854297, "Placenta_Crossing_Top_Rank": -0.0779544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl", "InChI_key": "XJGVXQDUIWGIRW-UHFFFAOYSA-N" } }, "CID:3970": { "type": "Drug", "properties": { "id": "CID:3970", "label": "ly-278584", "lsm": "LSM-1322", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3970", "FDA_Category_D_L1000_Similarity": 0.45247, "FDA_Category_D_Structural_Similarity": -0.177068, "FDA_Category_D_Weighted_Contribution": -0.0320951, "FDA_Category_D_Top_Rank": -0.0861975, "FDA_Category_X_L1000_Similarity": -0.294978, "FDA_Category_X_Structural_Similarity": -0.673565, "FDA_Category_X_Weighted_Contribution": -0.807068, "FDA_Category_X_Top_Rank": -0.0892515, "FDA_Category_D_and_X_L1000_Similarity": 0.300455, "FDA_Category_D_and_X_Structural_Similarity": -0.503995, "FDA_Category_D_and_X_Weighted_Contribution": -0.418177, "FDA_Category_D_and_X_Top_Rank": -0.0889076, "Placenta_Crossing_L1000_Similarity": 0.446285, "Placenta_Crossing_Structural_Similarity": -0.975077, "Placenta_Crossing_Weighted_Contribution": -0.733838, "Placenta_Crossing_Top_Rank": -0.0838247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2CCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C", "InChI_key": "DDHAJFBBJWHSBR-UHFFFAOYSA-N" } }, "CID:3971": { "type": "Drug", "properties": { "id": "CID:3971", "label": "ly-303511", "lsm": "LSM-2497", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3971", "FDA_Category_D_L1000_Similarity": -1.0501, "FDA_Category_D_Structural_Similarity": -0.389236, "FDA_Category_D_Weighted_Contribution": -0.896733, "FDA_Category_D_Top_Rank": -0.0927738, "FDA_Category_X_L1000_Similarity": -0.0420386, "FDA_Category_X_Structural_Similarity": -0.114194, "FDA_Category_X_Weighted_Contribution": -0.247996, "FDA_Category_X_Top_Rank": -0.0826571, "FDA_Category_D_and_X_L1000_Similarity": -0.917973, "FDA_Category_D_and_X_Structural_Similarity": -0.370561, "FDA_Category_D_and_X_Weighted_Contribution": -0.819777, "FDA_Category_D_and_X_Top_Rank": -0.0926317, "Placenta_Crossing_L1000_Similarity": -0.914857, "Placenta_Crossing_Structural_Similarity": -0.560728, "Placenta_Crossing_Weighted_Contribution": -0.916257, "Placenta_Crossing_Top_Rank": -0.0902358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4", "InChI_key": "NGAGMBNBKCDCDJ-UHFFFAOYSA-N" } }, "CID:3976": { "type": "Drug", "properties": { "id": "CID:3976", "label": "ly-83583", "lsm": "LSM-3393", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3976", "FDA_Category_D_L1000_Similarity": 0.66524, "FDA_Category_X_L1000_Similarity": -0.648278, "FDA_Category_D_and_X_L1000_Similarity": 0.376583, "Placenta_Crossing_L1000_Similarity": 0.220431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3", "InChI_key": "GXIJYWUWLNHKNW-UHFFFAOYSA-N" } }, "CID:4004": { "type": "Drug", "properties": { "id": "CID:4004", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4004", "label": "malathion", "FDA_Category_D_L1000_Similarity": 0.443451, "FDA_Category_D_Structural_Similarity": 1.10205, "FDA_Category_D_Weighted_Contribution": 1.29586, "FDA_Category_D_Top_Rank": -0.0455352, "FDA_Category_X_L1000_Similarity": 0.328775, "FDA_Category_X_Structural_Similarity": -0.668646, "FDA_Category_X_Weighted_Contribution": -0.565522, "FDA_Category_X_Top_Rank": -0.0846397, "FDA_Category_D_and_X_L1000_Similarity": 0.482106, "FDA_Category_D_and_X_Structural_Similarity": 0.513917, "FDA_Category_D_and_X_Weighted_Contribution": 0.629978, "FDA_Category_D_and_X_Top_Rank": -0.0734765, "Placenta_Crossing_L1000_Similarity": 0.347057, "Placenta_Crossing_Structural_Similarity": 0.488165, "Placenta_Crossing_Weighted_Contribution": 0.510505, "Placenta_Crossing_Top_Rank": -0.0698721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC", "InChI_key": "JXSJBGJIGXNWCI-UHFFFAOYSA-N" } }, "CID:4011": { "type": "Drug", "properties": { "id": "CID:4011", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4011", "label": "maprotiline", "FDA_Category_D_L1000_Similarity": -0.469494, "FDA_Category_D_Structural_Similarity": -0.482514, "FDA_Category_D_Weighted_Contribution": -0.730095, "FDA_Category_D_Top_Rank": -0.0939039, "FDA_Category_X_L1000_Similarity": 0.569461, "FDA_Category_X_Structural_Similarity": -0.423376, "FDA_Category_X_Weighted_Contribution": -0.2509, "FDA_Category_X_Top_Rank": -0.0814443, "FDA_Category_D_and_X_L1000_Similarity": -0.231778, "FDA_Category_D_and_X_Structural_Similarity": -0.61143, "FDA_Category_D_and_X_Weighted_Contribution": -0.722673, "FDA_Category_D_and_X_Top_Rank": -0.093834, "Placenta_Crossing_L1000_Similarity": 0.00694288, "Placenta_Crossing_Structural_Similarity": -0.122664, "Placenta_Crossing_Weighted_Contribution": -0.239842, "Placenta_Crossing_Top_Rank": -0.0846592, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24", "InChI_key": "QSLMDECMDJKHMQ-UHFFFAOYSA-N" } }, "CID:4020240": { "type": "Drug", "properties": { "id": "CID:4020240", "label": "sericetin", "lsm": "LSM-2095", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4020240", "FDA_Category_D_L1000_Similarity": 0.628715, "FDA_Category_D_Structural_Similarity": 0.0302763, "FDA_Category_D_Weighted_Contribution": 0.269286, "FDA_Category_D_Top_Rank": -0.0818162, "FDA_Category_X_L1000_Similarity": -1.40052, "FDA_Category_X_Structural_Similarity": 0.188817, "FDA_Category_X_Weighted_Contribution": -0.571885, "FDA_Category_X_Top_Rank": -0.0737034, "FDA_Category_D_and_X_L1000_Similarity": 0.116646, "FDA_Category_D_and_X_Structural_Similarity": 0.125916, "FDA_Category_D_and_X_Weighted_Contribution": 0.0415425, "FDA_Category_D_and_X_Top_Rank": -0.083332, "Placenta_Crossing_L1000_Similarity": 0.162505, "Placenta_Crossing_Structural_Similarity": 1.05624, "Placenta_Crossing_Weighted_Contribution": 1.01304, "Placenta_Crossing_Top_Rank": -0.0476259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)O)C4=CC=CC=C4)O)C=CC(O2)(C)C)C", "InChI_key": "BPGVKIFGOXGHPB-UHFFFAOYSA-N" } }, "CID:4044": { "type": "Drug", "properties": { "id": "CID:4044", "label": "mefenamic acid", "lsm": "LSM-4085", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4044", "FDA_Category_D_L1000_Similarity": 0.225798, "FDA_Category_D_Structural_Similarity": -0.600796, "FDA_Category_D_Weighted_Contribution": -0.513395, "FDA_Category_D_Top_Rank": -0.0899125, "FDA_Category_X_L1000_Similarity": -1.17652, "FDA_Category_X_Structural_Similarity": -0.144316, "FDA_Category_X_Weighted_Contribution": -0.742873, "FDA_Category_X_Top_Rank": -0.0832511, "FDA_Category_D_and_X_L1000_Similarity": -0.162643, "FDA_Category_D_and_X_Structural_Similarity": -0.554732, "FDA_Category_D_and_X_Weighted_Contribution": -0.655089, "FDA_Category_D_and_X_Top_Rank": -0.0934123, "Placenta_Crossing_L1000_Similarity": 0.167326, "Placenta_Crossing_Structural_Similarity": 1.23136, "Placenta_Crossing_Weighted_Contribution": 1.20485, "Placenta_Crossing_Top_Rank": -0.0380279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C", "InChI_key": "HYYBABOKPJLUIN-UHFFFAOYSA-N" } }, "CID:40469923": { "type": "Drug", "properties": { "id": "CID:40469923", "label": "o-1918", "lsm": "LSM-2398", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/40469923", "FDA_Category_D_L1000_Similarity": -0.395095, "FDA_Category_D_Structural_Similarity": 1.07397, "FDA_Category_D_Weighted_Contribution": 0.731171, "FDA_Category_D_Top_Rank": -0.046889, "FDA_Category_X_L1000_Similarity": -0.599644, "FDA_Category_X_Structural_Similarity": -0.695604, "FDA_Category_X_Weighted_Contribution": -0.927546, "FDA_Category_X_Top_Rank": -0.0903553, "FDA_Category_D_and_X_L1000_Similarity": -0.522683, "FDA_Category_D_and_X_Structural_Similarity": 0.477078, "FDA_Category_D_and_X_Weighted_Contribution": 0.0347884, "FDA_Category_D_and_X_Top_Rank": -0.0746041, "Placenta_Crossing_L1000_Similarity": 0.490495, "Placenta_Crossing_Structural_Similarity": 0.326832, "Placenta_Crossing_Weighted_Contribution": 0.419663, "Placenta_Crossing_Top_Rank": -0.0744408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C=C2OC)C)OC", "InChI_key": "ICHJMVMWPKLUKT-JKSUJKDBSA-N" } }, "CID:405012": { "type": "Drug", "properties": { "id": "CID:405012", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID405012", "label": "indoximod", "FDA_Category_D_L1000_Similarity": 0.0797864, "FDA_Category_D_Structural_Similarity": -0.136622, "FDA_Category_D_Weighted_Contribution": -0.194611, "FDA_Category_D_Top_Rank": -0.0882858, "FDA_Category_X_L1000_Similarity": -1.7393, "FDA_Category_X_Structural_Similarity": 0.494884, "FDA_Category_X_Weighted_Contribution": -0.459173, "FDA_Category_X_Top_Rank": -0.0622146, "FDA_Category_D_and_X_L1000_Similarity": -0.459411, "FDA_Category_D_and_X_Structural_Similarity": 0.158599, "FDA_Category_D_and_X_Weighted_Contribution": -0.22026, "FDA_Category_D_and_X_Top_Rank": -0.0826313, "Placenta_Crossing_L1000_Similarity": -0.156359, "Placenta_Crossing_Structural_Similarity": -0.211911, "Placenta_Crossing_Weighted_Contribution": -0.385515, "Placenta_Crossing_Top_Rank": -0.0860948, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N", "InChI_key": "ZADWXFSZEAPBJS-SNVBAGLBSA-N" } }, "CID:4057": { "type": "Drug", "properties": { "id": "CID:4057", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4057", "label": "mepenzolate", "FDA_Category_D_L1000_Similarity": -0.0305353, "FDA_Category_D_Structural_Similarity": -0.490082, "FDA_Category_D_Weighted_Contribution": -0.544315, "FDA_Category_D_Top_Rank": -0.0924481, "FDA_Category_X_L1000_Similarity": -0.0522321, "FDA_Category_X_Structural_Similarity": -0.631978, "FDA_Category_X_Weighted_Contribution": -0.686502, "FDA_Category_X_Top_Rank": -0.0879461, "FDA_Category_D_and_X_L1000_Similarity": -0.0421848, "FDA_Category_D_and_X_Structural_Similarity": -0.729998, "FDA_Category_D_and_X_Weighted_Contribution": -0.731192, "FDA_Category_D_and_X_Top_Rank": -0.0925576, "Placenta_Crossing_L1000_Similarity": -0.189906, "Placenta_Crossing_Structural_Similarity": -0.530175, "Placenta_Crossing_Weighted_Contribution": -0.646454, "Placenta_Crossing_Top_Rank": -0.0895315, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C", "InChI_key": "GKNPSSNBBWDAGH-UHFFFAOYSA-N" } }, "CID:4060": { "type": "Drug", "properties": { "id": "CID:4060", "label": "mephenytoin", "lsm": "LSM-1852", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4060", "FDA_Category_D_L1000_Similarity": 0.888194, "FDA_Category_D_Structural_Similarity": 1.46662, "FDA_Category_D_Weighted_Contribution": 1.96729, "FDA_Category_D_Top_Rank": -0.0206264, "FDA_Category_X_L1000_Similarity": 0.910493, "FDA_Category_X_Structural_Similarity": -0.750556, "FDA_Category_X_Weighted_Contribution": -0.390189, "FDA_Category_X_Top_Rank": -0.0741615, "FDA_Category_D_and_X_L1000_Similarity": 1.04213, "FDA_Category_D_and_X_Structural_Similarity": 0.759075, "FDA_Category_D_and_X_Weighted_Contribution": 1.22329, "FDA_Category_D_and_X_Top_Rank": -0.0650428, "Placenta_Crossing_L1000_Similarity": 1.09546, "Placenta_Crossing_Structural_Similarity": -0.915422, "Placenta_Crossing_Weighted_Contribution": -0.441277, "Placenta_Crossing_Top_Rank": -0.066753, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2", "InChI_key": "GMHKMTDVRCWUDX-UHFFFAOYSA-N" } }, "CID:4066": { "type": "Drug", "properties": { "id": "CID:4066", "label": "mequitazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4066", "FDA_Category_D_L1000_Similarity": -0.575172, "FDA_Category_D_Structural_Similarity": -0.820518, "FDA_Category_D_Weighted_Contribution": -0.991767, "FDA_Category_D_Top_Rank": -0.0953884, "FDA_Category_X_L1000_Similarity": -0.955739, "FDA_Category_X_Structural_Similarity": -0.66249, "FDA_Category_X_Weighted_Contribution": -1.02109, "FDA_Category_X_Top_Rank": -0.0911914, "FDA_Category_D_and_X_L1000_Similarity": -0.786053, "FDA_Category_D_and_X_Structural_Similarity": -1.00873, "FDA_Category_D_and_X_Weighted_Contribution": -1.14766, "FDA_Category_D_and_X_Top_Rank": -0.0958774, "Placenta_Crossing_L1000_Similarity": -0.101362, "Placenta_Crossing_Structural_Similarity": -0.695468, "Placenta_Crossing_Weighted_Contribution": -0.732591, "Placenta_Crossing_Top_Rank": -0.0889966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53", "InChI_key": "HOKDBMAJZXIPGC-UHFFFAOYSA-N" } }, "CID:4101": { "type": "Drug", "properties": { "id": "CID:4101", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4101", "label": "methenamine", "FDA_Category_D_L1000_Similarity": 0.516793, "FDA_Category_D_Structural_Similarity": -0.710344, "FDA_Category_D_Weighted_Contribution": -0.464781, "FDA_Category_D_Top_Rank": -0.0849019, "FDA_Category_X_L1000_Similarity": -0.282352, "FDA_Category_X_Structural_Similarity": 2.94846, "FDA_Category_X_Weighted_Contribution": 2.86657, "FDA_Category_X_Top_Rank": 0.206487, "FDA_Category_D_and_X_L1000_Similarity": 0.359735, "FDA_Category_D_and_X_Structural_Similarity": 1.02717, "FDA_Category_D_and_X_Weighted_Contribution": 1.1007, "FDA_Category_D_and_X_Top_Rank": -0.0517309, "Placenta_Crossing_L1000_Similarity": 0.546496, "Placenta_Crossing_Structural_Similarity": -0.949839, "Placenta_Crossing_Weighted_Contribution": -0.679903, "Placenta_Crossing_Top_Rank": -0.0821625, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1N2CN3CN1CN(C2)C3", "InChI_key": "VKYKSIONXSXAKP-UHFFFAOYSA-N" } }, "CID:412": { "type": "Drug", "properties": { "id": "CID:412", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID412", "label": "nornicotine", "FDA_Category_D_L1000_Similarity": 0.601794, "FDA_Category_D_Structural_Similarity": -0.846165, "FDA_Category_D_Weighted_Contribution": -0.533218, "FDA_Category_D_Top_Rank": -0.0825938, "FDA_Category_X_L1000_Similarity": -1.39936, "FDA_Category_X_Structural_Similarity": 0.0402587, "FDA_Category_X_Weighted_Contribution": -0.68793, "FDA_Category_X_Top_Rank": -0.0787918, "FDA_Category_D_and_X_L1000_Similarity": 0.093801, "FDA_Category_D_and_X_Structural_Similarity": -0.649889, "FDA_Category_D_and_X_Weighted_Contribution": -0.619722, "FDA_Category_D_and_X_Top_Rank": -0.0913845, "Placenta_Crossing_L1000_Similarity": -0.121876, "Placenta_Crossing_Structural_Similarity": -0.699136, "Placenta_Crossing_Weighted_Contribution": -0.742401, "Placenta_Crossing_Top_Rank": -0.0891266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(NC1)C2=CN=CC=C2", "InChI_key": "MYKUKUCHPMASKF-UHFFFAOYSA-N" } }, "CID:4133": { "type": "Drug", "properties": { "id": "CID:4133", "label": "methyl salicylate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4133", "FDA_Category_D_L1000_Similarity": -0.372484, "FDA_Category_D_Structural_Similarity": -0.860133, "FDA_Category_D_Weighted_Contribution": -0.943499, "FDA_Category_D_Top_Rank": -0.0945851, "FDA_Category_X_L1000_Similarity": -0.396124, "FDA_Category_X_Structural_Similarity": -0.726927, "FDA_Category_X_Weighted_Contribution": -0.879913, "FDA_Category_X_Top_Rank": -0.0896585, "FDA_Category_D_and_X_L1000_Similarity": -0.441383, "FDA_Category_D_and_X_Structural_Similarity": -1.07495, "FDA_Category_D_and_X_Weighted_Contribution": -1.08102, "FDA_Category_D_and_X_Top_Rank": -0.0948451, "Placenta_Crossing_L1000_Similarity": -0.665616, "Placenta_Crossing_Structural_Similarity": -1.00909, "Placenta_Crossing_Weighted_Contribution": -1.10308, "Placenta_Crossing_Top_Rank": -0.091233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC=CC=C1O", "InChI_key": "OSWPMRLSEDHDFF-UHFFFAOYSA-N" } }, "CID:41684": { "type": "Drug", "properties": { "id": "CID:41684", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID41684", "label": "nitazoxanide", "FDA_Category_D_L1000_Similarity": -2.11948, "FDA_Category_D_Structural_Similarity": -0.311744, "FDA_Category_D_Weighted_Contribution": -1.20859, "FDA_Category_D_Top_Rank": -0.0915915, "FDA_Category_X_L1000_Similarity": -1.03778, "FDA_Category_X_Structural_Similarity": -0.469226, "FDA_Category_X_Weighted_Contribution": -0.922794, "FDA_Category_X_Top_Rank": -0.0893539, "FDA_Category_D_and_X_L1000_Similarity": -2.14217, "FDA_Category_D_and_X_Structural_Similarity": -0.500628, "FDA_Category_D_and_X_Weighted_Contribution": -1.26836, "FDA_Category_D_and_X_Top_Rank": -0.0940122, "Placenta_Crossing_L1000_Similarity": -3.45689, "Placenta_Crossing_Structural_Similarity": -0.101376, "Placenta_Crossing_Weighted_Contribution": -1.34552, "Placenta_Crossing_Top_Rank": -0.0842067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]", "InChI_key": "YQNQNVDNTFHQSW-UHFFFAOYSA-N" } }, "CID:4189": { "type": "Drug", "properties": { "id": "CID:4189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4189", "label": "miconazole", "ref": "LSM-5165", "FDA_Category_D_L1000_Similarity": 0.774022, "FDA_Category_D_Structural_Similarity": -0.508101, "FDA_Category_D_Weighted_Contribution": -0.16319, "FDA_Category_D_Top_Rank": -0.0769943, "FDA_Category_X_L1000_Similarity": 1.21445, "FDA_Category_X_Structural_Similarity": -0.661443, "FDA_Category_X_Weighted_Contribution": -0.172746, "FDA_Category_X_Top_Rank": -0.0634661, "FDA_Category_D_and_X_L1000_Similarity": 1.03603, "FDA_Category_D_and_X_Structural_Similarity": -0.760199, "FDA_Category_D_and_X_Weighted_Contribution": -0.28922, "FDA_Category_D_and_X_Top_Rank": -0.0669309, "Placenta_Crossing_L1000_Similarity": 0.3283, "Placenta_Crossing_Structural_Similarity": -0.982798, "Placenta_Crossing_Weighted_Contribution": -0.780406, "Placenta_Crossing_Top_Rank": -0.0853316, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl", "InChI_key": "BYBLEWFAAKGYCD-UHFFFAOYSA-N" } }, "CID:4192": { "type": "Drug", "properties": { "id": "CID:4192", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4192", "label": "midazolam", "ref": "LSM-5200", "FDA_Category_D_L1000_Similarity": 0.163533, "FDA_Category_D_Structural_Similarity": 2.73397, "FDA_Category_D_Weighted_Contribution": 2.7719, "FDA_Category_D_Top_Rank": 0.170314, "FDA_Category_X_L1000_Similarity": -1.55382, "FDA_Category_X_Structural_Similarity": -0.122823, "FDA_Category_X_Weighted_Contribution": -0.862832, "FDA_Category_X_Top_Rank": -0.0828491, "FDA_Category_D_and_X_L1000_Similarity": -0.330893, "FDA_Category_D_and_X_Structural_Similarity": 2.10371, "FDA_Category_D_and_X_Weighted_Contribution": 1.83064, "FDA_Category_D_and_X_Top_Rank": 0.0472667, "Placenta_Crossing_L1000_Similarity": -0.820367, "Placenta_Crossing_Structural_Similarity": 0.914113, "Placenta_Crossing_Weighted_Contribution": 0.340985, "Placenta_Crossing_Top_Rank": -0.0542318, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F", "InChI_key": "DDLIGBOFAVUZHB-UHFFFAOYSA-N" } }, "CID:4195": { "type": "Drug", "properties": { "id": "CID:4195", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4195", "label": "midodrine", "FDA_Category_D_L1000_Similarity": 0.288414, "FDA_Category_D_Structural_Similarity": -0.192989, "FDA_Category_D_Weighted_Contribution": -0.135375, "FDA_Category_D_Top_Rank": -0.0890261, "FDA_Category_X_L1000_Similarity": 0.889961, "FDA_Category_X_Structural_Similarity": -0.59722, "FDA_Category_X_Weighted_Contribution": -0.263147, "FDA_Category_X_Top_Rank": -0.0747129, "FDA_Category_D_and_X_L1000_Similarity": 0.518882, "FDA_Category_D_and_X_Structural_Similarity": -0.475436, "FDA_Category_D_and_X_Weighted_Contribution": -0.29356, "FDA_Category_D_and_X_Top_Rank": -0.085283, "Placenta_Crossing_L1000_Similarity": 1.65888, "Placenta_Crossing_Structural_Similarity": -0.349096, "Placenta_Crossing_Weighted_Contribution": 0.335489, "Placenta_Crossing_Top_Rank": -0.0207505, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O", "InChI_key": "PTKSEFOSCHHMPD-UHFFFAOYSA-N" } }, "CID:42008": { "type": "Drug", "properties": { "id": "CID:42008", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID42008", "label": "cefmetazole", "FDA_Category_D_L1000_Similarity": 0.23311, "FDA_Category_D_Structural_Similarity": -0.510477, "FDA_Category_D_Weighted_Contribution": -0.437385, "FDA_Category_D_Top_Rank": -0.0897648, "FDA_Category_X_L1000_Similarity": 0.61854, "FDA_Category_X_Structural_Similarity": -0.412122, "FDA_Category_X_Weighted_Contribution": -0.218084, "FDA_Category_X_Top_Rank": -0.0807301, "FDA_Category_D_and_X_L1000_Similarity": 0.388791, "FDA_Category_D_and_X_Structural_Similarity": -0.627552, "FDA_Category_D_and_X_Weighted_Contribution": -0.47707, "FDA_Category_D_and_X_Top_Rank": -0.0876287, "Placenta_Crossing_L1000_Similarity": 0.409981, "Placenta_Crossing_Structural_Similarity": 1.30079, "Placenta_Crossing_Weighted_Contribution": 1.41276, "Placenta_Crossing_Top_Rank": -0.0327719, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O", "InChI_key": "SNBUBQHDYVFSQF-HIFRSBDPSA-N" } }, "CID:4210951": { "type": "Drug", "properties": { "id": "CID:4210951", "label": "sb-415286", "lsm": "LSM-3719", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4210951", "FDA_Category_D_L1000_Similarity": 1.63618, "FDA_Category_D_Structural_Similarity": 0.913573, "FDA_Category_D_Weighted_Contribution": 1.84673, "FDA_Category_D_Top_Rank": 0.0241936, "FDA_Category_X_L1000_Similarity": 0.593742, "FDA_Category_X_Structural_Similarity": -0.635997, "FDA_Category_X_Weighted_Contribution": -0.428062, "FDA_Category_X_Top_Rank": -0.081079, "FDA_Category_D_and_X_L1000_Similarity": 1.59073, "FDA_Category_D_and_X_Structural_Similarity": 0.381934, "FDA_Category_D_and_X_Weighted_Contribution": 1.1487, "FDA_Category_D_and_X_Top_Rank": -0.00860501, "Placenta_Crossing_L1000_Similarity": 0.99082, "Placenta_Crossing_Structural_Similarity": 0.24518, "Placenta_Crossing_Weighted_Contribution": 0.597307, "Placenta_Crossing_Top_Rank": -0.0707278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl)[N+](=O)[O-]", "InChI_key": "PQCXVIPXISBFPN-UHFFFAOYSA-N" } }, "CID:4211": { "type": "Drug", "properties": { "id": "CID:4211", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4211", "label": "mitotane", "FDA_Category_D_L1000_Similarity": 0.514543, "FDA_Category_D_Structural_Similarity": -0.870107, "FDA_Category_D_Weighted_Contribution": -0.591221, "FDA_Category_D_Top_Rank": -0.0849768, "FDA_Category_X_L1000_Similarity": -0.544982, "FDA_Category_X_Structural_Similarity": 1.37584, "FDA_Category_X_Weighted_Contribution": 1.04844, "FDA_Category_X_Top_Rank": -0.0164697, "FDA_Category_D_and_X_L1000_Similarity": 0.278044, "FDA_Category_D_and_X_Structural_Similarity": 0.0517837, "FDA_Category_D_and_X_Weighted_Contribution": 0.0568652, "FDA_Category_D_and_X_Top_Rank": -0.085294, "Placenta_Crossing_L1000_Similarity": 0.400398, "Placenta_Crossing_Structural_Similarity": 0.522659, "Placenta_Crossing_Weighted_Contribution": 0.574325, "Placenta_Crossing_Top_Rank": -0.0688979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl", "InChI_key": "JWBOIMRXGHLCPP-UHFFFAOYSA-N" } }, "CID:4216": { "type": "Drug", "properties": { "id": "CID:4216", "label": "ml-7", "lsm": "LSM-4095", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4216", "FDA_Category_D_L1000_Similarity": -0.337764, "FDA_Category_D_Structural_Similarity": -0.882906, "FDA_Category_D_Weighted_Contribution": -0.945015, "FDA_Category_D_Top_Rank": -0.0944376, "FDA_Category_X_L1000_Similarity": 1.62803, "FDA_Category_X_Structural_Similarity": -0.703182, "FDA_Category_X_Weighted_Contribution": -0.0148661, "FDA_Category_X_Top_Rank": -0.0374116, "FDA_Category_D_and_X_L1000_Similarity": 0.203244, "FDA_Category_D_and_X_Structural_Similarity": -1.08021, "FDA_Category_D_and_X_Weighted_Contribution": -0.872088, "FDA_Category_D_and_X_Top_Rank": -0.0901776, "Placenta_Crossing_L1000_Similarity": -0.425882, "Placenta_Crossing_Structural_Similarity": 0.929173, "Placenta_Crossing_Weighted_Contribution": 0.561152, "Placenta_Crossing_Top_Rank": -0.0533341, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I", "InChI_key": "GEHJIACZUFWBTK-UHFFFAOYSA-N" } }, "CID:421610": { "type": "Drug", "properties": { "id": "CID:421610", "label": "gant-61", "lsm": "LSM-4903", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/421610", "FDA_Category_D_L1000_Similarity": -0.15375, "FDA_Category_X_L1000_Similarity": 2.39585, "FDA_Category_D_and_X_L1000_Similarity": 0.595042, "Placenta_Crossing_L1000_Similarity": -0.383586, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C", "InChI_key": "KVQOGDQTWWCZFX-UHFFFAOYSA-N" } }, "CID:4217": { "type": "Drug", "properties": { "id": "CID:4217", "label": "ml-9", "lsm": "LSM-3531", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4217", "FDA_Category_D_L1000_Similarity": -0.691478, "FDA_Category_D_Structural_Similarity": -0.882906, "FDA_Category_D_Weighted_Contribution": -1.06777, "FDA_Category_D_Top_Rank": -0.0957187, "FDA_Category_X_L1000_Similarity": 1.89778, "FDA_Category_X_Structural_Similarity": -0.703182, "FDA_Category_X_Weighted_Contribution": 0.119137, "FDA_Category_X_Top_Rank": -0.00595465, "FDA_Category_D_and_X_L1000_Similarity": -0.0197431, "FDA_Category_D_and_X_Structural_Similarity": -1.08021, "FDA_Category_D_and_X_Weighted_Contribution": -0.949224, "FDA_Category_D_and_X_Top_Rank": -0.0923606, "Placenta_Crossing_L1000_Similarity": -0.268754, "Placenta_Crossing_Structural_Similarity": 0.929173, "Placenta_Crossing_Weighted_Contribution": 0.644414, "Placenta_Crossing_Top_Rank": -0.0533341, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl", "InChI_key": "OZSMSRIUUDGTEP-UHFFFAOYSA-N" } }, "CID:4221587": { "type": "Drug", "properties": { "id": "CID:4221587", "label": "st-4034902", "lsm": "LSM-4378", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4221587", "FDA_Category_D_L1000_Similarity": 0.737467, "FDA_Category_D_Structural_Similarity": 1.0263, "FDA_Category_D_Weighted_Contribution": 1.40128, "FDA_Category_D_Top_Rank": -0.049162, "FDA_Category_X_L1000_Similarity": 0.937597, "FDA_Category_X_Structural_Similarity": -0.449437, "FDA_Category_X_Weighted_Contribution": -0.103405, "FDA_Category_X_Top_Rank": -0.0733509, "FDA_Category_D_and_X_L1000_Similarity": 0.920439, "FDA_Category_D_and_X_Structural_Similarity": 0.572076, "FDA_Category_D_and_X_Weighted_Contribution": 0.950285, "FDA_Category_D_and_X_Top_Rank": -0.0718713, "Placenta_Crossing_L1000_Similarity": 0.305846, "Placenta_Crossing_Structural_Similarity": 1.21429, "Placenta_Crossing_Weighted_Contribution": 1.26237, "Placenta_Crossing_Top_Rank": -0.0390185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)CCC2)C4=CC=CC(=C4)C(F)(F)F)N", "InChI_key": "UFURXKHEKMHLRH-UHFFFAOYSA-N" } }, "CID:4233538": { "type": "Drug", "properties": { "id": "CID:4233538", "label": "nas-181", "lsm": "LSM-1399", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4233538", "FDA_Category_D_L1000_Similarity": 0.568367, "FDA_Category_D_Structural_Similarity": -0.539352, "FDA_Category_D_Weighted_Contribution": -0.29687, "FDA_Category_D_Top_Rank": -0.083513, "FDA_Category_X_L1000_Similarity": -0.31124, "FDA_Category_X_Structural_Similarity": -0.344528, "FDA_Category_X_Weighted_Contribution": -0.562408, "FDA_Category_X_Top_Rank": -0.0872661, "FDA_Category_D_and_X_L1000_Similarity": 0.395421, "FDA_Category_D_and_X_Structural_Similarity": -0.613997, "FDA_Category_D_and_X_Weighted_Contribution": -0.463463, "FDA_Category_D_and_X_Top_Rank": -0.0875057, "Placenta_Crossing_L1000_Similarity": 1.14575, "Placenta_Crossing_Structural_Similarity": -0.58121, "Placenta_Crossing_Weighted_Contribution": -0.134497, "Placenta_Crossing_Top_Rank": -0.0645891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COC(CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4", "InChI_key": "RTKDBEOSPDFLGD-UHFFFAOYSA-N" } }, "CID:42433517": { "type": "Drug", "properties": { "id": "CID:42433517", "label": "baicalin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42433517", "FDA_Category_D_L1000_Similarity": 0.322784, "FDA_Category_D_Structural_Similarity": -0.43045, "FDA_Category_D_Weighted_Contribution": -0.326784, "FDA_Category_D_Top_Rank": -0.0884677, "FDA_Category_X_L1000_Similarity": 0.238504, "FDA_Category_X_Structural_Similarity": 0.99627, "FDA_Category_X_Weighted_Contribution": 1.06263, "FDA_Category_X_Top_Rank": -0.041037, "FDA_Category_D_and_X_L1000_Similarity": 0.350672, "FDA_Category_D_and_X_Structural_Similarity": 0.19593, "FDA_Category_D_and_X_Weighted_Contribution": 0.234114, "FDA_Category_D_and_X_Top_Rank": -0.0817454, "Placenta_Crossing_L1000_Similarity": 0.02061, "Placenta_Crossing_Structural_Similarity": -0.810359, "Placenta_Crossing_Weighted_Contribution": -0.769257, "Placenta_Crossing_Top_Rank": -0.088203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42574": { "type": "Drug", "properties": { "id": "CID:42574", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID42574", "label": "Closantel", "FDA_Category_D_L1000_Similarity": 1.14369, "FDA_Category_D_Structural_Similarity": -0.724202, "FDA_Category_D_Weighted_Contribution": -0.162855, "FDA_Category_D_Top_Rank": -0.0541771, "FDA_Category_X_L1000_Similarity": -0.400721, "FDA_Category_X_Structural_Similarity": 1.52278, "FDA_Category_X_Weighted_Contribution": 1.29817, "FDA_Category_X_Top_Rank": -0.00749066, "FDA_Category_D_and_X_L1000_Similarity": 0.864184, "FDA_Category_D_and_X_Structural_Similarity": 0.246876, "FDA_Category_D_and_X_Weighted_Contribution": 0.575216, "FDA_Category_D_and_X_Top_Rank": -0.0754646, "Placenta_Crossing_L1000_Similarity": 0.0253878, "Placenta_Crossing_Structural_Similarity": -0.40424, "Placenta_Crossing_Weighted_Contribution": -0.466652, "Placenta_Crossing_Top_Rank": -0.0881631, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42601363": { "type": "Drug", "properties": { "id": "CID:42601363", "label": "mw-stk33-22", "lsm": "LSM-4515", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42601363", "FDA_Category_D_L1000_Similarity": 0.883824, "FDA_Category_D_Structural_Similarity": 0.538734, "FDA_Category_D_Weighted_Contribution": 0.961966, "FDA_Category_D_Top_Rank": -0.0697069, "FDA_Category_X_L1000_Similarity": 0.444707, "FDA_Category_X_Structural_Similarity": 0.371118, "FDA_Category_X_Weighted_Contribution": 0.481964, "FDA_Category_X_Top_Rank": -0.0670298, "FDA_Category_D_and_X_L1000_Similarity": 0.896915, "FDA_Category_D_and_X_Structural_Similarity": 0.627854, "FDA_Category_D_and_X_Weighted_Contribution": 0.995712, "FDA_Category_D_and_X_Top_Rank": -0.0696991, "Placenta_Crossing_L1000_Similarity": 1.26127, "Placenta_Crossing_Structural_Similarity": 1.45498, "Placenta_Crossing_Weighted_Contribution": 2.02843, "Placenta_Crossing_Top_Rank": -0.0228062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCC(CC5)O)OC", "InChI_key": "BRHMWNJLFOQRIN-UHFFFAOYSA-N" } }, "CID:42617": { "type": "Drug", "properties": { "id": "CID:42617", "label": "clavulanic-acid", "lsm": "LSM-5434", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42617", "FDA_Category_D_L1000_Similarity": 0.548245, "FDA_Category_D_Structural_Similarity": 0.768126, "FDA_Category_D_Weighted_Contribution": 0.997772, "FDA_Category_D_Top_Rank": -0.0615805, "FDA_Category_X_L1000_Similarity": -0.377702, "FDA_Category_X_Structural_Similarity": -0.605831, "FDA_Category_X_Weighted_Contribution": -0.788117, "FDA_Category_X_Top_Rank": -0.0895918, "FDA_Category_D_and_X_L1000_Similarity": 0.357902, "FDA_Category_D_and_X_Structural_Similarity": 0.282768, "FDA_Category_D_and_X_Weighted_Contribution": 0.323733, "FDA_Category_D_and_X_Top_Rank": -0.0797968, "Placenta_Crossing_L1000_Similarity": 0.458549, "Placenta_Crossing_Structural_Similarity": -0.233118, "Placenta_Crossing_Weighted_Contribution": -0.134975, "Placenta_Crossing_Top_Rank": -0.083608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:4262": { "type": "Drug", "properties": { "id": "CID:4262", "label": "mt-21", "lsm": "LSM-1969", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4262", "FDA_Category_D_L1000_Similarity": -0.135586, "FDA_Category_D_Structural_Similarity": -0.954155, "FDA_Category_D_Weighted_Contribution": -0.915464, "FDA_Category_D_Top_Rank": -0.0932903, "FDA_Category_X_L1000_Similarity": 1.10462, "FDA_Category_X_Structural_Similarity": -0.746099, "FDA_Category_X_Weighted_Contribution": -0.300549, "FDA_Category_X_Top_Rank": -0.0679214, "FDA_Category_D_and_X_L1000_Similarity": 0.218582, "FDA_Category_D_and_X_Structural_Similarity": -1.15992, "FDA_Category_D_and_X_Weighted_Contribution": -0.916481, "FDA_Category_D_and_X_Top_Rank": -0.0899875, "Placenta_Crossing_L1000_Similarity": -0.13987, "Placenta_Crossing_Structural_Similarity": -1.03847, "Placenta_Crossing_Weighted_Contribution": -0.96799, "Placenta_Crossing_Top_Rank": -0.0892194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCN1C(=O)C(=C(C1(C)O)C)C(=O)C", "InChI_key": "IWFCPVZRZLDTPI-UHFFFAOYSA-N" } }, "CID:42633508": { "type": "Drug", "properties": { "id": "CID:42633508", "label": "VU-0238429", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42633508", "FDA_Category_D_L1000_Similarity": -1.23286, "FDA_Category_X_L1000_Similarity": -0.38283, "FDA_Category_D_and_X_L1000_Similarity": -1.179, "Placenta_Crossing_L1000_Similarity": -0.563067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42760": { "type": "Drug", "properties": { "id": "CID:42760", "label": "olvanil", "lsm": "LSM-3941", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42760", "FDA_Category_D_L1000_Similarity": -0.830305, "FDA_Category_D_Structural_Similarity": -0.296246, "FDA_Category_D_Weighted_Contribution": -0.747764, "FDA_Category_D_Top_Rank": -0.0913257, "FDA_Category_X_L1000_Similarity": -0.946762, "FDA_Category_X_Structural_Similarity": -0.203852, "FDA_Category_X_Weighted_Contribution": -0.701329, "FDA_Category_X_Top_Rank": -0.0846528, "FDA_Category_D_and_X_L1000_Similarity": -1.00325, "FDA_Category_D_and_X_Structural_Similarity": -0.345132, "FDA_Category_D_and_X_Weighted_Contribution": -0.834381, "FDA_Category_D_and_X_Top_Rank": -0.0922926, "Placenta_Crossing_L1000_Similarity": -0.614089, "Placenta_Crossing_Structural_Similarity": -0.0727755, "Placenta_Crossing_Weighted_Contribution": -0.461025, "Placenta_Crossing_Top_Rank": -0.0836796, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC", "InChI_key": "OPZKBPQVWDSATI-UHFFFAOYSA-N" } }, "CID:4277": { "type": "Drug", "properties": { "id": "CID:4277", "label": "dicyclohexylurea", "lsm": "LSM-3829", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4277", "FDA_Category_D_L1000_Similarity": -0.0223039, "FDA_Category_D_Structural_Similarity": -0.810044, "FDA_Category_D_Weighted_Contribution": -0.776098, "FDA_Category_D_Top_Rank": -0.09237, "FDA_Category_X_L1000_Similarity": -0.564475, "FDA_Category_X_Structural_Similarity": -0.668495, "FDA_Category_X_Weighted_Contribution": -0.897513, "FDA_Category_X_Top_Rank": -0.0902361, "FDA_Category_D_and_X_L1000_Similarity": -0.190648, "FDA_Category_D_and_X_Structural_Similarity": -1.00366, "FDA_Category_D_and_X_Weighted_Contribution": -0.960737, "FDA_Category_D_and_X_Top_Rank": -0.0935759, "Placenta_Crossing_L1000_Similarity": 0.625613, "Placenta_Crossing_Structural_Similarity": 0.153016, "Placenta_Crossing_Weighted_Contribution": 0.31336, "Placenta_Crossing_Top_Rank": -0.0788414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)NC(=O)NC2CCCCC2", "InChI_key": "ADFXKUOMJKEIND-UHFFFAOYSA-N" } }, "CID:4284": { "type": "Drug", "properties": { "id": "CID:4284", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4284", "label": "diethyltoluamide", "FDA_Category_D_L1000_Similarity": 0.567316, "FDA_Category_D_Structural_Similarity": -0.782959, "FDA_Category_D_Weighted_Contribution": -0.499261, "FDA_Category_D_Top_Rank": -0.0835464, "FDA_Category_X_L1000_Similarity": 0.170835, "FDA_Category_X_Structural_Similarity": -0.0149545, "FDA_Category_X_Weighted_Contribution": -0.0546543, "FDA_Category_X_Top_Rank": -0.0801467, "FDA_Category_D_and_X_L1000_Similarity": 0.540921, "FDA_Category_D_and_X_Structural_Similarity": -0.629515, "FDA_Category_D_and_X_Weighted_Contribution": -0.410695, "FDA_Category_D_and_X_Top_Rank": -0.0848554, "Placenta_Crossing_L1000_Similarity": 0.844496, "Placenta_Crossing_Structural_Similarity": -0.443608, "Placenta_Crossing_Weighted_Contribution": -0.148155, "Placenta_Crossing_Top_Rank": -0.0751563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)C1=CC=CC(=C1)C", "InChI_key": "MMOXZBCLCQITDF-UHFFFAOYSA-N" } }, "CID:4284525": { "type": "Drug", "properties": { "id": "CID:4284525", "label": "GR-135531", "lsm": "LSM-3869", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4284525", "FDA_Category_D_L1000_Similarity": 0.0583691, "FDA_Category_D_Structural_Similarity": -0.402334, "FDA_Category_D_Weighted_Contribution": -0.43263, "FDA_Category_D_Top_Rank": -0.0916721, "FDA_Category_X_L1000_Similarity": -0.136893, "FDA_Category_X_Structural_Similarity": -0.297415, "FDA_Category_X_Weighted_Contribution": -0.451084, "FDA_Category_X_Top_Rank": -0.0864774, "FDA_Category_D_and_X_L1000_Similarity": 0.00875159, "FDA_Category_D_and_X_Structural_Similarity": -0.479822, "FDA_Category_D_and_X_Weighted_Contribution": -0.52779, "FDA_Category_D_and_X_Top_Rank": -0.0921208, "Placenta_Crossing_L1000_Similarity": 0.356726, "Placenta_Crossing_Structural_Similarity": -0.677736, "Placenta_Crossing_Weighted_Contribution": -0.549125, "Placenta_Crossing_Top_Rank": -0.0849891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4284720": { "type": "Drug", "properties": { "id": "CID:4284720", "label": "bw-723c86", "lsm": "LSM-1351", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4284720", "FDA_Category_D_L1000_Similarity": -0.687953, "FDA_Category_D_Structural_Similarity": -0.102076, "FDA_Category_D_Weighted_Contribution": -0.541951, "FDA_Category_D_Top_Rank": -0.0875949, "FDA_Category_X_L1000_Similarity": 1.89529, "FDA_Category_X_Structural_Similarity": 1.13609, "FDA_Category_X_Weighted_Contribution": 2.14975, "FDA_Category_X_Top_Rank": -0.0064209, "FDA_Category_D_and_X_L1000_Similarity": -0.0174594, "FDA_Category_D_and_X_Structural_Similarity": 0.532008, "FDA_Category_D_and_X_Weighted_Contribution": 0.362467, "FDA_Category_D_and_X_Top_Rank": -0.072918, "Placenta_Crossing_L1000_Similarity": -0.570846, "Placenta_Crossing_Structural_Similarity": -0.588478, "Placenta_Crossing_Weighted_Contribution": -0.82191, "Placenta_Crossing_Top_Rank": -0.0904546, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N", "InChI_key": "ALFGDCNSEBJYSP-UHFFFAOYSA-N" } }, "CID:4298": { "type": "Drug", "properties": { "id": "CID:4298", "label": "w-12", "lsm": "LSM-3753", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4298", "FDA_Category_D_L1000_Similarity": 1.25435, "FDA_Category_D_Structural_Similarity": 0.150859, "FDA_Category_D_Weighted_Contribution": 0.77706, "FDA_Category_D_Top_Rank": -0.0436252, "FDA_Category_X_L1000_Similarity": -0.206986, "FDA_Category_X_Structural_Similarity": -0.130262, "FDA_Category_X_Weighted_Contribution": -0.336626, "FDA_Category_X_Top_Rank": -0.0829911, "FDA_Category_D_and_X_L1000_Similarity": 1.01841, "FDA_Category_D_and_X_Structural_Similarity": 0.0494499, "FDA_Category_D_and_X_Weighted_Contribution": 0.461475, "FDA_Category_D_and_X_Top_Rank": -0.0679463, "Placenta_Crossing_L1000_Similarity": 0.540563, "Placenta_Crossing_Structural_Similarity": -0.0851075, "Placenta_Crossing_Weighted_Contribution": 0.0397133, "Placenta_Crossing_Top_Rank": -0.0822489, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN", "InChI_key": "BUGAJERDTXSWQA-UHFFFAOYSA-N" } }, "CID:4299": { "type": "Drug", "properties": { "id": "CID:4299", "label": "w-13", "lsm": "LSM-2991", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4299", "FDA_Category_D_L1000_Similarity": 0.114449, "FDA_Category_D_Structural_Similarity": -0.511444, "FDA_Category_D_Weighted_Contribution": -0.494226, "FDA_Category_D_Top_Rank": -0.0911233, "FDA_Category_X_L1000_Similarity": 0.353392, "FDA_Category_X_Structural_Similarity": -0.489206, "FDA_Category_X_Weighted_Contribution": -0.405272, "FDA_Category_X_Top_Rank": -0.084352, "FDA_Category_D_and_X_L1000_Similarity": 0.205978, "FDA_Category_D_and_X_Structural_Similarity": -0.669913, "FDA_Category_D_and_X_Weighted_Contribution": -0.587995, "FDA_Category_D_and_X_Top_Rank": -0.090143, "Placenta_Crossing_L1000_Similarity": 0.154411, "Placenta_Crossing_Structural_Similarity": -0.693155, "Placenta_Crossing_Weighted_Contribution": -0.637872, "Placenta_Crossing_Top_Rank": -0.0870335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCN)C(=C1)Cl", "InChI_key": "JJQKICOADUKSNS-UHFFFAOYSA-N" } }, "CID:4302960": { "type": "Drug", "properties": { "id": "CID:4302960", "label": "gr-103691", "lsm": "LSM-3121", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4302960", "FDA_Category_D_L1000_Similarity": 0.106307, "FDA_Category_D_Structural_Similarity": 0.239304, "FDA_Category_D_Weighted_Contribution": 0.173046, "FDA_Category_D_Top_Rank": -0.0788715, "FDA_Category_X_L1000_Similarity": 2.32655, "FDA_Category_X_Structural_Similarity": -0.089813, "FDA_Category_X_Weighted_Contribution": 1.01584, "FDA_Category_X_Top_Rank": 0.0851194, "FDA_Category_D_and_X_L1000_Similarity": 0.798171, "FDA_Category_D_and_X_Structural_Similarity": 0.141476, "FDA_Category_D_and_X_Weighted_Contribution": 0.429589, "FDA_Category_D_and_X_Top_Rank": -0.0778375, "Placenta_Crossing_L1000_Similarity": -0.829054, "Placenta_Crossing_Structural_Similarity": 1.11886, "Placenta_Crossing_Weighted_Contribution": 0.545733, "Placenta_Crossing_Top_Rank": -0.0445547, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC", "InChI_key": "JARNORYOPMINDY-UHFFFAOYSA-N" } }, "CID:4302962": { "type": "Drug", "properties": { "id": "CID:4302962", "label": "am-281", "lsm": "LSM-3318", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4302962", "FDA_Category_D_L1000_Similarity": -0.356603, "FDA_Category_D_Structural_Similarity": 0.00212002, "FDA_Category_D_Weighted_Contribution": -0.297022, "FDA_Category_D_Top_Rank": -0.0851699, "FDA_Category_X_L1000_Similarity": -0.0921165, "FDA_Category_X_Structural_Similarity": -0.390942, "FDA_Category_X_Weighted_Contribution": -0.510661, "FDA_Category_X_Top_Rank": -0.088065, "FDA_Category_D_and_X_L1000_Similarity": -0.335365, "FDA_Category_D_and_X_Structural_Similarity": -0.209268, "FDA_Category_D_and_X_Weighted_Contribution": -0.467352, "FDA_Category_D_and_X_Top_Rank": -0.0903931, "Placenta_Crossing_L1000_Similarity": -0.161443, "Placenta_Crossing_Structural_Similarity": -0.759601, "Placenta_Crossing_Weighted_Contribution": -0.797486, "Placenta_Crossing_Top_Rank": -0.0893686, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N(N=C1C(=O)NN2CCOCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I", "InChI_key": "AJFFBPZYXRNAIC-UHFFFAOYSA-N" } }, "CID:4302963": { "type": "Drug", "properties": { "id": "CID:4302963", "label": "am-630", "lsm": "LSM-3415", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4302963", "FDA_Category_D_L1000_Similarity": -1.00132, "FDA_Category_D_Structural_Similarity": 1.07592, "FDA_Category_D_Weighted_Contribution": 0.361461, "FDA_Category_D_Top_Rank": -0.0467233, "FDA_Category_X_L1000_Similarity": -0.484248, "FDA_Category_X_Structural_Similarity": 0.0548387, "FDA_Category_X_Weighted_Contribution": -0.295293, "FDA_Category_X_Top_Rank": -0.0784467, "FDA_Category_D_and_X_L1000_Similarity": -1.01021, "FDA_Category_D_and_X_Structural_Similarity": 0.883565, "FDA_Category_D_and_X_Weighted_Contribution": 0.161137, "FDA_Category_D_and_X_Top_Rank": -0.059078, "Placenta_Crossing_L1000_Similarity": -0.802903, "Placenta_Crossing_Structural_Similarity": 1.40397, "Placenta_Crossing_Weighted_Contribution": 0.86051, "Placenta_Crossing_Top_Rank": -0.025936, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OC", "InChI_key": "JHOTYHDSLIUKCJ-UHFFFAOYSA-N" } }, "CID:4302964": { "type": "Drug", "properties": { "id": "CID:4302964", "label": "KU-14R", "lsm": "LSM-1509", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4302964", "FDA_Category_D_L1000_Similarity": 0.983366, "FDA_Category_D_Structural_Similarity": 0.103489, "FDA_Category_D_Weighted_Contribution": 0.557976, "FDA_Category_D_Top_Rank": -0.0662032, "FDA_Category_X_L1000_Similarity": 2.6299, "FDA_Category_X_Structural_Similarity": 6.71285, "FDA_Category_X_Weighted_Contribution": 4.64941, "FDA_Category_X_Top_Rank": 1.90914, "FDA_Category_D_and_X_L1000_Similarity": 1.64633, "FDA_Category_D_and_X_Structural_Similarity": 3.70437, "FDA_Category_D_and_X_Weighted_Contribution": 3.77265, "FDA_Category_D_and_X_Top_Rank": 0.521069, "Placenta_Crossing_L1000_Similarity": 1.94555, "Placenta_Crossing_Structural_Similarity": 3.52109, "Placenta_Crossing_Weighted_Contribution": 3.76189, "Placenta_Crossing_Top_Rank": 0.364475, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4309557": { "type": "Drug", "properties": { "id": "CID:4309557", "label": "tetramethyl-haematoxylone", "lsm": "LSM-3804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4309557", "FDA_Category_D_L1000_Similarity": -0.0978792, "FDA_Category_D_Structural_Similarity": -0.477986, "FDA_Category_D_Weighted_Contribution": -0.565522, "FDA_Category_D_Top_Rank": -0.0929861, "FDA_Category_X_L1000_Similarity": 0.829517, "FDA_Category_X_Structural_Similarity": -0.289529, "FDA_Category_X_Weighted_Contribution": -0.00110037, "FDA_Category_X_Top_Rank": -0.0761887, "FDA_Category_D_and_X_L1000_Similarity": 0.167535, "FDA_Category_D_and_X_Structural_Similarity": -0.535613, "FDA_Category_D_and_X_Weighted_Contribution": -0.502136, "FDA_Category_D_and_X_Top_Rank": -0.0906417, "Placenta_Crossing_L1000_Similarity": 0.726947, "Placenta_Crossing_Structural_Similarity": -0.862494, "Placenta_Crossing_Weighted_Contribution": -0.546775, "Placenta_Crossing_Top_Rank": -0.0782415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(C=C1)C(=O)C3=CC(=C(C=C3CC(=O)CO2)OC)OC)OC", "InChI_key": "OAQFLNPTAZZENS-UHFFFAOYSA-N" } }, "CID:4314": { "type": "Drug", "properties": { "id": "CID:4314", "label": "w-5", "lsm": "LSM-2932", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4314", "FDA_Category_D_L1000_Similarity": 1.27002, "FDA_Category_D_Structural_Similarity": -0.170867, "FDA_Category_D_Weighted_Contribution": 0.446982, "FDA_Category_D_Top_Rank": -0.0413857, "FDA_Category_X_L1000_Similarity": 0.706769, "FDA_Category_X_Structural_Similarity": -0.262036, "FDA_Category_X_Weighted_Contribution": -0.0342077, "FDA_Category_X_Top_Rank": -0.0789997, "FDA_Category_D_and_X_L1000_Similarity": 1.30941, "FDA_Category_D_and_X_Structural_Similarity": -0.277013, "FDA_Category_D_and_X_Weighted_Contribution": 0.297547, "FDA_Category_D_and_X_Top_Rank": -0.0461369, "Placenta_Crossing_L1000_Similarity": 1.4497, "Placenta_Crossing_Structural_Similarity": 0.0176893, "Placenta_Crossing_Weighted_Contribution": 0.602843, "Placenta_Crossing_Top_Rank": -0.0444477, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCCCCN", "InChI_key": "FVJRBJIENDRNBE-UHFFFAOYSA-N" } }, "CID:4355450": { "type": "Drug", "properties": { "id": "CID:4355450", "label": "ly-225910", "lsm": "LSM-2740", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4355450", "FDA_Category_D_L1000_Similarity": -0.213155, "FDA_Category_D_Structural_Similarity": -0.575342, "FDA_Category_D_Weighted_Contribution": -0.68898, "FDA_Category_D_Top_Rank": -0.0937624, "FDA_Category_X_L1000_Similarity": -1.2465, "FDA_Category_X_Structural_Similarity": -0.586824, "FDA_Category_X_Weighted_Contribution": -1.06402, "FDA_Category_X_Top_Rank": -0.0909233, "FDA_Category_D_and_X_L1000_Similarity": -0.56228, "FDA_Category_D_and_X_Structural_Similarity": -0.773304, "FDA_Category_D_and_X_Weighted_Contribution": -0.947556, "FDA_Category_D_and_X_Top_Rank": -0.0952932, "Placenta_Crossing_L1000_Similarity": -0.74976, "Placenta_Crossing_Structural_Similarity": -0.709353, "Placenta_Crossing_Weighted_Contribution": -0.956102, "Placenta_Crossing_Top_Rank": -0.0912948, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CCC4=CNC5=C4C=C(C=C5)Br", "InChI_key": "KUECXUACQOYKNB-UHFFFAOYSA-N" } }, "CID:4380": { "type": "Drug", "properties": { "id": "CID:4380", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4380", "label": "clorgiline", "FDA_Category_D_L1000_Similarity": -0.084568, "FDA_Category_D_Structural_Similarity": -0.0542086, "FDA_Category_D_Weighted_Contribution": -0.206921, "FDA_Category_D_Top_Rank": -0.0864338, "FDA_Category_X_L1000_Similarity": -0.541596, "FDA_Category_X_Structural_Similarity": 2.13735, "FDA_Category_X_Weighted_Contribution": 1.91235, "FDA_Category_X_Top_Rank": 0.0577625, "FDA_Category_D_and_X_L1000_Similarity": -0.237365, "FDA_Category_D_and_X_Structural_Similarity": 1.11028, "FDA_Category_D_and_X_Weighted_Contribution": 0.832572, "FDA_Category_D_and_X_Top_Rank": -0.0454519, "Placenta_Crossing_L1000_Similarity": 0.151042, "Placenta_Crossing_Structural_Similarity": 0.279915, "Placenta_Crossing_Weighted_Contribution": 0.200659, "Placenta_Crossing_Top_Rank": -0.0755462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C", "InChI_key": "BTFHLQRNAMSNLC-UHFFFAOYSA-N" } }, "CID:439533": { "type": "Drug", "properties": { "id": "CID:439533", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID439533", "label": "taxifolin", "FDA_Category_D_L1000_Similarity": 1.3199, "FDA_Category_X_L1000_Similarity": 1.72614, "FDA_Category_D_and_X_L1000_Similarity": 1.66197, "Placenta_Crossing_L1000_Similarity": 1.7528, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O", "InChI_key": "CXQWRCVTCMQVQX-LSDHHAIUSA-N" } }, "CID:439654": { "type": "Drug", "properties": { "id": "CID:439654", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID439654", "label": "scoulerine", "FDA_Category_D_L1000_Similarity": 1.02796, "FDA_Category_D_Structural_Similarity": -0.703716, "FDA_Category_D_Weighted_Contribution": -0.205169, "FDA_Category_D_Top_Rank": -0.0637464, "FDA_Category_X_L1000_Similarity": -0.965465, "FDA_Category_X_Structural_Similarity": -0.0561124, "FDA_Category_X_Weighted_Contribution": -0.593714, "FDA_Category_X_Top_Rank": -0.0810737, "FDA_Category_D_and_X_L1000_Similarity": 0.592932, "FDA_Category_D_and_X_Structural_Similarity": -0.588827, "FDA_Category_D_and_X_Weighted_Contribution": -0.353629, "FDA_Category_D_and_X_Top_Rank": -0.0836581, "Placenta_Crossing_L1000_Similarity": 0.809675, "Placenta_Crossing_Structural_Similarity": 0.963132, "Placenta_Crossing_Weighted_Contribution": 1.26717, "Placenta_Crossing_Top_Rank": -0.0519269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O", "InChI_key": "KNWVMRVOBAFFMH-HNNXBMFYSA-N" } }, "CID:44093": { "type": "Drug", "properties": { "id": "CID:44093", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44093", "label": "captopril", "FDA_Category_D_L1000_Similarity": 0.439547, "FDA_Category_D_Structural_Similarity": 7.92307, "FDA_Category_D_Weighted_Contribution": 4.45385, "FDA_Category_D_Top_Rank": 4.68217, "FDA_Category_X_L1000_Similarity": -1.25301, "FDA_Category_X_Structural_Similarity": -0.1394, "FDA_Category_X_Weighted_Contribution": -0.76744, "FDA_Category_X_Top_Rank": -0.0831344, "FDA_Category_D_and_X_L1000_Similarity": -0.00162376, "FDA_Category_D_and_X_Structural_Similarity": 6.21343, "FDA_Category_D_and_X_Weighted_Contribution": 4.17499, "FDA_Category_D_and_X_Top_Rank": 2.39341, "Placenta_Crossing_L1000_Similarity": 0.653226, "Placenta_Crossing_Structural_Similarity": 4.83807, "Placenta_Crossing_Weighted_Contribution": 3.99188, "Placenta_Crossing_Top_Rank": 0.868598, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(CS)C(=O)N1CCCC1C(=O)O", "InChI_key": "FAKRSMQSSFJEIM-RQJHMYQMSA-N" } }, "CID:4412255": { "type": "Drug", "properties": { "id": "CID:4412255", "label": "cp-55940", "lsm": "LSM-1260", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4412255", "FDA_Category_D_L1000_Similarity": -1.12413, "FDA_Category_D_Structural_Similarity": 0.0852435, "FDA_Category_D_Weighted_Contribution": -0.594444, "FDA_Category_D_Top_Rank": -0.0829759, "FDA_Category_X_L1000_Similarity": 0.799046, "FDA_Category_X_Structural_Similarity": 2.78744, "FDA_Category_X_Weighted_Contribution": 3.18898, "FDA_Category_X_Top_Rank": 0.163835, "FDA_Category_D_and_X_L1000_Similarity": -0.726361, "FDA_Category_D_and_X_Structural_Similarity": 1.57175, "FDA_Category_D_and_X_Weighted_Contribution": 1.03197, "FDA_Category_D_and_X_Top_Rank": -0.00844943, "Placenta_Crossing_L1000_Similarity": -0.742518, "Placenta_Crossing_Structural_Similarity": 0.0802046, "Placenta_Crossing_Weighted_Contribution": -0.389834, "Placenta_Crossing_Top_Rank": -0.0805143, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O", "InChI_key": "YNZFFALZMRAPHQ-UHFFFAOYSA-N" } }, "CID:441243": { "type": "Drug", "properties": { "id": "CID:441243", "label": "saquinavir", "lsm": "LSM-2205", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441243", "FDA_Category_D_L1000_Similarity": -0.124896, "FDA_Category_D_Structural_Similarity": 1.857, "FDA_Category_D_Weighted_Contribution": 1.75349, "FDA_Category_D_Top_Rank": 0.0264929, "FDA_Category_X_L1000_Similarity": -0.235669, "FDA_Category_X_Structural_Similarity": 0.0819185, "FDA_Category_X_Weighted_Contribution": -0.156154, "FDA_Category_X_Top_Rank": -0.0776874, "FDA_Category_D_and_X_L1000_Similarity": -0.179237, "FDA_Category_D_and_X_Structural_Similarity": 1.51813, "FDA_Category_D_and_X_Weighted_Contribution": 1.30294, "FDA_Category_D_and_X_Top_Rank": -0.0127627, "Placenta_Crossing_L1000_Similarity": -1.30338, "Placenta_Crossing_Structural_Similarity": 2.81502, "Placenta_Crossing_Weighted_Contribution": 2.0878, "Placenta_Crossing_Top_Rank": 0.150058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O", "InChI_key": "QWAXKHKRTORLEM-UGJKXSETSA-N" } }, "CID:441328": { "type": "Drug", "properties": { "id": "CID:441328", "label": "7-aminocephalosporanic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441328", "FDA_Category_D_L1000_Similarity": 0.734381, "FDA_Category_D_Structural_Similarity": 0.635977, "FDA_Category_D_Weighted_Contribution": 0.972556, "FDA_Category_D_Top_Rank": -0.0663216, "FDA_Category_X_L1000_Similarity": -0.47754, "FDA_Category_X_Structural_Similarity": -0.0223899, "FDA_Category_X_Weighted_Contribution": -0.360875, "FDA_Category_X_Top_Rank": -0.0803264, "FDA_Category_D_and_X_L1000_Similarity": 0.488025, "FDA_Category_D_and_X_Structural_Similarity": 0.492702, "FDA_Category_D_and_X_Weighted_Contribution": 0.611398, "FDA_Category_D_and_X_Top_Rank": -0.0741024, "Placenta_Crossing_L1000_Similarity": 0.388171, "Placenta_Crossing_Structural_Similarity": 5.74248, "Placenta_Crossing_Weighted_Contribution": 4.17052, "Placenta_Crossing_Top_Rank": 1.7066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:441336": { "type": "Drug", "properties": { "id": "CID:441336", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441336", "label": "mometasone furoate", "FDA_Category_D_L1000_Similarity": -0.968939, "FDA_Category_D_Structural_Similarity": 0.570215, "FDA_Category_D_Weighted_Contribution": -0.11083, "FDA_Category_D_Top_Rank": -0.0685182, "FDA_Category_X_L1000_Similarity": -0.205034, "FDA_Category_X_Structural_Similarity": 2.72697, "FDA_Category_X_Weighted_Contribution": 2.69723, "FDA_Category_X_Top_Rank": 0.148365, "FDA_Category_D_and_X_L1000_Similarity": -0.897507, "FDA_Category_D_and_X_Structural_Similarity": 1.92405, "FDA_Category_D_and_X_Weighted_Contribution": 1.30646, "FDA_Category_D_and_X_Top_Rank": 0.0271572, "Placenta_Crossing_L1000_Similarity": -0.953709, "Placenta_Crossing_Structural_Similarity": 0.774372, "Placenta_Crossing_Weighted_Contribution": 0.13651, "Placenta_Crossing_Top_Rank": -0.0603543, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C", "InChI_key": "WOFMFGQZHJDGCX-ZULDAHANSA-N" } }, "CID:441383": { "type": "Drug", "properties": { "id": "CID:441383", "label": "terconazole", "ref": "LSM-3923", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441383", "FDA_Category_D_L1000_Similarity": -0.559643, "FDA_Category_D_Structural_Similarity": 4.13711, "FDA_Category_D_Weighted_Contribution": 3.47612, "FDA_Category_D_Top_Rank": 0.580483, "FDA_Category_X_L1000_Similarity": 2.25575, "FDA_Category_X_Structural_Similarity": -0.23858, "FDA_Category_X_Weighted_Contribution": 0.808209, "FDA_Category_X_Top_Rank": 0.0638055, "FDA_Category_D_and_X_L1000_Similarity": 0.202604, "FDA_Category_D_and_X_Structural_Similarity": 3.15494, "FDA_Category_D_and_X_Weighted_Contribution": 3.03322, "FDA_Category_D_and_X_Top_Rank": 0.260364, "Placenta_Crossing_L1000_Similarity": -0.114266, "Placenta_Crossing_Structural_Similarity": -0.801498, "Placenta_Crossing_Weighted_Contribution": -0.809529, "Placenta_Crossing_Top_Rank": -0.0890795, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl", "InChI_key": "BLSQLHNBWJLIBQ-OZXSUGGESA-N" } }, "CID:44139710": { "type": "Drug", "properties": { "id": "CID:44139710", "label": "kin001-220", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44139710", "FDA_Category_D_L1000_Similarity": -0.207258, "FDA_Category_D_Structural_Similarity": -0.0538297, "FDA_Category_D_Weighted_Contribution": -0.269749, "FDA_Category_D_Top_Rank": -0.0864095, "FDA_Category_X_L1000_Similarity": 1.0572, "FDA_Category_X_Structural_Similarity": -0.0123349, "FDA_Category_X_Weighted_Contribution": 0.399507, "FDA_Category_X_Top_Rank": -0.0695885, "FDA_Category_D_and_X_L1000_Similarity": 0.14239, "FDA_Category_D_and_X_Structural_Similarity": -0.0493812, "FDA_Category_D_and_X_Weighted_Contribution": -0.106044, "FDA_Category_D_and_X_Top_Rank": -0.0872818, "Placenta_Crossing_L1000_Similarity": 0.587847, "Placenta_Crossing_Structural_Similarity": 0.26863, "Placenta_Crossing_Weighted_Contribution": 0.410689, "Placenta_Crossing_Top_Rank": -0.075886, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F", "InChI_key": "AKSIZPIFQAYJGF-UHFFFAOYSA-N" } }, "CID:441401": { "type": "Drug", "properties": { "id": "CID:441401", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441401", "label": "linezolid", "ref": "LSM-5750", "FDA_Category_D_L1000_Similarity": 1.78355, "FDA_Category_D_Structural_Similarity": -0.317256, "FDA_Category_D_Weighted_Contribution": 0.608363, "FDA_Category_D_Top_Rank": 0.0677721, "FDA_Category_X_L1000_Similarity": 1.09532, "FDA_Category_X_Structural_Similarity": 0.231788, "FDA_Category_X_Weighted_Contribution": 0.685462, "FDA_Category_X_Top_Rank": -0.0682018, "FDA_Category_D_and_X_L1000_Similarity": 1.87007, "FDA_Category_D_and_X_Structural_Similarity": -0.126738, "FDA_Category_D_and_X_Weighted_Contribution": 0.773796, "FDA_Category_D_and_X_Top_Rank": 0.0504819, "Placenta_Crossing_L1000_Similarity": 1.51781, "Placenta_Crossing_Structural_Similarity": 0.0860405, "Placenta_Crossing_Weighted_Contribution": 0.710977, "Placenta_Crossing_Top_Rank": -0.038095, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F", "InChI_key": "TYZROVQLWOKYKF-ZDUSSCGKSA-N" } }, "CID:44143370": { "type": "Drug", "properties": { "id": "CID:44143370", "label": "kin001-266", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44143370", "FDA_Category_D_L1000_Similarity": 2.41985, "FDA_Category_D_Structural_Similarity": -0.534633, "FDA_Category_D_Weighted_Contribution": 0.773843, "FDA_Category_D_Top_Rank": 0.705652, "FDA_Category_X_L1000_Similarity": 1.81405, "FDA_Category_X_Structural_Similarity": -0.622747, "FDA_Category_X_Weighted_Contribution": 0.158174, "FDA_Category_X_Top_Rank": -0.0171984, "FDA_Category_D_and_X_L1000_Similarity": 2.63684, "FDA_Category_D_and_X_Structural_Similarity": -0.760377, "FDA_Category_D_and_X_Weighted_Contribution": 0.561228, "FDA_Category_D_and_X_Top_Rank": 0.741344, "Placenta_Crossing_L1000_Similarity": 1.46724, "Placenta_Crossing_Structural_Similarity": -0.523711, "Placenta_Crossing_Weighted_Contribution": 0.0695447, "Placenta_Crossing_Top_Rank": -0.0430732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCC(CC1)N2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl", "InChI_key": "PHNZIIMWDVXPGG-UHFFFAOYSA-N" } }, "CID:44143772": { "type": "Drug", "properties": { "id": "CID:44143772", "label": "utmb-00530", "lsm": "LSM-4853", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44143772", "FDA_Category_D_L1000_Similarity": 0.537333, "FDA_Category_D_Structural_Similarity": 0.082423, "FDA_Category_D_Weighted_Contribution": 0.267917, "FDA_Category_D_Top_Rank": -0.0830674, "FDA_Category_X_L1000_Similarity": -2.11891, "FDA_Category_X_Structural_Similarity": 0.312629, "FDA_Category_X_Weighted_Contribution": -0.753689, "FDA_Category_X_Top_Rank": -0.0692731, "FDA_Category_D_and_X_L1000_Similarity": -0.180288, "FDA_Category_D_and_X_Structural_Similarity": 0.234114, "FDA_Category_D_and_X_Weighted_Contribution": -0.0125899, "FDA_Category_D_and_X_Top_Rank": -0.0809676, "Placenta_Crossing_L1000_Similarity": 0.617271, "Placenta_Crossing_Structural_Similarity": 0.390491, "Placenta_Crossing_Weighted_Contribution": 0.551302, "Placenta_Crossing_Top_Rank": -0.0727846, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2CC(=CC(=O)C2)C3=CC=CC4=C3SC5=CC=CC=C45)OC", "InChI_key": "RVZKNQZODAWORS-QGZVFWFLSA-N" } }, "CID:44224257": { "type": "Drug", "properties": { "id": "CID:44224257", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44224257", "label": "filanesib", "FDA_Category_D_L1000_Similarity": -0.0764679, "FDA_Category_D_Structural_Similarity": -0.272233, "FDA_Category_D_Weighted_Contribution": -0.390435, "FDA_Category_D_Top_Rank": -0.0908982, "FDA_Category_X_L1000_Similarity": -1.28122, "FDA_Category_X_Structural_Similarity": -0.559925, "FDA_Category_X_Weighted_Contribution": -1.05824, "FDA_Category_X_Top_Rank": -0.0906082, "FDA_Category_D_and_X_L1000_Similarity": -0.455002, "FDA_Category_D_and_X_Structural_Similarity": -0.518208, "FDA_Category_D_and_X_Weighted_Contribution": -0.74471, "FDA_Category_D_and_X_Top_Rank": -0.0941479, "Placenta_Crossing_L1000_Similarity": -0.472857, "Placenta_Crossing_Structural_Similarity": -0.500169, "Placenta_Crossing_Weighted_Contribution": -0.727807, "Placenta_Crossing_Top_Rank": -0.0896983, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC", "InChI_key": "LLXISKGBWFTGEI-FQEVSTJZSA-N" } }, "CID:44229302": { "type": "Drug", "properties": { "id": "CID:44229302", "label": "ran-05", "lsm": "LSM-29349", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44229302", "FDA_Category_D_L1000_Similarity": -1.73576, "FDA_Category_D_Structural_Similarity": -0.17891, "FDA_Category_D_Weighted_Contribution": -1.01437, "FDA_Category_D_Top_Rank": -0.0890916, "FDA_Category_X_L1000_Similarity": -1.02083, "FDA_Category_X_Structural_Similarity": -0.528381, "FDA_Category_X_Weighted_Contribution": -0.956248, "FDA_Category_X_Top_Rank": -0.0902029, "FDA_Category_D_and_X_L1000_Similarity": -1.80626, "FDA_Category_D_and_X_Structural_Similarity": -0.427116, "FDA_Category_D_and_X_Weighted_Contribution": -1.1427, "FDA_Category_D_and_X_Top_Rank": -0.0932581, "Placenta_Crossing_L1000_Similarity": -2.635, "Placenta_Crossing_Structural_Similarity": -0.939318, "Placenta_Crossing_Weighted_Contribution": -1.50337, "Placenta_Crossing_Top_Rank": -0.0922848, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)C1=NC(=NC2=CC=CC=C21)N3CCCC3", "InChI_key": "OGHCQVZDGSDMAO-UHFFFAOYSA-N" } }, "CID:4423427": { "type": "Drug", "properties": { "id": "CID:4423427", "label": "st-019366", "lsm": "LSM-4420", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4423427", "FDA_Category_D_L1000_Similarity": -0.142857, "FDA_Category_X_L1000_Similarity": -1.08778, "FDA_Category_D_and_X_L1000_Similarity": -0.453485, "Placenta_Crossing_L1000_Similarity": -0.187514, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)NC1CC2C(C3=CC=CC(=C3NC2=O)C)OC1=O", "InChI_key": "PLYNMYXRDBMNTN-UHFFFAOYSA-N" } }, "CID:442397": { "type": "Drug", "properties": { "id": "CID:442397", "label": "fisetinidol", "lsm": "LSM-4014", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442397", "FDA_Category_D_L1000_Similarity": -0.24324, "FDA_Category_D_Structural_Similarity": 0.418274, "FDA_Category_D_Weighted_Contribution": 0.147821, "FDA_Category_D_Top_Rank": -0.0738786, "FDA_Category_X_L1000_Similarity": 0.569225, "FDA_Category_X_Structural_Similarity": 0.0445914, "FDA_Category_X_Weighted_Contribution": 0.203579, "FDA_Category_X_Top_Rank": -0.0786896, "FDA_Category_D_and_X_L1000_Similarity": -0.0368114, "FDA_Category_D_and_X_Structural_Similarity": 0.356051, "FDA_Category_D_and_X_Weighted_Contribution": 0.17863, "FDA_Category_D_and_X_Top_Rank": -0.0781974, "Placenta_Crossing_L1000_Similarity": -0.715415, "Placenta_Crossing_Structural_Similarity": -0.91856, "Placenta_Crossing_Weighted_Contribution": -1.06738, "Placenta_Crossing_Top_Rank": -0.0913464, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O)O", "InChI_key": "VFZYLYJWCROVLO-DZGCQCFKSA-N" } }, "CID:44246708": { "type": "Drug", "properties": { "id": "CID:44246708", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44246708", "label": "Minocycline", "FDA_Category_D_L1000_Similarity": -0.626047, "FDA_Category_D_Structural_Similarity": 4.24232, "FDA_Category_D_Weighted_Contribution": 3.51429, "FDA_Category_D_Top_Rank": 0.662517, "FDA_Category_X_L1000_Similarity": -0.383093, "FDA_Category_X_Structural_Similarity": 1.74906, "FDA_Category_X_Weighted_Contribution": 1.56596, "FDA_Category_X_Top_Rank": 0.0108578, "FDA_Category_D_and_X_L1000_Similarity": -0.655998, "FDA_Category_D_and_X_Structural_Similarity": 4.31098, "FDA_Category_D_and_X_Weighted_Contribution": 3.45822, "FDA_Category_D_and_X_Top_Rank": 0.886928, "Placenta_Crossing_L1000_Similarity": -0.83943, "Placenta_Crossing_Structural_Similarity": 1.92615, "Placenta_Crossing_Weighted_Contribution": 1.40363, "Placenta_Crossing_Top_Rank": 0.0228098, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:44247543": { "type": "Drug", "properties": { "id": "CID:44247543", "label": "vu-0402605", "lsm": "LSM-1862", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44247543", "FDA_Category_D_L1000_Similarity": 0.203968, "FDA_Category_D_Structural_Similarity": -0.585011, "FDA_Category_D_Weighted_Contribution": -0.511021, "FDA_Category_D_Top_Rank": -0.0901604, "FDA_Category_X_L1000_Similarity": 1.58119, "FDA_Category_X_Structural_Similarity": -0.260258, "FDA_Category_X_Weighted_Contribution": 0.414736, "FDA_Category_X_Top_Rank": -0.0411563, "FDA_Category_D_and_X_L1000_Similarity": 0.656006, "FDA_Category_D_and_X_Structural_Similarity": -0.604765, "FDA_Category_D_and_X_Weighted_Contribution": -0.337534, "FDA_Category_D_and_X_Top_Rank": -0.0823144, "Placenta_Crossing_L1000_Similarity": -0.283082, "Placenta_Crossing_Structural_Similarity": 0.52301, "Placenta_Crossing_Weighted_Contribution": 0.223088, "Placenta_Crossing_Top_Rank": -0.0688819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)CS(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl", "InChI_key": "FOCOFLINVBNUNP-UHFFFAOYSA-N" } }, "CID:44251605": { "type": "Drug", "properties": { "id": "CID:44251605", "label": "ly-2811376", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44251605", "FDA_Category_D_L1000_Similarity": 0.575243, "FDA_Category_D_Structural_Similarity": 0.460107, "FDA_Category_D_Weighted_Contribution": 0.682425, "FDA_Category_D_Top_Rank": -0.072522, "FDA_Category_X_L1000_Similarity": 0.0559476, "FDA_Category_X_Structural_Similarity": -0.626611, "FDA_Category_X_Weighted_Contribution": -0.640575, "FDA_Category_X_Top_Rank": -0.0871918, "FDA_Category_D_and_X_L1000_Similarity": 0.512861, "FDA_Category_D_and_X_Structural_Similarity": 0.0270766, "FDA_Category_D_and_X_Weighted_Contribution": 0.158531, "FDA_Category_D_and_X_Top_Rank": -0.0853976, "Placenta_Crossing_L1000_Similarity": 0.147758, "Placenta_Crossing_Structural_Similarity": 1.03386, "Placenta_Crossing_Weighted_Contribution": 0.980884, "Placenta_Crossing_Top_Rank": -0.0484203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F", "InChI_key": "MJQMRGWYPNIERM-HNNXBMFYSA-N" } }, "CID:442530": { "type": "Drug", "properties": { "id": "CID:442530", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID442530", "label": "ochratoxin-a", "FDA_Category_D_L1000_Similarity": -0.428952, "FDA_Category_D_Structural_Similarity": 1.72987, "FDA_Category_D_Weighted_Contribution": 1.42368, "FDA_Category_D_Top_Rank": 0.01013, "FDA_Category_X_L1000_Similarity": 0.560493, "FDA_Category_X_Structural_Similarity": 1.74978, "FDA_Category_X_Weighted_Contribution": 2.09143, "FDA_Category_X_Top_Rank": 0.0110767, "FDA_Category_D_and_X_L1000_Similarity": -0.199553, "FDA_Category_D_and_X_Structural_Similarity": 2.31719, "FDA_Category_D_and_X_Weighted_Contribution": 2.11972, "FDA_Category_D_and_X_Top_Rank": 0.0780873, "Placenta_Crossing_L1000_Similarity": 0.788, "Placenta_Crossing_Structural_Similarity": 0.244862, "Placenta_Crossing_Weighted_Contribution": 0.490289, "Placenta_Crossing_Top_Rank": -0.0766496, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl", "InChI_key": "RWQKHEORZBHNRI-BMIGLBTASA-N" } }, "CID:44287635": { "type": "Drug", "properties": { "id": "CID:44287635", "label": "6-nitronorepinephrine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44287635", "FDA_Category_D_L1000_Similarity": 0.0968701, "FDA_Category_D_Structural_Similarity": 0.623118, "FDA_Category_D_Weighted_Contribution": 0.558512, "FDA_Category_D_Top_Rank": -0.0667414, "FDA_Category_X_L1000_Similarity": 0.707903, "FDA_Category_X_Structural_Similarity": 0.00254615, "FDA_Category_X_Weighted_Contribution": 0.23175, "FDA_Category_X_Top_Rank": -0.0789865, "FDA_Category_D_and_X_L1000_Similarity": 0.298479, "FDA_Category_D_and_X_Structural_Similarity": 0.495951, "FDA_Category_D_and_X_Weighted_Contribution": 0.50527, "FDA_Category_D_and_X_Top_Rank": -0.0739999, "Placenta_Crossing_L1000_Similarity": 0.64496, "Placenta_Crossing_Structural_Similarity": 0.798718, "Placenta_Crossing_Weighted_Contribution": 0.999283, "Placenta_Crossing_Top_Rank": -0.0595382, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4431": { "type": "Drug", "properties": { "id": "CID:4431", "label": "nan-190", "lsm": "LSM-3548", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4431", "FDA_Category_D_L1000_Similarity": -0.685333, "FDA_Category_D_Structural_Similarity": 0.88552, "FDA_Category_D_Weighted_Contribution": 0.355988, "FDA_Category_D_Top_Rank": -0.0565215, "FDA_Category_X_L1000_Similarity": 0.971681, "FDA_Category_X_Structural_Similarity": -0.6083, "FDA_Category_X_Weighted_Contribution": -0.235962, "FDA_Category_X_Top_Rank": -0.0723507, "FDA_Category_D_and_X_L1000_Similarity": -0.295681, "FDA_Category_D_and_X_Structural_Similarity": 0.374613, "FDA_Category_D_and_X_Weighted_Contribution": 0.0580088, "FDA_Category_D_and_X_Top_Rank": -0.0775691, "Placenta_Crossing_L1000_Similarity": 0.00817362, "Placenta_Crossing_Structural_Similarity": -0.871109, "Placenta_Crossing_Weighted_Contribution": -0.814529, "Placenta_Crossing_Top_Rank": -0.0882894, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O", "InChI_key": "SJDOMIRMMUGQQK-UHFFFAOYSA-N" } }, "CID:443155": { "type": "Drug", "properties": { "id": "CID:443155", "label": "cinchonidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/443155", "FDA_Category_D_L1000_Similarity": -0.263278, "FDA_Category_D_Structural_Similarity": -0.879464, "FDA_Category_D_Weighted_Contribution": -0.915517, "FDA_Category_D_Top_Rank": -0.0940283, "FDA_Category_X_L1000_Similarity": 0.622825, "FDA_Category_X_Structural_Similarity": -0.689058, "FDA_Category_X_Weighted_Contribution": -0.460796, "FDA_Category_X_Top_Rank": -0.0806696, "FDA_Category_D_and_X_L1000_Similarity": -0.0378071, "FDA_Category_D_and_X_Structural_Similarity": -1.06986, "FDA_Category_D_and_X_Weighted_Contribution": -0.949087, "FDA_Category_D_and_X_Top_Rank": -0.0925211, "Placenta_Crossing_L1000_Similarity": 0.337947, "Placenta_Crossing_Structural_Similarity": -0.882738, "Placenta_Crossing_Weighted_Contribution": -0.707537, "Placenta_Crossing_Top_Rank": -0.085231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:443278": { "type": "Drug", "properties": { "id": "CID:443278", "label": "pifithrin", "lsm": "LSM-2688", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/443278", "FDA_Category_D_L1000_Similarity": -0.575071, "FDA_Category_D_Structural_Similarity": -0.803372, "FDA_Category_D_Weighted_Contribution": -0.981408, "FDA_Category_D_Top_Rank": -0.0953873, "FDA_Category_X_L1000_Similarity": -0.857136, "FDA_Category_X_Structural_Similarity": -0.761294, "FDA_Category_X_Weighted_Contribution": -1.05163, "FDA_Category_X_Top_Rank": -0.0909975, "FDA_Category_D_and_X_L1000_Similarity": -0.75601, "FDA_Category_D_and_X_Structural_Similarity": -1.04844, "FDA_Category_D_and_X_Weighted_Contribution": -1.15923, "FDA_Category_D_and_X_Top_Rank": -0.0958161, "Placenta_Crossing_L1000_Similarity": -0.558147, "Placenta_Crossing_Structural_Similarity": -0.958689, "Placenta_Crossing_Weighted_Contribution": -1.04516, "Placenta_Crossing_Top_Rank": -0.090957, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2", "InChI_key": "IMUKUMUNZJILCG-UHFFFAOYSA-N" } }, "CID:443375": { "type": "Drug", "properties": { "id": "CID:443375", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443375", "label": "devazepide", "FDA_Category_D_L1000_Similarity": -1.13703, "FDA_Category_D_Structural_Similarity": 0.206905, "FDA_Category_D_Weighted_Contribution": -0.505752, "FDA_Category_D_Top_Rank": -0.0797316, "FDA_Category_X_L1000_Similarity": -1.49087, "FDA_Category_X_Structural_Similarity": 0.0205616, "FDA_Category_X_Weighted_Contribution": -0.737251, "FDA_Category_X_Top_Rank": -0.079255, "FDA_Category_D_and_X_L1000_Similarity": -1.43289, "FDA_Category_D_and_X_Structural_Similarity": 0.175318, "FDA_Category_D_and_X_Weighted_Contribution": -0.64207, "FDA_Category_D_and_X_Top_Rank": -0.0821788, "Placenta_Crossing_L1000_Similarity": -1.99183, "Placenta_Crossing_Structural_Similarity": 0.00118939, "Placenta_Crossing_Weighted_Contribution": -0.906531, "Placenta_Crossing_Top_Rank": -0.0823344, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5", "InChI_key": "NFHRQQKPEBFUJK-HSZRJFAPSA-N" } }, "CID:443423": { "type": "Drug", "properties": { "id": "CID:443423", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443423", "label": "cromakalim", "FDA_Category_D_L1000_Similarity": 1.76666, "FDA_Category_D_Structural_Similarity": 0.225984, "FDA_Category_D_Weighted_Contribution": 1.18503, "FDA_Category_D_Top_Rank": 0.0623544, "FDA_Category_X_L1000_Similarity": 1.00932, "FDA_Category_X_Structural_Similarity": -0.434184, "FDA_Category_X_Weighted_Contribution": -0.0543118, "FDA_Category_X_Top_Rank": -0.0711203, "FDA_Category_D_and_X_L1000_Similarity": 1.8294, "FDA_Category_D_and_X_Structural_Similarity": -0.0549176, "FDA_Category_D_and_X_Weighted_Contribution": 0.825551, "FDA_Category_D_and_X_Top_Rank": 0.0387306, "Placenta_Crossing_L1000_Similarity": 1.65788, "Placenta_Crossing_Structural_Similarity": -0.34171, "Placenta_Crossing_Weighted_Contribution": 0.342403, "Placenta_Crossing_Top_Rank": -0.0213022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C", "InChI_key": "TVZCRIROJQEVOT-UHFFFAOYSA-N" } }, "CID:4436": { "type": "Drug", "properties": { "id": "CID:4436", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4436", "label": "naphazoline", "FDA_Category_D_L1000_Similarity": 0.539536, "FDA_Category_D_Structural_Similarity": -0.438622, "FDA_Category_D_Weighted_Contribution": -0.223708, "FDA_Category_D_Top_Rank": -0.084264, "FDA_Category_X_L1000_Similarity": 1.57626, "FDA_Category_X_Structural_Similarity": -0.640592, "FDA_Category_X_Weighted_Contribution": 0.0211216, "FDA_Category_X_Top_Rank": -0.0415701, "FDA_Category_D_and_X_L1000_Similarity": 0.943773, "FDA_Category_D_and_X_Structural_Similarity": -0.693801, "FDA_Category_D_and_X_Weighted_Contribution": -0.276767, "FDA_Category_D_and_X_Top_Rank": -0.0721231, "Placenta_Crossing_L1000_Similarity": 0.887921, "Placenta_Crossing_Structural_Similarity": -0.0301211, "Placenta_Crossing_Weighted_Contribution": 0.263496, "Placenta_Crossing_Top_Rank": -0.0740118, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)CC2=CC=CC3=CC=CC=C32", "InChI_key": "CNIIGCLFLJGOGP-UHFFFAOYSA-N" } }, "CID:443874": { "type": "Drug", "properties": { "id": "CID:443874", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443874", "label": "temocapril", "FDA_Category_D_L1000_Similarity": 0.937087, "FDA_Category_D_Structural_Similarity": -0.13368, "FDA_Category_D_Weighted_Contribution": 0.285984, "FDA_Category_D_Top_Rank": -0.0693331, "FDA_Category_X_L1000_Similarity": -1.79172, "FDA_Category_X_Structural_Similarity": -0.426986, "FDA_Category_X_Weighted_Contribution": -1.13063, "FDA_Category_X_Top_Rank": -0.0886627, "FDA_Category_D_and_X_L1000_Similarity": 0.263671, "FDA_Category_D_and_X_Structural_Similarity": -0.336503, "FDA_Category_D_and_X_Weighted_Contribution": -0.297048, "FDA_Category_D_and_X_Top_Rank": -0.0894593, "Placenta_Crossing_L1000_Similarity": -0.021778, "Placenta_Crossing_Structural_Similarity": -0.530087, "Placenta_Crossing_Weighted_Contribution": -0.582929, "Placenta_Crossing_Top_Rank": -0.0885113, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3", "InChI_key": "FIQOFIRCTOWDOW-BJLQDIEVSA-N" } }, "CID:443879": { "type": "Drug", "properties": { "id": "CID:443879", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443879", "label": "tolterodine", "FDA_Category_D_L1000_Similarity": -0.379503, "FDA_Category_D_Structural_Similarity": -0.665723, "FDA_Category_D_Weighted_Contribution": -0.820351, "FDA_Category_D_Top_Rank": -0.0946181, "FDA_Category_X_L1000_Similarity": 0.355089, "FDA_Category_X_Structural_Similarity": -0.648211, "FDA_Category_X_Weighted_Contribution": -0.538206, "FDA_Category_X_Top_Rank": -0.0843315, "FDA_Category_D_and_X_L1000_Similarity": -0.219309, "FDA_Category_D_and_X_Structural_Similarity": -0.878165, "FDA_Category_D_and_X_Weighted_Contribution": -0.893999, "FDA_Category_D_and_X_Top_Rank": -0.0937626, "Placenta_Crossing_L1000_Similarity": 0.0421453, "Placenta_Crossing_Structural_Similarity": -0.601602, "Placenta_Crossing_Weighted_Contribution": -0.61226, "Placenta_Crossing_Top_Rank": -0.088022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2", "InChI_key": "OOGJQPCLVADCPB-HXUWFJFHSA-N" } }, "CID:444025": { "type": "Drug", "properties": { "id": "CID:444025", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID444025", "label": "loteprednol etabonate", "FDA_Category_D_L1000_Similarity": -0.809285, "FDA_Category_D_Structural_Similarity": 1.48045, "FDA_Category_D_Weighted_Contribution": 0.907918, "FDA_Category_D_Top_Rank": -0.0189327, "FDA_Category_X_L1000_Similarity": 0.0414153, "FDA_Category_X_Structural_Similarity": 0.981732, "FDA_Category_X_Weighted_Contribution": 0.934407, "FDA_Category_X_Top_Rank": -0.0420933, "FDA_Category_D_and_X_L1000_Similarity": -0.685038, "FDA_Category_D_and_X_Structural_Similarity": 1.70479, "FDA_Category_D_and_X_Weighted_Contribution": 1.1992, "FDA_Category_D_and_X_Top_Rank": 0.00468364, "Placenta_Crossing_L1000_Similarity": -0.437841, "Placenta_Crossing_Structural_Similarity": 0.0837041, "Placenta_Crossing_Weighted_Contribution": -0.256541, "Placenta_Crossing_Top_Rank": -0.0804319, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)OCCl", "InChI_key": "DMKSVUSAATWOCU-HROMYWEYSA-N" } }, "CID:444029": { "type": "Drug", "properties": { "id": "CID:444029", "label": "colforsin-daproate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/444029", "FDA_Category_D_L1000_Similarity": -1.2364, "FDA_Category_D_Structural_Similarity": -0.30554, "FDA_Category_D_Weighted_Contribution": -0.912932, "FDA_Category_D_Top_Rank": -0.0914838, "FDA_Category_X_L1000_Similarity": 0.953618, "FDA_Category_X_Structural_Similarity": -0.33577, "FDA_Category_X_Weighted_Contribution": 0.0144726, "FDA_Category_X_Top_Rank": -0.0728375, "FDA_Category_D_and_X_L1000_Similarity": -0.776199, "FDA_Category_D_and_X_Structural_Similarity": -0.423691, "FDA_Category_D_and_X_Weighted_Contribution": -0.802409, "FDA_Category_D_and_X_Top_Rank": -0.0932061, "Placenta_Crossing_L1000_Similarity": 0.00892603, "Placenta_Crossing_Structural_Similarity": -0.169212, "Placenta_Crossing_Weighted_Contribution": -0.279146, "Placenta_Crossing_Top_Rank": -0.0854887, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4445621": { "type": "Drug", "properties": { "id": "CID:4445621", "label": "rhodomyrtoxin", "lsm": "LSM-2289", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4445621", "FDA_Category_D_L1000_Similarity": -1.29778, "FDA_Category_D_Structural_Similarity": 1.51444, "FDA_Category_D_Weighted_Contribution": 0.637278, "FDA_Category_D_Top_Rank": -0.0162577, "FDA_Category_X_L1000_Similarity": -0.627651, "FDA_Category_X_Structural_Similarity": 0.856912, "FDA_Category_X_Weighted_Contribution": 0.427398, "FDA_Category_X_Top_Rank": -0.0473619, "FDA_Category_D_and_X_L1000_Similarity": -1.30931, "FDA_Category_D_and_X_Structural_Similarity": 1.66442, "FDA_Category_D_and_X_Weighted_Contribution": 0.783179, "FDA_Category_D_and_X_Top_Rank": 0.000413395, "Placenta_Crossing_L1000_Similarity": -2.00484, "Placenta_Crossing_Structural_Similarity": 2.89304, "Placenta_Crossing_Weighted_Contribution": 1.8032, "Placenta_Crossing_Top_Rank": 0.171066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(C(=C1O)C(=O)CC(C)C)OC3=C2C(=C(C(=C3C(=O)CC(C)C)O)C)O)O", "InChI_key": "DEUFHKWBUJBCRS-UHFFFAOYSA-N" } }, "CID:44462705": { "type": "Drug", "properties": { "id": "CID:44462705", "label": "ku-c103654", "lsm": "LSM-1883", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44462705", "FDA_Category_D_L1000_Similarity": 0.9279, "FDA_Category_D_Structural_Similarity": 0.0573793, "FDA_Category_D_Weighted_Contribution": 0.475898, "FDA_Category_D_Top_Rank": -0.0697651, "FDA_Category_X_L1000_Similarity": 1.48104, "FDA_Category_X_Structural_Similarity": -0.681291, "FDA_Category_X_Weighted_Contribution": -0.0649838, "FDA_Category_X_Top_Rank": -0.048335, "FDA_Category_D_and_X_L1000_Similarity": 1.24963, "FDA_Category_D_and_X_Structural_Similarity": -0.322079, "FDA_Category_D_and_X_Weighted_Contribution": 0.220368, "FDA_Category_D_and_X_Top_Rank": -0.0515468, "Placenta_Crossing_L1000_Similarity": 0.928579, "Placenta_Crossing_Structural_Similarity": -0.092289, "Placenta_Crossing_Weighted_Contribution": 0.222483, "Placenta_Crossing_Top_Rank": -0.0727726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2=O)C3=CC(=CC=C3)F", "InChI_key": "ZPSKJWCPAZKGQG-UHFFFAOYSA-N" } }, "CID:44483253": { "type": "Drug", "properties": { "id": "CID:44483253", "label": "cyclopiazonic-acid", "lsm": "LSM-1306", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483253", "FDA_Category_D_L1000_Similarity": -0.966864, "FDA_Category_D_Structural_Similarity": -0.914941, "FDA_Category_D_Weighted_Contribution": -1.17221, "FDA_Category_D_Top_Rank": -0.0962463, "FDA_Category_X_L1000_Similarity": -0.187298, "FDA_Category_X_Structural_Similarity": -0.539248, "FDA_Category_X_Weighted_Contribution": -0.667221, "FDA_Category_X_Top_Rank": -0.0887198, "FDA_Category_D_and_X_L1000_Similarity": -0.890336, "FDA_Category_D_and_X_Structural_Similarity": -1.01718, "FDA_Category_D_and_X_Weighted_Contribution": -1.18116, "FDA_Category_D_and_X_Top_Rank": -0.0960638, "Placenta_Crossing_L1000_Similarity": -1.38333, "Placenta_Crossing_Structural_Similarity": -0.946953, "Placenta_Crossing_Weighted_Contribution": -1.25443, "Placenta_Crossing_Top_Rank": -0.0921448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1C(=O)C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C", "InChI_key": "TZCOBUQKVNFIQF-ARUUDZKJSA-N" } }, "CID:44483265": { "type": "Drug", "properties": { "id": "CID:44483265", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44483265", "label": "solanine", "FDA_Category_D_L1000_Similarity": 0.528385, "FDA_Category_D_Structural_Similarity": -0.239987, "FDA_Category_D_Weighted_Contribution": -0.0493321, "FDA_Category_D_Top_Rank": -0.0845839, "FDA_Category_X_L1000_Similarity": 1.51892, "FDA_Category_X_Structural_Similarity": 0.0746263, "FDA_Category_X_Weighted_Contribution": 0.746267, "FDA_Category_X_Top_Rank": -0.0457532, "FDA_Category_D_and_X_L1000_Similarity": 0.916749, "FDA_Category_D_and_X_Structural_Similarity": -0.150213, "FDA_Category_D_and_X_Weighted_Contribution": 0.206025, "FDA_Category_D_and_X_Top_Rank": -0.073308, "Placenta_Crossing_L1000_Similarity": 0.447908, "Placenta_Crossing_Structural_Similarity": -0.275167, "Placenta_Crossing_Weighted_Contribution": -0.177334, "Placenta_Crossing_Top_Rank": -0.0838092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C", "InChI_key": "ZGVSETXHNHBTRK-NILDQRQJSA-N" } }, "CID:44483268": { "type": "Drug", "properties": { "id": "CID:44483268", "label": "hydroquinine", "lsm": "LSM-1805", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483268", "FDA_Category_D_L1000_Similarity": 0.362008, "FDA_Category_D_Structural_Similarity": -0.512796, "FDA_Category_D_Weighted_Contribution": -0.376919, "FDA_Category_D_Top_Rank": -0.0878104, "FDA_Category_X_L1000_Similarity": -1.17162, "FDA_Category_X_Structural_Similarity": -0.52422, "FDA_Category_X_Weighted_Contribution": -1.00208, "FDA_Category_X_Top_Rank": -0.0901515, "FDA_Category_D_and_X_L1000_Similarity": -0.0437415, "FDA_Category_D_and_X_Structural_Similarity": -0.68988, "FDA_Category_D_and_X_Weighted_Contribution": -0.703839, "FDA_Category_D_and_X_Top_Rank": -0.0925653, "Placenta_Crossing_L1000_Similarity": 0.0922025, "Placenta_Crossing_Structural_Similarity": -0.738453, "Placenta_Crossing_Weighted_Contribution": -0.69358, "Placenta_Crossing_Top_Rank": -0.0876185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O", "InChI_key": "LJOQGZACKSYWCH-OOXNXYBBSA-N" } }, "CID:44483269": { "type": "Drug", "properties": { "id": "CID:44483269", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44483269", "label": "Atovaquone", "FDA_Category_D_L1000_Similarity": 0.63888, "FDA_Category_D_Structural_Similarity": 0.353177, "FDA_Category_D_Weighted_Contribution": 0.608504, "FDA_Category_D_Top_Rank": -0.0756035, "FDA_Category_X_L1000_Similarity": 1.00016, "FDA_Category_X_Structural_Similarity": 0.133668, "FDA_Category_X_Weighted_Contribution": 0.525769, "FDA_Category_X_Top_Rank": -0.0713574, "FDA_Category_D_and_X_L1000_Similarity": 0.854457, "FDA_Category_D_and_X_Structural_Similarity": 0.352448, "FDA_Category_D_and_X_Weighted_Contribution": 0.679219, "FDA_Category_D_and_X_Top_Rank": -0.0758756, "Placenta_Crossing_L1000_Similarity": -0.0769946, "Placenta_Crossing_Structural_Similarity": 0.344158, "Placenta_Crossing_Weighted_Contribution": 0.150576, "Placenta_Crossing_Top_Rank": -0.073979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44483281": { "type": "Drug", "properties": { "id": "CID:44483281", "label": "gw-4064", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483281", "FDA_Category_D_L1000_Similarity": 0.578329, "FDA_Category_D_Structural_Similarity": -0.773135, "FDA_Category_D_Weighted_Contribution": -0.486282, "FDA_Category_D_Top_Rank": -0.0832274, "FDA_Category_X_L1000_Similarity": 0.725513, "FDA_Category_X_Structural_Similarity": -0.647368, "FDA_Category_X_Weighted_Contribution": -0.380952, "FDA_Category_X_Top_Rank": -0.078607, "FDA_Category_D_and_X_L1000_Similarity": 0.718858, "FDA_Category_D_and_X_Structural_Similarity": -0.962965, "FDA_Category_D_and_X_Weighted_Contribution": -0.59213, "FDA_Category_D_and_X_Top_Rank": -0.0806839, "Placenta_Crossing_L1000_Similarity": 0.0391732, "Placenta_Crossing_Structural_Similarity": -0.841401, "Placenta_Crossing_Weighted_Contribution": -0.783991, "Placenta_Crossing_Top_Rank": -0.0880513, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC(=C(C=C3)C=CC4=CC(=CC=C4)C(=O)O)Cl", "InChI_key": "BYTNEISLBIENSA-UHFFFAOYSA-N" } }, "CID:44483287": { "type": "Drug", "properties": { "id": "CID:44483287", "label": "tc-2559", "lsm": "LSM-3500", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483287", "FDA_Category_D_L1000_Similarity": -0.195564, "FDA_Category_D_Structural_Similarity": -0.92311, "FDA_Category_D_Weighted_Contribution": -0.918044, "FDA_Category_D_Top_Rank": -0.0936573, "FDA_Category_X_L1000_Similarity": -0.352599, "FDA_Category_X_Structural_Similarity": -0.69685, "FDA_Category_X_Weighted_Contribution": -0.843973, "FDA_Category_X_Top_Rank": -0.0895069, "FDA_Category_D_and_X_L1000_Similarity": -0.275658, "FDA_Category_D_and_X_Structural_Similarity": -1.1087, "FDA_Category_D_and_X_Weighted_Contribution": -1.0486, "FDA_Category_D_and_X_Top_Rank": -0.0940756, "Placenta_Crossing_L1000_Similarity": 0.666318, "Placenta_Crossing_Structural_Similarity": 0.0384761, "Placenta_Crossing_Weighted_Contribution": 0.22024, "Placenta_Crossing_Top_Rank": -0.0796929, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CN=CC(=C1)C=CCCNC", "InChI_key": "HFZDMKMXPGRKCK-UHFFFAOYSA-N" } }, "CID:44483340": { "type": "Drug", "properties": { "id": "CID:44483340", "label": "gw-6471", "lsm": "LSM-1765", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483340", "FDA_Category_D_L1000_Similarity": -1.05927, "FDA_Category_D_Structural_Similarity": 0.789037, "FDA_Category_D_Weighted_Contribution": 0.0443248, "FDA_Category_D_Top_Rank": -0.0610013, "FDA_Category_X_L1000_Similarity": -0.246235, "FDA_Category_X_Structural_Similarity": -0.0630217, "FDA_Category_X_Weighted_Contribution": -0.294177, "FDA_Category_X_Top_Rank": -0.0812456, "FDA_Category_D_and_X_L1000_Similarity": -0.987886, "FDA_Category_D_and_X_Structural_Similarity": 0.592263, "FDA_Category_D_and_X_Weighted_Contribution": -0.0988035, "FDA_Category_D_and_X_Top_Rank": -0.071144, "Placenta_Crossing_L1000_Similarity": -0.86118, "Placenta_Crossing_Structural_Similarity": 1.27148, "Placenta_Crossing_Weighted_Contribution": 0.688344, "Placenta_Crossing_Top_Rank": -0.0349212, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)NCC(CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)NC(=CC(=O)C4=CC=C(C=C4)C(F)(F)F)C", "InChI_key": "UEPVEQWUZJXOKB-UHFFFAOYSA-N" } }, "CID:44484569": { "type": "Drug", "properties": { "id": "CID:44484569", "label": "sa-423167", "lsm": "LSM-6562", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484569", "FDA_Category_D_L1000_Similarity": 1.14269, "FDA_Category_X_L1000_Similarity": -0.544923, "FDA_Category_D_and_X_L1000_Similarity": 0.819538, "Placenta_Crossing_L1000_Similarity": 1.20227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "GEPQSEIVCGMSGO-UWWLJTJFSA-N" } }, "CID:44489582": { "type": "Drug", "properties": { "id": "CID:44489582", "label": "SA-89210", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489582", "FDA_Category_D_L1000_Similarity": 0.901421, "FDA_Category_X_L1000_Similarity": 0.87197, "FDA_Category_D_and_X_L1000_Similarity": 1.04185, "Placenta_Crossing_L1000_Similarity": 0.272745, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44489675": { "type": "Drug", "properties": { "id": "CID:44489675", "label": "emf-bca1-57", "lsm": "LSM-3441", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489675", "FDA_Category_D_L1000_Similarity": 0.0259925, "FDA_Category_X_L1000_Similarity": 0.107015, "FDA_Category_D_and_X_L1000_Similarity": 0.0549073, "Placenta_Crossing_L1000_Similarity": 0.555686, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)S(=O)(=O)C5=CC=C(C=C5)OC)C(C)CO", "InChI_key": "FXIXTIXYCSOXIT-UDKTZTBJSA-N" } }, "CID:44492462": { "type": "Drug", "properties": { "id": "CID:44492462", "label": "emf-bca1-60", "lsm": "LSM-3532", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44492462", "FDA_Category_D_L1000_Similarity": 0.752897, "FDA_Category_D_Structural_Similarity": -0.747101, "FDA_Category_D_Weighted_Contribution": -0.381437, "FDA_Category_D_Top_Rank": -0.0777004, "FDA_Category_X_L1000_Similarity": -1.1751, "FDA_Category_X_Structural_Similarity": 0.277273, "FDA_Category_X_Weighted_Contribution": -0.403881, "FDA_Category_X_Top_Rank": -0.0706536, "FDA_Category_D_and_X_L1000_Similarity": 0.29215, "FDA_Category_D_and_X_Structural_Similarity": -0.443369, "FDA_Category_D_and_X_Weighted_Contribution": -0.372687, "FDA_Category_D_and_X_Top_Rank": -0.0890658, "Placenta_Crossing_L1000_Similarity": 0.597107, "Placenta_Crossing_Structural_Similarity": -0.83759, "Placenta_Crossing_Weighted_Contribution": -0.57804, "Placenta_Crossing_Top_Rank": -0.0810375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)S(=O)(=O)C5=CC=C(C=C5)Cl)C(C)CO", "InChI_key": "NPOUMSIYVDQJDX-DGIFUFQNSA-N" } }, "CID:44493137": { "type": "Drug", "properties": { "id": "CID:44493137", "label": "sd-8-005", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44493137", "FDA_Category_D_L1000_Similarity": 0.772732, "FDA_Category_X_L1000_Similarity": 0.644283, "FDA_Category_D_and_X_L1000_Similarity": 0.861758, "Placenta_Crossing_L1000_Similarity": 1.09724, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)C(C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3", "InChI_key": "XJDNFUDAKLJUOC-ZQPSKXNCSA-N" } }, "CID:44498186": { "type": "Drug", "properties": { "id": "CID:44498186", "label": "sd-6-035-b1", "lsm": "LSM-6787", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44498186", "FDA_Category_D_L1000_Similarity": -0.757729, "FDA_Category_X_L1000_Similarity": -0.429727, "FDA_Category_D_and_X_L1000_Similarity": -0.783671, "Placenta_Crossing_L1000_Similarity": -0.983241, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-UMLQYNHOSA-N" } }, "CID:44505047": { "type": "Drug", "properties": { "id": "CID:44505047", "label": "SA-419083", "lsm": "LSM-7432", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505047", "FDA_Category_D_L1000_Similarity": 1.90106, "FDA_Category_X_L1000_Similarity": 0.285605, "FDA_Category_D_and_X_L1000_Similarity": 1.72548, "Placenta_Crossing_L1000_Similarity": 1.44378, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44507272": { "type": "Drug", "properties": { "id": "CID:44507272", "label": "K1448", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507272", "FDA_Category_D_L1000_Similarity": -0.0314128, "FDA_Category_D_Structural_Similarity": -0.372496, "FDA_Category_D_Weighted_Contribution": -0.45116, "FDA_Category_D_Top_Rank": -0.0924561, "FDA_Category_X_L1000_Similarity": -0.683842, "FDA_Category_X_Structural_Similarity": -0.288231, "FDA_Category_X_Weighted_Contribution": -0.66526, "FDA_Category_X_Top_Rank": -0.0862945, "FDA_Category_D_and_X_L1000_Similarity": -0.234741, "FDA_Category_D_and_X_Structural_Similarity": -0.451184, "FDA_Category_D_and_X_Weighted_Contribution": -0.609018, "FDA_Category_D_and_X_Top_Rank": -0.0935115, "Placenta_Crossing_L1000_Similarity": -0.613602, "Placenta_Crossing_Structural_Similarity": -0.277388, "Placenta_Crossing_Weighted_Contribution": -0.618547, "Placenta_Crossing_Top_Rank": -0.0871362, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44507291": { "type": "Drug", "properties": { "id": "CID:44507291", "label": "sa-247615", "lsm": "LSM-6811", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507291", "FDA_Category_D_L1000_Similarity": -0.0293057, "FDA_Category_X_L1000_Similarity": 0.563062, "FDA_Category_D_and_X_L1000_Similarity": 0.145725, "Placenta_Crossing_L1000_Similarity": -0.449901, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)OC1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C(C)CO", "InChI_key": "ZBLCOVKAEUNWGN-CEFNRUSXSA-N" } }, "CID:44510971": { "type": "Drug", "properties": { "id": "CID:44510971", "label": "brucine", "lsm": "LSM-1539", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44510971", "FDA_Category_D_L1000_Similarity": 1.56074, "FDA_Category_D_Structural_Similarity": 0.392198, "FDA_Category_D_Weighted_Contribution": 1.23499, "FDA_Category_D_Top_Rank": 0.00501086, "FDA_Category_X_L1000_Similarity": 0.828437, "FDA_Category_X_Structural_Similarity": 2.32912, "FDA_Category_X_Weighted_Contribution": 2.80877, "FDA_Category_X_Top_Rank": 0.081482, "FDA_Category_D_and_X_L1000_Similarity": 1.59696, "FDA_Category_D_and_X_Structural_Similarity": 1.56808, "FDA_Category_D_and_X_Weighted_Contribution": 2.36638, "FDA_Category_D_and_X_Top_Rank": -0.00686495, "Placenta_Crossing_L1000_Similarity": 1.96426, "Placenta_Crossing_Structural_Similarity": 0.624814, "Placenta_Crossing_Weighted_Contribution": 1.53359, "Placenta_Crossing_Top_Rank": 0.0353721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC", "InChI_key": "RRKTZKIUPZVBMF-SXDMTWIASA-N" } }, "CID:44543525": { "type": "Drug", "properties": { "id": "CID:44543525", "label": "ku-c103871", "lsm": "LSM-3133", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44543525", "FDA_Category_D_L1000_Similarity": -0.310763, "FDA_Category_D_Structural_Similarity": -0.378078, "FDA_Category_D_Weighted_Contribution": -0.584544, "FDA_Category_D_Top_Rank": -0.0926298, "FDA_Category_X_L1000_Similarity": -1.00751, "FDA_Category_X_Structural_Similarity": -0.459439, "FDA_Category_X_Weighted_Contribution": -0.906065, "FDA_Category_X_Top_Rank": -0.0892036, "FDA_Category_D_and_X_L1000_Similarity": -0.573848, "FDA_Category_D_and_X_Structural_Similarity": -0.547997, "FDA_Category_D_and_X_Weighted_Contribution": -0.809602, "FDA_Category_D_and_X_Top_Rank": -0.0943866, "Placenta_Crossing_L1000_Similarity": -0.717525, "Placenta_Crossing_Structural_Similarity": -0.445299, "Placenta_Crossing_Weighted_Contribution": -0.775679, "Placenta_Crossing_Top_Rank": -0.0891841, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)N2C(=O)C3=C(S2)C=CC(=C3)F)Cl", "InChI_key": "LULUFYSNKNUYNX-UHFFFAOYSA-N" } }, "CID:44577753": { "type": "Drug", "properties": { "id": "CID:44577753", "label": "ML-347", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44577753", "FDA_Category_D_L1000_Similarity": -0.335788, "FDA_Category_X_L1000_Similarity": -0.975654, "FDA_Category_D_and_X_L1000_Similarity": -0.585745, "Placenta_Crossing_L1000_Similarity": 0.324689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44591583": { "type": "Drug", "properties": { "id": "CID:44591583", "label": "crisaborole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44591583", "FDA_Category_D_L1000_Similarity": -0.362879, "FDA_Category_D_Structural_Similarity": 2.00211, "FDA_Category_D_Weighted_Contribution": 1.75963, "FDA_Category_D_Top_Rank": 0.0471921, "FDA_Category_X_L1000_Similarity": 1.23549, "FDA_Category_X_Structural_Similarity": 2.13324, "FDA_Category_X_Weighted_Contribution": 2.81593, "FDA_Category_X_Top_Rank": 0.0564316, "FDA_Category_D_and_X_L1000_Similarity": 0.0623905, "FDA_Category_D_and_X_Structural_Similarity": 2.74019, "FDA_Category_D_and_X_Weighted_Contribution": 2.64449, "FDA_Category_D_and_X_Top_Rank": 0.14445, "Placenta_Crossing_L1000_Similarity": 0.0482183, "Placenta_Crossing_Structural_Similarity": 1.00003, "Placenta_Crossing_Weighted_Contribution": 0.890306, "Placenta_Crossing_Top_Rank": -0.050066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O", "InChI_key": "USZAGAREISWJDP-UHFFFAOYSA-N" } }, "CID:44601473": { "type": "Drug", "properties": { "id": "CID:44601473", "label": "kuc103898n", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44601473", "FDA_Category_D_L1000_Similarity": -0.00700498, "FDA_Category_D_Structural_Similarity": -0.407123, "FDA_Category_D_Weighted_Contribution": -0.467611, "FDA_Category_D_Top_Rank": -0.0922228, "FDA_Category_X_L1000_Similarity": 0.986858, "FDA_Category_X_Structural_Similarity": -0.499057, "FDA_Category_X_Weighted_Contribution": -0.12713, "FDA_Category_X_Top_Rank": -0.0717562, "FDA_Category_D_and_X_L1000_Similarity": 0.293667, "FDA_Category_D_and_X_Structural_Similarity": -0.592428, "FDA_Category_D_and_X_Weighted_Contribution": -0.49132, "FDA_Category_D_and_X_Top_Rank": -0.0890283, "Placenta_Crossing_L1000_Similarity": 0.0207766, "Placenta_Crossing_Structural_Similarity": 0.677533, "Placenta_Crossing_Weighted_Contribution": 0.535163, "Placenta_Crossing_Top_Rank": -0.063771, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CS3)C4=CC=CC=N4", "InChI_key": "MOYWWOZMMWATFP-UHFFFAOYSA-N" } }, "CID:44602376": { "type": "Drug", "properties": { "id": "CID:44602376", "label": "ku-c104127", "lsm": "LSM-2322", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602376", "FDA_Category_D_L1000_Similarity": -0.283931, "FDA_Category_D_Structural_Similarity": 2.21803, "FDA_Category_D_Weighted_Contribution": 2.03455, "FDA_Category_D_Top_Rank": 0.0863854, "FDA_Category_X_L1000_Similarity": 0.0841408, "FDA_Category_X_Structural_Similarity": -0.47037, "FDA_Category_X_Weighted_Contribution": -0.503391, "FDA_Category_X_Top_Rank": -0.0869622, "FDA_Category_D_and_X_L1000_Similarity": -0.219206, "FDA_Category_D_and_X_Structural_Similarity": 1.50667, "FDA_Category_D_and_X_Weighted_Contribution": 1.2667, "FDA_Category_D_and_X_Top_Rank": -0.0140224, "Placenta_Crossing_L1000_Similarity": 0.315907, "Placenta_Crossing_Structural_Similarity": -0.539378, "Placenta_Crossing_Weighted_Contribution": -0.456875, "Placenta_Crossing_Top_Rank": -0.0854521, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)CC(=O)NC3=CC=C(C=C3)Br", "InChI_key": "CKRADAOJYXHLJA-UHFFFAOYSA-N" } }, "CID:44602405": { "type": "Drug", "properties": { "id": "CID:44602405", "label": "ku-c104132", "lsm": "LSM-3848", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602405", "FDA_Category_D_L1000_Similarity": 0.24903, "FDA_Category_D_Structural_Similarity": -0.783789, "FDA_Category_D_Weighted_Contribution": -0.643293, "FDA_Category_D_Top_Rank": -0.0895338, "FDA_Category_X_L1000_Similarity": -0.661463, "FDA_Category_X_Structural_Similarity": -0.475945, "FDA_Category_X_Weighted_Contribution": -0.796855, "FDA_Category_X_Top_Rank": -0.0894605, "FDA_Category_D_and_X_L1000_Similarity": 0.0137931, "FDA_Category_D_and_X_Structural_Similarity": -0.878922, "FDA_Category_D_and_X_Weighted_Contribution": -0.810599, "FDA_Category_D_and_X_Top_Rank": -0.092077, "Placenta_Crossing_L1000_Similarity": 0.175855, "Placenta_Crossing_Structural_Similarity": -0.861527, "Placenta_Crossing_Weighted_Contribution": -0.750273, "Placenta_Crossing_Top_Rank": -0.0868272, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC=CC=C5", "InChI_key": "UHMDMXNBUGGPTH-UHFFFAOYSA-N" } }, "CID:44602406": { "type": "Drug", "properties": { "id": "CID:44602406", "label": "ku-c104131", "lsm": "LSM-2184", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602406", "FDA_Category_D_L1000_Similarity": 0.0300455, "FDA_Category_D_Structural_Similarity": -0.837441, "FDA_Category_D_Weighted_Contribution": -0.773843, "FDA_Category_D_Top_Rank": -0.0919292, "FDA_Category_X_L1000_Similarity": 0.387331, "FDA_Category_X_Structural_Similarity": -0.503993, "FDA_Category_X_Weighted_Contribution": -0.403376, "FDA_Category_X_Top_Rank": -0.0839255, "FDA_Category_D_and_X_L1000_Similarity": 0.14352, "FDA_Category_D_and_X_Structural_Similarity": -0.936641, "FDA_Category_D_and_X_Weighted_Contribution": -0.800674, "FDA_Category_D_and_X_Top_Rank": -0.0908859, "Placenta_Crossing_L1000_Similarity": 0.07085, "Placenta_Crossing_Structural_Similarity": -0.88704, "Placenta_Crossing_Weighted_Contribution": -0.803929, "Placenta_Crossing_Top_Rank": -0.0877894, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=COC=C6", "InChI_key": "LXXDDDFWVCVQAU-UHFFFAOYSA-N" } }, "CID:44603533": { "type": "Drug", "properties": { "id": "CID:44603533", "label": "merestinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44603533", "FDA_Category_D_L1000_Similarity": -0.254945, "FDA_Category_D_Structural_Similarity": 1.48583, "FDA_Category_D_Weighted_Contribution": 1.26828, "FDA_Category_D_Top_Rank": -0.0181854, "FDA_Category_X_L1000_Similarity": -0.0135459, "FDA_Category_X_Structural_Similarity": -0.52131, "FDA_Category_X_Weighted_Contribution": -0.584802, "FDA_Category_X_Top_Rank": -0.0876918, "FDA_Category_D_and_X_L1000_Similarity": -0.223884, "FDA_Category_D_and_X_Structural_Similarity": 0.898028, "FDA_Category_D_and_X_Weighted_Contribution": 0.617886, "FDA_Category_D_and_X_Top_Rank": -0.05822, "Placenta_Crossing_L1000_Similarity": 0.911461, "Placenta_Crossing_Structural_Similarity": -0.689409, "Placenta_Crossing_Weighted_Contribution": -0.332067, "Placenta_Crossing_Top_Rank": -0.0733386, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F", "InChI_key": "QHADVLVFMKEIIP-UHFFFAOYSA-N" } }, "CID:44607586": { "type": "Drug", "properties": { "id": "CID:44607586", "label": "ku-c104135", "lsm": "LSM-3448", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607586", "FDA_Category_D_L1000_Similarity": 0.756896, "FDA_Category_D_Structural_Similarity": -0.818929, "FDA_Category_D_Weighted_Contribution": -0.438797, "FDA_Category_D_Top_Rank": -0.0775759, "FDA_Category_X_L1000_Similarity": -0.728828, "FDA_Category_X_Structural_Similarity": -0.492004, "FDA_Category_X_Weighted_Contribution": -0.832318, "FDA_Category_X_Top_Rank": -0.089675, "FDA_Category_D_and_X_L1000_Similarity": 0.431122, "FDA_Category_D_and_X_Structural_Similarity": -0.915478, "FDA_Category_D_and_X_Weighted_Contribution": -0.675102, "FDA_Category_D_and_X_Top_Rank": -0.0869954, "Placenta_Crossing_L1000_Similarity": -0.314033, "Placenta_Crossing_Structural_Similarity": -0.530481, "Placenta_Crossing_Weighted_Contribution": -0.692233, "Placenta_Crossing_Top_Rank": -0.0899492, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=COC=C4)C5=CC=CC=C5", "InChI_key": "MEAOCLDEHXULLL-UHFFFAOYSA-N" } }, "CID:44618204": { "type": "Drug", "properties": { "id": "CID:44618204", "label": "sd-6-035-a7", "lsm": "LSM-6807", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44618204", "FDA_Category_D_L1000_Similarity": 0.944226, "FDA_Category_D_Structural_Similarity": -0.119791, "FDA_Category_D_Weighted_Contribution": 0.304194, "FDA_Category_D_Top_Rank": -0.0689305, "FDA_Category_X_L1000_Similarity": -0.546076, "FDA_Category_X_Structural_Similarity": 0.493118, "FDA_Category_X_Weighted_Contribution": 0.092372, "FDA_Category_X_Top_Rank": -0.0622852, "FDA_Category_D_and_X_L1000_Similarity": 0.648096, "FDA_Category_D_and_X_Structural_Similarity": 0.171005, "FDA_Category_D_and_X_Weighted_Contribution": 0.374577, "FDA_Category_D_and_X_Top_Rank": -0.0822694, "Placenta_Crossing_L1000_Similarity": 0.460667, "Placenta_Crossing_Structural_Similarity": -0.262804, "Placenta_Crossing_Weighted_Contribution": -0.160585, "Placenta_Crossing_Top_Rank": -0.0835598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-QJWQVSSASA-N" } }, "CID:44623833": { "type": "Drug", "properties": { "id": "CID:44623833", "label": "ku-c104218", "lsm": "LSM-3953", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623833", "FDA_Category_D_L1000_Similarity": -0.193177, "FDA_Category_D_Structural_Similarity": 0.114521, "FDA_Category_D_Weighted_Contribution": -0.112129, "FDA_Category_D_Top_Rank": -0.0821549, "FDA_Category_X_L1000_Similarity": 0.105172, "FDA_Category_X_Structural_Similarity": -0.752315, "FDA_Category_X_Weighted_Contribution": -0.717976, "FDA_Category_X_Top_Rank": -0.0868037, "FDA_Category_D_and_X_L1000_Similarity": -0.134575, "FDA_Category_D_and_X_Structural_Similarity": -0.31505, "FDA_Category_D_and_X_Weighted_Contribution": -0.462002, "FDA_Category_D_and_X_Top_Rank": -0.0919014, "Placenta_Crossing_L1000_Similarity": -0.596179, "Placenta_Crossing_Structural_Similarity": -0.230221, "Placenta_Crossing_Weighted_Contribution": -0.57652, "Placenta_Crossing_Top_Rank": -0.0864058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC2=C(C=C1)C(=O)N(S2)C3=CC=CC=C3", "InChI_key": "MUZGWPOHOQOQKK-UHFFFAOYSA-N" } }, "CID:44623834": { "type": "Drug", "properties": { "id": "CID:44623834", "label": "ku-c104219", "lsm": "LSM-3250", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623834", "FDA_Category_D_L1000_Similarity": -0.429791, "FDA_Category_D_Structural_Similarity": 2.21136, "FDA_Category_D_Weighted_Contribution": 1.93912, "FDA_Category_D_Top_Rank": 0.0833088, "FDA_Category_X_L1000_Similarity": -0.0305199, "FDA_Category_X_Structural_Similarity": -0.493009, "FDA_Category_X_Weighted_Contribution": -0.568878, "FDA_Category_X_Top_Rank": -0.0877862, "FDA_Category_D_and_X_L1000_Similarity": -0.379755, "FDA_Category_D_and_X_Structural_Similarity": 1.48916, "FDA_Category_D_and_X_Weighted_Contribution": 1.15153, "FDA_Category_D_and_X_Top_Rank": -0.0163084, "Placenta_Crossing_L1000_Similarity": 0.220425, "Placenta_Crossing_Structural_Similarity": -0.548491, "Placenta_Crossing_Weighted_Contribution": -0.502474, "Placenta_Crossing_Top_Rank": -0.0864411, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2", "InChI_key": "PDBRKKNXTWJBKP-UHFFFAOYSA-N" } }, "CID:44623837": { "type": "Drug", "properties": { "id": "CID:44623837", "label": "ku-c104223", "lsm": "LSM-3409", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623837", "FDA_Category_D_L1000_Similarity": 0.734267, "FDA_Category_D_Structural_Similarity": 2.21803, "FDA_Category_D_Weighted_Contribution": 2.61241, "FDA_Category_D_Top_Rank": 0.0863854, "FDA_Category_X_L1000_Similarity": 1.59218, "FDA_Category_X_Structural_Similarity": -0.47037, "FDA_Category_X_Weighted_Contribution": 0.200426, "FDA_Category_X_Top_Rank": -0.0403716, "FDA_Category_D_and_X_L1000_Similarity": 1.11646, "FDA_Category_D_and_X_Structural_Similarity": 1.50667, "FDA_Category_D_and_X_Weighted_Contribution": 2.04772, "FDA_Category_D_and_X_Top_Rank": -0.0140224, "Placenta_Crossing_L1000_Similarity": 0.160087, "Placenta_Crossing_Structural_Similarity": -0.539378, "Placenta_Crossing_Weighted_Contribution": -0.519274, "Placenta_Crossing_Top_Rank": -0.0869862, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)CC(=O)NC3=CC=C(C=C3)Cl", "InChI_key": "HEAWNHITCACTBT-UHFFFAOYSA-N" } }, "CID:44623839": { "type": "Drug", "properties": { "id": "CID:44623839", "label": "ku-c104233", "lsm": "LSM-2665", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623839", "FDA_Category_D_L1000_Similarity": -0.550743, "FDA_Category_D_Structural_Similarity": -0.827549, "FDA_Category_D_Weighted_Contribution": -0.987397, "FDA_Category_D_Top_Rank": -0.0953125, "FDA_Category_X_L1000_Similarity": 0.479299, "FDA_Category_X_Structural_Similarity": -0.467708, "FDA_Category_X_Weighted_Contribution": -0.331332, "FDA_Category_X_Top_Rank": -0.0827644, "FDA_Category_D_and_X_L1000_Similarity": -0.329194, "FDA_Category_D_and_X_Structural_Similarity": -0.90921, "FDA_Category_D_and_X_Weighted_Contribution": -0.950706, "FDA_Category_D_and_X_Top_Rank": -0.0943565, "Placenta_Crossing_L1000_Similarity": -1.43853, "Placenta_Crossing_Structural_Similarity": -0.857767, "Placenta_Crossing_Weighted_Contribution": -1.22554, "Placenta_Crossing_Top_Rank": -0.0919952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC(=CC=C5)F)C(=O)C6=COC=C6", "InChI_key": "ZTECVLLHVJLJTR-UHFFFAOYSA-N" } }, "CID:44623844": { "type": "Drug", "properties": { "id": "CID:44623844", "label": "ku-c104228", "lsm": "LSM-4179", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623844", "FDA_Category_D_L1000_Similarity": 0.206881, "FDA_Category_D_Structural_Similarity": -0.825268, "FDA_Category_D_Weighted_Contribution": -0.691852, "FDA_Category_D_Top_Rank": -0.0901398, "FDA_Category_X_L1000_Similarity": 0.0375576, "FDA_Category_X_Structural_Similarity": -0.463135, "FDA_Category_X_Weighted_Contribution": -0.516696, "FDA_Category_X_Top_Rank": -0.0873416, "FDA_Category_D_and_X_L1000_Similarity": 0.189739, "FDA_Category_D_and_X_Structural_Similarity": -0.904933, "FDA_Category_D_and_X_Weighted_Contribution": -0.761987, "FDA_Category_D_and_X_Top_Rank": -0.0903399, "Placenta_Crossing_L1000_Similarity": -0.113025, "Placenta_Crossing_Structural_Similarity": -0.853498, "Placenta_Crossing_Weighted_Contribution": -0.84348, "Placenta_Crossing_Top_Rank": -0.0890716, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C(=O)C6=COC=C6", "InChI_key": "DTRSQRHAUIQIPB-UHFFFAOYSA-N" } }, "CID:44623845": { "type": "Drug", "properties": { "id": "CID:44623845", "label": "ku-c104226", "lsm": "LSM-3582", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623845", "FDA_Category_D_L1000_Similarity": 0.212367, "FDA_Category_D_Structural_Similarity": -0.811982, "FDA_Category_D_Weighted_Contribution": -0.679857, "FDA_Category_D_Top_Rank": -0.0900897, "FDA_Category_X_L1000_Similarity": 2.07976, "FDA_Category_X_Structural_Similarity": -0.480656, "FDA_Category_X_Weighted_Contribution": 0.44585, "FDA_Category_X_Top_Rank": 0.0246448, "FDA_Category_D_and_X_L1000_Similarity": 0.814647, "FDA_Category_D_and_X_Structural_Similarity": -0.903841, "FDA_Category_D_and_X_Weighted_Contribution": -0.506388, "FDA_Category_D_and_X_Top_Rank": -0.0772022, "Placenta_Crossing_L1000_Similarity": 0.627623, "Placenta_Crossing_Structural_Similarity": -0.525596, "Placenta_Crossing_Weighted_Contribution": -0.315351, "Placenta_Crossing_Top_Rank": -0.0804437, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=COC=C4)C5=CC(=CC=C5)OC", "InChI_key": "RPOIKMOCRAQGQV-UHFFFAOYSA-N" } }, "CID:446284": { "type": "Drug", "properties": { "id": "CID:446284", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446284", "label": "icosapent", "FDA_Category_D_L1000_Similarity": -0.185053, "FDA_Category_D_Structural_Similarity": -0.900864, "FDA_Category_D_Weighted_Contribution": -0.89998, "FDA_Category_D_Top_Rank": -0.0935975, "FDA_Category_X_L1000_Similarity": 0.298322, "FDA_Category_X_Structural_Similarity": -0.593056, "FDA_Category_X_Weighted_Contribution": -0.516228, "FDA_Category_X_Top_Rank": -0.0849593, "FDA_Category_D_and_X_L1000_Similarity": -0.0689331, "FDA_Category_D_and_X_Structural_Similarity": -1.03504, "FDA_Category_D_and_X_Weighted_Contribution": -0.938617, "FDA_Category_D_and_X_Top_Rank": -0.0927641, "Placenta_Crossing_L1000_Similarity": 0.717321, "Placenta_Crossing_Structural_Similarity": -0.96086, "Placenta_Crossing_Weighted_Contribution": -0.62469, "Placenta_Crossing_Top_Rank": -0.0785279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O", "InChI_key": "JAZBEHYOTPTENJ-JLNKQSITSA-N" } }, "CID:44628955": { "type": "Drug", "properties": { "id": "CID:44628955", "label": "foxy-5", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44628955", "FDA_Category_D_L1000_Similarity": 0.00742244, "FDA_Category_D_Structural_Similarity": -0.654192, "FDA_Category_D_Weighted_Contribution": -0.652106, "FDA_Category_D_Top_Rank": -0.0921119, "FDA_Category_X_L1000_Similarity": 0.298086, "FDA_Category_X_Structural_Similarity": 1.26018, "FDA_Category_X_Weighted_Contribution": 1.39755, "FDA_Category_X_Top_Rank": -0.0242308, "FDA_Category_D_and_X_L1000_Similarity": 0.0969223, "FDA_Category_D_and_X_Structural_Similarity": 0.160748, "FDA_Category_D_and_X_Weighted_Contribution": 0.0638541, "FDA_Category_D_and_X_Top_Rank": -0.0825731, "Placenta_Crossing_L1000_Similarity": 0.525933, "Placenta_Crossing_Structural_Similarity": -0.660884, "Placenta_Crossing_Weighted_Contribution": -0.468813, "Placenta_Crossing_Top_Rank": -0.0825026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC=O", "InChI_key": "WFZPJYYCTSHDJI-ATIWLJMLSA-N" } }, "CID:44629742": { "type": "Drug", "properties": { "id": "CID:44629742", "label": "KU-C104250", "lsm": "LSM-2034", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44629742", "FDA_Category_D_L1000_Similarity": 1.0022, "FDA_Category_D_Structural_Similarity": -0.571861, "FDA_Category_D_Weighted_Contribution": -0.0996542, "FDA_Category_D_Top_Rank": -0.0651781, "FDA_Category_X_L1000_Similarity": -0.442589, "FDA_Category_X_Structural_Similarity": -0.429628, "FDA_Category_X_Weighted_Contribution": -0.681142, "FDA_Category_X_Top_Rank": -0.088704, "FDA_Category_D_and_X_L1000_Similarity": 0.729502, "FDA_Category_D_and_X_Structural_Similarity": -0.685719, "FDA_Category_D_and_X_Weighted_Contribution": -0.370377, "FDA_Category_D_and_X_Top_Rank": -0.0802941, "Placenta_Crossing_L1000_Similarity": 0.564414, "Placenta_Crossing_Structural_Similarity": -0.585684, "Placenta_Crossing_Weighted_Contribution": -0.392195, "Placenta_Crossing_Top_Rank": -0.0818125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44630538": { "type": "Drug", "properties": { "id": "CID:44630538", "label": "ku-c104254", "lsm": "LSM-2369", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44630538", "FDA_Category_D_L1000_Similarity": -0.870848, "FDA_Category_D_Structural_Similarity": -0.820124, "FDA_Category_D_Weighted_Contribution": -1.09142, "FDA_Category_D_Top_Rank": -0.0960788, "FDA_Category_X_L1000_Similarity": -0.0909819, "FDA_Category_X_Structural_Similarity": -0.455865, "FDA_Category_X_Weighted_Contribution": -0.563313, "FDA_Category_X_Top_Rank": -0.0881634, "FDA_Category_D_and_X_L1000_Similarity": -0.778317, "FDA_Category_D_and_X_Structural_Similarity": -0.896927, "FDA_Category_D_and_X_Weighted_Contribution": -1.08687, "FDA_Category_D_and_X_Top_Rank": -0.0958658, "Placenta_Crossing_L1000_Similarity": -0.958094, "Placenta_Crossing_Structural_Similarity": -0.850462, "Placenta_Crossing_Weighted_Contribution": -1.09754, "Placenta_Crossing_Top_Rank": -0.0917571, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)C2=NC3=CC(=NN3C(=C2)N4CCN(CC4)C(=O)C5=COC=C5)C6=CC(=CC=C6)Cl", "InChI_key": "YKIPCRAQHJHAKU-UHFFFAOYSA-N" } }, "CID:44630539": { "type": "Drug", "properties": { "id": "CID:44630539", "label": "ku-c104256", "lsm": "LSM-2225", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44630539", "FDA_Category_D_L1000_Similarity": 0.200763, "FDA_Category_D_Structural_Similarity": -0.950319, "FDA_Category_D_Weighted_Contribution": -0.782757, "FDA_Category_D_Top_Rank": -0.0901925, "FDA_Category_X_L1000_Similarity": 0.010962, "FDA_Category_X_Structural_Similarity": -0.744496, "FDA_Category_X_Weighted_Contribution": -0.747285, "FDA_Category_X_Top_Rank": -0.0875256, "FDA_Category_D_and_X_L1000_Similarity": 0.176393, "FDA_Category_D_and_X_Structural_Similarity": -1.15601, "FDA_Category_D_and_X_Weighted_Contribution": -0.928565, "FDA_Category_D_and_X_Top_Rank": -0.0905309, "Placenta_Crossing_L1000_Similarity": 0.234909, "Placenta_Crossing_Structural_Similarity": -1.0469, "Placenta_Crossing_Weighted_Contribution": -0.854485, "Placenta_Crossing_Top_Rank": -0.0863278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)Cl)C(=O)C5=CC=CC=C5", "InChI_key": "DPGXCTRHTPYRPJ-UHFFFAOYSA-N" } }, "CID:44630540": { "type": "Drug", "properties": { "id": "CID:44630540", "label": "ku-c104255", "lsm": "LSM-4056", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44630540", "FDA_Category_D_L1000_Similarity": -0.991114, "FDA_Category_D_Structural_Similarity": -0.831396, "FDA_Category_D_Weighted_Contribution": -1.13584, "FDA_Category_D_Top_Rank": -0.0962685, "FDA_Category_X_L1000_Similarity": 0.478201, "FDA_Category_X_Structural_Similarity": -0.477109, "FDA_Category_X_Weighted_Contribution": -0.340143, "FDA_Category_X_Top_Rank": -0.0827772, "FDA_Category_D_and_X_L1000_Similarity": -0.709135, "FDA_Category_D_and_X_Structural_Similarity": -0.917336, "FDA_Category_D_and_X_Weighted_Contribution": -1.07695, "FDA_Category_D_and_X_Top_Rank": -0.0957081, "Placenta_Crossing_L1000_Similarity": -0.741427, "Placenta_Crossing_Structural_Similarity": -0.862009, "Placenta_Crossing_Weighted_Contribution": -1.04307, "Placenta_Crossing_Top_Rank": -0.091392, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C(=O)C6=CC=NC=C6", "InChI_key": "OFXFEJDHUJUAED-UHFFFAOYSA-N" } }, "CID:44630541": { "type": "Drug", "properties": { "id": "CID:44630541", "label": "ku-c104253", "lsm": "LSM-4069", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44630541", "FDA_Category_D_L1000_Similarity": 0.359118, "FDA_Category_D_Structural_Similarity": -0.826736, "FDA_Category_D_Weighted_Contribution": -0.627234, "FDA_Category_D_Top_Rank": -0.0878593, "FDA_Category_X_L1000_Similarity": 0.201942, "FDA_Category_X_Structural_Similarity": -0.465792, "FDA_Category_X_Weighted_Contribution": -0.450086, "FDA_Category_X_Top_Rank": -0.0859186, "FDA_Category_D_and_X_L1000_Similarity": 0.370893, "FDA_Category_D_and_X_Structural_Similarity": -0.907531, "FDA_Category_D_and_X_Weighted_Contribution": -0.693429, "FDA_Category_D_and_X_Top_Rank": -0.0878931, "Placenta_Crossing_L1000_Similarity": -0.414121, "Placenta_Crossing_Structural_Similarity": -0.856293, "Placenta_Crossing_Weighted_Contribution": -0.941901, "Placenta_Crossing_Top_Rank": -0.0905035, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC=NC=C5)C(=O)C6=COC=C6", "InChI_key": "JFVCRRUHGZMQLW-UHFFFAOYSA-N" } }, "CID:44634697": { "type": "Drug", "properties": { "id": "CID:44634697", "label": "kitasamycin", "lsm": "LSM-5634", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44634697", "FDA_Category_D_L1000_Similarity": 0.292968, "FDA_Category_D_Structural_Similarity": 1.27978, "FDA_Category_D_Weighted_Contribution": 1.39384, "FDA_Category_D_Top_Rank": -0.035812, "FDA_Category_X_L1000_Similarity": -0.545694, "FDA_Category_X_Structural_Similarity": 2.87465, "FDA_Category_X_Weighted_Contribution": 2.6755, "FDA_Category_X_Top_Rank": 0.184288, "FDA_Category_D_and_X_L1000_Similarity": 0.0868235, "FDA_Category_D_and_X_Structural_Similarity": 2.56693, "FDA_Category_D_and_X_Weighted_Contribution": 2.50515, "FDA_Category_D_and_X_Top_Rank": 0.112815, "Placenta_Crossing_L1000_Similarity": 0.214051, "Placenta_Crossing_Structural_Similarity": 0.428889, "Placenta_Crossing_Weighted_Contribution": 0.380884, "Placenta_Crossing_Top_Rank": -0.0716654, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)OC(=O)CC(C)C)N(C)C)O)CC=O)C)O", "InChI_key": "UKNSBNVKSFTZOJ-DJBGMQKKSA-N" } }, "CID:44640181": { "type": "Drug", "properties": { "id": "CID:44640181", "label": "ku-c104495", "lsm": "LSM-3636", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44640181", "FDA_Category_D_L1000_Similarity": 1.15606, "FDA_Category_D_Structural_Similarity": -0.790467, "FDA_Category_D_Weighted_Contribution": -0.215581, "FDA_Category_D_Top_Rank": -0.0529361, "FDA_Category_X_L1000_Similarity": 0.116618, "FDA_Category_X_Structural_Similarity": -0.493087, "FDA_Category_X_Weighted_Contribution": -0.508751, "FDA_Category_X_Top_Rank": -0.0867227, "FDA_Category_D_and_X_L1000_Similarity": 1.03196, "FDA_Category_D_and_X_Structural_Similarity": -0.893472, "FDA_Category_D_and_X_Weighted_Contribution": -0.401547, "FDA_Category_D_and_X_Top_Rank": -0.0671342, "Placenta_Crossing_L1000_Similarity": 0.247614, "Placenta_Crossing_Structural_Similarity": -0.498005, "Placenta_Crossing_Weighted_Contribution": -0.451486, "Placenta_Crossing_Top_Rank": -0.0862178, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=C(C=C5)OC", "InChI_key": "MIISNFZCQYXPLO-UHFFFAOYSA-N" } }, "CID:4472": { "type": "Drug", "properties": { "id": "CID:4472", "label": "nialamide", "lsm": "LSM-5300", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4472", "FDA_Category_D_L1000_Similarity": -0.0602617, "FDA_Category_D_Structural_Similarity": -0.781077, "FDA_Category_D_Weighted_Contribution": -0.771431, "FDA_Category_D_Top_Rank": -0.0927023, "FDA_Category_X_L1000_Similarity": 0.856176, "FDA_Category_X_Structural_Similarity": -0.747129, "FDA_Category_X_Weighted_Contribution": -0.410727, "FDA_Category_X_Top_Rank": -0.0754936, "FDA_Category_D_and_X_L1000_Similarity": 0.208056, "FDA_Category_D_and_X_Structural_Similarity": -1.0231, "FDA_Category_D_and_X_Weighted_Contribution": -0.833698, "FDA_Category_D_and_X_Top_Rank": -0.0901022, "Placenta_Crossing_L1000_Similarity": 1.29898, "Placenta_Crossing_Structural_Similarity": -0.153517, "Placenta_Crossing_Weighted_Contribution": 0.348561, "Placenta_Crossing_Top_Rank": -0.0556564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2", "InChI_key": "NOIIUHRQUVNIDD-UHFFFAOYSA-N" } }, "CID:447713": { "type": "Drug", "properties": { "id": "CID:447713", "label": "fexaramine", "lsm": "LSM-2746", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/447713", "FDA_Category_D_L1000_Similarity": -0.0593723, "FDA_Category_D_Structural_Similarity": -0.359335, "FDA_Category_D_Weighted_Contribution": -0.453765, "FDA_Category_D_Top_Rank": -0.0923438, "FDA_Category_X_L1000_Similarity": -0.228045, "FDA_Category_X_Structural_Similarity": 0.682579, "FDA_Category_X_Weighted_Contribution": 0.454864, "FDA_Category_X_Top_Rank": -0.054677, "FDA_Category_D_and_X_L1000_Similarity": -0.120431, "FDA_Category_D_and_X_Structural_Similarity": 0.083108, "FDA_Category_D_and_X_Weighted_Contribution": -0.119353, "FDA_Category_D_and_X_Top_Rank": -0.0844971, "Placenta_Crossing_L1000_Similarity": -0.021047, "Placenta_Crossing_Structural_Similarity": 1.40731, "Placenta_Crossing_Weighted_Contribution": 1.29176, "Placenta_Crossing_Top_Rank": -0.0256445, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)C=CC(=O)OC)C(=O)C4CCCCC4", "InChI_key": "VLQTUNDJHLEFEQ-UHFFFAOYSA-N" } }, "CID:447905": { "type": "Drug", "properties": { "id": "CID:447905", "label": "(3-{3-[[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy}phenyl)acetic acid", "lsm": "LSM-2738", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/447905", "FDA_Category_D_L1000_Similarity": -0.365222, "FDA_Category_D_Structural_Similarity": 0.606868, "FDA_Category_D_Weighted_Contribution": 0.26383, "FDA_Category_D_Top_Rank": -0.0672642, "FDA_Category_X_L1000_Similarity": -0.458573, "FDA_Category_X_Structural_Similarity": -0.416615, "FDA_Category_X_Weighted_Contribution": -0.677302, "FDA_Category_X_Top_Rank": -0.0885003, "FDA_Category_D_and_X_L1000_Similarity": -0.454085, "FDA_Category_D_and_X_Structural_Similarity": 0.256875, "FDA_Category_D_and_X_Weighted_Contribution": -0.131208, "FDA_Category_D_and_X_Top_Rank": -0.0804374, "Placenta_Crossing_L1000_Similarity": -0.825341, "Placenta_Crossing_Structural_Similarity": 0.75532, "Placenta_Crossing_Weighted_Contribution": 0.1812, "Placenta_Crossing_Top_Rank": -0.0611622, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4", "InChI_key": "NAXSRXHZFIBFMI-UHFFFAOYSA-N" } }, "CID:447912": { "type": "Drug", "properties": { "id": "CID:447912", "label": "n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide", "lsm": "LSM-2509", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/447912", "FDA_Category_D_L1000_Similarity": -0.906397, "FDA_Category_D_Structural_Similarity": -0.0837567, "FDA_Category_D_Weighted_Contribution": -0.625801, "FDA_Category_D_Top_Rank": -0.0871717, "FDA_Category_X_L1000_Similarity": -1.2836, "FDA_Category_X_Structural_Similarity": 0.353516, "FDA_Category_X_Weighted_Contribution": -0.384857, "FDA_Category_X_Top_Rank": -0.0675334, "FDA_Category_D_and_X_L1000_Similarity": -1.17114, "FDA_Category_D_and_X_Structural_Similarity": 0.124277, "FDA_Category_D_and_X_Weighted_Contribution": -0.571345, "FDA_Category_D_and_X_Top_Rank": -0.083386, "Placenta_Crossing_L1000_Similarity": -1.02315, "Placenta_Crossing_Structural_Similarity": -0.398226, "Placenta_Crossing_Weighted_Contribution": -0.847687, "Placenta_Crossing_Top_Rank": -0.0887032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O", "InChI_key": "SGIWFELWJPNFDH-UHFFFAOYSA-N" } }, "CID:44828478": { "type": "Drug", "properties": { "id": "CID:44828478", "label": "kuc104547n", "lsm": "LSM-2884", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44828478", "FDA_Category_D_L1000_Similarity": -0.157983, "FDA_Category_D_Structural_Similarity": 1.1089, "FDA_Category_D_Weighted_Contribution": 0.918601, "FDA_Category_D_Top_Rank": -0.0451864, "FDA_Category_X_L1000_Similarity": 1.7589, "FDA_Category_X_Structural_Similarity": -0.521366, "FDA_Category_X_Weighted_Contribution": 0.23383, "FDA_Category_X_Top_Rank": -0.0244309, "FDA_Category_D_and_X_L1000_Similarity": 0.397965, "FDA_Category_D_and_X_Structural_Similarity": 0.598821, "FDA_Category_D_and_X_Weighted_Contribution": 0.669278, "FDA_Category_D_and_X_Top_Rank": -0.0708759, "Placenta_Crossing_L1000_Similarity": 0.173528, "Placenta_Crossing_Structural_Similarity": -0.523222, "Placenta_Crossing_Weighted_Contribution": -0.501314, "Placenta_Crossing_Top_Rank": -0.0868589, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)N2CCN(CC2)CCCNC(=O)CN3C4=C(C=CC=N4)N5C=CC=C5C3=O)OC", "InChI_key": "ZUAAACBIEWKSNS-UHFFFAOYSA-N" } }, "CID:4486": { "type": "Drug", "properties": { "id": "CID:4486", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4486", "label": "nifekalant", "FDA_Category_D_L1000_Similarity": 0.863798, "FDA_Category_D_Structural_Similarity": -0.636408, "FDA_Category_D_Weighted_Contribution": -0.230682, "FDA_Category_D_Top_Rank": -0.0730669, "FDA_Category_X_L1000_Similarity": 1.1153, "FDA_Category_X_Structural_Similarity": -0.711817, "FDA_Category_X_Weighted_Contribution": -0.264815, "FDA_Category_X_Top_Rank": -0.0675676, "FDA_Category_D_and_X_L1000_Similarity": 1.0833, "FDA_Category_D_and_X_Structural_Similarity": -0.889219, "FDA_Category_D_and_X_Weighted_Contribution": -0.37462, "FDA_Category_D_and_X_Top_Rank": -0.0639564, "Placenta_Crossing_L1000_Similarity": 1.40257, "Placenta_Crossing_Structural_Similarity": -0.791198, "Placenta_Crossing_Weighted_Contribution": -0.205341, "Placenta_Crossing_Top_Rank": -0.0478622, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO", "InChI_key": "OEBPANQZQGQPHF-UHFFFAOYSA-N" } }, "CID:4487": { "type": "Drug", "properties": { "id": "CID:4487", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4487", "label": "nifenazone", "FDA_Category_D_L1000_Similarity": -0.186032, "FDA_Category_D_Structural_Similarity": 1.47942, "FDA_Category_D_Weighted_Contribution": 1.30543, "FDA_Category_D_Top_Rank": -0.0191789, "FDA_Category_X_L1000_Similarity": -0.230986, "FDA_Category_X_Structural_Similarity": -0.0823668, "FDA_Category_X_Weighted_Contribution": -0.304682, "FDA_Category_X_Top_Rank": -0.0817845, "FDA_Category_D_and_X_L1000_Similarity": -0.230514, "FDA_Category_D_and_X_Structural_Similarity": 1.12979, "FDA_Category_D_and_X_Weighted_Contribution": 0.857308, "FDA_Category_D_and_X_Top_Rank": -0.0436653, "Placenta_Crossing_L1000_Similarity": -0.275332, "Placenta_Crossing_Structural_Similarity": 2.22441, "Placenta_Crossing_Weighted_Contribution": 2.0182, "Placenta_Crossing_Top_Rank": 0.0533483, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3", "InChI_key": "BRZANEXCSZCZCI-UHFFFAOYSA-N" } }, "CID:44907124": { "type": "Drug", "properties": { "id": "CID:44907124", "label": "vu-0413247-1", "lsm": "LSM-3359", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44907124", "FDA_Category_D_L1000_Similarity": -2.01516, "FDA_Category_D_Structural_Similarity": 0.00555563, "FDA_Category_D_Weighted_Contribution": -1.00202, "FDA_Category_D_Top_Rank": -0.0850653, "FDA_Category_X_L1000_Similarity": -0.0692515, "FDA_Category_X_Structural_Similarity": -0.498913, "FDA_Category_X_Weighted_Contribution": -0.589186, "FDA_Category_X_Top_Rank": -0.0880468, "FDA_Category_D_and_X_L1000_Similarity": -1.75813, "FDA_Category_D_and_X_Structural_Similarity": -0.264802, "FDA_Category_D_and_X_Weighted_Contribution": -1.04143, "FDA_Category_D_and_X_Top_Rank": -0.0912079, "Placenta_Crossing_L1000_Similarity": -1.2012, "Placenta_Crossing_Structural_Similarity": -0.118967, "Placenta_Crossing_Weighted_Contribution": -0.719581, "Placenta_Crossing_Top_Rank": -0.0845672, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCOC4=CC=C(C=C4)F", "InChI_key": "GAABOABJYSKCPL-UHFFFAOYSA-N" } }, "CID:4493": { "type": "Drug", "properties": { "id": "CID:4493", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4493", "label": "nilutamide", "FDA_Category_D_L1000_Similarity": -0.0655503, "FDA_Category_D_Structural_Similarity": 0.89814, "FDA_Category_D_Weighted_Contribution": 0.749542, "FDA_Category_D_Top_Rank": -0.055674, "FDA_Category_X_L1000_Similarity": 0.0277454, "FDA_Category_X_Structural_Similarity": -0.500772, "FDA_Category_X_Weighted_Contribution": -0.551551, "FDA_Category_X_Top_Rank": -0.087416, "FDA_Category_D_and_X_L1000_Similarity": -0.0480797, "FDA_Category_D_and_X_Structural_Similarity": 0.442651, "FDA_Category_D_and_X_Weighted_Contribution": 0.256838, "FDA_Category_D_and_X_Top_Rank": -0.075714, "Placenta_Crossing_L1000_Similarity": 0.646261, "Placenta_Crossing_Structural_Similarity": 0.424568, "Placenta_Crossing_Weighted_Contribution": 0.602101, "Placenta_Crossing_Top_Rank": -0.071796, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C", "InChI_key": "XWXYUMMDTVBTOU-UHFFFAOYSA-N" } }, "CID:4499": { "type": "Drug", "properties": { "id": "CID:4499", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4499", "label": "nisoldipine", "FDA_Category_D_L1000_Similarity": -0.677623, "FDA_Category_D_Structural_Similarity": 1.31411, "FDA_Category_D_Weighted_Contribution": 0.811415, "FDA_Category_D_Top_Rank": -0.033358, "FDA_Category_X_L1000_Similarity": -1.31082, "FDA_Category_X_Structural_Similarity": -0.0617323, "FDA_Category_X_Weighted_Contribution": -0.731438, "FDA_Category_X_Top_Rank": -0.081225, "FDA_Category_D_and_X_L1000_Similarity": -0.982193, "FDA_Category_D_and_X_Structural_Similarity": 1.00972, "FDA_Category_D_and_X_Weighted_Contribution": 0.299663, "FDA_Category_D_and_X_Top_Rank": -0.0527643, "Placenta_Crossing_L1000_Similarity": -1.15291, "Placenta_Crossing_Structural_Similarity": 3.00395, "Placenta_Crossing_Weighted_Contribution": 2.34662, "Placenta_Crossing_Top_Rank": 0.195955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC", "InChI_key": "VKQFCGNPDRICFG-UHFFFAOYSA-N" } }, "CID:4506": { "type": "Drug", "properties": { "id": "CID:4506", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4506", "label": "nitrazepam", "ref": "LSM-5681", "FDA_Category_D_L1000_Similarity": -0.206828, "FDA_Category_D_Structural_Similarity": 6.08945, "FDA_Category_D_Weighted_Contribution": 4.23801, "FDA_Category_D_Top_Rank": 1.87699, "FDA_Category_X_L1000_Similarity": 0.877988, "FDA_Category_X_Structural_Similarity": 0.0947103, "FDA_Category_X_Weighted_Contribution": 0.418025, "FDA_Category_X_Top_Rank": -0.0749791, "FDA_Category_D_and_X_L1000_Similarity": 0.0883407, "FDA_Category_D_and_X_Structural_Similarity": 4.88438, "FDA_Category_D_and_X_Weighted_Contribution": 3.88115, "FDA_Category_D_and_X_Top_Rank": 1.14518, "Placenta_Crossing_L1000_Similarity": 0.473237, "Placenta_Crossing_Structural_Similarity": 5.09141, "Placenta_Crossing_Weighted_Contribution": 4.03643, "Placenta_Crossing_Top_Rank": 1.0788, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3", "InChI_key": "KJONHKAYOJNZEC-UHFFFAOYSA-N" } }, "CID:45110765": { "type": "Drug", "properties": { "id": "CID:45110765", "label": "vu-0400071-3", "lsm": "LSM-1658", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45110765", "FDA_Category_D_L1000_Similarity": 0.898634, "FDA_Category_D_Structural_Similarity": 1.91386, "FDA_Category_D_Weighted_Contribution": 2.41977, "FDA_Category_D_Top_Rank": 0.0359087, "FDA_Category_X_L1000_Similarity": 1.03973, "FDA_Category_X_Structural_Similarity": -0.439125, "FDA_Category_X_Weighted_Contribution": -0.0443686, "FDA_Category_X_Top_Rank": -0.0702416, "FDA_Category_D_and_X_L1000_Similarity": 1.09039, "FDA_Category_D_and_X_Structural_Similarity": 1.2821, "FDA_Category_D_and_X_Weighted_Contribution": 1.80499, "FDA_Category_D_and_X_Top_Rank": -0.0333606, "Placenta_Crossing_L1000_Similarity": 0.381792, "Placenta_Crossing_Structural_Similarity": -1.02302, "Placenta_Crossing_Weighted_Contribution": -0.789281, "Placenta_Crossing_Top_Rank": -0.084673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)C4=CC=CC=C4", "InChI_key": "UYGDCIXFYIWDMR-UHFFFAOYSA-N" } }, "CID:45115609": { "type": "Drug", "properties": { "id": "CID:45115609", "label": "vu-0414833-2", "lsm": "LSM-2399", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45115609", "FDA_Category_D_L1000_Similarity": 0.281042, "FDA_Category_D_Structural_Similarity": -0.44701, "FDA_Category_D_Weighted_Contribution": -0.361507, "FDA_Category_D_Top_Rank": -0.0891224, "FDA_Category_X_L1000_Similarity": 1.61362, "FDA_Category_X_Structural_Similarity": -0.393799, "FDA_Category_X_Weighted_Contribution": 0.290836, "FDA_Category_X_Top_Rank": -0.0384097, "FDA_Category_D_and_X_L1000_Similarity": 0.7323, "FDA_Category_D_and_X_Structural_Similarity": -0.56729, "FDA_Category_D_and_X_Weighted_Contribution": -0.269987, "FDA_Category_D_and_X_Top_Rank": -0.0801854, "Placenta_Crossing_L1000_Similarity": 0.728463, "Placenta_Crossing_Structural_Similarity": -0.119218, "Placenta_Crossing_Weighted_Contribution": 0.097866, "Placenta_Crossing_Top_Rank": -0.0781967, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CCN1CCCC(C1)NC(=O)COC2=CC(=C(C=C2)F)Cl", "InChI_key": "IQDZSRFIHJZYLF-AWEZNQCLSA-N" } }, "CID:45138674": { "type": "Drug", "properties": { "id": "CID:45138674", "label": "letermovir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45138674", "FDA_Category_D_L1000_Similarity": -0.106851, "FDA_Category_D_Structural_Similarity": -0.929459, "FDA_Category_D_Weighted_Contribution": -0.888934, "FDA_Category_D_Top_Rank": -0.0930714, "FDA_Category_X_L1000_Similarity": -0.661104, "FDA_Category_X_Structural_Similarity": -0.711396, "FDA_Category_X_Weighted_Contribution": -0.958208, "FDA_Category_X_Top_Rank": -0.0905438, "FDA_Category_D_and_X_L1000_Similarity": -0.292876, "FDA_Category_D_and_X_Structural_Similarity": -1.12159, "FDA_Category_D_and_X_Weighted_Contribution": -1.06106, "FDA_Category_D_and_X_Top_Rank": -0.094163, "Placenta_Crossing_L1000_Similarity": -0.373506, "Placenta_Crossing_Structural_Similarity": -1.04832, "Placenta_Crossing_Weighted_Contribution": -1.04287, "Placenta_Crossing_Top_Rank": -0.090349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)O", "InChI_key": "FWYSMLBETOMXAG-QHCPKHFHSA-N" } }, "CID:451668": { "type": "Drug", "properties": { "id": "CID:451668", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/451668", "label": "decitabine", "ref": "LSM-5855", "FDA_Category_D_L1000_Similarity": 1.36888, "FDA_Category_D_Structural_Similarity": 2.04842, "FDA_Category_D_Weighted_Contribution": 2.78916, "FDA_Category_D_Top_Rank": 0.0559367, "FDA_Category_X_L1000_Similarity": -1.50252, "FDA_Category_X_Structural_Similarity": -0.639961, "FDA_Category_X_Weighted_Contribution": -1.1692, "FDA_Category_X_Top_Rank": -0.0914688, "FDA_Category_D_and_X_L1000_Similarity": 0.72371, "FDA_Category_D_and_X_Structural_Similarity": 1.28054, "FDA_Category_D_and_X_Weighted_Contribution": 1.58868, "FDA_Category_D_and_X_Top_Rank": -0.0334451, "Placenta_Crossing_L1000_Similarity": 0.132586, "Placenta_Crossing_Structural_Similarity": 0.00654089, "Placenta_Crossing_Weighted_Contribution": -0.0675399, "Placenta_Crossing_Top_Rank": -0.0821962, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=NC(=NC2=O)N)CO)O", "InChI_key": "XAUDJQYHKZQPEU-KVQBGUIXSA-N" } }, "CID:4519822": { "type": "Drug", "properties": { "id": "CID:4519822", "label": "mrs-1334", "lsm": "LSM-1279", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4519822", "FDA_Category_D_L1000_Similarity": 0.430957, "FDA_Category_D_Structural_Similarity": -0.160622, "FDA_Category_D_Weighted_Contribution": -0.0284926, "FDA_Category_D_Top_Rank": -0.0866542, "FDA_Category_X_L1000_Similarity": -0.3673, "FDA_Category_X_Structural_Similarity": -0.665563, "FDA_Category_X_Weighted_Contribution": -0.827125, "FDA_Category_X_Top_Rank": -0.0895528, "FDA_Category_D_and_X_L1000_Similarity": 0.259957, "FDA_Category_D_and_X_Structural_Similarity": -0.486623, "FDA_Category_D_and_X_Weighted_Contribution": -0.422466, "FDA_Category_D_and_X_Top_Rank": -0.0894978, "Placenta_Crossing_L1000_Similarity": 0.552682, "Placenta_Crossing_Structural_Similarity": -0.293564, "Placenta_Crossing_Weighted_Contribution": -0.146359, "Placenta_Crossing_Top_Rank": -0.082041, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C", "InChI_key": "QFLOJAMZLQXHFS-UHFFFAOYSA-N" } }, "CID:4528": { "type": "Drug", "properties": { "id": "CID:4528", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4528", "label": "nomifensine", "FDA_Category_D_L1000_Similarity": -0.182307, "FDA_Category_D_Structural_Similarity": -0.217958, "FDA_Category_D_Weighted_Contribution": -0.396836, "FDA_Category_D_Top_Rank": -0.0898759, "FDA_Category_X_L1000_Similarity": 1.53332, "FDA_Category_X_Structural_Similarity": -0.633601, "FDA_Category_X_Weighted_Contribution": 0.00686063, "FDA_Category_X_Top_Rank": -0.0449359, "FDA_Category_D_and_X_L1000_Similarity": 0.308483, "FDA_Category_D_and_X_Structural_Similarity": -0.514885, "FDA_Category_D_and_X_Weighted_Contribution": -0.423318, "FDA_Category_D_and_X_Top_Rank": -0.0888236, "Placenta_Crossing_L1000_Similarity": 0.32033, "Placenta_Crossing_Structural_Similarity": -0.88472, "Placenta_Crossing_Weighted_Contribution": -0.71526, "Placenta_Crossing_Top_Rank": -0.0854122, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3", "InChI_key": "XXPANQJNYNUNES-UHFFFAOYSA-N" } }, "CID:45281798": { "type": "Drug", "properties": { "id": "CID:45281798", "label": "vu-0365118-1", "lsm": "LSM-3189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45281798", "FDA_Category_D_L1000_Similarity": -1.02778, "FDA_Category_D_Structural_Similarity": -0.606038, "FDA_Category_D_Weighted_Contribution": -1.02175, "FDA_Category_D_Top_Rank": -0.0951076, "FDA_Category_X_L1000_Similarity": 0.163855, "FDA_Category_X_Structural_Similarity": -0.442157, "FDA_Category_X_Weighted_Contribution": -0.446201, "FDA_Category_X_Top_Rank": -0.0862819, "FDA_Category_D_and_X_L1000_Similarity": -0.836203, "FDA_Category_D_and_X_Structural_Similarity": -0.719607, "FDA_Category_D_and_X_Weighted_Contribution": -1.00628, "FDA_Category_D_and_X_Top_Rank": -0.0955369, "Placenta_Crossing_L1000_Similarity": -1.22644, "Placenta_Crossing_Structural_Similarity": -0.60127, "Placenta_Crossing_Weighted_Contribution": -1.03472, "Placenta_Crossing_Top_Rank": -0.090579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O)C4=CN=C(C=C4)Cl", "InChI_key": "LUHNHJZWUYWOMX-UHFFFAOYSA-N" } }, "CID:4533": { "type": "Drug", "properties": { "id": "CID:4533", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4533", "label": "nor-binaltorphimine", "FDA_Category_D_L1000_Similarity": 0.965076, "FDA_Category_D_Structural_Similarity": -0.290078, "FDA_Category_D_Weighted_Contribution": 0.147058, "FDA_Category_D_Top_Rank": -0.0672642, "FDA_Category_X_L1000_Similarity": -0.97279, "FDA_Category_X_Structural_Similarity": -0.489999, "FDA_Category_X_Weighted_Contribution": -0.914933, "FDA_Category_X_Top_Rank": -0.0896445, "FDA_Category_D_and_X_L1000_Similarity": 0.536496, "FDA_Category_D_and_X_Structural_Similarity": -0.49464, "FDA_Category_D_and_X_Weighted_Contribution": -0.301433, "FDA_Category_D_and_X_Top_Rank": -0.0849699, "Placenta_Crossing_L1000_Similarity": 0.143679, "Placenta_Crossing_Structural_Similarity": 0.465095, "Placenta_Crossing_Weighted_Contribution": 0.381395, "Placenta_Crossing_Top_Rank": -0.0705152, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1", "InChI_key": "APSUXPSYBJVPPS-UHFFFAOYSA-N" } }, "CID:45376076": { "type": "Drug", "properties": { "id": "CID:45376076", "label": "RN-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45376076", "FDA_Category_D_L1000_Similarity": -0.447283, "FDA_Category_D_Structural_Similarity": -0.812384, "FDA_Category_D_Weighted_Contribution": -0.941045, "FDA_Category_D_Top_Rank": -0.0949352, "FDA_Category_X_L1000_Similarity": 0.471284, "FDA_Category_X_Structural_Similarity": -0.634335, "FDA_Category_X_Weighted_Contribution": -0.47856, "FDA_Category_X_Top_Rank": -0.0828618, "FDA_Category_D_and_X_L1000_Similarity": -0.242446, "FDA_Category_D_and_X_Structural_Similarity": -0.987084, "FDA_Category_D_and_X_Weighted_Contribution": -0.968135, "FDA_Category_D_and_X_Top_Rank": -0.0938898, "Placenta_Crossing_L1000_Similarity": -0.657554, "Placenta_Crossing_Structural_Similarity": -0.574874, "Placenta_Crossing_Weighted_Contribution": -0.841922, "Placenta_Crossing_Top_Rank": -0.0903537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4543": { "type": "Drug", "properties": { "id": "CID:4543", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4543", "label": "nortriptyline", "ref": "LSM-4039", "FDA_Category_D_L1000_Similarity": -1.39154, "FDA_Category_D_Structural_Similarity": -0.816665, "FDA_Category_D_Weighted_Contribution": -1.24702, "FDA_Category_D_Top_Rank": -0.0965756, "FDA_Category_X_L1000_Similarity": 1.96552, "FDA_Category_X_Structural_Similarity": -0.616777, "FDA_Category_X_Weighted_Contribution": 0.242085, "FDA_Category_X_Top_Rank": 0.00585462, "FDA_Category_D_and_X_L1000_Similarity": -0.602639, "FDA_Category_D_and_X_Structural_Similarity": -0.981008, "FDA_Category_D_and_X_Weighted_Contribution": -1.0791, "FDA_Category_D_and_X_Top_Rank": -0.0954076, "Placenta_Crossing_L1000_Similarity": -2.32744, "Placenta_Crossing_Structural_Similarity": -0.0993586, "Placenta_Crossing_Weighted_Contribution": -1.0666, "Placenta_Crossing_Top_Rank": -0.0841549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31", "InChI_key": "PHVGLTMQBUFIQQ-UHFFFAOYSA-N" } }, "CID:45489406": { "type": "Drug", "properties": { "id": "CID:45489406", "label": "vu-0415535-1", "lsm": "LSM-1735", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45489406", "FDA_Category_D_L1000_Similarity": 0.824109, "FDA_Category_D_Structural_Similarity": -0.20126, "FDA_Category_D_Weighted_Contribution": 0.153193, "FDA_Category_D_Top_Rank": -0.0747322, "FDA_Category_X_L1000_Similarity": -0.526147, "FDA_Category_X_Structural_Similarity": 0.0714824, "FDA_Category_X_Weighted_Contribution": -0.299172, "FDA_Category_X_Top_Rank": -0.0779272, "FDA_Category_D_and_X_L1000_Similarity": 0.550624, "FDA_Category_D_and_X_Structural_Similarity": -0.121171, "FDA_Category_D_and_X_Weighted_Contribution": 0.0379761, "FDA_Category_D_and_X_Top_Rank": -0.0846985, "Placenta_Crossing_L1000_Similarity": 0.315009, "Placenta_Crossing_Structural_Similarity": 0.0248024, "Placenta_Crossing_Weighted_Contribution": 0.0354571, "Placenta_Crossing_Top_Rank": -0.0818075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)COC", "InChI_key": "HHTAADAUSUEJGX-UHFFFAOYSA-N" } }, "CID:45489447": { "type": "Drug", "properties": { "id": "CID:45489447", "label": "vu-0415555-1", "lsm": "LSM-1540", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45489447", "FDA_Category_D_L1000_Similarity": -0.498967, "FDA_Category_D_Structural_Similarity": -0.492859, "FDA_Category_D_Weighted_Contribution": -0.749581, "FDA_Category_D_Top_Rank": -0.094024, "FDA_Category_X_L1000_Similarity": -0.499524, "FDA_Category_X_Structural_Similarity": 0.0832406, "FDA_Category_X_Weighted_Contribution": -0.276593, "FDA_Category_X_Top_Rank": -0.077657, "FDA_Category_D_and_X_L1000_Similarity": -0.58181, "FDA_Category_D_and_X_Structural_Similarity": -0.346273, "FDA_Category_D_and_X_Weighted_Contribution": -0.674111, "FDA_Category_D_and_X_Top_Rank": -0.0923046, "Placenta_Crossing_L1000_Similarity": -0.518416, "Placenta_Crossing_Structural_Similarity": -0.227179, "Placenta_Crossing_Weighted_Contribution": -0.544057, "Placenta_Crossing_Top_Rank": -0.086357, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CN=CO3", "InChI_key": "MRJDBDRLINRLIW-UHFFFAOYSA-N" } }, "CID:4549": { "type": "Drug", "properties": { "id": "CID:4549", "label": "NPPB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4549", "FDA_Category_D_L1000_Similarity": -0.527523, "FDA_Category_D_Structural_Similarity": -0.527282, "FDA_Category_D_Weighted_Contribution": -0.785122, "FDA_Category_D_Top_Rank": -0.0944072, "FDA_Category_X_L1000_Similarity": -1.05311, "FDA_Category_X_Structural_Similarity": -0.631706, "FDA_Category_X_Weighted_Contribution": -1.03225, "FDA_Category_X_Top_Rank": -0.0913516, "FDA_Category_D_and_X_L1000_Similarity": -0.77454, "FDA_Category_D_and_X_Structural_Similarity": -0.759376, "FDA_Category_D_and_X_Weighted_Contribution": -1.00926, "FDA_Category_D_and_X_Top_Rank": -0.0957426, "Placenta_Crossing_L1000_Similarity": 0.340334, "Placenta_Crossing_Structural_Similarity": 0.524333, "Placenta_Crossing_Weighted_Contribution": 0.544402, "Placenta_Crossing_Top_Rank": -0.0688498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:456199": { "type": "Drug", "properties": { "id": "CID:456199", "label": "pretomanid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/456199", "FDA_Category_D_L1000_Similarity": -0.134219, "FDA_Category_D_Structural_Similarity": -0.588156, "FDA_Category_D_Weighted_Contribution": -0.664575, "FDA_Category_D_Top_Rank": -0.0932785, "FDA_Category_X_L1000_Similarity": 0.373679, "FDA_Category_X_Structural_Similarity": -0.698087, "FDA_Category_X_Weighted_Contribution": -0.571148, "FDA_Category_X_Top_Rank": -0.0841014, "FDA_Category_D_and_X_L1000_Similarity": -0.00222431, "FDA_Category_D_and_X_Structural_Similarity": -0.843512, "FDA_Category_D_and_X_Weighted_Contribution": -0.793072, "FDA_Category_D_and_X_Top_Rank": -0.0922196, "Placenta_Crossing_L1000_Similarity": 0.768636, "Placenta_Crossing_Structural_Similarity": 0.457009, "Placenta_Crossing_Weighted_Contribution": 0.701375, "Placenta_Crossing_Top_Rank": -0.0708119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F", "InChI_key": "ZLHZLMOSPGACSZ-NSHDSACASA-N" } }, "CID:456201": { "type": "Drug", "properties": { "id": "CID:456201", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/456201", "label": "ketoconazole", "ref": "LSM-5148", "FDA_Category_D_L1000_Similarity": 0.481462, "FDA_Category_D_Structural_Similarity": -0.187139, "FDA_Category_D_Weighted_Contribution": -0.0256267, "FDA_Category_D_Top_Rank": -0.085651, "FDA_Category_X_L1000_Similarity": 2.96991, "FDA_Category_X_Structural_Similarity": -0.560766, "FDA_Category_X_Weighted_Contribution": 0.84764, "FDA_Category_X_Top_Rank": 0.504171, "FDA_Category_D_and_X_L1000_Similarity": 1.31693, "FDA_Category_D_and_X_Structural_Similarity": -0.451122, "FDA_Category_D_and_X_Weighted_Contribution": 0.132188, "FDA_Category_D_and_X_Top_Rank": -0.0451033, "Placenta_Crossing_L1000_Similarity": 0.0903107, "Placenta_Crossing_Structural_Similarity": -0.281525, "Placenta_Crossing_Weighted_Contribution": -0.339366, "Placenta_Crossing_Top_Rank": -0.0872074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl", "InChI_key": "XMAYWYJOQHXEEK-OZXSUGGESA-N" } }, "CID:456214": { "type": "Drug", "properties": { "id": "CID:456214", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID456214", "label": "purvalanol a", "FDA_Category_D_L1000_Similarity": -1.46154, "FDA_Category_D_Structural_Similarity": 0.11395, "FDA_Category_D_Weighted_Contribution": -0.719033, "FDA_Category_D_Top_Rank": -0.0821817, "FDA_Category_X_L1000_Similarity": -3.13263, "FDA_Category_X_Structural_Similarity": 0.199769, "FDA_Category_X_Weighted_Contribution": -1.15577, "FDA_Category_X_Top_Rank": -0.0733061, "FDA_Category_D_and_X_L1000_Similarity": -2.2112, "FDA_Category_D_and_X_Structural_Similarity": 0.198238, "FDA_Category_D_and_X_Weighted_Contribution": -0.918875, "FDA_Category_D_and_X_Top_Rank": -0.0817059, "Placenta_Crossing_L1000_Similarity": -2.38914, "Placenta_Crossing_Structural_Similarity": 0.657294, "Placenta_Crossing_Weighted_Contribution": -0.593182, "Placenta_Crossing_Top_Rank": -0.0645259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl", "InChI_key": "PMXCMJLOPOFPBT-HNNXBMFYSA-N" } }, "CID:456389": { "type": "Drug", "properties": { "id": "CID:456389", "label": "diclazuril", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/456389", "FDA_Category_D_L1000_Similarity": -0.287644, "FDA_Category_D_Structural_Similarity": 1.07886, "FDA_Category_D_Weighted_Contribution": 0.80399, "FDA_Category_D_Top_Rank": -0.0466678, "FDA_Category_X_L1000_Similarity": -1.55976, "FDA_Category_X_Structural_Similarity": 1.45282, "FDA_Category_X_Weighted_Contribution": 0.567273, "FDA_Category_X_Top_Rank": -0.0113927, "FDA_Category_D_and_X_L1000_Similarity": -0.721628, "FDA_Category_D_and_X_Structural_Similarity": 1.64024, "FDA_Category_D_and_X_Weighted_Contribution": 1.10809, "FDA_Category_D_and_X_Top_Rank": -0.00248556, "Placenta_Crossing_L1000_Similarity": -0.903297, "Placenta_Crossing_Structural_Similarity": 1.26232, "Placenta_Crossing_Weighted_Contribution": 0.656216, "Placenta_Crossing_Top_Rank": -0.0355096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl", "InChI_key": "ZSZFUDFOPOMEET-UHFFFAOYSA-N" } }, "CID:4578": { "type": "Drug", "properties": { "id": "CID:4578", "label": "6-o-benzylguanine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4578", "FDA_Category_D_L1000_Similarity": 0.325452, "FDA_Category_D_Structural_Similarity": 2.78906, "FDA_Category_D_Weighted_Contribution": 2.89687, "FDA_Category_D_Top_Rank": 0.182558, "FDA_Category_X_L1000_Similarity": 1.33457, "FDA_Category_X_Structural_Similarity": -0.190419, "FDA_Category_X_Weighted_Contribution": 0.357831, "FDA_Category_X_Top_Rank": -0.0571848, "FDA_Category_D_and_X_L1000_Similarity": 0.685828, "FDA_Category_D_and_X_Structural_Similarity": 2.11096, "FDA_Category_D_and_X_Weighted_Contribution": 2.3961, "FDA_Category_D_and_X_Top_Rank": 0.0488573, "Placenta_Crossing_L1000_Similarity": 0.0417046, "Placenta_Crossing_Structural_Similarity": 0.887935, "Placenta_Crossing_Weighted_Contribution": 0.767184, "Placenta_Crossing_Top_Rank": -0.0557905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N", "InChI_key": "KRWMERLEINMZFT-UHFFFAOYSA-N" } }, "CID:4594": { "type": "Drug", "properties": { "id": "CID:4594", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4594", "label": "omeprazole", "FDA_Category_D_L1000_Similarity": 0.53516, "FDA_Category_D_Structural_Similarity": 1.5755, "FDA_Category_D_Weighted_Contribution": 1.86487, "FDA_Category_D_Top_Rank": -0.00914854, "FDA_Category_X_L1000_Similarity": 0.368859, "FDA_Category_X_Structural_Similarity": 0.449891, "FDA_Category_X_Weighted_Contribution": 0.526111, "FDA_Category_X_Top_Rank": -0.0639638, "FDA_Category_D_and_X_L1000_Similarity": 0.573335, "FDA_Category_D_and_X_Structural_Similarity": 1.49326, "FDA_Category_D_and_X_Weighted_Contribution": 1.72337, "FDA_Category_D_and_X_Top_Rank": -0.0157812, "Placenta_Crossing_L1000_Similarity": 1.50315, "Placenta_Crossing_Structural_Similarity": 1.68257, "Placenta_Crossing_Weighted_Contribution": 2.37125, "Placenta_Crossing_Top_Rank": -0.00366217, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC", "InChI_key": "SUBDBMMJDZJVOS-UHFFFAOYSA-N" } }, "CID:459617": { "type": "Drug", "properties": { "id": "CID:459617", "label": "brd-k70751730", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/459617", "FDA_Category_D_L1000_Similarity": -0.603442, "FDA_Category_D_Structural_Similarity": -0.673809, "FDA_Category_D_Weighted_Contribution": -0.91142, "FDA_Category_D_Top_Rank": -0.0954598, "FDA_Category_X_L1000_Similarity": -0.115381, "FDA_Category_X_Structural_Similarity": -0.561088, "FDA_Category_X_Weighted_Contribution": -0.656291, "FDA_Category_X_Top_Rank": -0.0883185, "FDA_Category_D_and_X_L1000_Similarity": -0.555219, "FDA_Category_D_and_X_Structural_Similarity": -0.837572, "FDA_Category_D_and_X_Weighted_Contribution": -0.983334, "FDA_Category_D_and_X_Top_Rank": -0.095267, "Placenta_Crossing_L1000_Similarity": 0.00419118, "Placenta_Crossing_Structural_Similarity": 1.32424, "Placenta_Crossing_Weighted_Contribution": 1.21579, "Placenta_Crossing_Top_Rank": -0.0312285, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O", "InChI_key": "JGRPKOGHYBAVMW-UHFFFAOYSA-N" } }, "CID:460612": { "type": "Drug", "properties": { "id": "CID:460612", "label": "melphalan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/460612", "FDA_Category_D_L1000_Similarity": 1.11491, "FDA_Category_D_Structural_Similarity": 2.53117, "FDA_Category_D_Weighted_Contribution": 3.05733, "FDA_Category_D_Top_Rank": 0.137135, "FDA_Category_X_L1000_Similarity": -1.1655, "FDA_Category_X_Structural_Similarity": -0.671053, "FDA_Category_X_Weighted_Contribution": -1.09019, "FDA_Category_X_Top_Rank": -0.0915036, "FDA_Category_D_and_X_L1000_Similarity": 0.607132, "FDA_Category_D_and_X_Structural_Similarity": 1.64692, "FDA_Category_D_and_X_Weighted_Contribution": 1.90135, "FDA_Category_D_and_X_Top_Rank": -0.00159724, "Placenta_Crossing_L1000_Similarity": -0.874283, "Placenta_Crossing_Structural_Similarity": 3.17924, "Placenta_Crossing_Weighted_Contribution": 2.63508, "Placenta_Crossing_Top_Rank": 0.237995, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl", "InChI_key": "SGDBTWWWUNNDEQ-LBPRGKRZSA-N" } }, "CID:46173038": { "type": "Drug", "properties": { "id": "CID:46173038", "label": "K-02288", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46173038", "FDA_Category_D_L1000_Similarity": 0.297457, "FDA_Category_D_Structural_Similarity": -0.74854, "FDA_Category_D_Weighted_Contribution": -0.595453, "FDA_Category_D_Top_Rank": -0.0888967, "FDA_Category_X_L1000_Similarity": -0.518214, "FDA_Category_X_Structural_Similarity": -0.576934, "FDA_Category_X_Weighted_Contribution": -0.817824, "FDA_Category_X_Top_Rank": -0.0900879, "FDA_Category_D_and_X_L1000_Similarity": 0.09904, "FDA_Category_D_and_X_Structural_Similarity": -0.905437, "FDA_Category_D_and_X_Weighted_Contribution": -0.796509, "FDA_Category_D_and_X_Top_Rank": -0.0913322, "Placenta_Crossing_L1000_Similarity": 0.436046, "Placenta_Crossing_Structural_Similarity": 2.92222, "Placenta_Crossing_Weighted_Contribution": 2.96878, "Placenta_Crossing_Top_Rank": 0.176536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46196517": { "type": "Drug", "properties": { "id": "CID:46196517", "label": "encenicline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46196517", "FDA_Category_D_L1000_Similarity": 0.874554, "FDA_Category_D_Structural_Similarity": -0.0352994, "FDA_Category_D_Weighted_Contribution": 0.348481, "FDA_Category_D_Top_Rank": -0.0726033, "FDA_Category_X_L1000_Similarity": 1.59609, "FDA_Category_X_Structural_Similarity": -0.687614, "FDA_Category_X_Weighted_Contribution": -0.015272, "FDA_Category_X_Top_Rank": -0.0398778, "FDA_Category_D_and_X_L1000_Similarity": 1.23858, "FDA_Category_D_and_X_Structural_Similarity": -0.399051, "FDA_Category_D_and_X_Weighted_Contribution": 0.13999, "FDA_Category_D_and_X_Top_Rank": -0.0521854, "Placenta_Crossing_L1000_Similarity": 1.38625, "Placenta_Crossing_Structural_Similarity": -0.555668, "Placenta_Crossing_Weighted_Contribution": 0.00073055, "Placenta_Crossing_Top_Rank": -0.0496758, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl", "InChI_key": "SSRDSYXGYPJKRR-ZDUSSCGKSA-N" } }, "CID:46199207": { "type": "Drug", "properties": { "id": "CID:46199207", "label": "stemregenin-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46199207", "FDA_Category_D_L1000_Similarity": -0.394304, "FDA_Category_D_Structural_Similarity": -0.654747, "FDA_Category_D_Weighted_Contribution": -0.818795, "FDA_Category_D_Top_Rank": -0.0946857, "FDA_Category_X_L1000_Similarity": -1.0879, "FDA_Category_X_Structural_Similarity": -0.377028, "FDA_Category_X_Weighted_Contribution": -0.877355, "FDA_Category_X_Top_Rank": -0.0878281, "FDA_Category_D_and_X_L1000_Similarity": -0.670265, "FDA_Category_D_and_X_Structural_Similarity": -0.723124, "FDA_Category_D_and_X_Weighted_Contribution": -0.953765, "FDA_Category_D_and_X_Top_Rank": -0.095556, "Placenta_Crossing_L1000_Similarity": -1.10627, "Placenta_Crossing_Structural_Similarity": -0.215033, "Placenta_Crossing_Weighted_Contribution": -0.752995, "Placenta_Crossing_Top_Rank": -0.0861443, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46209133": { "type": "Drug", "properties": { "id": "CID:46209133", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46209133", "label": "omarigliptin", "FDA_Category_D_L1000_Similarity": 1.1383, "FDA_Category_D_Structural_Similarity": 4.10692, "FDA_Category_D_Weighted_Contribution": 3.9258, "FDA_Category_D_Top_Rank": 0.55691, "FDA_Category_X_L1000_Similarity": -0.566562, "FDA_Category_X_Structural_Similarity": -0.657421, "FDA_Category_X_Weighted_Contribution": -0.890698, "FDA_Category_X_Top_Rank": -0.0902449, "FDA_Category_D_and_X_L1000_Similarity": 0.809178, "FDA_Category_D_and_X_Structural_Similarity": 2.90498, "FDA_Category_D_and_X_Weighted_Contribution": 3.09705, "FDA_Category_D_and_X_Top_Rank": 0.179806, "Placenta_Crossing_L1000_Similarity": 0.245174, "Placenta_Crossing_Structural_Similarity": -1.00491, "Placenta_Crossing_Weighted_Contribution": -0.823536, "Placenta_Crossing_Top_Rank": -0.0862476, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)N1C=C2CN(CC2=N1)C3CC(C(OC3)C4=C(C=CC(=C4)F)F)N", "InChI_key": "MKMPWKUAHLTIBJ-ISTRZQFTSA-N" } }, "CID:4621": { "type": "Drug", "properties": { "id": "CID:4621", "label": "oxetacaine", "lsm": "LSM-5672", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4621", "FDA_Category_D_L1000_Similarity": -0.952109, "FDA_Category_D_Structural_Similarity": 0.0542056, "FDA_Category_D_Weighted_Contribution": -0.540704, "FDA_Category_D_Top_Rank": -0.0838748, "FDA_Category_X_L1000_Similarity": -0.975663, "FDA_Category_X_Structural_Similarity": -0.378885, "FDA_Category_X_Weighted_Contribution": -0.839638, "FDA_Category_X_Top_Rank": -0.0878621, "FDA_Category_D_and_X_L1000_Similarity": -1.11702, "FDA_Category_D_and_X_Structural_Similarity": -0.161421, "FDA_Category_D_and_X_Weighted_Contribution": -0.75451, "FDA_Category_D_and_X_Top_Rank": -0.0895138, "Placenta_Crossing_L1000_Similarity": -0.999168, "Placenta_Crossing_Structural_Similarity": -0.0165737, "Placenta_Crossing_Weighted_Contribution": -0.569527, "Placenta_Crossing_Top_Rank": -0.0826447, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2", "InChI_key": "FTLDJPRFCGDUFH-UHFFFAOYSA-N" } }, "CID:46213929": { "type": "Drug", "properties": { "id": "CID:46213929", "label": "gandotinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46213929", "FDA_Category_D_L1000_Similarity": 0.351872, "FDA_Category_D_Structural_Similarity": 0.478918, "FDA_Category_D_Weighted_Contribution": 0.563898, "FDA_Category_D_Top_Rank": -0.0717354, "FDA_Category_X_L1000_Similarity": -1.06861, "FDA_Category_X_Structural_Similarity": -0.681557, "FDA_Category_X_Weighted_Contribution": -1.06747, "FDA_Category_X_Top_Rank": -0.0913733, "FDA_Category_D_and_X_L1000_Similarity": -0.0211891, "FDA_Category_D_and_X_Structural_Similarity": 0.0123581, "FDA_Category_D_and_X_Weighted_Contribution": -0.132858, "FDA_Category_D_and_X_Top_Rank": -0.0860604, "Placenta_Crossing_L1000_Similarity": -0.162217, "Placenta_Crossing_Structural_Similarity": 0.0105023, "Placenta_Crossing_Weighted_Contribution": -0.198416, "Placenta_Crossing_Top_Rank": -0.082119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F", "InChI_key": "SQSZANZGUXWJEA-UHFFFAOYSA-N" } }, "CID:46238422": { "type": "Drug", "properties": { "id": "CID:46238422", "label": "ran-27", "lsm": "LSM-35178", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46238422", "FDA_Category_D_L1000_Similarity": -0.588146, "FDA_Category_D_Structural_Similarity": -0.0646217, "FDA_Category_D_Weighted_Contribution": -0.465841, "FDA_Category_D_Top_Rank": -0.0866637, "FDA_Category_X_L1000_Similarity": -1.41593, "FDA_Category_X_Structural_Similarity": -0.428323, "FDA_Category_X_Weighted_Contribution": -1.01866, "FDA_Category_X_Top_Rank": -0.0886865, "FDA_Category_D_and_X_L1000_Similarity": -0.936978, "FDA_Category_D_and_X_Structural_Similarity": -0.282413, "FDA_Category_D_and_X_Weighted_Contribution": -0.768144, "FDA_Category_D_and_X_Top_Rank": -0.0914644, "Placenta_Crossing_L1000_Similarity": -1.19052, "Placenta_Crossing_Structural_Similarity": -0.907228, "Placenta_Crossing_Weighted_Contribution": -1.18824, "Placenta_Crossing_Top_Rank": -0.0920312, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)N3CCCC3", "InChI_key": "VBMIEGBZXCOZFQ-UHFFFAOYSA-N" } }, "CID:46239015": { "type": "Drug", "properties": { "id": "CID:46239015", "label": "mk-8776", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46239015", "FDA_Category_D_L1000_Similarity": -0.0435063, "FDA_Category_D_Structural_Similarity": 1.19381, "FDA_Category_D_Weighted_Contribution": 1.08418, "FDA_Category_D_Top_Rank": -0.0403048, "FDA_Category_X_L1000_Similarity": -0.964153, "FDA_Category_X_Structural_Similarity": 0.178208, "FDA_Category_X_Weighted_Contribution": -0.398265, "FDA_Category_X_Top_Rank": -0.0740671, "FDA_Category_D_and_X_L1000_Similarity": -0.3303, "FDA_Category_D_and_X_Structural_Similarity": 1.0437, "FDA_Category_D_and_X_Weighted_Contribution": 0.70759, "FDA_Category_D_and_X_Top_Rank": -0.0502689, "Placenta_Crossing_L1000_Similarity": -0.550969, "Placenta_Crossing_Structural_Similarity": 1.14709, "Placenta_Crossing_Weighted_Contribution": 0.723185, "Placenta_Crossing_Top_Rank": -0.0428468, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4", "InChI_key": "GMIZZEXBPRLVIV-SECBINFHSA-N" } }, "CID:46244454": { "type": "Drug", "properties": { "id": "CID:46244454", "label": "AZ-20", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46244454", "FDA_Category_D_L1000_Similarity": -0.70598, "FDA_Category_D_Structural_Similarity": -0.713495, "FDA_Category_D_Weighted_Contribution": -0.973396, "FDA_Category_D_Top_Rank": -0.0957478, "FDA_Category_X_L1000_Similarity": -1.68479, "FDA_Category_X_Structural_Similarity": -0.364206, "FDA_Category_X_Weighted_Contribution": -1.06202, "FDA_Category_X_Top_Rank": -0.0875935, "FDA_Category_D_and_X_L1000_Similarity": -1.1202, "FDA_Category_D_and_X_Structural_Similarity": -0.762834, "FDA_Category_D_and_X_Weighted_Contribution": -1.11741, "FDA_Category_D_and_X_Top_Rank": -0.0957648, "Placenta_Crossing_L1000_Similarity": -1.74454, "Placenta_Crossing_Structural_Similarity": -0.622639, "Placenta_Crossing_Weighted_Contribution": -1.18648, "Placenta_Crossing_Top_Rank": -0.0907285, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4641": { "type": "Drug", "properties": { "id": "CID:4641", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4641", "label": "oxyphenbutazone", "FDA_Category_D_L1000_Similarity": -1.68498, "FDA_Category_D_Structural_Similarity": -0.374277, "FDA_Category_D_Weighted_Contribution": -1.10842, "FDA_Category_D_Top_Rank": -0.0925719, "FDA_Category_X_L1000_Similarity": -1.93152, "FDA_Category_X_Structural_Similarity": 0.0886661, "FDA_Category_X_Weighted_Contribution": -0.847182, "FDA_Category_X_Top_Rank": -0.077465, "FDA_Category_D_and_X_L1000_Similarity": -2.03905, "FDA_Category_D_and_X_Structural_Similarity": -0.249225, "FDA_Category_D_and_X_Weighted_Contribution": -1.11818, "FDA_Category_D_and_X_Top_Rank": -0.0909499, "Placenta_Crossing_L1000_Similarity": -1.99689, "Placenta_Crossing_Structural_Similarity": 0.889375, "Placenta_Crossing_Weighted_Contribution": -0.243766, "Placenta_Crossing_Top_Rank": -0.0556564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3", "InChI_key": "HFHZKZSRXITVMK-UHFFFAOYSA-N" } }, "CID:4658599": { "type": "Drug", "properties": { "id": "CID:4658599", "label": "VU-0447134-2", "lsm": "LSM-1795", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4658599", "FDA_Category_D_L1000_Similarity": 0.317531, "FDA_Category_D_Structural_Similarity": -0.372588, "FDA_Category_D_Weighted_Contribution": -0.279691, "FDA_Category_D_Top_Rank": -0.0885976, "FDA_Category_X_L1000_Similarity": 0.64598, "FDA_Category_X_Structural_Similarity": -0.484282, "FDA_Category_X_Weighted_Contribution": -0.271443, "FDA_Category_X_Top_Rank": -0.0802746, "FDA_Category_D_and_X_L1000_Similarity": 0.46989, "FDA_Category_D_and_X_Structural_Similarity": -0.557044, "FDA_Category_D_and_X_Weighted_Contribution": -0.384176, "FDA_Category_D_and_X_Top_Rank": -0.0862442, "Placenta_Crossing_L1000_Similarity": 0.275126, "Placenta_Crossing_Structural_Similarity": -0.321301, "Placenta_Crossing_Weighted_Contribution": -0.293716, "Placenta_Crossing_Top_Rank": -0.0859267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4668801": { "type": "Drug", "properties": { "id": "CID:4668801", "label": "ite", "lsm": "LSM-3345", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4668801", "FDA_Category_D_L1000_Similarity": 0.368012, "FDA_Category_D_Structural_Similarity": 0.592149, "FDA_Category_D_Weighted_Contribution": 0.693821, "FDA_Category_D_Top_Rank": -0.0676849, "FDA_Category_X_L1000_Similarity": 0.376965, "FDA_Category_X_Structural_Similarity": -0.507254, "FDA_Category_X_Weighted_Contribution": -0.410663, "FDA_Category_X_Top_Rank": -0.0840659, "FDA_Category_D_and_X_L1000_Similarity": 0.431715, "FDA_Category_D_and_X_Structural_Similarity": 0.196284, "FDA_Category_D_and_X_Weighted_Contribution": 0.279067, "FDA_Category_D_and_X_Top_Rank": -0.0817296, "Placenta_Crossing_L1000_Similarity": 0.245851, "Placenta_Crossing_Structural_Similarity": -0.755108, "Placenta_Crossing_Weighted_Contribution": -0.649286, "Placenta_Crossing_Top_Rank": -0.0862314, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32", "InChI_key": "KDDXOGDIPZSCTM-UHFFFAOYSA-N" } }, "CID:4670": { "type": "Drug", "properties": { "id": "CID:4670", "label": "PACOCF3", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4670", "FDA_Category_D_L1000_Similarity": -0.204894, "FDA_Category_D_Structural_Similarity": -0.962168, "FDA_Category_D_Weighted_Contribution": -0.945918, "FDA_Category_D_Top_Rank": -0.0937132, "FDA_Category_X_L1000_Similarity": -0.264498, "FDA_Category_X_Structural_Similarity": -0.735112, "FDA_Category_X_Weighted_Contribution": -0.839888, "FDA_Category_X_Top_Rank": -0.0891099, "FDA_Category_D_and_X_L1000_Similarity": -0.256938, "FDA_Category_D_and_X_Structural_Similarity": -1.16035, "FDA_Category_D_and_X_Weighted_Contribution": -1.07125, "FDA_Category_D_and_X_Top_Rank": -0.0939737, "Placenta_Crossing_L1000_Similarity": -0.24875, "Placenta_Crossing_Structural_Similarity": -1.0987, "Placenta_Crossing_Weighted_Contribution": -1.03554, "Placenta_Crossing_Top_Rank": -0.0898256, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4673190": { "type": "Drug", "properties": { "id": "CID:4673190", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4673190", "label": "ganglioside", "FDA_Category_D_L1000_Similarity": 1.54549, "FDA_Category_D_Structural_Similarity": 0.352949, "FDA_Category_D_Weighted_Contribution": 1.18224, "FDA_Category_D_Top_Rank": 0.00146521, "FDA_Category_X_L1000_Similarity": 0.137495, "FDA_Category_X_Structural_Similarity": 1.74772, "FDA_Category_X_Weighted_Contribution": 1.85719, "FDA_Category_X_Top_Rank": 0.0102062, "FDA_Category_D_and_X_L1000_Similarity": 1.374, "FDA_Category_D_and_X_Structural_Similarity": 1.2232, "FDA_Category_D_and_X_Weighted_Contribution": 1.90762, "FDA_Category_D_and_X_Top_Rank": -0.0374221, "Placenta_Crossing_L1000_Similarity": 2.28503, "Placenta_Crossing_Structural_Similarity": 2.35794, "Placenta_Crossing_Weighted_Contribution": 3.23479, "Placenta_Crossing_Top_Rank": 0.148924, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=C(C(=C1Cl)OC(=O)C)Cl)OC3=C(C(=C(C=C3OC2=O)OC)C(=O)OC)C", "InChI_key": "RDBVNNMYIBVCEP-UHFFFAOYSA-N" } }, "CID:4673492": { "type": "Drug", "properties": { "id": "CID:4673492", "label": "zd-7155", "lsm": "LSM-2232", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4673492", "FDA_Category_D_L1000_Similarity": 0.78476, "FDA_Category_D_Structural_Similarity": 6.1617, "FDA_Category_D_Weighted_Contribution": 4.33486, "FDA_Category_D_Top_Rank": 2.02367, "FDA_Category_X_L1000_Similarity": 0.255197, "FDA_Category_X_Structural_Similarity": -0.373694, "FDA_Category_X_Weighted_Contribution": -0.347363, "FDA_Category_X_Top_Rank": -0.0853584, "FDA_Category_D_and_X_L1000_Similarity": 0.753975, "FDA_Category_D_and_X_Structural_Similarity": 4.68898, "FDA_Category_D_and_X_Weighted_Contribution": 3.93612, "FDA_Category_D_and_X_Top_Rank": 1.00116, "Placenta_Crossing_L1000_Similarity": 1.54977, "Placenta_Crossing_Structural_Similarity": 1.79022, "Placenta_Crossing_Weighted_Contribution": 2.49298, "Placenta_Crossing_Top_Rank": 0.0104043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC2=C(CCC(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=N1)CC", "InChI_key": "BFVNEYDCFJNLGN-UHFFFAOYSA-N" } }, "CID:4674": { "type": "Drug", "properties": { "id": "CID:4674", "label": "pamidronic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4674", "FDA_Category_D_L1000_Similarity": -0.500746, "FDA_Category_D_Structural_Similarity": 1.40222, "FDA_Category_D_Weighted_Contribution": 1.01938, "FDA_Category_D_Top_Rank": -0.0259493, "FDA_Category_X_L1000_Similarity": -0.0418208, "FDA_Category_X_Structural_Similarity": -0.493971, "FDA_Category_X_Weighted_Contribution": -0.57421, "FDA_Category_X_Top_Rank": -0.0878734, "FDA_Category_D_and_X_L1000_Similarity": -0.44435, "FDA_Category_D_and_X_Structural_Similarity": 0.846412, "FDA_Category_D_and_X_Weighted_Contribution": 0.438116, "FDA_Category_D_and_X_Top_Rank": -0.0614356, "Placenta_Crossing_L1000_Similarity": 0.442652, "Placenta_Crossing_Structural_Similarity": -0.795368, "Placenta_Crossing_Weighted_Contribution": -0.605235, "Placenta_Crossing_Top_Rank": -0.0838731, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C(CN)C(O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "WRUUGTRCQOWXEG-UHFFFAOYSA-N" } }, "CID:46740": { "type": "Drug", "properties": { "id": "CID:46740", "label": "ro-04-5595", "lsm": "LSM-1694", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46740", "FDA_Category_D_L1000_Similarity": 0.0409034, "FDA_Category_D_Structural_Similarity": -0.00781577, "FDA_Category_D_Weighted_Contribution": -0.098621, "FDA_Category_D_Top_Rank": -0.0853808, "FDA_Category_X_L1000_Similarity": 1.02715, "FDA_Category_X_Structural_Similarity": 2.02021, "FDA_Category_X_Weighted_Contribution": 2.61048, "FDA_Category_X_Top_Rank": 0.0424322, "FDA_Category_D_and_X_L1000_Similarity": 0.347187, "FDA_Category_D_and_X_Structural_Similarity": 1.0839, "FDA_Category_D_and_X_Weighted_Contribution": 1.15392, "FDA_Category_D_and_X_Top_Rank": -0.047459, "Placenta_Crossing_L1000_Similarity": 0.203163, "Placenta_Crossing_Structural_Similarity": 0.544928, "Placenta_Crossing_Weighted_Contribution": 0.493763, "Placenta_Crossing_Top_Rank": -0.0683605, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)OC", "InChI_key": "DSTWURHEHMZWEI-UHFFFAOYSA-N" } }, "CID:46780805": { "type": "Drug", "properties": { "id": "CID:46780805", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46780805", "label": "bimatoprost", "FDA_Category_D_L1000_Similarity": 1.2243, "FDA_Category_D_Structural_Similarity": -0.559998, "FDA_Category_D_Weighted_Contribution": 0.0330677, "FDA_Category_D_Top_Rank": -0.0463327, "FDA_Category_X_L1000_Similarity": 1.1057, "FDA_Category_X_Structural_Similarity": 2.75271, "FDA_Category_X_Weighted_Contribution": 3.28113, "FDA_Category_X_Top_Rank": 0.152927, "FDA_Category_D_and_X_L1000_Similarity": 1.39115, "FDA_Category_D_and_X_Structural_Similarity": 1.04087, "FDA_Category_D_and_X_Weighted_Contribution": 1.72968, "FDA_Category_D_and_X_Top_Rank": -0.037832, "Placenta_Crossing_L1000_Similarity": 1.35463, "Placenta_Crossing_Structural_Similarity": -0.483722, "Placenta_Crossing_Weighted_Contribution": 0.0532885, "Placenta_Crossing_Top_Rank": -0.0520459, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O", "InChI_key": "AQOKCDNYWBIDND-NFTGKOCPSA-N" } }, "CID:4684": { "type": "Drug", "properties": { "id": "CID:4684", "label": "parachlorophenol", "lsm": "LSM-2913", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4684", "FDA_Category_D_L1000_Similarity": -0.421473, "FDA_Category_D_Structural_Similarity": 0.306993, "FDA_Category_D_Weighted_Contribution": -0.0579296, "FDA_Category_D_Top_Rank": -0.0770181, "FDA_Category_X_L1000_Similarity": 0.79586, "FDA_Category_X_Structural_Similarity": 1.23923, "FDA_Category_X_Weighted_Contribution": 1.65662, "FDA_Category_X_Top_Rank": -0.0255122, "FDA_Category_D_and_X_L1000_Similarity": -0.121624, "FDA_Category_D_and_X_Structural_Similarity": 0.912347, "FDA_Category_D_and_X_Weighted_Contribution": 0.692537, "FDA_Category_D_and_X_Top_Rank": -0.0573642, "Placenta_Crossing_L1000_Similarity": 0.301982, "Placenta_Crossing_Structural_Similarity": 0.961144, "Placenta_Crossing_Weighted_Contribution": 0.986824, "Placenta_Crossing_Top_Rank": -0.0521249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1O)Cl", "InChI_key": "WXNZTHHGJRFXKQ-UHFFFAOYSA-N" } }, "CID:46851313": { "type": "Drug", "properties": { "id": "CID:46851313", "label": "abt-639", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46851313", "FDA_Category_D_L1000_Similarity": -0.956508, "FDA_Category_D_Structural_Similarity": 1.3536, "FDA_Category_D_Weighted_Contribution": 0.678723, "FDA_Category_D_Top_Rank": -0.0309006, "FDA_Category_X_L1000_Similarity": -1.14636, "FDA_Category_X_Structural_Similarity": -0.141688, "FDA_Category_X_Weighted_Contribution": -0.729691, "FDA_Category_X_Top_Rank": -0.0832111, "FDA_Category_D_and_X_L1000_Similarity": -1.17266, "FDA_Category_D_and_X_Structural_Similarity": 0.997918, "FDA_Category_D_and_X_Weighted_Contribution": 0.183609, "FDA_Category_D_and_X_Top_Rank": -0.0532871, "Placenta_Crossing_L1000_Similarity": -0.828009, "Placenta_Crossing_Structural_Similarity": 0.867377, "Placenta_Crossing_Weighted_Contribution": 0.290323, "Placenta_Crossing_Top_Rank": -0.0566419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F", "InChI_key": "AGPIHNZOZNKRGT-CYBMUJFWSA-N" } }, "CID:46869941": { "type": "Drug", "properties": { "id": "CID:46869941", "label": "vu-0366037-2", "lsm": "LSM-2878", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46869941", "FDA_Category_D_L1000_Similarity": 0.562636, "FDA_Category_D_Structural_Similarity": -0.598352, "FDA_Category_D_Weighted_Contribution": -0.350078, "FDA_Category_D_Top_Rank": -0.0836659, "FDA_Category_X_L1000_Similarity": 0.249615, "FDA_Category_X_Structural_Similarity": -0.506948, "FDA_Category_X_Weighted_Contribution": -0.464717, "FDA_Category_X_Top_Rank": -0.0854544, "FDA_Category_D_and_X_L1000_Similarity": 0.56081, "FDA_Category_D_and_X_Structural_Similarity": -0.748467, "FDA_Category_D_and_X_Weighted_Contribution": -0.496222, "FDA_Category_D_and_X_Top_Rank": -0.084443, "Placenta_Crossing_L1000_Similarity": 0.803753, "Placenta_Crossing_Structural_Similarity": -0.688804, "Placenta_Crossing_Weighted_Contribution": -0.377116, "Placenta_Crossing_Top_Rank": -0.0762699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)Cl", "InChI_key": "MTELUFOIWGSEFF-UHFFFAOYSA-N" } }, "CID:46869951": { "type": "Drug", "properties": { "id": "CID:46869951", "label": "vu-0400193-3", "lsm": "LSM-3884", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46869951", "FDA_Category_D_L1000_Similarity": 0.307933, "FDA_Category_D_Structural_Similarity": 1.13412, "FDA_Category_D_Weighted_Contribution": 1.24409, "FDA_Category_D_Top_Rank": -0.0439929, "FDA_Category_X_L1000_Similarity": -0.118667, "FDA_Category_X_Structural_Similarity": -0.269611, "FDA_Category_X_Weighted_Contribution": -0.419583, "FDA_Category_X_Top_Rank": -0.0859346, "FDA_Category_D_and_X_L1000_Similarity": 0.2294, "FDA_Category_D_and_X_Structural_Similarity": 0.754688, "FDA_Category_D_and_X_Weighted_Contribution": 0.73353, "FDA_Category_D_and_X_Top_Rank": -0.065243, "Placenta_Crossing_L1000_Similarity": 0.700435, "Placenta_Crossing_Structural_Similarity": -0.977806, "Placenta_Crossing_Weighted_Contribution": -0.643489, "Placenta_Crossing_Top_Rank": -0.0788554, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(CC1)CC(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=N4)Cl", "InChI_key": "YNDMAMUBWKKHPW-UHFFFAOYSA-N" } }, "CID:4687238": { "type": "Drug", "properties": { "id": "CID:4687238", "label": "l-693403", "lsm": "LSM-3875", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4687238", "FDA_Category_D_L1000_Similarity": -0.113632, "FDA_Category_D_Structural_Similarity": 0.0273867, "FDA_Category_D_Weighted_Contribution": -0.149024, "FDA_Category_D_Top_Rank": -0.0844936, "FDA_Category_X_L1000_Similarity": 0.785839, "FDA_Category_X_Structural_Similarity": -0.613225, "FDA_Category_X_Weighted_Contribution": -0.324338, "FDA_Category_X_Top_Rank": -0.0772377, "FDA_Category_D_and_X_L1000_Similarity": 0.140692, "FDA_Category_D_and_X_Structural_Similarity": -0.309157, "FDA_Category_D_and_X_Weighted_Contribution": -0.331924, "FDA_Category_D_and_X_Top_Rank": -0.0909346, "Placenta_Crossing_L1000_Similarity": 0.145221, "Placenta_Crossing_Structural_Similarity": -0.917805, "Placenta_Crossing_Weighted_Contribution": -0.799255, "Placenta_Crossing_Top_Rank": -0.0871246, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C41", "InChI_key": "GSXJSGMDWKPVBY-UHFFFAOYSA-N" } }, "CID:46893585": { "type": "Drug", "properties": { "id": "CID:46893585", "label": "AZD-3514", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46893585", "FDA_Category_D_L1000_Similarity": 0.689332, "FDA_Category_D_Structural_Similarity": 1.60261, "FDA_Category_D_Weighted_Contribution": 1.98758, "FDA_Category_D_Top_Rank": -0.00513903, "FDA_Category_X_L1000_Similarity": -1.11621, "FDA_Category_X_Structural_Similarity": 0.886189, "FDA_Category_X_Weighted_Contribution": 0.201728, "FDA_Category_X_Top_Rank": -0.0460533, "FDA_Category_D_and_X_L1000_Similarity": 0.255247, "FDA_Category_D_and_X_Structural_Similarity": 1.7502, "FDA_Category_D_and_X_Weighted_Contribution": 1.80494, "FDA_Category_D_and_X_Top_Rank": 0.00976309, "Placenta_Crossing_L1000_Similarity": -0.991837, "Placenta_Crossing_Structural_Similarity": 0.0582384, "Placenta_Crossing_Weighted_Contribution": -0.508944, "Placenta_Crossing_Top_Rank": -0.0810043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46897843": { "type": "Drug", "properties": { "id": "CID:46897843", "label": "vu-0420364-1", "lsm": "LSM-3965", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46897843", "FDA_Category_D_L1000_Similarity": -0.0523764, "FDA_Category_D_Structural_Similarity": -0.491286, "FDA_Category_D_Weighted_Contribution": -0.555196, "FDA_Category_D_Top_Rank": -0.0926471, "FDA_Category_X_L1000_Similarity": -0.310496, "FDA_Category_X_Structural_Similarity": 0.0528242, "FDA_Category_X_Weighted_Contribution": -0.218036, "FDA_Category_X_Top_Rank": -0.0785202, "FDA_Category_D_and_X_L1000_Similarity": -0.139435, "FDA_Category_D_and_X_Structural_Similarity": -0.361436, "FDA_Category_D_and_X_Weighted_Contribution": -0.500505, "FDA_Category_D_and_X_Top_Rank": -0.0924911, "Placenta_Crossing_L1000_Similarity": -0.355824, "Placenta_Crossing_Structural_Similarity": -0.13728, "Placenta_Crossing_Weighted_Contribution": -0.4073, "Placenta_Crossing_Top_Rank": -0.0849446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3", "InChI_key": "JXGIYKRRPGCLFV-QFIPXVFZSA-N" } }, "CID:46897844": { "type": "Drug", "properties": { "id": "CID:46897844", "label": "vu-0420363-1", "lsm": "LSM-3326", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46897844", "FDA_Category_D_L1000_Similarity": -1.03082, "FDA_Category_X_L1000_Similarity": 0.480661, "FDA_Category_D_and_X_L1000_Similarity": -0.742608, "Placenta_Crossing_L1000_Similarity": -0.113433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3", "InChI_key": "JXGIYKRRPGCLFV-JOCHJYFZSA-N" } }, "CID:46908929": { "type": "Drug", "properties": { "id": "CID:46908929", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46908929", "label": "tofogliflozin", "FDA_Category_D_L1000_Similarity": 0.825213, "FDA_Category_D_Structural_Similarity": 1.25483, "FDA_Category_D_Weighted_Contribution": 1.70452, "FDA_Category_D_Top_Rank": -0.0370515, "FDA_Category_X_L1000_Similarity": -0.905403, "FDA_Category_X_Structural_Similarity": -0.490421, "FDA_Category_X_Weighted_Contribution": -0.892438, "FDA_Category_X_Top_Rank": -0.0896496, "FDA_Category_D_and_X_L1000_Similarity": 0.436385, "FDA_Category_D_and_X_Structural_Similarity": 0.731345, "FDA_Category_D_and_X_Weighted_Contribution": 0.831248, "FDA_Category_D_and_X_Top_Rank": -0.06626, "Placenta_Crossing_L1000_Similarity": -0.864509, "Placenta_Crossing_Structural_Similarity": -0.0154142, "Placenta_Crossing_Weighted_Contribution": -0.516018, "Placenta_Crossing_Top_Rank": -0.0825945, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2", "InChI_key": "VWVKUNOPTJGDOB-BDHVOXNPSA-N" } }, "CID:46925839": { "type": "Drug", "properties": { "id": "CID:46925839", "label": "sd-6-035-a4", "lsm": "LSM-6778", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46925839", "FDA_Category_D_L1000_Similarity": -0.0943515, "FDA_Category_X_L1000_Similarity": 2.24356, "FDA_Category_D_and_X_L1000_Similarity": 0.599996, "Placenta_Crossing_L1000_Similarity": 0.661422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-WIZGYELTSA-N" } }, "CID:46931953": { "type": "Drug", "properties": { "id": "CID:46931953", "label": "P-22077", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46931953", "FDA_Category_D_L1000_Similarity": -0.282009, "FDA_Category_X_L1000_Similarity": -0.0265987, "FDA_Category_D_and_X_L1000_Similarity": -0.251177, "Placenta_Crossing_L1000_Similarity": -1.46979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4698": { "type": "Drug", "properties": { "id": "CID:4698", "label": "pca-4248", "lsm": "LSM-1433", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4698", "FDA_Category_D_L1000_Similarity": -0.491974, "FDA_Category_D_Structural_Similarity": 0.86717, "FDA_Category_D_Weighted_Contribution": 0.453437, "FDA_Category_D_Top_Rank": -0.0578448, "FDA_Category_X_L1000_Similarity": 0.79586, "FDA_Category_X_Structural_Similarity": 0.270129, "FDA_Category_X_Weighted_Contribution": 0.56299, "FDA_Category_X_Top_Rank": -0.0709328, "FDA_Category_D_and_X_L1000_Similarity": -0.182398, "FDA_Category_D_and_X_Structural_Similarity": 0.834045, "FDA_Category_D_and_X_Weighted_Contribution": 0.575722, "FDA_Category_D_and_X_Top_Rank": -0.0620006, "Placenta_Crossing_L1000_Similarity": -0.13471, "Placenta_Crossing_Structural_Similarity": 0.099697, "Placenta_Crossing_Weighted_Contribution": -0.106229, "Placenta_Crossing_Top_Rank": -0.0800575, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC", "InChI_key": "DHCNAWNKZMNTIS-UHFFFAOYSA-N" } }, "CID:470071": { "type": "Drug", "properties": { "id": "CID:470071", "label": "ethambutol", "lsm": "LSM-5137", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/470071", "drugcentral_id": "1073", "smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO", "IDG_ID": "1073", "FDA_Category_D_L1000_Similarity": 1.08563, "FDA_Category_D_Structural_Similarity": -0.798414, "FDA_Category_D_Weighted_Contribution": -0.258844, "FDA_Category_D_Top_Rank": -0.0595628, "FDA_Category_X_L1000_Similarity": 0.665387, "FDA_Category_X_Structural_Similarity": -0.600248, "FDA_Category_X_Weighted_Contribution": -0.366075, "FDA_Category_X_Top_Rank": -0.0799273, "FDA_Category_D_and_X_L1000_Similarity": 1.13789, "FDA_Category_D_and_X_Structural_Similarity": -0.957603, "FDA_Category_D_and_X_Weighted_Contribution": -0.405394, "FDA_Category_D_and_X_Top_Rank": -0.0601615, "Placenta_Crossing_L1000_Similarity": 1.14548, "Placenta_Crossing_Structural_Similarity": 0.859446, "Placenta_Crossing_Weighted_Contribution": 1.3392, "Placenta_Crossing_Top_Rank": -0.0568335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:4705": { "type": "Drug", "properties": { "id": "CID:4705", "label": "PD-153035", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4705", "FDA_Category_D_L1000_Similarity": -1.05725, "FDA_Category_D_Structural_Similarity": 1.38146, "FDA_Category_D_Weighted_Contribution": 0.645626, "FDA_Category_D_Top_Rank": -0.0284099, "FDA_Category_X_L1000_Similarity": 1.06094, "FDA_Category_X_Structural_Similarity": -0.420423, "FDA_Category_X_Weighted_Contribution": -0.0158598, "FDA_Category_X_Top_Rank": -0.0694692, "FDA_Category_D_and_X_L1000_Similarity": -0.589186, "FDA_Category_D_and_X_Structural_Similarity": 0.869625, "FDA_Category_D_and_X_Weighted_Contribution": 0.379636, "FDA_Category_D_and_X_Top_Rank": -0.0601135, "Placenta_Crossing_L1000_Similarity": -0.526443, "Placenta_Crossing_Structural_Similarity": -0.325273, "Placenta_Crossing_Weighted_Contribution": -0.621269, "Placenta_Crossing_Top_Rank": -0.0878536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:47099517": { "type": "Drug", "properties": { "id": "CID:47099517", "label": "arg-csc-18", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/47099517", "FDA_Category_D_L1000_Similarity": 1.71831, "FDA_Category_D_Structural_Similarity": -0.0501236, "FDA_Category_D_Weighted_Contribution": 0.85328, "FDA_Category_D_Top_Rank": 0.0471921, "FDA_Category_X_L1000_Similarity": 0.855768, "FDA_Category_X_Structural_Similarity": -0.345724, "FDA_Category_X_Weighted_Contribution": -0.0430664, "FDA_Category_X_Top_Rank": -0.0755122, "FDA_Category_D_and_X_L1000_Similarity": 1.74109, "FDA_Category_D_and_X_Structural_Similarity": -0.226335, "FDA_Category_D_and_X_Weighted_Contribution": 0.594188, "FDA_Category_D_and_X_Top_Rank": 0.0207033, "Placenta_Crossing_L1000_Similarity": 2.42261, "Placenta_Crossing_Structural_Similarity": -0.495833, "Placenta_Crossing_Weighted_Contribution": 0.582019, "Placenta_Crossing_Top_Rank": 0.222075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)C=CC(=O)NC2=NCCS2)OC", "InChI_key": "APLORVRHBLLMLD-GQCTYLIASA-N" } }, "CID:4728": { "type": "Drug", "properties": { "id": "CID:4728", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4728", "label": "penicillic-acid", "FDA_Category_D_L1000_Similarity": -1.07302, "FDA_Category_D_Structural_Similarity": -0.954595, "FDA_Category_D_Weighted_Contribution": -1.22345, "FDA_Category_D_Top_Rank": -0.0963862, "FDA_Category_X_L1000_Similarity": 0.267578, "FDA_Category_X_Structural_Similarity": -0.391483, "FDA_Category_X_Weighted_Contribution": -0.357567, "FDA_Category_X_Top_Rank": -0.085258, "FDA_Category_D_and_X_L1000_Similarity": -0.843694, "FDA_Category_D_and_X_Structural_Similarity": -0.968917, "FDA_Category_D_and_X_Weighted_Contribution": -1.14383, "FDA_Category_D_and_X_Top_Rank": -0.095984, "Placenta_Crossing_L1000_Similarity": -0.553095, "Placenta_Crossing_Structural_Similarity": -0.477759, "Placenta_Crossing_Weighted_Contribution": -0.740582, "Placenta_Crossing_Top_Rank": -0.0895014, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1(C(=CC(=O)O1)OC)O", "InChI_key": "YCOFRPYSZKIPBQ-UHFFFAOYSA-N" } }, "CID:4737": { "type": "Drug", "properties": { "id": "CID:4737", "label": "pentobarbital", "ref": "LSM-1566", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4737", "FDA_Category_D_L1000_Similarity": 0.330467, "FDA_Category_D_Structural_Similarity": -0.186392, "FDA_Category_D_Weighted_Contribution": -0.106888, "FDA_Category_D_Top_Rank": -0.0883355, "FDA_Category_X_L1000_Similarity": -0.0742802, "FDA_Category_X_Structural_Similarity": 1.56739, "FDA_Category_X_Weighted_Contribution": 1.53515, "FDA_Category_X_Top_Rank": -0.00452696, "FDA_Category_D_and_X_L1000_Similarity": 0.262311, "FDA_Category_D_and_X_Structural_Similarity": 0.697814, "FDA_Category_D_and_X_Weighted_Contribution": 0.693258, "FDA_Category_D_and_X_Top_Rank": -0.067179, "Placenta_Crossing_L1000_Similarity": 0.377401, "Placenta_Crossing_Structural_Similarity": 3.20793, "Placenta_Crossing_Weighted_Contribution": 3.15513, "Placenta_Crossing_Top_Rank": 0.248775, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC", "InChI_key": "WEXRUCMBJFQVBZ-UHFFFAOYSA-N" } }, "CID:47528": { "type": "Drug", "properties": { "id": "CID:47528", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID47528", "label": "nicorandil", "FDA_Category_D_L1000_Similarity": 0.203533, "FDA_Category_D_Structural_Similarity": -0.306336, "FDA_Category_D_Weighted_Contribution": -0.280128, "FDA_Category_D_Top_Rank": -0.0901662, "FDA_Category_X_L1000_Similarity": -0.0406045, "FDA_Category_X_Structural_Similarity": 2.40428, "FDA_Category_X_Weighted_Contribution": 2.46151, "FDA_Category_X_Top_Rank": 0.0942085, "FDA_Category_D_and_X_L1000_Similarity": 0.163125, "FDA_Category_D_and_X_Structural_Similarity": 1.0542, "FDA_Category_D_and_X_Weighted_Contribution": 1.01173, "FDA_Category_D_and_X_Top_Rank": -0.0495311, "Placenta_Crossing_L1000_Similarity": 0.262023, "Placenta_Crossing_Structural_Similarity": -0.746921, "Placenta_Crossing_Weighted_Contribution": -0.637264, "Placenta_Crossing_Top_Rank": -0.0860782, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]", "InChI_key": "LBHIOVVIQHSOQN-UHFFFAOYSA-N" } }, "CID:4756": { "type": "Drug", "properties": { "id": "CID:4756", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4756", "label": "phenazopyridine", "ref": "LSM-3705", "FDA_Category_D_L1000_Similarity": -1.08695, "FDA_Category_D_Structural_Similarity": -0.550795, "FDA_Category_D_Weighted_Contribution": -1.00962, "FDA_Category_D_Top_Rank": -0.0946231, "FDA_Category_X_L1000_Similarity": 0.978317, "FDA_Category_X_Structural_Similarity": -0.742185, "FDA_Category_X_Weighted_Contribution": -0.35321, "FDA_Category_X_Top_Rank": -0.0720569, "FDA_Category_D_and_X_L1000_Similarity": -0.639874, "FDA_Category_D_and_X_Structural_Similarity": -0.837654, "FDA_Category_D_and_X_Weighted_Contribution": -1.01086, "FDA_Category_D_and_X_Top_Rank": -0.095491, "Placenta_Crossing_L1000_Similarity": -0.393582, "Placenta_Crossing_Structural_Similarity": 1.053, "Placenta_Crossing_Weighted_Contribution": 0.708117, "Placenta_Crossing_Top_Rank": -0.0477207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "QPFYXYFORQJZEC-FOCLMDBBSA-N" } }, "CID:4768": { "type": "Drug", "properties": { "id": "CID:4768", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4768", "label": "phenoxybenzamine", "FDA_Category_D_L1000_Similarity": -0.181441, "FDA_Category_D_Structural_Similarity": 0.349818, "FDA_Category_D_Weighted_Contribution": 0.116373, "FDA_Category_D_Top_Rank": -0.0757479, "FDA_Category_X_L1000_Similarity": -1.20925, "FDA_Category_X_Structural_Similarity": -0.652204, "FDA_Category_X_Weighted_Contribution": -1.09199, "FDA_Category_X_Top_Rank": -0.0915563, "FDA_Category_D_and_X_L1000_Similarity": -0.523635, "FDA_Category_D_and_X_Structural_Similarity": -0.0742715, "FDA_Category_D_and_X_Weighted_Contribution": -0.443998, "FDA_Category_D_and_X_Top_Rank": -0.0877884, "Placenta_Crossing_L1000_Similarity": -1.03447, "Placenta_Crossing_Structural_Similarity": -0.0372601, "Placenta_Crossing_Weighted_Contribution": -0.598681, "Placenta_Crossing_Top_Rank": -0.0830214, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2", "InChI_key": "QZVCTJOXCFMACW-UHFFFAOYSA-N" } }, "CID:47811": { "type": "Drug", "properties": { "id": "CID:47811", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID47811", "label": "pergolide", "FDA_Category_D_L1000_Similarity": 0.579398, "FDA_Category_D_Structural_Similarity": -0.717276, "FDA_Category_D_Weighted_Contribution": -0.440662, "FDA_Category_D_Top_Rank": -0.0832067, "FDA_Category_X_L1000_Similarity": 1.88051, "FDA_Category_X_Structural_Similarity": 3.34073, "FDA_Category_X_Weighted_Contribution": 3.88688, "FDA_Category_X_Top_Rank": 0.291908, "FDA_Category_D_and_X_L1000_Similarity": 1.07053, "FDA_Category_D_and_X_Structural_Similarity": 1.23333, "FDA_Category_D_and_X_Weighted_Contribution": 1.74293, "FDA_Category_D_and_X_Top_Rank": -0.036969, "Placenta_Crossing_L1000_Similarity": 1.30387, "Placenta_Crossing_Structural_Similarity": -0.775187, "Placenta_Crossing_Weighted_Contribution": -0.235132, "Placenta_Crossing_Top_Rank": -0.0552148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC", "InChI_key": "YEHCICAEULNIGD-MZMPZRCHSA-N" } }, "CID:4822": { "type": "Drug", "properties": { "id": "CID:4822", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4822", "label": "pimethixene", "FDA_Category_D_L1000_Similarity": -0.437631, "FDA_Category_D_Structural_Similarity": -0.833629, "FDA_Category_D_Weighted_Contribution": -0.950713, "FDA_Category_D_Top_Rank": -0.0948858, "FDA_Category_X_L1000_Similarity": 1.09147, "FDA_Category_X_Structural_Similarity": -0.65979, "FDA_Category_X_Weighted_Contribution": -0.22821, "FDA_Category_X_Top_Rank": -0.0684128, "FDA_Category_D_and_X_L1000_Similarity": -0.0457881, "FDA_Category_D_and_X_Structural_Similarity": -1.01768, "FDA_Category_D_and_X_Weighted_Contribution": -0.920142, "FDA_Category_D_and_X_Top_Rank": -0.0925815, "Placenta_Crossing_L1000_Similarity": -0.341222, "Placenta_Crossing_Structural_Similarity": -1.08345, "Placenta_Crossing_Weighted_Contribution": -1.05345, "Placenta_Crossing_Top_Rank": -0.0902237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1", "InChI_key": "NZLVRVYNQYGMAB-UHFFFAOYSA-N" } }, "CID:48229": { "type": "Drug", "properties": { "id": "CID:48229", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID48229", "label": "talniflumate", "FDA_Category_D_L1000_Similarity": -0.118682, "FDA_Category_D_Structural_Similarity": 0.532938, "FDA_Category_D_Weighted_Contribution": 0.334876, "FDA_Category_D_Top_Rank": -0.0699579, "FDA_Category_X_L1000_Similarity": 1.40743, "FDA_Category_X_Structural_Similarity": -0.648234, "FDA_Category_X_Weighted_Contribution": -0.0686193, "FDA_Category_X_Top_Rank": -0.0528389, "FDA_Category_D_and_X_L1000_Similarity": 0.325101, "FDA_Category_D_and_X_Structural_Similarity": 0.0732157, "FDA_Category_D_and_X_Weighted_Contribution": 0.102025, "FDA_Category_D_and_X_Top_Rank": -0.0847686, "Placenta_Crossing_L1000_Similarity": 0.163655, "Placenta_Crossing_Structural_Similarity": -0.867486, "Placenta_Crossing_Weighted_Contribution": -0.758658, "Placenta_Crossing_Top_Rank": -0.0869576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F", "InChI_key": "ANMLJLFWUCQGKZ-UHFFFAOYSA-N" } }, "CID:4823": { "type": "Drug", "properties": { "id": "CID:4823", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4823", "label": "pimobendan", "FDA_Category_D_L1000_Similarity": 1.14544, "FDA_Category_D_Structural_Similarity": 1.37159, "FDA_Category_D_Weighted_Contribution": 2.02485, "FDA_Category_D_Top_Rank": -0.0298871, "FDA_Category_X_L1000_Similarity": -0.325427, "FDA_Category_X_Structural_Similarity": -0.410544, "FDA_Category_X_Weighted_Contribution": -0.620794, "FDA_Category_X_Top_Rank": -0.08839, "FDA_Category_D_and_X_L1000_Similarity": 0.88857, "FDA_Category_D_and_X_Structural_Similarity": 0.867119, "FDA_Category_D_and_X_Weighted_Contribution": 1.24681, "FDA_Category_D_and_X_Top_Rank": -0.0603528, "Placenta_Crossing_L1000_Similarity": 0.086124, "Placenta_Crossing_Structural_Similarity": -0.514972, "Placenta_Crossing_Weighted_Contribution": -0.529462, "Placenta_Crossing_Top_Rank": -0.0876523, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC", "InChI_key": "GLBJJMFZWDBELO-UHFFFAOYSA-N" } }, "CID:4837": { "type": "Drug", "properties": { "id": "CID:4837", "label": "piperazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4837", "FDA_Category_D_L1000_Similarity": 0.236321, "FDA_Category_D_Structural_Similarity": -0.807654, "FDA_Category_D_Weighted_Contribution": -0.666424, "FDA_Category_D_Top_Rank": -0.0896866, "FDA_Category_X_L1000_Similarity": -0.531975, "FDA_Category_X_Structural_Similarity": -0.604761, "FDA_Category_X_Weighted_Contribution": -0.842341, "FDA_Category_X_Top_Rank": -0.0901334, "FDA_Category_D_and_X_L1000_Similarity": 0.0421692, "FDA_Category_D_and_X_Structural_Similarity": -0.967373, "FDA_Category_D_and_X_Weighted_Contribution": -0.857732, "FDA_Category_D_and_X_Top_Rank": -0.0918176, "Placenta_Crossing_L1000_Similarity": 0.42146, "Placenta_Crossing_Structural_Similarity": 1.48626, "Placenta_Crossing_Weighted_Contribution": 1.61766, "Placenta_Crossing_Top_Rank": -0.0208615, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCN1", "InChI_key": "GLUUGHFHXGJENI-UHFFFAOYSA-N" } }, "CID:4848": { "type": "Drug", "properties": { "id": "CID:4848", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4848", "label": "pirenzepine", "FDA_Category_D_L1000_Similarity": 1.85691, "FDA_Category_D_Structural_Similarity": -0.742861, "FDA_Category_D_Weighted_Contribution": 0.215487, "FDA_Category_D_Top_Rank": 0.0983549, "FDA_Category_X_L1000_Similarity": 1.13732, "FDA_Category_X_Structural_Similarity": -0.162357, "FDA_Category_X_Weighted_Contribution": 0.283633, "FDA_Category_X_Top_Rank": -0.0668165, "FDA_Category_D_and_X_L1000_Similarity": 1.94607, "FDA_Category_D_and_X_Structural_Similarity": -0.677225, "FDA_Category_D_and_X_Weighted_Contribution": 0.254855, "FDA_Category_D_and_X_Top_Rank": 0.0758302, "Placenta_Crossing_L1000_Similarity": 0.76955, "Placenta_Crossing_Structural_Similarity": -0.898319, "Placenta_Crossing_Weighted_Contribution": -0.557674, "Placenta_Crossing_Top_Rank": -0.0771828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4", "InChI_key": "RMHMFHUVIITRHF-UHFFFAOYSA-N" } }, "CID:4879": { "type": "Drug", "properties": { "id": "CID:4879", "label": "pp-3", "lsm": "LSM-2366", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4879", "FDA_Category_D_L1000_Similarity": 0.573142, "FDA_Category_D_Structural_Similarity": -0.388435, "FDA_Category_D_Weighted_Contribution": -0.161357, "FDA_Category_D_Top_Rank": -0.0833848, "FDA_Category_X_L1000_Similarity": -0.980043, "FDA_Category_X_Structural_Similarity": 2.41338, "FDA_Category_X_Weighted_Contribution": 1.97467, "FDA_Category_X_Top_Rank": 0.0948924, "FDA_Category_D_and_X_L1000_Similarity": 0.19644, "FDA_Category_D_and_X_Structural_Similarity": 0.993943, "FDA_Category_D_and_X_Weighted_Contribution": 0.967359, "FDA_Category_D_and_X_Top_Rank": -0.0534161, "Placenta_Crossing_L1000_Similarity": 0.374853, "Placenta_Crossing_Structural_Similarity": -0.818553, "Placenta_Crossing_Weighted_Contribution": -0.647824, "Placenta_Crossing_Top_Rank": -0.0847687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)N", "InChI_key": "KKDPIZPUTYIBFX-UHFFFAOYSA-N" } }, "CID:4893": { "type": "Drug", "properties": { "id": "CID:4893", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4893", "label": "prazosin", "FDA_Category_D_L1000_Similarity": 1.49618, "FDA_Category_D_Structural_Similarity": 1.63598, "FDA_Category_D_Weighted_Contribution": 2.48768, "FDA_Category_D_Top_Rank": -0.00131662, "FDA_Category_X_L1000_Similarity": 0.829136, "FDA_Category_X_Structural_Similarity": -0.524709, "FDA_Category_X_Weighted_Contribution": -0.224713, "FDA_Category_X_Top_Rank": -0.0761974, "FDA_Category_D_and_X_L1000_Similarity": 1.54153, "FDA_Category_D_and_X_Structural_Similarity": 1.01537, "FDA_Category_D_and_X_Weighted_Contribution": 1.79069, "FDA_Category_D_and_X_Top_Rank": -0.017216, "Placenta_Crossing_L1000_Similarity": 0.957251, "Placenta_Crossing_Structural_Similarity": 0.857252, "Placenta_Crossing_Weighted_Contribution": 1.23364, "Placenta_Crossing_Top_Rank": -0.0569603, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC", "InChI_key": "IENZQIKPVFGBNW-UHFFFAOYSA-N" } }, "CID:4898145": { "type": "Drug", "properties": { "id": "CID:4898145", "label": "emf-sumo1-9", "lsm": "LSM-4833", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4898145", "FDA_Category_D_L1000_Similarity": 0.365983, "FDA_Category_D_Structural_Similarity": 2.25431, "FDA_Category_D_Weighted_Contribution": 2.44682, "FDA_Category_D_Top_Rank": 0.0969508, "FDA_Category_X_L1000_Similarity": 0.359955, "FDA_Category_X_Structural_Similarity": 1.05275, "FDA_Category_X_Weighted_Contribution": 1.19616, "FDA_Category_X_Top_Rank": -0.0380145, "FDA_Category_D_and_X_L1000_Similarity": 0.424793, "FDA_Category_D_and_X_Structural_Similarity": 2.35733, "FDA_Category_D_and_X_Weighted_Contribution": 2.48711, "FDA_Category_D_and_X_Top_Rank": 0.0833801, "Placenta_Crossing_L1000_Similarity": 0.801017, "Placenta_Crossing_Structural_Similarity": 0.19697, "Placenta_Crossing_Weighted_Contribution": 0.447911, "Placenta_Crossing_Top_Rank": -0.0763594, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(N2C3=C1C=CC=C3C4(C2=O)NC5=CC=CC=C5S4)(C)C", "InChI_key": "BFQJGJYTDOYXDQ-UHFFFAOYSA-N" } }, "CID:4910": { "type": "Drug", "properties": { "id": "CID:4910", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4910", "label": "proadifen", "FDA_Category_D_L1000_Similarity": 0.194251, "FDA_Category_D_Structural_Similarity": -0.240699, "FDA_Category_D_Weighted_Contribution": -0.227479, "FDA_Category_D_Top_Rank": -0.0902823, "FDA_Category_X_L1000_Similarity": 0.438534, "FDA_Category_X_Structural_Similarity": -0.301329, "FDA_Category_X_Weighted_Contribution": -0.198943, "FDA_Category_X_Top_Rank": -0.083283, "FDA_Category_D_and_X_L1000_Similarity": 0.30062, "FDA_Category_D_and_X_Structural_Similarity": -0.353642, "FDA_Category_D_and_X_Weighted_Contribution": -0.294031, "FDA_Category_D_and_X_Top_Rank": -0.0889041, "Placenta_Crossing_L1000_Similarity": 0.88869, "Placenta_Crossing_Structural_Similarity": -0.122143, "Placenta_Crossing_Weighted_Contribution": 0.173483, "Placenta_Crossing_Top_Rank": -0.0739461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC", "InChI_key": "SNTQPLDRUZOSDP-UHFFFAOYSA-N" } }, "CID:4911": { "type": "Drug", "properties": { "id": "CID:4911", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4911", "label": "probenecid", "FDA_Category_D_L1000_Similarity": 0.911628, "FDA_Category_D_Structural_Similarity": 0.173488, "FDA_Category_D_Weighted_Contribution": 0.587425, "FDA_Category_D_Top_Rank": -0.0708892, "FDA_Category_X_L1000_Similarity": 1.79245, "FDA_Category_X_Structural_Similarity": 1.01859, "FDA_Category_X_Weighted_Contribution": 1.96654, "FDA_Category_X_Top_Rank": -0.020211, "FDA_Category_D_and_X_L1000_Similarity": 1.33017, "FDA_Category_D_and_X_Structural_Similarity": 0.687329, "FDA_Category_D_and_X_Weighted_Contribution": 1.31935, "FDA_Category_D_and_X_Top_Rank": -0.0439707, "Placenta_Crossing_L1000_Similarity": 1.41172, "Placenta_Crossing_Structural_Similarity": 1.45061, "Placenta_Crossing_Weighted_Contribution": 2.10079, "Placenta_Crossing_Top_Rank": -0.0233292, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O", "InChI_key": "DBABZHXKTCFAPX-UHFFFAOYSA-N" } }, "CID:4913": { "type": "Drug", "properties": { "id": "CID:4913", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4913", "label": "procainamide", "FDA_Category_D_L1000_Similarity": 0.818205, "FDA_Category_D_Structural_Similarity": -0.138915, "FDA_Category_D_Weighted_Contribution": 0.211219, "FDA_Category_D_Top_Rank": -0.0750378, "FDA_Category_X_L1000_Similarity": 0.644092, "FDA_Category_X_Structural_Similarity": -0.479808, "FDA_Category_X_Weighted_Contribution": -0.268246, "FDA_Category_X_Top_Rank": -0.0803149, "FDA_Category_D_and_X_L1000_Similarity": 0.900897, "FDA_Category_D_and_X_Structural_Similarity": -0.369161, "FDA_Category_D_and_X_Weighted_Contribution": -0.0100032, "FDA_Category_D_and_X_Top_Rank": -0.0740585, "Placenta_Crossing_L1000_Similarity": 0.2121, "Placenta_Crossing_Structural_Similarity": 2.23163, "Placenta_Crossing_Weighted_Contribution": 2.27024, "Placenta_Crossing_Top_Rank": 0.0563818, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCN(CC)CCNC(=O)C1=CC=C(C=C1)N", "InChI_key": "REQCZEXYDRLIBE-UHFFFAOYSA-N" } }, "CID:4915": { "type": "Drug", "properties": { "id": "CID:4915", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4915", "label": "procarbazine", "FDA_Category_D_L1000_Similarity": 1.18423, "FDA_Category_D_Structural_Similarity": -0.897702, "FDA_Category_D_Weighted_Contribution": -0.294895, "FDA_Category_D_Top_Rank": -0.0504493, "FDA_Category_X_L1000_Similarity": 1.42988, "FDA_Category_X_Structural_Similarity": -0.743643, "FDA_Category_X_Weighted_Contribution": -0.148741, "FDA_Category_X_Top_Rank": -0.0513245, "FDA_Category_D_and_X_L1000_Similarity": 1.45506, "FDA_Category_D_and_X_Structural_Similarity": -1.11378, "FDA_Category_D_and_X_Weighted_Contribution": -0.387838, "FDA_Category_D_and_X_Top_Rank": -0.0294298, "Placenta_Crossing_L1000_Similarity": 1.98668, "Placenta_Crossing_Structural_Similarity": 1.16808, "Placenta_Crossing_Weighted_Contribution": 2.10993, "Placenta_Crossing_Top_Rank": 0.0408712, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NC(=O)C1=CC=C(C=C1)CNNC", "InChI_key": "CPTBDICYNRMXFX-UHFFFAOYSA-N" } }, "CID:4919": { "type": "Drug", "properties": { "id": "CID:4919", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4919", "label": "procyclidine", "FDA_Category_D_L1000_Similarity": -0.275425, "FDA_Category_D_Structural_Similarity": -0.74623, "FDA_Category_D_Weighted_Contribution": -0.833469, "FDA_Category_D_Top_Rank": -0.0940956, "FDA_Category_X_L1000_Similarity": 0.496582, "FDA_Category_X_Structural_Similarity": -0.491318, "FDA_Category_X_Weighted_Contribution": -0.34457, "FDA_Category_X_Top_Rank": -0.0825614, "FDA_Category_D_and_X_L1000_Similarity": -0.0866099, "FDA_Category_D_and_X_Structural_Similarity": -0.857407, "FDA_Category_D_and_X_Weighted_Contribution": -0.833366, "FDA_Category_D_and_X_Top_Rank": -0.0928895, "Placenta_Crossing_L1000_Similarity": 0.389681, "Placenta_Crossing_Structural_Similarity": -0.94214, "Placenta_Crossing_Weighted_Contribution": -0.730887, "Placenta_Crossing_Top_Rank": -0.0845864, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O", "InChI_key": "WYDUSKDSKCASEF-UHFFFAOYSA-N" } }, "CID:4927": { "type": "Drug", "properties": { "id": "CID:4927", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4927", "label": "promethazine", "FDA_Category_D_L1000_Similarity": 0.72443, "FDA_Category_D_Structural_Similarity": 1.10714, "FDA_Category_D_Weighted_Contribution": 1.48108, "FDA_Category_D_Top_Rank": -0.0452449, "FDA_Category_X_L1000_Similarity": 2.69333, "FDA_Category_X_Structural_Similarity": -0.679986, "FDA_Category_X_Weighted_Contribution": 0.562326, "FDA_Category_X_Top_Rank": 0.289123, "FDA_Category_D_and_X_L1000_Similarity": 1.44239, "FDA_Category_D_and_X_Structural_Similarity": 0.51183, "FDA_Category_D_and_X_Weighted_Contribution": 1.19878, "FDA_Category_D_and_X_Top_Rank": -0.0310903, "Placenta_Crossing_L1000_Similarity": 1.58925, "Placenta_Crossing_Structural_Similarity": -0.44007, "Placenta_Crossing_Weighted_Contribution": 0.210094, "Placenta_Crossing_Top_Rank": -0.0300008, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C", "InChI_key": "PWWVAXIEGOYWEE-UHFFFAOYSA-N" } }, "CID:4928": { "type": "Drug", "properties": { "id": "CID:4928", "label": "prometon", "lsm": "LSM-4231", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4928", "FDA_Category_D_L1000_Similarity": 0.581982, "FDA_Category_D_Structural_Similarity": -0.196287, "FDA_Category_D_Weighted_Contribution": 0.0212642, "FDA_Category_D_Top_Rank": -0.0830954, "FDA_Category_X_L1000_Similarity": -0.461256, "FDA_Category_X_Structural_Similarity": -0.390538, "FDA_Category_X_Weighted_Contribution": -0.658248, "FDA_Category_X_Top_Rank": -0.0880541, "FDA_Category_D_and_X_L1000_Similarity": 0.3616, "FDA_Category_D_and_X_Structural_Similarity": -0.366528, "FDA_Category_D_and_X_Weighted_Contribution": -0.275979, "FDA_Category_D_and_X_Top_Rank": -0.0880435, "Placenta_Crossing_L1000_Similarity": 0.638748, "Placenta_Crossing_Structural_Similarity": -0.437379, "Placenta_Crossing_Weighted_Contribution": -0.234795, "Placenta_Crossing_Top_Rank": -0.0801861, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4934": { "type": "Drug", "properties": { "id": "CID:4934", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4934", "label": "propantheline", "FDA_Category_D_L1000_Similarity": 0.297314, "FDA_Category_D_Structural_Similarity": -0.438451, "FDA_Category_D_Weighted_Contribution": -0.346246, "FDA_Category_D_Top_Rank": -0.0889002, "FDA_Category_X_L1000_Similarity": -1.1061, "FDA_Category_X_Structural_Similarity": -0.572927, "FDA_Category_X_Weighted_Contribution": -1.01212, "FDA_Category_X_Top_Rank": -0.0907654, "FDA_Category_D_and_X_L1000_Similarity": -0.0796088, "FDA_Category_D_and_X_Structural_Similarity": -0.657154, "FDA_Category_D_and_X_Weighted_Contribution": -0.694954, "FDA_Category_D_and_X_Top_Rank": -0.092839, "Placenta_Crossing_L1000_Similarity": 0.381233, "Placenta_Crossing_Structural_Similarity": -1.01502, "Placenta_Crossing_Weighted_Contribution": -0.784051, "Placenta_Crossing_Top_Rank": -0.0846868, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C", "InChI_key": "VVWYOYDLCMFIEM-UHFFFAOYSA-N" } }, "CID:49381": { "type": "Drug", "properties": { "id": "CID:49381", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID49381", "label": "fluperlapine", "FDA_Category_D_L1000_Similarity": 0.156585, "FDA_Category_D_Structural_Similarity": 0.672456, "FDA_Category_D_Weighted_Contribution": 0.647535, "FDA_Category_D_Top_Rank": -0.0651279, "FDA_Category_X_L1000_Similarity": 0.938205, "FDA_Category_X_Structural_Similarity": -0.25615, "FDA_Category_X_Weighted_Contribution": 0.0858351, "FDA_Category_X_Top_Rank": -0.0733397, "FDA_Category_D_and_X_L1000_Similarity": 0.419886, "FDA_Category_D_and_X_Structural_Similarity": 0.39552, "FDA_Category_D_and_X_Weighted_Contribution": 0.472221, "FDA_Category_D_and_X_Top_Rank": -0.0769319, "Placenta_Crossing_L1000_Similarity": 0.602723, "Placenta_Crossing_Structural_Similarity": -0.581823, "Placenta_Crossing_Weighted_Contribution": -0.372983, "Placenta_Crossing_Top_Rank": -0.0809487, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=C(CC4=CC=CC=C42)C=CC(=C3)F", "InChI_key": "OBWGMKKHCLHVIE-UHFFFAOYSA-N" } }, "CID:4967": { "type": "Drug", "properties": { "id": "CID:4967", "label": "protionamide", "lsm": "LSM-4210", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4967", "FDA_Category_D_L1000_Similarity": 0.113625, "FDA_Category_D_Structural_Similarity": -0.661272, "FDA_Category_D_Weighted_Contribution": -0.610905, "FDA_Category_D_Top_Rank": -0.0911409, "FDA_Category_X_L1000_Similarity": 0.670887, "FDA_Category_X_Structural_Similarity": 2.06517, "FDA_Category_X_Weighted_Contribution": 2.47855, "FDA_Category_X_Top_Rank": 0.0473253, "FDA_Category_D_and_X_L1000_Similarity": 0.301687, "FDA_Category_D_and_X_Structural_Similarity": 0.589496, "FDA_Category_D_and_X_Weighted_Contribution": 0.603457, "FDA_Category_D_and_X_Top_Rank": -0.0712147, "Placenta_Crossing_L1000_Similarity": 0.226681, "Placenta_Crossing_Structural_Similarity": -0.901408, "Placenta_Crossing_Weighted_Contribution": -0.76, "Placenta_Crossing_Top_Rank": -0.0863887, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=NC=CC(=C1)C(=N)S", "InChI_key": "VRDIULHPQTYCLN-UHFFFAOYSA-N" } }, "CID:49766538": { "type": "Drug", "properties": { "id": "CID:49766538", "label": "mw-ras9", "lsm": "LSM-3113", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49766538", "FDA_Category_D_L1000_Similarity": 1.35518, "FDA_Category_D_Structural_Similarity": 2.54659, "FDA_Category_D_Weighted_Contribution": 3.17205, "FDA_Category_D_Top_Rank": 0.139162, "FDA_Category_X_L1000_Similarity": 1.08576, "FDA_Category_X_Structural_Similarity": -0.738245, "FDA_Category_X_Weighted_Contribution": -0.301969, "FDA_Category_X_Top_Rank": -0.068557, "FDA_Category_D_and_X_L1000_Similarity": 1.49792, "FDA_Category_D_and_X_Structural_Similarity": 1.62291, "FDA_Category_D_and_X_Weighted_Contribution": 2.36574, "FDA_Category_D_and_X_Top_Rank": -0.00370338, "Placenta_Crossing_L1000_Similarity": 0.919657, "Placenta_Crossing_Structural_Similarity": -0.031918, "Placenta_Crossing_Weighted_Contribution": 0.277693, "Placenta_Crossing_Top_Rank": -0.0731176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br", "InChI_key": "YVZUCGVMWACAFH-UHFFFAOYSA-N" } }, "CID:49766549": { "type": "Drug", "properties": { "id": "CID:49766549", "label": "tl-hras-27", "lsm": "LSM-2330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49766549", "FDA_Category_D_L1000_Similarity": -0.762979, "FDA_Category_D_Structural_Similarity": -0.233611, "FDA_Category_D_Weighted_Contribution": -0.674582, "FDA_Category_D_Top_Rank": -0.0901662, "FDA_Category_X_L1000_Similarity": 2.53408, "FDA_Category_X_Structural_Similarity": -0.576645, "FDA_Category_X_Weighted_Contribution": 0.588147, "FDA_Category_X_Top_Rank": 0.178528, "FDA_Category_D_and_X_L1000_Similarity": 0.111849, "FDA_Category_D_and_X_Structural_Similarity": -0.496576, "FDA_Category_D_and_X_Weighted_Contribution": -0.496052, "FDA_Category_D_and_X_Top_Rank": -0.091192, "Placenta_Crossing_L1000_Similarity": 0.511191, "Placenta_Crossing_Structural_Similarity": -0.627316, "Placenta_Crossing_Weighted_Contribution": -0.447952, "Placenta_Crossing_Top_Rank": -0.0827708, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)[N+](=O)[O-]", "InChI_key": "VATZATKKARLDQT-UHFFFAOYSA-N" } }, "CID:49842983": { "type": "Drug", "properties": { "id": "CID:49842983", "label": "SD-6-035-A2", "lsm": "LSM-6814", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49842983", "FDA_Category_D_L1000_Similarity": -0.325656, "FDA_Category_X_L1000_Similarity": 0.669971, "FDA_Category_D_and_X_L1000_Similarity": -0.077254, "Placenta_Crossing_L1000_Similarity": 0.237913, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:49843106": { "type": "Drug", "properties": { "id": "CID:49843106", "label": "arg-csc-26", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843106", "FDA_Category_D_L1000_Similarity": 1.11192, "FDA_Category_D_Structural_Similarity": 0.0423253, "FDA_Category_D_Weighted_Contribution": 0.572816, "FDA_Category_D_Top_Rank": -0.0572661, "FDA_Category_X_L1000_Similarity": 0.196605, "FDA_Category_X_Structural_Similarity": -0.403935, "FDA_Category_X_Weighted_Contribution": -0.399384, "FDA_Category_X_Top_Rank": -0.0859877, "FDA_Category_D_and_X_L1000_Similarity": 1.0182, "FDA_Category_D_and_X_Structural_Similarity": -0.184367, "FDA_Category_D_and_X_Weighted_Contribution": 0.228154, "FDA_Category_D_and_X_Top_Rank": -0.0679677, "Placenta_Crossing_L1000_Similarity": 0.618427, "Placenta_Crossing_Structural_Similarity": -0.450058, "Placenta_Crossing_Weighted_Contribution": -0.254735, "Placenta_Crossing_Top_Rank": -0.0806249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CSC(=N1)NC(=O)C=CC2=CC=C(C=C2)C3=CC=CC=C3", "InChI_key": "DXSRNEOKADYVEY-DHZHZOJOSA-N" } }, "CID:49843144": { "type": "Drug", "properties": { "id": "CID:49843144", "label": "sd-6-035-b2", "lsm": "LSM-6808", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843144", "FDA_Category_D_L1000_Similarity": 0.671514, "FDA_Category_X_L1000_Similarity": 1.50581, "FDA_Category_D_and_X_L1000_Similarity": 1.03615, "Placenta_Crossing_L1000_Similarity": 1.06637, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-FILQNJKGSA-N" } }, "CID:49843158": { "type": "Drug", "properties": { "id": "CID:49843158", "label": "SD-6-035-A10", "lsm": "LSM-6815", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843158", "FDA_Category_D_L1000_Similarity": 0.310888, "FDA_Category_X_L1000_Similarity": 0.408571, "FDA_Category_D_and_X_L1000_Similarity": 0.392063, "Placenta_Crossing_L1000_Similarity": 0.489382, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:49843318": { "type": "Drug", "properties": { "id": "CID:49843318", "label": "sd-6-035-a11", "lsm": "LSM-6802", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843318", "FDA_Category_D_L1000_Similarity": 0.758078, "FDA_Category_X_L1000_Similarity": 0.490881, "FDA_Category_D_and_X_L1000_Similarity": 0.802549, "Placenta_Crossing_L1000_Similarity": 0.100415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-PKWXPSSRSA-N" } }, "CID:49849931": { "type": "Drug", "properties": { "id": "CID:49849931", "label": "cam-9-026", "lsm": "LSM-4048", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49849931", "FDA_Category_D_L1000_Similarity": -0.761711, "FDA_Category_D_Structural_Similarity": 0.564063, "FDA_Category_D_Weighted_Contribution": -0.00379839, "FDA_Category_D_Top_Rank": -0.0688897, "FDA_Category_X_L1000_Similarity": 0.181682, "FDA_Category_X_Structural_Similarity": 0.0790416, "FDA_Category_X_Weighted_Contribution": 0.0426394, "FDA_Category_X_Top_Rank": -0.0777404, "FDA_Category_D_and_X_L1000_Similarity": -0.601426, "FDA_Category_D_and_X_Structural_Similarity": 0.490355, "FDA_Category_D_and_X_Weighted_Contribution": 0.00606269, "FDA_Category_D_and_X_Top_Rank": -0.0741896, "Placenta_Crossing_L1000_Similarity": -0.0344293, "Placenta_Crossing_Structural_Similarity": 0.40219, "Placenta_Crossing_Weighted_Contribution": 0.228324, "Placenta_Crossing_Top_Rank": -0.0724304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)COC(=O)C(C)(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "JYLJYHDOXFQHEK-WVEXKQSWSA-N" } }, "CID:49849932": { "type": "Drug", "properties": { "id": "CID:49849932", "label": "dm-163", "lsm": "LSM-2113", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49849932", "FDA_Category_D_L1000_Similarity": 1.6835, "FDA_Category_D_Structural_Similarity": 0.0295274, "FDA_Category_D_Weighted_Contribution": 0.917489, "FDA_Category_D_Top_Rank": 0.034906, "FDA_Category_X_L1000_Similarity": 0.686436, "FDA_Category_X_Structural_Similarity": 0.359531, "FDA_Category_X_Weighted_Contribution": 0.600851, "FDA_Category_X_Top_Rank": -0.0672924, "FDA_Category_D_and_X_L1000_Similarity": 1.65966, "FDA_Category_D_and_X_Structural_Similarity": 0.217438, "FDA_Category_D_and_X_Weighted_Contribution": 1.01403, "FDA_Category_D_and_X_Top_Rank": 0.00231168, "Placenta_Crossing_L1000_Similarity": 1.19148, "Placenta_Crossing_Structural_Similarity": 0.0303993, "Placenta_Crossing_Weighted_Contribution": 0.480232, "Placenta_Crossing_Top_Rank": -0.0622516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CO)C)CN(C)C(=O)OCCOC", "InChI_key": "MCHAAKXTOWCWGS-DUXAABNJSA-N" } }, "CID:49850262": { "type": "Drug", "properties": { "id": "CID:49850262", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID49850262", "label": "tubastatin-a", "FDA_Category_D_L1000_Similarity": 0.0984041, "FDA_Category_D_Structural_Similarity": -0.0606182, "FDA_Category_D_Weighted_Contribution": -0.116146, "FDA_Category_D_Top_Rank": -0.0865925, "FDA_Category_X_L1000_Similarity": 0.885922, "FDA_Category_X_Structural_Similarity": -0.0119893, "FDA_Category_X_Weighted_Contribution": 0.309324, "FDA_Category_X_Top_Rank": -0.0748615, "FDA_Category_D_and_X_L1000_Similarity": 0.353856, "FDA_Category_D_and_X_Structural_Similarity": -0.0545828, "FDA_Category_D_and_X_Weighted_Contribution": -0.00267893, "FDA_Category_D_and_X_Top_Rank": -0.0873764, "Placenta_Crossing_L1000_Similarity": 0.127421, "Placenta_Crossing_Structural_Similarity": 1.51057, "Placenta_Crossing_Weighted_Contribution": 1.48419, "Placenta_Crossing_Top_Rank": -0.0191627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO", "InChI_key": "GOVYBPLHWIEHEJ-UHFFFAOYSA-N" } }, "CID:49867926": { "type": "Drug", "properties": { "id": "CID:49867926", "label": "SAR-245409", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49867926", "FDA_Category_D_L1000_Similarity": 0.458743, "FDA_Category_D_Structural_Similarity": -0.914453, "FDA_Category_D_Weighted_Contribution": -0.649124, "FDA_Category_D_Top_Rank": -0.0860717, "FDA_Category_X_L1000_Similarity": 2.06072, "FDA_Category_X_Structural_Similarity": -0.63943, "FDA_Category_X_Weighted_Contribution": 0.26801, "FDA_Category_X_Top_Rank": 0.0208806, "FDA_Category_D_and_X_L1000_Similarity": 1.02124, "FDA_Category_D_and_X_Structural_Similarity": -1.07085, "FDA_Category_D_and_X_Weighted_Contribution": -0.545724, "FDA_Category_D_and_X_Top_Rank": -0.0678818, "Placenta_Crossing_L1000_Similarity": 2.012, "Placenta_Crossing_Structural_Similarity": -0.911902, "Placenta_Crossing_Weighted_Contribution": -0.0353195, "Placenta_Crossing_Top_Rank": 0.0472324, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4988454": { "type": "Drug", "properties": { "id": "CID:4988454", "label": "z-160", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4988454", "FDA_Category_D_L1000_Similarity": -0.886899, "FDA_Category_D_Structural_Similarity": -0.703297, "FDA_Category_D_Weighted_Contribution": -1.03037, "FDA_Category_D_Top_Rank": -0.095871, "FDA_Category_X_L1000_Similarity": -0.422624, "FDA_Category_X_Structural_Similarity": -0.753388, "FDA_Category_X_Weighted_Contribution": -0.906919, "FDA_Category_X_Top_Rank": -0.0897553, "FDA_Category_D_and_X_L1000_Similarity": -0.892865, "FDA_Category_D_and_X_Structural_Similarity": -0.964741, "FDA_Category_D_and_X_Weighted_Contribution": -1.15571, "FDA_Category_D_and_X_Top_Rank": -0.0960672, "Placenta_Crossing_L1000_Similarity": 0.52918, "Placenta_Crossing_Structural_Similarity": 1.51995, "Placenta_Crossing_Weighted_Contribution": 1.71126, "Placenta_Crossing_Top_Rank": -0.0183441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5", "InChI_key": "VCPMZDWBEWTGNW-UHFFFAOYSA-N" } }, "CID:5014": { "type": "Drug", "properties": { "id": "CID:5014", "label": "qx-222", "lsm": "LSM-2905", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5014", "FDA_Category_D_L1000_Similarity": 0.434849, "FDA_Category_D_Structural_Similarity": 0.874674, "FDA_Category_D_Weighted_Contribution": 1.04156, "FDA_Category_D_Top_Rank": -0.0574121, "FDA_Category_X_L1000_Similarity": -0.171068, "FDA_Category_X_Structural_Similarity": 1.93353, "FDA_Category_X_Weighted_Contribution": 1.89201, "FDA_Category_X_Top_Rank": 0.0326216, "FDA_Category_D_and_X_L1000_Similarity": 0.322896, "FDA_Category_D_and_X_Structural_Similarity": 1.73757, "FDA_Category_D_and_X_Weighted_Contribution": 1.831, "FDA_Category_D_and_X_Top_Rank": 0.00844885, "Placenta_Crossing_L1000_Similarity": 1.20055, "Placenta_Crossing_Structural_Similarity": 1.10558, "Placenta_Crossing_Weighted_Contribution": 1.63314, "Placenta_Crossing_Top_Rank": -0.045292, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C", "InChI_key": "QYUXPWDVDMSTKR-UHFFFAOYSA-O" } }, "CID:5023925": { "type": "Drug", "properties": { "id": "CID:5023925", "label": "butabindide", "lsm": "LSM-1660", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5023925", "FDA_Category_D_L1000_Similarity": 0.84281, "FDA_Category_D_Structural_Similarity": -0.00645247, "FDA_Category_D_Weighted_Contribution": 0.358929, "FDA_Category_D_Top_Rank": -0.0740857, "FDA_Category_X_L1000_Similarity": 1.15446, "FDA_Category_X_Structural_Similarity": 1.28609, "FDA_Category_X_Weighted_Contribution": 1.90954, "FDA_Category_X_Top_Rank": -0.0216346, "FDA_Category_D_and_X_L1000_Similarity": 1.0771, "FDA_Category_D_and_X_Structural_Similarity": 0.688846, "FDA_Category_D_and_X_Weighted_Contribution": 1.16904, "FDA_Category_D_and_X_Top_Rank": -0.0644814, "Placenta_Crossing_L1000_Similarity": 1.28114, "Placenta_Crossing_Structural_Similarity": 2.03184, "Placenta_Crossing_Weighted_Contribution": 2.58767, "Placenta_Crossing_Top_Rank": 0.0353721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCNC(=O)C1CC2=CC=CC=C2N1C(=O)C(CC)N", "InChI_key": "HAQIRIMIVLFYIX-UHFFFAOYSA-N" } }, "CID:5024764": { "type": "Drug", "properties": { "id": "CID:5024764", "label": "cgp-7930", "lsm": "LSM-3466", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5024764", "FDA_Category_D_L1000_Similarity": 0.542658, "FDA_Category_D_Structural_Similarity": -0.518382, "FDA_Category_D_Weighted_Contribution": -0.291769, "FDA_Category_D_Top_Rank": -0.0841736, "FDA_Category_X_L1000_Similarity": 0.902796, "FDA_Category_X_Structural_Similarity": -0.577903, "FDA_Category_X_Weighted_Contribution": -0.239691, "FDA_Category_X_Top_Rank": -0.0742966, "FDA_Category_D_and_X_L1000_Similarity": 0.741948, "FDA_Category_D_and_X_Structural_Similarity": -0.723281, "FDA_Category_D_and_X_Weighted_Contribution": -0.395361, "FDA_Category_D_and_X_Top_Rank": -0.0798625, "Placenta_Crossing_L1000_Similarity": 0.12468, "Placenta_Crossing_Structural_Similarity": -0.441397, "Placenta_Crossing_Weighted_Contribution": -0.456099, "Placenta_Crossing_Top_Rank": -0.0873248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO", "InChI_key": "XLWJPQQFJNGUPA-UHFFFAOYSA-N" } }, "CID:5040063": { "type": "Drug", "properties": { "id": "CID:5040063", "label": "ppt", "lsm": "LSM-1978", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5040063", "FDA_Category_D_L1000_Similarity": 0.324348, "FDA_Category_D_Structural_Similarity": -0.223374, "FDA_Category_D_Weighted_Contribution": -0.14385, "FDA_Category_D_Top_Rank": -0.0884452, "FDA_Category_X_L1000_Similarity": 0.308116, "FDA_Category_X_Structural_Similarity": -0.551256, "FDA_Category_X_Weighted_Contribution": -0.477362, "FDA_Category_X_Top_Rank": -0.0848524, "FDA_Category_D_and_X_L1000_Similarity": 0.373169, "FDA_Category_D_and_X_Structural_Similarity": -0.47475, "FDA_Category_D_and_X_Weighted_Contribution": -0.361149, "FDA_Category_D_and_X_Top_Rank": -0.087849, "Placenta_Crossing_L1000_Similarity": -0.00537527, "Placenta_Crossing_Structural_Similarity": -0.747637, "Placenta_Crossing_Weighted_Contribution": -0.735018, "Placenta_Crossing_Top_Rank": -0.0883961, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O", "InChI_key": "IOTXSIGGFRQYKW-UHFFFAOYSA-N" } }, "CID:5053": { "type": "Drug", "properties": { "id": "CID:5053", "label": "resmethrin", "lsm": "LSM-1846", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5053", "FDA_Category_D_L1000_Similarity": 0.592858, "FDA_Category_D_Structural_Similarity": -0.469086, "FDA_Category_D_Weighted_Contribution": -0.223036, "FDA_Category_D_Top_Rank": -0.082819, "FDA_Category_X_L1000_Similarity": 0.568317, "FDA_Category_X_Structural_Similarity": 0.557678, "FDA_Category_X_Weighted_Contribution": 0.754468, "FDA_Category_X_Top_Rank": -0.0594453, "FDA_Category_D_and_X_L1000_Similarity": 0.683639, "FDA_Category_D_and_X_Structural_Similarity": -0.0713991, "FDA_Category_D_and_X_Weighted_Contribution": 0.155893, "FDA_Category_D_and_X_Top_Rank": -0.0816343, "Placenta_Crossing_L1000_Similarity": 0.778283, "Placenta_Crossing_Structural_Similarity": -0.0576741, "Placenta_Crossing_Weighted_Contribution": 0.181722, "Placenta_Crossing_Top_Rank": -0.0769575, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C", "InChI_key": "VEMKTZHHVJILDY-UHFFFAOYSA-N" } }, "CID:50599": { "type": "Drug", "properties": { "id": "CID:50599", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50599", "label": "didanosine", "ref": "LSM-6017", "FDA_Category_D_L1000_Similarity": 0.488374, "FDA_Category_D_Structural_Similarity": 1.15572, "FDA_Category_D_Weighted_Contribution": 1.38331, "FDA_Category_D_Top_Rank": -0.0426857, "FDA_Category_X_L1000_Similarity": 0.639191, "FDA_Category_X_Structural_Similarity": -0.703673, "FDA_Category_X_Weighted_Contribution": -0.466217, "FDA_Category_X_Top_Rank": -0.080412, "FDA_Category_D_and_X_L1000_Similarity": 0.615097, "FDA_Category_D_and_X_Structural_Similarity": 0.537611, "FDA_Category_D_and_X_Weighted_Contribution": 0.732619, "FDA_Category_D_and_X_Top_Rank": -0.0727591, "Placenta_Crossing_L1000_Similarity": 0.733928, "Placenta_Crossing_Structural_Similarity": 0.1908, "Placenta_Crossing_Weighted_Contribution": 0.406905, "Placenta_Crossing_Top_Rank": -0.0780079, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1CC(OC1CO)N2C=NC3=C2NC=NC3=O", "InChI_key": "BXZVVICBKDXVGW-NKWVEPMBSA-N" } }, "CID:5065494": { "type": "Drug", "properties": { "id": "CID:5065494", "label": "k784-3391", "lsm": "LSM-4920", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5065494", "FDA_Category_D_L1000_Similarity": 1.09959, "FDA_Category_X_L1000_Similarity": 1.0788, "FDA_Category_D_and_X_L1000_Similarity": 1.27548, "Placenta_Crossing_L1000_Similarity": 1.04935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCC1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4", "InChI_key": "ZQGXJOXUZPMWBO-UHFFFAOYSA-N" } }, "CID:5074": { "type": "Drug", "properties": { "id": "CID:5074", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5074", "label": "ritanserin", "FDA_Category_D_L1000_Similarity": -0.808575, "FDA_Category_D_Structural_Similarity": 0.463317, "FDA_Category_D_Weighted_Contribution": -0.122698, "FDA_Category_D_Top_Rank": -0.0723414, "FDA_Category_X_L1000_Similarity": 1.12604, "FDA_Category_X_Structural_Similarity": -0.15279, "FDA_Category_X_Weighted_Contribution": 0.28773, "FDA_Category_X_Top_Rank": -0.0671178, "FDA_Category_D_and_X_L1000_Similarity": -0.355037, "FDA_Category_D_and_X_Structural_Similarity": 0.285296, "FDA_Category_D_and_X_Weighted_Contribution": -0.0554968, "FDA_Category_D_and_X_Top_Rank": -0.0797402, "Placenta_Crossing_L1000_Similarity": 0.319551, "Placenta_Crossing_Structural_Similarity": -0.263478, "Placenta_Crossing_Weighted_Contribution": -0.224359, "Placenta_Crossing_Top_Rank": -0.0854214, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3", "InChI_key": "JUQLTPCYUFPYKE-UHFFFAOYSA-N" } }, "CID:50904129": { "type": "Drug", "properties": { "id": "CID:50904129", "label": "arg-csc2-40", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50904129", "FDA_Category_D_L1000_Similarity": -0.0594797, "FDA_Category_D_Structural_Similarity": -0.148758, "FDA_Category_D_Weighted_Contribution": -0.277039, "FDA_Category_D_Top_Rank": -0.0885163, "FDA_Category_X_L1000_Similarity": 1.88621, "FDA_Category_X_Structural_Similarity": -0.430534, "FDA_Category_X_Weighted_Contribution": 0.395934, "FDA_Category_X_Top_Rank": -0.00779172, "FDA_Category_D_and_X_L1000_Similarity": 0.521529, "FDA_Category_D_and_X_Structural_Similarity": -0.350386, "FDA_Category_D_and_X_Weighted_Contribution": -0.184599, "FDA_Category_D_and_X_Top_Rank": -0.0852555, "Placenta_Crossing_L1000_Similarity": -0.0964661, "Placenta_Crossing_Structural_Similarity": -0.29831, "Placenta_Crossing_Weighted_Contribution": -0.431239, "Placenta_Crossing_Top_Rank": -0.0874726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CSC(=N1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3F", "InChI_key": "RGUDQFXDXGWERA-UHFFFAOYSA-N" } }, "CID:50997747": { "type": "Drug", "properties": { "id": "CID:50997747", "label": "DMH1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50997747", "FDA_Category_D_L1000_Similarity": 0.621009, "FDA_Category_X_L1000_Similarity": -0.217434, "FDA_Category_D_and_X_L1000_Similarity": 0.469281, "Placenta_Crossing_L1000_Similarity": -0.217014, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51038269": { "type": "Drug", "properties": { "id": "CID:51038269", "label": "GZD-824", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51038269", "FDA_Category_D_L1000_Similarity": -0.285233, "FDA_Category_D_Structural_Similarity": -0.562156, "FDA_Category_D_Weighted_Contribution": -0.709926, "FDA_Category_D_Top_Rank": -0.0941619, "FDA_Category_X_L1000_Similarity": -0.155447, "FDA_Category_X_Structural_Similarity": 2.89842, "FDA_Category_X_Weighted_Contribution": 2.87869, "FDA_Category_X_Top_Rank": 0.190293, "FDA_Category_D_and_X_L1000_Similarity": -0.293082, "FDA_Category_D_and_X_Structural_Similarity": 1.11778, "FDA_Category_D_and_X_Weighted_Contribution": 0.807483, "FDA_Category_D_and_X_Top_Rank": -0.0447503, "Placenta_Crossing_L1000_Similarity": 0.624398, "Placenta_Crossing_Structural_Similarity": -0.883304, "Placenta_Crossing_Weighted_Contribution": -0.602043, "Placenta_Crossing_Top_Rank": -0.0805143, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51039": { "type": "Drug", "properties": { "id": "CID:51039", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID51039", "label": "cefaclor", "FDA_Category_D_L1000_Similarity": 0.511809, "FDA_Category_D_Structural_Similarity": 1.45785, "FDA_Category_D_Weighted_Contribution": 1.72539, "FDA_Category_D_Top_Rank": -0.021795, "FDA_Category_X_L1000_Similarity": -0.0780744, "FDA_Category_X_Structural_Similarity": 0.0944591, "FDA_Category_X_Weighted_Contribution": -0.0692567, "FDA_Category_X_Top_Rank": -0.0773088, "FDA_Category_D_and_X_L1000_Similarity": 0.417483, "FDA_Category_D_and_X_Structural_Similarity": 1.20808, "FDA_Category_D_and_X_Weighted_Contribution": 1.32911, "FDA_Category_D_and_X_Top_Rank": -0.0385281, "Placenta_Crossing_L1000_Similarity": 0.711743, "Placenta_Crossing_Structural_Similarity": 4.68619, "Placenta_Crossing_Weighted_Contribution": 3.95546, "Placenta_Crossing_Top_Rank": 0.775024, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl", "InChI_key": "QYIYFLOTGYLRGG-GPCCPHFNSA-N" } }, "CID:51039095": { "type": "Drug", "properties": { "id": "CID:51039095", "label": "azd-4547", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51039095", "FDA_Category_D_L1000_Similarity": -0.878115, "FDA_Category_D_Structural_Similarity": 0.149683, "FDA_Category_D_Weighted_Contribution": -0.429661, "FDA_Category_D_Top_Rank": -0.0812142, "FDA_Category_X_L1000_Similarity": 1.24658, "FDA_Category_X_Structural_Similarity": -0.533405, "FDA_Category_X_Weighted_Contribution": -0.0354175, "FDA_Category_X_Top_Rank": -0.0619054, "FDA_Category_D_and_X_L1000_Similarity": -0.378388, "FDA_Category_D_and_X_Structural_Similarity": -0.169017, "FDA_Category_D_and_X_Weighted_Contribution": -0.454591, "FDA_Category_D_and_X_Top_Rank": -0.0896682, "Placenta_Crossing_L1000_Similarity": -1.0185, "Placenta_Crossing_Structural_Similarity": -0.274794, "Placenta_Crossing_Weighted_Contribution": -0.763488, "Placenta_Crossing_Top_Rank": -0.087092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC(N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC", "InChI_key": "VRQMAABPASPXMW-HDICACEKSA-N" } }, "CID:5104": { "type": "Drug", "properties": { "id": "CID:5104", "label": "roxarsone", "lsm": "LSM-5383", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5104", "FDA_Category_D_L1000_Similarity": 0.0141139, "FDA_Category_D_Structural_Similarity": 1.11924, "FDA_Category_D_Weighted_Contribution": 1.03958, "FDA_Category_D_Top_Rank": -0.0450693, "FDA_Category_X_L1000_Similarity": 0.241817, "FDA_Category_X_Structural_Similarity": 0.373361, "FDA_Category_X_Weighted_Contribution": 0.375788, "FDA_Category_X_Top_Rank": -0.0669235, "FDA_Category_D_and_X_L1000_Similarity": 0.0856145, "FDA_Category_D_and_X_Structural_Similarity": 1.08982, "FDA_Category_D_and_X_Weighted_Contribution": 1.00338, "FDA_Category_D_and_X_Top_Rank": -0.0472429, "Placenta_Crossing_L1000_Similarity": 0.137831, "Placenta_Crossing_Structural_Similarity": 1.21516, "Placenta_Crossing_Weighted_Contribution": 1.17115, "Placenta_Crossing_Top_Rank": -0.0388883, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O", "InChI_key": "XMVJITFPVVRMHC-UHFFFAOYSA-N" } }, "CID:5126051": { "type": "Drug", "properties": { "id": "CID:5126051", "label": "cpccoet", "lsm": "LSM-1360", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5126051", "FDA_Category_D_L1000_Similarity": 0.256915, "FDA_Category_D_Structural_Similarity": -0.00295465, "FDA_Category_D_Weighted_Contribution": 0.0240908, "FDA_Category_D_Top_Rank": -0.085276, "FDA_Category_X_L1000_Similarity": -1.34767, "FDA_Category_X_Structural_Similarity": 0.97219, "FDA_Category_X_Weighted_Contribution": 0.171207, "FDA_Category_X_Top_Rank": -0.0424936, "FDA_Category_D_and_X_L1000_Similarity": -0.187803, "FDA_Category_D_and_X_Structural_Similarity": 0.522244, "FDA_Category_D_and_X_Weighted_Contribution": 0.258084, "FDA_Category_D_and_X_Top_Rank": -0.0731688, "Placenta_Crossing_L1000_Similarity": 1.04561, "Placenta_Crossing_Structural_Similarity": 0.223377, "Placenta_Crossing_Weighted_Contribution": 0.603566, "Placenta_Crossing_Top_Rank": -0.0687694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C12CC1C(=NO)C3=CC=CC=C3O2", "InChI_key": "FXCTZFMSAHZQTR-UHFFFAOYSA-N" } }, "CID:5163": { "type": "Drug", "properties": { "id": "CID:5163", "label": "sb-206553", "lsm": "LSM-2800", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5163", "FDA_Category_D_L1000_Similarity": 1.00167, "FDA_Category_D_Structural_Similarity": -0.0175231, "FDA_Category_D_Weighted_Contribution": 0.443053, "FDA_Category_D_Top_Rank": -0.0652532, "FDA_Category_X_L1000_Similarity": 0.0439206, "FDA_Category_X_Structural_Similarity": 0.279259, "FDA_Category_X_Weighted_Contribution": 0.174706, "FDA_Category_X_Top_Rank": -0.0705639, "FDA_Category_D_and_X_L1000_Similarity": 0.876788, "FDA_Category_D_and_X_Structural_Similarity": 0.136779, "FDA_Category_D_and_X_Weighted_Contribution": 0.469556, "FDA_Category_D_and_X_Top_Rank": -0.0750478, "Placenta_Crossing_L1000_Similarity": 0.943853, "Placenta_Crossing_Structural_Similarity": 0.033665, "Placenta_Crossing_Weighted_Contribution": 0.355637, "Placenta_Crossing_Top_Rank": -0.0724056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21", "InChI_key": "QJQORSLQNXDVGE-UHFFFAOYSA-N" } }, "CID:5175": { "type": "Drug", "properties": { "id": "CID:5175", "label": "sc-10", "lsm": "LSM-2092", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5175", "FDA_Category_D_L1000_Similarity": 0.37468, "FDA_Category_D_Structural_Similarity": -0.875436, "FDA_Category_D_Weighted_Contribution": -0.656676, "FDA_Category_D_Top_Rank": -0.0876075, "FDA_Category_X_L1000_Similarity": -0.24087, "FDA_Category_X_Structural_Similarity": -0.573755, "FDA_Category_X_Weighted_Contribution": -0.713917, "FDA_Category_X_Top_Rank": -0.0890098, "FDA_Category_D_and_X_L1000_Similarity": 0.249834, "FDA_Category_D_and_X_Structural_Similarity": -1.00444, "FDA_Category_D_and_X_Weighted_Contribution": -0.80611, "FDA_Category_D_and_X_Top_Rank": -0.0896087, "Placenta_Crossing_L1000_Similarity": 0.530109, "Placenta_Crossing_Structural_Similarity": -0.788816, "Placenta_Crossing_Weighted_Contribution": -0.566809, "Placenta_Crossing_Top_Rank": -0.0824096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl", "InChI_key": "MJMJERJFCHYXEM-UHFFFAOYSA-N" } }, "CID:5191": { "type": "Drug", "properties": { "id": "CID:5191", "label": "sdz-205-557", "lsm": "LSM-2348", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5191", "FDA_Category_D_L1000_Similarity": 0.280224, "FDA_Category_D_Structural_Similarity": -0.397352, "FDA_Category_D_Weighted_Contribution": -0.319807, "FDA_Category_D_Top_Rank": -0.0891361, "FDA_Category_X_L1000_Similarity": 0.00292884, "FDA_Category_X_Structural_Similarity": -0.564939, "FDA_Category_X_Weighted_Contribution": -0.612966, "FDA_Category_X_Top_Rank": -0.0875856, "FDA_Category_D_and_X_L1000_Similarity": 0.242438, "FDA_Category_D_and_X_Structural_Similarity": -0.620223, "FDA_Category_D_and_X_Weighted_Contribution": -0.534999, "FDA_Category_D_and_X_Top_Rank": -0.0897271, "Placenta_Crossing_L1000_Similarity": 0.970365, "Placenta_Crossing_Structural_Similarity": -0.379521, "Placenta_Crossing_Weighted_Contribution": -0.0316604, "Placenta_Crossing_Top_Rank": -0.0714136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl", "InChI_key": "FFNWMBDISAYHDC-UHFFFAOYSA-N" } }, "CID:5225092": { "type": "Drug", "properties": { "id": "CID:5225092", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5225092", "label": "westcort", "FDA_Category_D_L1000_Similarity": -0.468826, "FDA_Category_X_L1000_Similarity": 0.0617115, "FDA_Category_D_and_X_L1000_Similarity": -0.385393, "Placenta_Crossing_L1000_Similarity": -0.103469, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO", "InChI_key": "FZCHYNWYXKICIO-UHFFFAOYSA-N" } }, "CID:5227": { "type": "Drug", "properties": { "id": "CID:5227", "label": "4-(dimethylamino)butyl imidothiocarbamate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5227", "FDA_Category_D_L1000_Similarity": -0.969682, "FDA_Category_X_L1000_Similarity": -0.330656, "FDA_Category_D_and_X_L1000_Similarity": -0.936298, "Placenta_Crossing_L1000_Similarity": -0.327722, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCCSC(=N)N", "InChI_key": "UFYJLJINUGVUHO-UHFFFAOYSA-N" } }, "CID:5228": { "type": "Drug", "properties": { "id": "CID:5228", "label": "skf-86002", "lsm": "LSM-4189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5228", "FDA_Category_D_L1000_Similarity": 0.49611, "FDA_Category_D_Structural_Similarity": -0.66843, "FDA_Category_D_Weighted_Contribution": -0.440603, "FDA_Category_D_Top_Rank": -0.0853368, "FDA_Category_X_L1000_Similarity": -0.536831, "FDA_Category_X_Structural_Similarity": -0.728863, "FDA_Category_X_Weighted_Contribution": -0.928761, "FDA_Category_X_Top_Rank": -0.0901469, "FDA_Category_D_and_X_L1000_Similarity": 0.264627, "FDA_Category_D_and_X_Structural_Similarity": -0.923834, "FDA_Category_D_and_X_Weighted_Contribution": -0.746236, "FDA_Category_D_and_X_Top_Rank": -0.0894465, "Placenta_Crossing_L1000_Similarity": 0.617261, "Placenta_Crossing_Structural_Similarity": -1.05261, "Placenta_Crossing_Weighted_Contribution": -0.727399, "Placenta_Crossing_Top_Rank": -0.0806595, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F", "InChI_key": "YOELZIQOLWZLQC-UHFFFAOYSA-N" } }, "CID:5251": { "type": "Drug", "properties": { "id": "CID:5251", "label": "sorbic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5251", "FDA_Category_D_L1000_Similarity": 0.811114, "FDA_Category_D_Structural_Similarity": -0.641699, "FDA_Category_D_Weighted_Contribution": -0.262369, "FDA_Category_D_Top_Rank": -0.0753504, "FDA_Category_X_L1000_Similarity": -0.535814, "FDA_Category_X_Structural_Similarity": -0.517243, "FDA_Category_X_Weighted_Contribution": -0.781256, "FDA_Category_X_Top_Rank": -0.0900638, "FDA_Category_D_and_X_L1000_Similarity": 0.536472, "FDA_Category_D_and_X_Structural_Similarity": -0.788427, "FDA_Category_D_and_X_Weighted_Contribution": -0.537583, "FDA_Category_D_and_X_Top_Rank": -0.0849756, "Placenta_Crossing_L1000_Similarity": -0.0214877, "Placenta_Crossing_Structural_Similarity": 0.1787, "Placenta_Crossing_Weighted_Contribution": 0.0196499, "Placenta_Crossing_Top_Rank": -0.0783232, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5269": { "type": "Drug", "properties": { "id": "CID:5269", "label": "splitomycin", "lsm": "LSM-2607", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5269", "FDA_Category_D_L1000_Similarity": -0.0489621, "FDA_Category_D_Structural_Similarity": -0.413608, "FDA_Category_D_Weighted_Contribution": -0.492516, "FDA_Category_D_Top_Rank": -0.0926241, "FDA_Category_X_L1000_Similarity": 0.0564196, "FDA_Category_X_Structural_Similarity": 0.740314, "FDA_Category_X_Weighted_Contribution": 0.672923, "FDA_Category_X_Top_Rank": -0.0522682, "FDA_Category_D_and_X_L1000_Similarity": -0.025069, "FDA_Category_D_and_X_Structural_Similarity": 0.0711843, "FDA_Category_D_and_X_Weighted_Contribution": -0.0819714, "FDA_Category_D_and_X_Top_Rank": -0.0848266, "Placenta_Crossing_L1000_Similarity": 0.585272, "Placenta_Crossing_Structural_Similarity": 0.243604, "Placenta_Crossing_Weighted_Contribution": 0.38396, "Placenta_Crossing_Top_Rank": -0.0767532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)OC2=C1C3=CC=CC=C3C=C2", "InChI_key": "ISFPDBUKMJDAJH-UHFFFAOYSA-N" } }, "CID:5270": { "type": "Drug", "properties": { "id": "CID:5270", "label": "sq-22536", "lsm": "LSM-1656", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5270", "FDA_Category_D_L1000_Similarity": 0.958456, "FDA_Category_D_Structural_Similarity": 2.07892, "FDA_Category_D_Weighted_Contribution": 2.60534, "FDA_Category_D_Top_Rank": 0.0633137, "FDA_Category_X_L1000_Similarity": 0.425472, "FDA_Category_X_Structural_Similarity": -0.360818, "FDA_Category_X_Weighted_Contribution": -0.259542, "FDA_Category_X_Top_Rank": -0.0834636, "FDA_Category_D_and_X_L1000_Similarity": 0.955413, "FDA_Category_D_and_X_Structural_Similarity": 1.45537, "FDA_Category_D_and_X_Weighted_Contribution": 1.9051, "FDA_Category_D_and_X_Top_Rank": -0.0195862, "Placenta_Crossing_L1000_Similarity": 1.05106, "Placenta_Crossing_Structural_Similarity": 2.15136, "Placenta_Crossing_Weighted_Contribution": 2.59015, "Placenta_Crossing_Top_Rank": 0.0484158, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(OC1)N2C=NC3=C(N=CN=C32)N", "InChI_key": "UKHMZCMKHPHFOT-UHFFFAOYSA-N" } }, "CID:5277135": { "type": "Drug", "properties": { "id": "CID:5277135", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5277135", "label": "elvitegravir", "FDA_Category_D_L1000_Similarity": 0.592661, "FDA_Category_D_Structural_Similarity": 0.00964529, "FDA_Category_D_Weighted_Contribution": 0.22759, "FDA_Category_D_Top_Rank": -0.0828334, "FDA_Category_X_L1000_Similarity": 0.923228, "FDA_Category_X_Structural_Similarity": -0.686726, "FDA_Category_X_Weighted_Contribution": -0.328559, "FDA_Category_X_Top_Rank": -0.0737143, "FDA_Category_D_and_X_L1000_Similarity": 0.791241, "FDA_Category_D_and_X_Structural_Similarity": -0.362899, "FDA_Category_D_and_X_Weighted_Contribution": -0.0606267, "FDA_Category_D_and_X_Top_Rank": -0.0780677, "Placenta_Crossing_L1000_Similarity": 0.262695, "Placenta_Crossing_Structural_Similarity": 0.538071, "Placenta_Crossing_Weighted_Contribution": 0.517848, "Placenta_Crossing_Top_Rank": -0.0685909, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O", "InChI_key": "JUZYLCPPVHEVSV-LJQANCHMSA-N" } }, "CID:5278": { "type": "Drug", "properties": { "id": "CID:5278", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5278", "label": "ponalrestat", "FDA_Category_D_L1000_Similarity": 0.796496, "FDA_Category_D_Structural_Similarity": 1.65636, "FDA_Category_D_Weighted_Contribution": 2.10719, "FDA_Category_D_Top_Rank": 0.00127503, "FDA_Category_X_L1000_Similarity": -0.0646041, "FDA_Category_X_Structural_Similarity": 0.868844, "FDA_Category_X_Weighted_Contribution": 0.748288, "FDA_Category_X_Top_Rank": -0.0466432, "FDA_Category_D_and_X_L1000_Similarity": 0.666974, "FDA_Category_D_and_X_Structural_Similarity": 1.7835, "FDA_Category_D_and_X_Weighted_Contribution": 2.07241, "FDA_Category_D_and_X_Top_Rank": 0.0153453, "Placenta_Crossing_L1000_Similarity": 1.16172, "Placenta_Crossing_Structural_Similarity": -0.0329693, "Placenta_Crossing_Weighted_Contribution": 0.400046, "Placenta_Crossing_Top_Rank": -0.063859, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O", "InChI_key": "LKBFFDOJUKLQNY-UHFFFAOYSA-N" } }, "CID:5280335": { "type": "Drug", "properties": { "id": "CID:5280335", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280335", "label": "sphingosine", "FDA_Category_D_L1000_Similarity": -0.148527, "FDA_Category_D_Structural_Similarity": -0.441445, "FDA_Category_D_Weighted_Contribution": -0.560203, "FDA_Category_D_Top_Rank": -0.0933657, "FDA_Category_X_L1000_Similarity": -0.0192554, "FDA_Category_X_Structural_Similarity": -0.621948, "FDA_Category_X_Weighted_Contribution": -0.66615, "FDA_Category_X_Top_Rank": -0.0877131, "FDA_Category_D_and_X_L1000_Similarity": -0.13388, "FDA_Category_D_and_X_Structural_Similarity": -0.685981, "FDA_Category_D_and_X_Weighted_Contribution": -0.736292, "FDA_Category_D_and_X_Top_Rank": -0.0932128, "Placenta_Crossing_L1000_Similarity": -0.117238, "Placenta_Crossing_Structural_Similarity": -0.63795, "Placenta_Crossing_Weighted_Contribution": -0.697681, "Placenta_Crossing_Top_Rank": -0.0890921, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCC=CC(C(CO)N)O", "InChI_key": "WWUZIQQURGPMPG-KRWOKUGFSA-N" } }, "CID:5280445": { "type": "Drug", "properties": { "id": "CID:5280445", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280445", "label": "luteolin", "FDA_Category_D_L1000_Similarity": 0.495597, "FDA_Category_D_Structural_Similarity": -0.386863, "FDA_Category_D_Weighted_Contribution": -0.200624, "FDA_Category_D_Top_Rank": -0.0853644, "FDA_Category_X_L1000_Similarity": 0.0721501, "FDA_Category_X_Structural_Similarity": -0.530478, "FDA_Category_X_Weighted_Contribution": -0.557628, "FDA_Category_X_Top_Rank": -0.0870486, "FDA_Category_D_and_X_L1000_Similarity": 0.449123, "FDA_Category_D_and_X_Structural_Similarity": -0.593302, "FDA_Category_D_and_X_Weighted_Contribution": -0.42298, "FDA_Category_D_and_X_Top_Rank": -0.0866565, "Placenta_Crossing_L1000_Similarity": 0.548028, "Placenta_Crossing_Structural_Similarity": -0.810495, "Placenta_Crossing_Weighted_Contribution": -0.576375, "Placenta_Crossing_Top_Rank": -0.0821238, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O", "InChI_key": "IQPNAANSBPBGFQ-UHFFFAOYSA-N" } }, "CID:5280483": { "type": "Drug", "properties": { "id": "CID:5280483", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280483", "label": "phylloquinone", "FDA_Category_D_L1000_Similarity": 1.44816, "FDA_Category_D_Structural_Similarity": -0.401978, "FDA_Category_D_Weighted_Contribution": 0.317246, "FDA_Category_D_Top_Rank": -0.018436, "FDA_Category_X_L1000_Similarity": 0.820431, "FDA_Category_X_Structural_Similarity": 0.831111, "FDA_Category_X_Weighted_Contribution": 1.20618, "FDA_Category_X_Top_Rank": -0.0488299, "FDA_Category_D_and_X_L1000_Similarity": 1.49749, "FDA_Category_D_and_X_Structural_Similarity": 0.129409, "FDA_Category_D_and_X_Weighted_Contribution": 0.823721, "FDA_Category_D_and_X_Top_Rank": -0.023736, "Placenta_Crossing_L1000_Similarity": 1.27984, "Placenta_Crossing_Structural_Similarity": -0.324697, "Placenta_Crossing_Weighted_Contribution": 0.169477, "Placenta_Crossing_Top_Rank": -0.0570234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C", "InChI_key": "MBWXNTAXLNYFJB-LKUDQCMESA-N" } }, "CID:5280489": { "type": "Drug", "properties": { "id": "CID:5280489", "label": "beta carotene", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280489", "FDA_Category_D_L1000_Similarity": -0.339653, "FDA_Category_X_L1000_Similarity": 0.552532, "FDA_Category_D_and_X_L1000_Similarity": -0.124998, "Placenta_Crossing_L1000_Similarity": 0.0296229, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C", "InChI_key": "OENHQHLEOONYIE-JLTXGRSLSA-N" } }, "CID:5280804": { "type": "Drug", "properties": { "id": "CID:5280804", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280804", "label": "isoquercetin", "FDA_Category_D_L1000_Similarity": -1.41485, "FDA_Category_X_L1000_Similarity": 0.00292884, "FDA_Category_D_and_X_L1000_Similarity": -1.21874, "Placenta_Crossing_L1000_Similarity": -1.54725, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O", "InChI_key": "OVSQVDMCBVZWGM-QSOFNFLRSA-N" } }, "CID:5280954": { "type": "Drug", "properties": { "id": "CID:5280954", "label": "rescinnamine", "lsm": "LSM-3170", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280954", "FDA_Category_D_L1000_Similarity": 0.186455, "FDA_Category_D_Structural_Similarity": 0.51433, "FDA_Category_D_Weighted_Contribution": 0.499585, "FDA_Category_D_Top_Rank": -0.0704302, "FDA_Category_X_L1000_Similarity": 1.92786, "FDA_Category_X_Structural_Similarity": 0.0667396, "FDA_Category_X_Weighted_Contribution": 0.96718, "FDA_Category_X_Top_Rank": -0.000843178, "FDA_Category_D_and_X_L1000_Similarity": 0.746184, "FDA_Category_D_and_X_Structural_Similarity": 0.444243, "FDA_Category_D_and_X_Weighted_Contribution": 0.71176, "FDA_Category_D_and_X_Top_Rank": -0.0756619, "Placenta_Crossing_L1000_Similarity": 0.064218, "Placenta_Crossing_Structural_Similarity": -0.538964, "Placenta_Crossing_Weighted_Contribution": -0.5565, "Placenta_Crossing_Top_Rank": -0.0878384, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC", "InChI_key": "SZLZWPPUNLXJEA-QEGASFHISA-N" } }, "CID:5280961": { "type": "Drug", "properties": { "id": "CID:5280961", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280961", "label": "genistein", "FDA_Category_D_L1000_Similarity": 0.669568, "FDA_Category_D_Structural_Similarity": -0.84315, "FDA_Category_D_Weighted_Contribution": -0.499511, "FDA_Category_D_Top_Rank": -0.0805948, "FDA_Category_X_L1000_Similarity": -2.02079, "FDA_Category_X_Structural_Similarity": -0.607204, "FDA_Category_X_Weighted_Contribution": -1.28854, "FDA_Category_X_Top_Rank": -0.0911472, "FDA_Category_D_and_X_L1000_Similarity": -0.0365033, "FDA_Category_D_and_X_Structural_Similarity": -0.996864, "FDA_Category_D_and_X_Weighted_Contribution": -0.904094, "FDA_Category_D_and_X_Top_Rank": -0.0924979, "Placenta_Crossing_L1000_Similarity": 0.0750528, "Placenta_Crossing_Structural_Similarity": -0.541379, "Placenta_Crossing_Weighted_Contribution": -0.55414, "Placenta_Crossing_Top_Rank": -0.0877544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O", "InChI_key": "TZBJGXHYKVUXJN-UHFFFAOYSA-N" } }, "CID:5281081": { "type": "Drug", "properties": { "id": "CID:5281081", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281081", "label": "entacapone", "FDA_Category_D_L1000_Similarity": 0.538402, "FDA_Category_D_Structural_Similarity": -0.291008, "FDA_Category_D_Weighted_Contribution": -0.0911418, "FDA_Category_D_Top_Rank": -0.0843042, "FDA_Category_X_L1000_Similarity": 0.0234338, "FDA_Category_X_Structural_Similarity": -0.159288, "FDA_Category_X_Weighted_Contribution": -0.259226, "FDA_Category_X_Top_Rank": -0.0836133, "FDA_Category_D_and_X_L1000_Similarity": 0.471225, "FDA_Category_D_and_X_Structural_Similarity": -0.316929, "FDA_Category_D_and_X_Weighted_Contribution": -0.179984, "FDA_Category_D_and_X_Top_Rank": -0.0862246, "Placenta_Crossing_L1000_Similarity": 0.743694, "Placenta_Crossing_Structural_Similarity": -0.379911, "Placenta_Crossing_Weighted_Contribution": -0.136895, "Placenta_Crossing_Top_Rank": -0.0777844, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N", "InChI_key": "JRURYQJSLYLRLN-BJMVGYQFSA-N" } }, "CID:5281365": { "type": "Drug", "properties": { "id": "CID:5281365", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281365", "label": "geranylgeraniol", "FDA_Category_D_L1000_Similarity": 0.747161, "FDA_Category_D_Structural_Similarity": -0.924148, "FDA_Category_D_Weighted_Contribution": -0.527616, "FDA_Category_D_Top_Rank": -0.0779237, "FDA_Category_X_L1000_Similarity": 0.102967, "FDA_Category_X_Structural_Similarity": -0.60039, "FDA_Category_X_Weighted_Contribution": -0.601383, "FDA_Category_X_Top_Rank": -0.0868267, "FDA_Category_D_and_X_L1000_Similarity": 0.675334, "FDA_Category_D_and_X_Structural_Similarity": -1.05748, "FDA_Category_D_and_X_Weighted_Contribution": -0.678738, "FDA_Category_D_and_X_Top_Rank": -0.0817849, "Placenta_Crossing_L1000_Similarity": 0.856766, "Placenta_Crossing_Structural_Similarity": -0.86804, "Placenta_Crossing_Weighted_Contribution": -0.499906, "Placenta_Crossing_Top_Rank": -0.0747835, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C", "InChI_key": "OJISWRZIEWCUBN-QIRCYJPOSA-N" } }, "CID:5281426": { "type": "Drug", "properties": { "id": "CID:5281426", "label": "umbelliferone", "lsm": "LSM-3960", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281426", "FDA_Category_D_L1000_Similarity": 1.07843, "FDA_Category_D_Structural_Similarity": 1.00911, "FDA_Category_D_Weighted_Contribution": 1.59962, "FDA_Category_D_Top_Rank": -0.050304, "FDA_Category_X_L1000_Similarity": -1.54049, "FDA_Category_X_Structural_Similarity": 1.52812, "FDA_Category_X_Weighted_Contribution": 0.660455, "FDA_Category_X_Top_Rank": -0.00733937, "FDA_Category_D_and_X_L1000_Similarity": 0.461806, "FDA_Category_D_and_X_Structural_Similarity": 1.62551, "FDA_Category_D_and_X_Weighted_Contribution": 1.79575, "FDA_Category_D_and_X_Top_Rank": -0.00318509, "Placenta_Crossing_L1000_Similarity": 1.0194, "Placenta_Crossing_Structural_Similarity": 1.47082, "Placenta_Crossing_Weighted_Contribution": 1.91935, "Placenta_Crossing_Top_Rank": -0.0216295, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC2=C1C=CC(=O)O2)O", "InChI_key": "ORHBXUUXSCNDEV-UHFFFAOYSA-N" } }, "CID:5281437": { "type": "Drug", "properties": { "id": "CID:5281437", "label": "costunolide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281437", "FDA_Category_D_L1000_Similarity": -0.547436, "FDA_Category_D_Structural_Similarity": 0.133246, "FDA_Category_D_Weighted_Contribution": -0.280279, "FDA_Category_D_Top_Rank": -0.0816327, "FDA_Category_X_L1000_Similarity": -0.690105, "FDA_Category_X_Structural_Similarity": 0.966688, "FDA_Category_X_Weighted_Contribution": 0.511898, "FDA_Category_X_Top_Rank": -0.0426634, "FDA_Category_D_and_X_L1000_Similarity": -0.681474, "FDA_Category_D_and_X_Structural_Similarity": 0.62738, "FDA_Category_D_and_X_Weighted_Contribution": 0.0924553, "FDA_Category_D_and_X_Top_Rank": -0.0697184, "Placenta_Crossing_L1000_Similarity": -0.94537, "Placenta_Crossing_Structural_Similarity": 0.499699, "Placenta_Crossing_Weighted_Contribution": -0.116412, "Placenta_Crossing_Top_Rank": -0.0694472, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5281542": { "type": "Drug", "properties": { "id": "CID:5281542", "label": "harpagoside", "lsm": "LSM-2156", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281542", "FDA_Category_D_L1000_Similarity": 0.590805, "FDA_Category_D_Structural_Similarity": -0.90202, "FDA_Category_D_Weighted_Contribution": -0.58148, "FDA_Category_D_Top_Rank": -0.082862, "FDA_Category_X_L1000_Similarity": -0.870447, "FDA_Category_X_Structural_Similarity": -0.726876, "FDA_Category_X_Weighted_Contribution": -1.03458, "FDA_Category_X_Top_Rank": -0.0910375, "FDA_Category_D_and_X_L1000_Similarity": 0.244943, "FDA_Category_D_and_X_Structural_Similarity": -1.10816, "FDA_Category_D_and_X_Weighted_Contribution": -0.874989, "FDA_Category_D_and_X_Top_Rank": -0.0896837, "Placenta_Crossing_L1000_Similarity": 0.603916, "Placenta_Crossing_Structural_Similarity": -1.07203, "Placenta_Crossing_Weighted_Contribution": -0.745662, "Placenta_Crossing_Top_Rank": -0.0809264, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4", "InChI_key": "KVRQGMOSZKPBNS-FMHLWDFHSA-N" } }, "CID:5281565": { "type": "Drug", "properties": { "id": "CID:5281565", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281565", "label": "kawain", "FDA_Category_D_L1000_Similarity": 0.291882, "FDA_Category_X_L1000_Similarity": 0.788489, "FDA_Category_D_and_X_L1000_Similarity": 0.491059, "Placenta_Crossing_L1000_Similarity": 0.587153, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2", "InChI_key": "XEAQIWGXBXCYFX-GUOLPTJISA-N" } }, "CID:5281613": { "type": "Drug", "properties": { "id": "CID:5281613", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281613", "label": "diosmin", "FDA_Category_D_L1000_Similarity": 0.148067, "FDA_Category_X_L1000_Similarity": -0.303148, "FDA_Category_D_and_X_L1000_Similarity": 0.0355789, "Placenta_Crossing_L1000_Similarity": -0.220706, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O", "InChI_key": "GZSOSUNBTXMUFQ-YFAPSIMESA-N" } }, "CID:5281643": { "type": "Drug", "properties": { "id": "CID:5281643", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281643", "label": "hyperoside", "FDA_Category_D_L1000_Similarity": -0.356128, "FDA_Category_X_L1000_Similarity": 1.16082, "FDA_Category_D_and_X_L1000_Similarity": 0.0455355, "Placenta_Crossing_L1000_Similarity": -0.202697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O", "InChI_key": "OVSQVDMCBVZWGM-DTGCRPNFSA-N" } }, "CID:5281804": { "type": "Drug", "properties": { "id": "CID:5281804", "label": "prunetin", "lsm": "LSM-3283", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281804", "FDA_Category_D_L1000_Similarity": -1.07316, "FDA_Category_D_Structural_Similarity": -0.843113, "FDA_Category_D_Weighted_Contribution": -1.16726, "FDA_Category_D_Top_Rank": -0.096387, "FDA_Category_X_L1000_Similarity": 1.35223, "FDA_Category_X_Structural_Similarity": -0.0850614, "FDA_Category_X_Weighted_Contribution": 0.479752, "FDA_Category_X_Top_Rank": -0.0559845, "FDA_Category_D_and_X_L1000_Similarity": -0.514441, "FDA_Category_D_and_X_Structural_Similarity": -0.715088, "FDA_Category_D_and_X_Weighted_Contribution": -0.895474, "FDA_Category_D_and_X_Top_Rank": -0.0951222, "Placenta_Crossing_L1000_Similarity": 0.456227, "Placenta_Crossing_Structural_Similarity": -0.589137, "Placenta_Crossing_Weighted_Contribution": -0.439669, "Placenta_Crossing_Top_Rank": -0.0836598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O", "InChI_key": "KQMVAGISDHMXJJ-UHFFFAOYSA-N" } }, "CID:5281884": { "type": "Drug", "properties": { "id": "CID:5281884", "label": "valspodar", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281884", "FDA_Category_D_L1000_Similarity": -0.885039, "FDA_Category_D_Structural_Similarity": -0.535894, "FDA_Category_D_Weighted_Contribution": -0.928456, "FDA_Category_D_Top_Rank": -0.094512, "FDA_Category_X_L1000_Similarity": -0.929352, "FDA_Category_X_Structural_Similarity": 0.766085, "FDA_Category_X_Weighted_Contribution": 0.174497, "FDA_Category_X_Top_Rank": -0.0512038, "FDA_Category_D_and_X_L1000_Similarity": -1.04514, "FDA_Category_D_and_X_Structural_Similarity": -0.0119695, "FDA_Category_D_and_X_Weighted_Contribution": -0.620115, "FDA_Category_D_and_X_Top_Rank": -0.0865814, "Placenta_Crossing_L1000_Similarity": -1.33283, "Placenta_Crossing_Structural_Similarity": 1.24314, "Placenta_Crossing_Weighted_Contribution": 0.410826, "Placenta_Crossing_Top_Rank": -0.0368644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C", "InChI_key": "YJDYDFNKCBANTM-QCWCSKBGSA-N" } }, "CID:5281894": { "type": "Drug", "properties": { "id": "CID:5281894", "label": "nsc-94258", "lsm": "LSM-4663", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281894", "FDA_Category_D_L1000_Similarity": 0.537369, "FDA_Category_D_Structural_Similarity": -0.297322, "FDA_Category_D_Weighted_Contribution": -0.0975033, "FDA_Category_D_Top_Rank": -0.084335, "FDA_Category_X_L1000_Similarity": 0.150457, "FDA_Category_X_Structural_Similarity": -0.483121, "FDA_Category_X_Weighted_Contribution": -0.486371, "FDA_Category_X_Top_Rank": -0.0864261, "FDA_Category_D_and_X_L1000_Similarity": 0.50891, "FDA_Category_D_and_X_Structural_Similarity": -0.496678, "FDA_Category_D_and_X_Weighted_Contribution": -0.316141, "FDA_Category_D_and_X_Top_Rank": -0.085457, "Placenta_Crossing_L1000_Similarity": 0.270499, "Placenta_Crossing_Structural_Similarity": -0.851107, "Placenta_Crossing_Weighted_Contribution": -0.70937, "Placenta_Crossing_Top_Rank": -0.085972, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O", "InChI_key": "MQGPSCMMNJKMHQ-UHFFFAOYSA-N" } }, "CID:5281901": { "type": "Drug", "properties": { "id": "CID:5281901", "label": "oligomycin-c", "lsm": "LSM-5230", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281901", "FDA_Category_D_L1000_Similarity": -3.21869, "FDA_Category_D_Structural_Similarity": 0.845112, "FDA_Category_D_Weighted_Contribution": -0.919355, "FDA_Category_D_Top_Rank": -0.058789, "FDA_Category_X_L1000_Similarity": -0.715462, "FDA_Category_X_Structural_Similarity": 0.685742, "FDA_Category_X_Weighted_Contribution": 0.20182, "FDA_Category_X_Top_Rank": -0.054573, "FDA_Category_D_and_X_L1000_Similarity": -2.99185, "FDA_Category_D_and_X_Structural_Similarity": 1.0408, "FDA_Category_D_and_X_Weighted_Contribution": -0.648172, "FDA_Category_D_and_X_Top_Rank": -0.0505583, "Placenta_Crossing_L1000_Similarity": -3.20025, "Placenta_Crossing_Structural_Similarity": 0.335997, "Placenta_Crossing_Weighted_Contribution": -1.07072, "Placenta_Crossing_Top_Rank": -0.0741637, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C", "InChI_key": "CMMLZMMKTYEOKV-JEKNLLRFSA-N" } }, "CID:5282339": { "type": "Drug", "properties": { "id": "CID:5282339", "label": "CGH-2466", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282339", "FDA_Category_D_L1000_Similarity": 0.507822, "FDA_Category_X_L1000_Similarity": 0.200463, "FDA_Category_D_and_X_L1000_Similarity": 0.498629, "Placenta_Crossing_L1000_Similarity": 1.35217, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5282367": { "type": "Drug", "properties": { "id": "CID:5282367", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282367", "label": "menatetrenone", "FDA_Category_D_L1000_Similarity": 0.222162, "FDA_Category_D_Structural_Similarity": -0.453258, "FDA_Category_D_Weighted_Contribution": -0.395548, "FDA_Category_D_Top_Rank": -0.089958, "FDA_Category_X_L1000_Similarity": -0.521677, "FDA_Category_X_Structural_Similarity": 0.7303, "FDA_Category_X_Weighted_Contribution": 0.349214, "FDA_Category_X_Top_Rank": -0.0525744, "FDA_Category_D_and_X_L1000_Similarity": 0.0330819, "FDA_Category_D_and_X_Structural_Similarity": 0.03431, "FDA_Category_D_and_X_Weighted_Contribution": -0.0858396, "FDA_Category_D_and_X_Top_Rank": -0.0855907, "Placenta_Crossing_L1000_Similarity": 0.48361, "Placenta_Crossing_Structural_Similarity": -0.442155, "Placenta_Crossing_Weighted_Contribution": -0.306552, "Placenta_Crossing_Top_Rank": -0.0832431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C", "InChI_key": "DKHGMERMDICWDU-GHDNBGIDSA-N" } }, "CID:5283731": { "type": "Drug", "properties": { "id": "CID:5283731", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5283731", "label": "calcifediol", "FDA_Category_D_L1000_Similarity": 0.479415, "FDA_Category_D_Structural_Similarity": 1.61258, "FDA_Category_D_Weighted_Contribution": 1.86954, "FDA_Category_D_Top_Rank": -0.00378273, "FDA_Category_X_L1000_Similarity": 1.34581, "FDA_Category_X_Structural_Similarity": -0.0676929, "FDA_Category_X_Weighted_Contribution": 0.495027, "FDA_Category_X_Top_Rank": -0.0564349, "FDA_Category_D_and_X_L1000_Similarity": 0.821964, "FDA_Category_D_and_X_Structural_Similarity": 1.2434, "FDA_Category_D_and_X_Weighted_Contribution": 1.60759, "FDA_Category_D_and_X_Top_Rank": -0.0361219, "Placenta_Crossing_L1000_Similarity": 0.380077, "Placenta_Crossing_Structural_Similarity": -0.787277, "Placenta_Crossing_Weighted_Contribution": -0.62284, "Placenta_Crossing_Top_Rank": -0.0847039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C", "InChI_key": "JWUBBDSIWDLEOM-DTOXIADCSA-N" } }, "CID:5284583": { "type": "Drug", "properties": { "id": "CID:5284583", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284583", "label": "levetiracetam", "FDA_Category_D_L1000_Similarity": -1.01486, "FDA_Category_D_Structural_Similarity": 0.174339, "FDA_Category_D_Weighted_Contribution": -0.474634, "FDA_Category_D_Top_Rank": -0.0806742, "FDA_Category_X_L1000_Similarity": 0.888872, "FDA_Category_X_Structural_Similarity": -0.0457739, "FDA_Category_X_Weighted_Contribution": 0.275563, "FDA_Category_X_Top_Rank": -0.0747428, "FDA_Category_D_and_X_L1000_Similarity": -0.604895, "FDA_Category_D_and_X_Structural_Similarity": 0.113676, "FDA_Category_D_and_X_Weighted_Contribution": -0.327855, "FDA_Category_D_and_X_Top_Rank": -0.0837168, "Placenta_Crossing_L1000_Similarity": 1.17129, "Placenta_Crossing_Structural_Similarity": -0.0616722, "Placenta_Crossing_Weighted_Contribution": 0.375879, "Placenta_Crossing_Top_Rank": -0.0632108, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C(=O)N)N1CCCC1=O", "InChI_key": "HPHUVLMMVZITSG-LURJTMIESA-N" } }, "CID:5286534": { "type": "Drug", "properties": { "id": "CID:5286534", "label": "stock1s-03920", "lsm": "LSM-6638", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5286534", "FDA_Category_D_L1000_Similarity": -1.53643, "FDA_Category_X_L1000_Similarity": -0.0778111, "FDA_Category_D_and_X_L1000_Similarity": -1.34805, "Placenta_Crossing_L1000_Similarity": -1.84233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N", "InChI_key": "BMVPYKZTAYDWTM-XYOKQWHBSA-N" } }, "CID:5287855": { "type": "Drug", "properties": { "id": "CID:5287855", "label": "(5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione", "lsm": "LSM-5728", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5287855", "FDA_Category_D_L1000_Similarity": 1.20213, "FDA_Category_D_Structural_Similarity": 0.456631, "FDA_Category_D_Weighted_Contribution": 1.07571, "FDA_Category_D_Top_Rank": -0.0484944, "FDA_Category_X_L1000_Similarity": -1.15782, "FDA_Category_X_Structural_Similarity": 1.18521, "FDA_Category_X_Weighted_Contribution": 0.495107, "FDA_Category_X_Top_Rank": -0.0295371, "FDA_Category_D_and_X_L1000_Similarity": 0.684651, "FDA_Category_D_and_X_Structural_Similarity": 1.00197, "FDA_Category_D_and_X_Weighted_Contribution": 1.26881, "FDA_Category_D_and_X_Top_Rank": -0.0531141, "Placenta_Crossing_L1000_Similarity": 0.611188, "Placenta_Crossing_Structural_Similarity": -0.564337, "Placenta_Crossing_Weighted_Contribution": -0.35489, "Placenta_Crossing_Top_Rank": -0.0808138, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1C=C3C(=O)NC(=O)S3)OC(O2)(F)F", "InChI_key": "SRLVNYDXMUGOFI-YWEYNIOJSA-N" } }, "CID:5290": { "type": "Drug", "properties": { "id": "CID:5290", "label": "l-stepholidine", "lsm": "LSM-1754", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5290", "FDA_Category_D_L1000_Similarity": 1.55011, "FDA_Category_D_Structural_Similarity": -0.420614, "FDA_Category_D_Weighted_Contribution": 0.358949, "FDA_Category_D_Top_Rank": 0.00262097, "FDA_Category_X_L1000_Similarity": -0.681505, "FDA_Category_X_Structural_Similarity": 0.64387, "FDA_Category_X_Weighted_Contribution": 0.176344, "FDA_Category_X_Top_Rank": -0.056017, "FDA_Category_D_and_X_L1000_Similarity": 1.12926, "FDA_Category_D_and_X_Structural_Similarity": 0.0135822, "FDA_Category_D_and_X_Weighted_Contribution": 0.488242, "FDA_Category_D_and_X_Top_Rank": -0.0605739, "Placenta_Crossing_L1000_Similarity": 0.880569, "Placenta_Crossing_Structural_Similarity": -0.0997589, "Placenta_Crossing_Weighted_Contribution": 0.191291, "Placenta_Crossing_Top_Rank": -0.0741745, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O", "InChI_key": "JKPISQIIWUONPB-UHFFFAOYSA-N" } }, "CID:5310968": { "type": "Drug", "properties": { "id": "CID:5310968", "label": "SIB-1553A", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5310968", "FDA_Category_D_L1000_Similarity": 0.164614, "FDA_Category_D_Structural_Similarity": 0.887153, "FDA_Category_D_Weighted_Contribution": 0.882992, "FDA_Category_D_Top_Rank": -0.0563697, "FDA_Category_X_L1000_Similarity": -0.248023, "FDA_Category_X_Structural_Similarity": 0.804968, "FDA_Category_X_Weighted_Contribution": 0.576602, "FDA_Category_X_Top_Rank": -0.0497907, "FDA_Category_D_and_X_L1000_Similarity": 0.0665785, "FDA_Category_D_and_X_Structural_Similarity": 1.1385, "FDA_Category_D_and_X_Weighted_Contribution": 1.044, "FDA_Category_D_and_X_Top_Rank": -0.0432945, "Placenta_Crossing_L1000_Similarity": 0.173872, "Placenta_Crossing_Structural_Similarity": 1.66699, "Placenta_Crossing_Weighted_Contribution": 1.67616, "Placenta_Crossing_Top_Rank": -0.00576581, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5311037": { "type": "Drug", "properties": { "id": "CID:5311037", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311037", "label": "istradefylline", "FDA_Category_D_L1000_Similarity": -0.130978, "FDA_Category_D_Structural_Similarity": 0.503731, "FDA_Category_D_Weighted_Contribution": 0.298039, "FDA_Category_D_Top_Rank": -0.0708167, "FDA_Category_X_L1000_Similarity": 0.776262, "FDA_Category_X_Structural_Similarity": 0.436674, "FDA_Category_X_Weighted_Contribution": 0.735612, "FDA_Category_X_Top_Rank": -0.0645094, "FDA_Category_D_and_X_L1000_Similarity": 0.122833, "FDA_Category_D_and_X_Structural_Similarity": 0.635445, "FDA_Category_D_and_X_Weighted_Contribution": 0.547377, "FDA_Category_D_and_X_Top_Rank": -0.0695043, "Placenta_Crossing_L1000_Similarity": 0.577882, "Placenta_Crossing_Structural_Similarity": 0.991924, "Placenta_Crossing_Weighted_Contribution": 1.17115, "Placenta_Crossing_Top_Rank": -0.0504077, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C", "InChI_key": "IQVRBWUUXZMOPW-PKNBQFBNSA-N" } }, "CID:5311128": { "type": "Drug", "properties": { "id": "CID:5311128", "label": "goserelin", "ref": "LSM-5104", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311128", "FDA_Category_D_L1000_Similarity": 1.25473, "FDA_Category_D_Structural_Similarity": -0.519291, "FDA_Category_D_Weighted_Contribution": 0.0891605, "FDA_Category_D_Top_Rank": -0.0434397, "FDA_Category_X_L1000_Similarity": 1.63837, "FDA_Category_X_Structural_Similarity": 3.7354, "FDA_Category_X_Weighted_Contribution": 4.01208, "FDA_Category_X_Top_Rank": 0.443957, "FDA_Category_D_and_X_L1000_Similarity": 1.57914, "FDA_Category_D_and_X_Structural_Similarity": 1.60344, "FDA_Category_D_and_X_Weighted_Contribution": 2.38987, "FDA_Category_D_and_X_Top_Rank": -0.00555862, "Placenta_Crossing_L1000_Similarity": 2.00641, "Placenta_Crossing_Structural_Similarity": -0.207748, "Placenta_Crossing_Weighted_Contribution": 0.662571, "Placenta_Crossing_Top_Rank": 0.0453019, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6", "InChI_key": "BLCLNMBMMGCOAS-URPVMXJPSA-N" } }, "CID:5311217": { "type": "Drug", "properties": { "id": "CID:5311217", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311217", "label": "lacidipine", "FDA_Category_D_L1000_Similarity": -0.728481, "FDA_Category_D_Structural_Similarity": 3.87185, "FDA_Category_D_Weighted_Contribution": 3.24544, "FDA_Category_D_Top_Rank": 0.471105, "FDA_Category_X_L1000_Similarity": -1.07584, "FDA_Category_X_Structural_Similarity": 0.718889, "FDA_Category_X_Weighted_Contribution": 0.0531299, "FDA_Category_X_Top_Rank": -0.0532115, "FDA_Category_D_and_X_L1000_Similarity": -0.954674, "FDA_Category_D_and_X_Structural_Similarity": 3.46105, "FDA_Category_D_and_X_Weighted_Contribution": 2.77016, "FDA_Category_D_and_X_Top_Rank": 0.367599, "Placenta_Crossing_L1000_Similarity": -0.580636, "Placenta_Crossing_Structural_Similarity": 1.69575, "Placenta_Crossing_Weighted_Contribution": 1.29668, "Placenta_Crossing_Top_Rank": -0.00146068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C", "InChI_key": "GKQPCPXONLDCMU-CCEZHUSRSA-N" } }, "CID:5311257": { "type": "Drug", "properties": { "id": "CID:5311257", "label": "ly-320135", "lsm": "LSM-3770", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311257", "FDA_Category_D_L1000_Similarity": 0.223989, "FDA_Category_D_Structural_Similarity": 0.963645, "FDA_Category_D_Weighted_Contribution": 1.00392, "FDA_Category_D_Top_Rank": -0.0520884, "FDA_Category_X_L1000_Similarity": 0.740354, "FDA_Category_X_Structural_Similarity": 2.17368, "FDA_Category_X_Weighted_Contribution": 2.62016, "FDA_Category_X_Top_Rank": 0.0628455, "FDA_Category_D_and_X_L1000_Similarity": 0.41791, "FDA_Category_D_and_X_Structural_Similarity": 1.93777, "FDA_Category_D_and_X_Weighted_Contribution": 2.08691, "FDA_Category_D_and_X_Top_Rank": 0.028049, "Placenta_Crossing_L1000_Similarity": 0.533785, "Placenta_Crossing_Structural_Similarity": 0.448432, "Placenta_Crossing_Weighted_Contribution": 0.567499, "Placenta_Crossing_Top_Rank": -0.071075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=C(C3=C(O2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)C#N", "InChI_key": "RYNSGDFWBJWWSZ-UHFFFAOYSA-N" } }, "CID:5311451": { "type": "Drug", "properties": { "id": "CID:5311451", "label": "sr-142948", "lsm": "LSM-4038", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311451", "FDA_Category_D_L1000_Similarity": 0.866508, "FDA_Category_D_Structural_Similarity": 0.311124, "FDA_Category_D_Weighted_Contribution": 0.705438, "FDA_Category_D_Top_Rank": -0.0729721, "FDA_Category_X_L1000_Similarity": 0.317665, "FDA_Category_X_Structural_Similarity": -0.636451, "FDA_Category_X_Weighted_Contribution": -0.543897, "FDA_Category_X_Top_Rank": -0.0847533, "FDA_Category_D_and_X_L1000_Similarity": 0.843402, "FDA_Category_D_and_X_Structural_Similarity": -0.096483, "FDA_Category_D_and_X_Weighted_Contribution": 0.218301, "FDA_Category_D_and_X_Top_Rank": -0.0762496, "Placenta_Crossing_L1000_Similarity": 1.20418, "Placenta_Crossing_Structural_Similarity": -0.169821, "Placenta_Crossing_Weighted_Contribution": 0.284098, "Placenta_Crossing_Top_Rank": -0.0614406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC", "InChI_key": "LWULHXVBLMWCHO-UHFFFAOYSA-N" } }, "CID:5311452": { "type": "Drug", "properties": { "id": "CID:5311452", "label": "sr-59230a", "lsm": "LSM-2774", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311452", "FDA_Category_D_L1000_Similarity": -1.24183, "FDA_Category_D_Structural_Similarity": 0.131288, "FDA_Category_D_Weighted_Contribution": -0.61179, "FDA_Category_D_Top_Rank": -0.0816728, "FDA_Category_X_L1000_Similarity": 0.858618, "FDA_Category_X_Structural_Similarity": -0.530507, "FDA_Category_X_Weighted_Contribution": -0.21647, "FDA_Category_X_Top_Rank": -0.0754469, "FDA_Category_D_and_X_L1000_Similarity": -0.809727, "FDA_Category_D_and_X_Structural_Similarity": -0.182054, "FDA_Category_D_and_X_Weighted_Contribution": -0.647905, "FDA_Category_D_and_X_Top_Rank": -0.0899249, "Placenta_Crossing_L1000_Similarity": -0.964387, "Placenta_Crossing_Structural_Similarity": 0.0365349, "Placenta_Crossing_Weighted_Contribution": -0.51502, "Placenta_Crossing_Top_Rank": -0.081489, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC=CC=C1OCC(CNC2CCCC3=CC=CC=C23)O", "InChI_key": "VFDHMSXXELYMRW-ICSRJNTNSA-N" } }, "CID:5311493": { "type": "Drug", "properties": { "id": "CID:5311493", "label": "u-46619", "lsm": "LSM-2411", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311493", "FDA_Category_D_L1000_Similarity": 1.32471, "FDA_Category_D_Structural_Similarity": 0.55429, "FDA_Category_D_Weighted_Contribution": 1.26114, "FDA_Category_D_Top_Rank": -0.0348514, "FDA_Category_X_L1000_Similarity": 0.0622652, "FDA_Category_X_Structural_Similarity": 1.00882, "FDA_Category_X_Weighted_Contribution": 0.976827, "FDA_Category_X_Top_Rank": -0.0404327, "FDA_Category_D_and_X_L1000_Similarity": 1.16084, "FDA_Category_D_and_X_Structural_Similarity": 0.984302, "FDA_Category_D_and_X_Weighted_Contribution": 1.53457, "FDA_Category_D_and_X_Top_Rank": -0.0540513, "Placenta_Crossing_L1000_Similarity": 0.696082, "Placenta_Crossing_Structural_Similarity": 1.14064, "Placenta_Crossing_Weighted_Contribution": 1.39659, "Placenta_Crossing_Top_Rank": -0.0431858, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O", "InChI_key": "LQANGKSBLPMBTJ-BRSNVKEHSA-N" } }, "CID:5312122": { "type": "Drug", "properties": { "id": "CID:5312122", "label": "kn-93", "lsm": "LSM-1217", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312122", "FDA_Category_D_L1000_Similarity": -1.70302, "FDA_Category_D_Structural_Similarity": 0.0257872, "FDA_Category_D_Weighted_Contribution": -0.875626, "FDA_Category_D_Top_Rank": -0.0845479, "FDA_Category_X_L1000_Similarity": 0.306228, "FDA_Category_X_Structural_Similarity": 0.658832, "FDA_Category_X_Weighted_Contribution": 0.721116, "FDA_Category_X_Top_Rank": -0.0554578, "FDA_Category_D_and_X_L1000_Similarity": -1.37503, "FDA_Category_D_and_X_Structural_Similarity": 0.375971, "FDA_Category_D_and_X_Weighted_Contribution": -0.465428, "FDA_Category_D_and_X_Top_Rank": -0.0775351, "Placenta_Crossing_L1000_Similarity": -2.54954, "Placenta_Crossing_Structural_Similarity": 0.194598, "Placenta_Crossing_Weighted_Contribution": -0.961595, "Placenta_Crossing_Top_Rank": -0.0778775, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC", "InChI_key": "LLLQTDSSHZREGW-AATRIKPKSA-N" } }, "CID:5314": { "type": "Drug", "properties": { "id": "CID:5314", "label": "succinylcholine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5314", "FDA_Category_D_L1000_Similarity": 0.264281, "FDA_Category_D_Structural_Similarity": -0.148177, "FDA_Category_D_Weighted_Contribution": -0.107385, "FDA_Category_D_Top_Rank": -0.0885125, "FDA_Category_X_L1000_Similarity": -0.725446, "FDA_Category_X_Structural_Similarity": -0.0642122, "FDA_Category_X_Weighted_Contribution": -0.502531, "FDA_Category_X_Top_Rank": -0.0812714, "FDA_Category_D_and_X_L1000_Similarity": 0.00751098, "FDA_Category_D_and_X_Structural_Similarity": -0.152259, "FDA_Category_D_and_X_Weighted_Contribution": -0.26253, "FDA_Category_D_and_X_Top_Rank": -0.0893328, "Placenta_Crossing_L1000_Similarity": 0.341666, "Placenta_Crossing_Structural_Similarity": -0.221855, "Placenta_Crossing_Weighted_Contribution": -0.177853, "Placenta_Crossing_Top_Rank": -0.0851738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C", "InChI_key": "AXOIZCJOOAYSMI-UHFFFAOYSA-N" } }, "CID:5315": { "type": "Drug", "properties": { "id": "CID:5315", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5315", "label": "succinylsulfathiazole", "FDA_Category_D_L1000_Similarity": 0.239718, "FDA_Category_D_Structural_Similarity": -0.266408, "FDA_Category_D_Weighted_Contribution": -0.22667, "FDA_Category_D_Top_Rank": -0.0896455, "FDA_Category_X_L1000_Similarity": 0.140654, "FDA_Category_X_Structural_Similarity": -0.11984, "FDA_Category_X_Weighted_Contribution": -0.168752, "FDA_Category_X_Top_Rank": -0.0827814, "FDA_Category_D_and_X_L1000_Similarity": 0.249352, "FDA_Category_D_and_X_Structural_Similarity": -0.276117, "FDA_Category_D_and_X_Weighted_Contribution": -0.252508, "FDA_Category_D_and_X_Top_Rank": -0.089615, "Placenta_Crossing_L1000_Similarity": 0.725039, "Placenta_Crossing_Structural_Similarity": 0.642971, "Placenta_Crossing_Weighted_Contribution": 0.875635, "Placenta_Crossing_Top_Rank": -0.0650248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2", "InChI_key": "SKVLYVHULOWXTD-UHFFFAOYSA-N" } }, "CID:5318": { "type": "Drug", "properties": { "id": "CID:5318", "label": "sulconazole", "lsm": "LSM-1751", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5318", "IDG_ID": "2495", "FDA_Category_D_L1000_Similarity": -2.53994, "FDA_Category_D_Structural_Similarity": -0.471623, "FDA_Category_D_Weighted_Contribution": -1.39155, "FDA_Category_D_Top_Rank": -0.093802, "FDA_Category_X_L1000_Similarity": -0.989832, "FDA_Category_X_Structural_Similarity": -0.660909, "FDA_Category_X_Weighted_Contribution": -1.03072, "FDA_Category_X_Top_Rank": -0.0912451, "FDA_Category_D_and_X_L1000_Similarity": -2.49006, "FDA_Category_D_and_X_Structural_Similarity": -0.730957, "FDA_Category_D_and_X_Weighted_Contribution": -1.4399, "FDA_Category_D_and_X_Top_Rank": -0.0955939, "Placenta_Crossing_L1000_Similarity": -3.16525, "Placenta_Crossing_Structural_Similarity": -0.936945, "Placenta_Crossing_Weighted_Contribution": -1.58605, "Placenta_Crossing_Top_Rank": -0.0922767, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl", "InChI_key": "AFNXATANNDIXLG-UHFFFAOYSA-N" } }, "CID:53235510": { "type": "Drug", "properties": { "id": "CID:53235510", "label": "infigratinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53235510", "FDA_Category_D_L1000_Similarity": -0.763958, "FDA_Category_D_Structural_Similarity": 1.74392, "FDA_Category_D_Weighted_Contribution": 1.2245, "FDA_Category_D_Top_Rank": 0.0119458, "FDA_Category_X_L1000_Similarity": -0.998723, "FDA_Category_X_Structural_Similarity": -0.629442, "FDA_Category_X_Weighted_Contribution": -1.01387, "FDA_Category_X_Top_Rank": -0.0912617, "FDA_Category_D_and_X_L1000_Similarity": -0.961837, "FDA_Category_D_and_X_Structural_Similarity": 1.04453, "FDA_Category_D_and_X_Weighted_Contribution": 0.345606, "FDA_Category_D_and_X_Top_Rank": -0.0501717, "Placenta_Crossing_L1000_Similarity": -0.179651, "Placenta_Crossing_Structural_Similarity": -0.907808, "Placenta_Crossing_Weighted_Contribution": -0.900036, "Placenta_Crossing_Top_Rank": -0.0894754, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl", "InChI_key": "QADPYRIHXKWUSV-UHFFFAOYSA-N" } }, "CID:53246986": { "type": "Drug", "properties": { "id": "CID:53246986", "label": "LY-2979165", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53246986", "FDA_Category_D_L1000_Similarity": -0.390227, "FDA_Category_D_Structural_Similarity": 0.801796, "FDA_Category_D_Weighted_Contribution": 0.447444, "FDA_Category_D_Top_Rank": -0.0604374, "FDA_Category_X_L1000_Similarity": -0.36449, "FDA_Category_X_Structural_Similarity": -0.710341, "FDA_Category_X_Weighted_Contribution": -0.857538, "FDA_Category_X_Top_Rank": -0.0895424, "FDA_Category_D_and_X_L1000_Similarity": -0.447076, "FDA_Category_D_and_X_Structural_Similarity": 0.253099, "FDA_Category_D_and_X_Weighted_Contribution": -0.131072, "FDA_Category_D_and_X_Top_Rank": -0.0805261, "Placenta_Crossing_L1000_Similarity": -0.253877, "Placenta_Crossing_Structural_Similarity": 0.5302, "Placenta_Crossing_Weighted_Contribution": 0.244774, "Placenta_Crossing_Top_Rank": -0.0687209, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5329": { "type": "Drug", "properties": { "id": "CID:5329", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5329", "label": "sulfamethoxazole", "FDA_Category_D_L1000_Similarity": -0.12397, "FDA_Category_D_Structural_Similarity": -0.346357, "FDA_Category_D_Weighted_Contribution": -0.473833, "FDA_Category_D_Top_Rank": -0.092154, "FDA_Category_X_L1000_Similarity": 0.866996, "FDA_Category_X_Structural_Similarity": -0.00908191, "FDA_Category_X_Weighted_Contribution": 0.302449, "FDA_Category_X_Top_Rank": -0.0752583, "FDA_Category_D_and_X_L1000_Similarity": 0.156424, "FDA_Category_D_and_X_Structural_Similarity": -0.279809, "FDA_Category_D_and_X_Weighted_Contribution": -0.299937, "FDA_Category_D_and_X_Top_Rank": -0.0907374, "Placenta_Crossing_L1000_Similarity": 0.75032, "Placenta_Crossing_Structural_Similarity": 1.72457, "Placenta_Crossing_Weighted_Contribution": 2.03893, "Placenta_Crossing_Top_Rank": 0.000845637, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "JLKIGFTWXXRPMT-UHFFFAOYSA-N" } }, "CID:5329006": { "type": "Drug", "properties": { "id": "CID:5329006", "label": "zm-306416", "lsm": "LSM-2921", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5329006", "FDA_Category_D_L1000_Similarity": -0.982874, "FDA_Category_D_Structural_Similarity": 2.1485, "FDA_Category_D_Weighted_Contribution": 1.5263, "FDA_Category_D_Top_Rank": 0.0746506, "FDA_Category_X_L1000_Similarity": 1.33866, "FDA_Category_X_Structural_Similarity": -0.532993, "FDA_Category_X_Weighted_Contribution": 0.00999985, "FDA_Category_X_Top_Rank": -0.0567507, "FDA_Category_D_and_X_L1000_Similarity": -0.440731, "FDA_Category_D_and_X_Structural_Similarity": 1.41769, "FDA_Category_D_and_X_Weighted_Contribution": 1.03844, "FDA_Category_D_and_X_Top_Rank": -0.0225124, "Placenta_Crossing_L1000_Similarity": 0.0759664, "Placenta_Crossing_Structural_Similarity": -0.497716, "Placenta_Crossing_Weighted_Contribution": -0.520063, "Placenta_Crossing_Top_Rank": -0.0877503, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OC", "InChI_key": "YHUIUSRCUKUUQA-UHFFFAOYSA-N" } }, "CID:5329098": { "type": "Drug", "properties": { "id": "CID:5329098", "label": "semaxanib", "lsm": "LSM-3412", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5329098", "FDA_Category_D_L1000_Similarity": 0.261242, "FDA_Category_D_Structural_Similarity": 4.77638, "FDA_Category_D_Weighted_Contribution": 3.97956, "FDA_Category_D_Top_Rank": 1.00117, "FDA_Category_X_L1000_Similarity": 1.25546, "FDA_Category_X_Structural_Similarity": 0.358468, "FDA_Category_X_Weighted_Contribution": 0.916636, "FDA_Category_X_Top_Rank": -0.0614192, "FDA_Category_D_and_X_L1000_Similarity": 0.606468, "FDA_Category_D_and_X_Structural_Similarity": 3.98451, "FDA_Category_D_and_X_Weighted_Contribution": 3.64669, "FDA_Category_D_and_X_Top_Rank": 0.705666, "Placenta_Crossing_L1000_Similarity": 0.281247, "Placenta_Crossing_Structural_Similarity": 1.22452, "Placenta_Crossing_Weighted_Contribution": 1.25994, "Placenta_Crossing_Top_Rank": -0.0382287, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C", "InChI_key": "WUWDLXZGHZSWQZ-WQLSENKSSA-N" } }, "CID:5329103": { "type": "Drug", "properties": { "id": "CID:5329103", "label": "5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide", "lsm": "LSM-4677", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5329103", "FDA_Category_D_L1000_Similarity": -1.05123, "FDA_Category_D_Structural_Similarity": 2.87257, "FDA_Category_D_Weighted_Contribution": 2.24193, "FDA_Category_D_Top_Rank": 0.1944, "FDA_Category_X_L1000_Similarity": -0.669881, "FDA_Category_X_Structural_Similarity": 0.330009, "FDA_Category_X_Weighted_Contribution": -0.127105, "FDA_Category_X_Top_Rank": -0.0684369, "FDA_Category_D_and_X_L1000_Similarity": -1.10961, "FDA_Category_D_and_X_Structural_Similarity": 2.45807, "FDA_Category_D_and_X_Weighted_Contribution": 1.74566, "FDA_Category_D_and_X_Top_Rank": 0.100568, "Placenta_Crossing_L1000_Similarity": -1.40021, "Placenta_Crossing_Structural_Similarity": 1.64076, "Placenta_Crossing_Weighted_Contribution": 0.789853, "Placenta_Crossing_Top_Rank": -0.009047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)Cl)NC2=O)C", "InChI_key": "XPLJEFSRINKZLC-ATVHPVEESA-N" } }, "CID:5329480": { "type": "Drug", "properties": { "id": "CID:5329480", "label": "gw-583340", "lsm": "LSM-3800", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5329480", "FDA_Category_D_L1000_Similarity": -1.13337, "FDA_Category_D_Structural_Similarity": -0.433218, "FDA_Category_D_Weighted_Contribution": -0.955034, "FDA_Category_D_Top_Rank": -0.0933365, "FDA_Category_X_L1000_Similarity": -0.270779, "FDA_Category_X_Structural_Similarity": -0.653559, "FDA_Category_X_Weighted_Contribution": -0.783934, "FDA_Category_X_Top_Rank": -0.0891352, "FDA_Category_D_and_X_L1000_Similarity": -1.05921, "FDA_Category_D_and_X_Structural_Similarity": -0.696509, "FDA_Category_D_and_X_Weighted_Contribution": -1.06353, "FDA_Category_D_and_X_Top_Rank": -0.0954092, "Placenta_Crossing_L1000_Similarity": -1.18658, "Placenta_Crossing_Structural_Similarity": -0.678037, "Placenta_Crossing_Weighted_Contribution": -1.06655, "Placenta_Crossing_Top_Rank": -0.0911078, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl", "InChI_key": "MNNXRVSQOABRRP-UHFFFAOYSA-N" } }, "CID:53315878": { "type": "Drug", "properties": { "id": "CID:53315878", "label": "UNC-0642", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53315878", "FDA_Category_D_L1000_Similarity": 0.712731, "FDA_Category_X_L1000_Similarity": 2.02624, "FDA_Category_D_and_X_L1000_Similarity": 1.22972, "Placenta_Crossing_L1000_Similarity": 0.574728, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:53315882": { "type": "Drug", "properties": { "id": "CID:53315882", "label": "UNC-0646", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53315882", "FDA_Category_D_L1000_Similarity": 0.769431, "FDA_Category_X_L1000_Similarity": 0.701232, "FDA_Category_D_and_X_L1000_Similarity": 0.876219, "Placenta_Crossing_L1000_Similarity": 0.373236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5335": { "type": "Drug", "properties": { "id": "CID:5335", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5335", "label": "sulfaphenazole", "FDA_Category_D_L1000_Similarity": -0.932927, "FDA_Category_D_Structural_Similarity": 0.312825, "FDA_Category_D_Weighted_Contribution": -0.32, "FDA_Category_D_Top_Rank": -0.0768628, "FDA_Category_X_L1000_Similarity": -0.0383352, "FDA_Category_X_Structural_Similarity": 0.252954, "FDA_Category_X_Weighted_Contribution": 0.10634, "FDA_Category_X_Top_Rank": -0.0714745, "FDA_Category_D_and_X_L1000_Similarity": -0.815832, "FDA_Category_D_and_X_Structural_Similarity": 0.384786, "FDA_Category_D_and_X_Weighted_Contribution": -0.197297, "FDA_Category_D_and_X_Top_Rank": -0.0772022, "Placenta_Crossing_L1000_Similarity": -0.111391, "Placenta_Crossing_Structural_Similarity": 2.25871, "Placenta_Crossing_Weighted_Contribution": 2.13607, "Placenta_Crossing_Top_Rank": 0.0586239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N", "InChI_key": "QWCJHSGMANYXCW-UHFFFAOYSA-N" } }, "CID:53359": { "type": "Drug", "properties": { "id": "CID:53359", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53359", "label": "tolrestat", "FDA_Category_D_L1000_Similarity": 0.0755483, "FDA_Category_D_Structural_Similarity": 1.83664, "FDA_Category_D_Weighted_Contribution": 1.85643, "FDA_Category_D_Top_Rank": 0.0225219, "FDA_Category_X_L1000_Similarity": 1.41919, "FDA_Category_X_Structural_Similarity": 1.03223, "FDA_Category_X_Weighted_Contribution": 1.77455, "FDA_Category_X_Top_Rank": -0.0392485, "FDA_Category_D_and_X_L1000_Similarity": 0.496101, "FDA_Category_D_and_X_Structural_Similarity": 2.01475, "FDA_Category_D_and_X_Weighted_Contribution": 2.20494, "FDA_Category_D_and_X_Top_Rank": 0.0359844, "Placenta_Crossing_L1000_Similarity": 0.587696, "Placenta_Crossing_Structural_Similarity": 1.28131, "Placenta_Crossing_Weighted_Contribution": 1.48875, "Placenta_Crossing_Top_Rank": -0.0340176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC", "InChI_key": "LUBHDINQXIHVLS-UHFFFAOYSA-N" } }, "CID:5339": { "type": "Drug", "properties": { "id": "CID:5339", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5339", "label": "sulfasalazine", "FDA_Category_D_L1000_Similarity": -0.143352, "FDA_Category_D_Structural_Similarity": 0.346486, "FDA_Category_D_Weighted_Contribution": 0.134836, "FDA_Category_D_Top_Rank": -0.0758649, "FDA_Category_X_L1000_Similarity": -0.0337423, "FDA_Category_X_Structural_Similarity": 0.1327, "FDA_Category_X_Weighted_Contribution": -0.010643, "FDA_Category_X_Top_Rank": -0.0759499, "FDA_Category_D_and_X_L1000_Similarity": -0.133817, "FDA_Category_D_and_X_Structural_Similarity": 0.346615, "FDA_Category_D_and_X_Weighted_Contribution": 0.117385, "FDA_Category_D_and_X_Top_Rank": -0.0784317, "Placenta_Crossing_L1000_Similarity": -0.204073, "Placenta_Crossing_Structural_Similarity": 0.309988, "Placenta_Crossing_Weighted_Contribution": 0.0560995, "Placenta_Crossing_Top_Rank": -0.0748244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "InChI_key": "NCEXYHBECQHGNR-QZQOTICOSA-N" } }, "CID:5344": { "type": "Drug", "properties": { "id": "CID:5344", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5344", "label": "sulfisoxazole", "FDA_Category_D_L1000_Similarity": 0.757929, "FDA_Category_D_Structural_Similarity": -0.933427, "FDA_Category_D_Weighted_Contribution": -0.529951, "FDA_Category_D_Top_Rank": -0.0775075, "FDA_Category_X_L1000_Similarity": 0.304276, "FDA_Category_X_Structural_Similarity": -0.744338, "FDA_Category_X_Weighted_Contribution": -0.635466, "FDA_Category_X_Top_Rank": -0.0848998, "FDA_Category_D_and_X_L1000_Similarity": 0.745749, "FDA_Category_D_and_X_Structural_Similarity": -1.14252, "FDA_Category_D_and_X_Weighted_Contribution": -0.7109, "FDA_Category_D_and_X_Top_Rank": -0.0796738, "Placenta_Crossing_L1000_Similarity": 1.41982, "Placenta_Crossing_Structural_Similarity": -0.968216, "Placenta_Crossing_Weighted_Contribution": -0.349593, "Placenta_Crossing_Top_Rank": -0.0468548, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "NHUHCSRWZMLRLA-UHFFFAOYSA-N" } }, "CID:53472153": { "type": "Drug", "properties": { "id": "CID:53472153", "label": "PF-4800567", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53472153", "FDA_Category_D_L1000_Similarity": 0.550955, "FDA_Category_D_Structural_Similarity": 0.0840869, "FDA_Category_D_Weighted_Contribution": 0.277593, "FDA_Category_D_Top_Rank": -0.0830253, "FDA_Category_X_L1000_Similarity": 0.672893, "FDA_Category_X_Structural_Similarity": 0.220346, "FDA_Category_X_Weighted_Contribution": 0.442635, "FDA_Category_X_Top_Rank": -0.072531, "FDA_Category_D_and_X_L1000_Similarity": 0.679277, "FDA_Category_D_and_X_Structural_Similarity": 0.185639, "FDA_Category_D_and_X_Weighted_Contribution": 0.406875, "FDA_Category_D_and_X_Top_Rank": -0.0817059, "Placenta_Crossing_L1000_Similarity": 0.883197, "Placenta_Crossing_Structural_Similarity": -0.382257, "Placenta_Crossing_Weighted_Contribution": -0.0748721, "Placenta_Crossing_Top_Rank": -0.074088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:53484654": { "type": "Drug", "properties": { "id": "CID:53484654", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53484654", "label": "tetrahydrobiopterin", "FDA_Category_D_L1000_Similarity": 1.38802, "FDA_Category_D_Structural_Similarity": -0.779479, "FDA_Category_D_Weighted_Contribution": -0.0827997, "FDA_Category_D_Top_Rank": -0.0261562, "FDA_Category_X_L1000_Similarity": -0.886241, "FDA_Category_X_Structural_Similarity": -0.450689, "FDA_Category_X_Weighted_Contribution": -0.858534, "FDA_Category_X_Top_Rank": -0.08907, "FDA_Category_D_and_X_L1000_Similarity": 0.927353, "FDA_Category_D_and_X_Structural_Similarity": -0.861873, "FDA_Category_D_and_X_Weighted_Contribution": -0.423374, "FDA_Category_D_and_X_Top_Rank": -0.0728864, "Placenta_Crossing_L1000_Similarity": 0.972713, "Placenta_Crossing_Structural_Similarity": -1.05873, "Placenta_Crossing_Weighted_Contribution": -0.601087, "Placenta_Crossing_Top_Rank": -0.0713062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1CNC2=C(N1)C(=O)N=C(N2)N)O)O", "InChI_key": "FNKQXYHWGSIFBK-DGZDMUDUSA-N" } }, "CID:5353609": { "type": "Drug", "properties": { "id": "CID:5353609", "label": "erbstatin-analog", "lsm": "LSM-3976", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353609", "FDA_Category_D_L1000_Similarity": 0.17777, "FDA_Category_D_Structural_Similarity": -0.608306, "FDA_Category_D_Weighted_Contribution": -0.541385, "FDA_Category_D_Top_Rank": -0.0904469, "FDA_Category_X_L1000_Similarity": -0.0983796, "FDA_Category_X_Structural_Similarity": -0.490106, "FDA_Category_X_Weighted_Contribution": -0.593794, "FDA_Category_X_Top_Rank": -0.0882232, "FDA_Category_D_and_X_L1000_Similarity": 0.123362, "FDA_Category_D_and_X_Structural_Similarity": -0.74728, "FDA_Category_D_and_X_Weighted_Contribution": -0.678183, "FDA_Category_D_and_X_Top_Rank": -0.0910709, "Placenta_Crossing_L1000_Similarity": 0.260577, "Placenta_Crossing_Structural_Similarity": -0.811717, "Placenta_Crossing_Weighted_Contribution": -0.68488, "Placenta_Crossing_Top_Rank": -0.0860975, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C=CC1=C(C=CC(=C1)O)O", "InChI_key": "BQCNSTFWSKOWMA-GORDUTHDSA-N" } }, "CID:5353633": { "type": "Drug", "properties": { "id": "CID:5353633", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5353633", "label": "farnesylthiotriazole", "FDA_Category_D_L1000_Similarity": 0.545302, "FDA_Category_D_Structural_Similarity": -0.840091, "FDA_Category_D_Weighted_Contribution": -0.554275, "FDA_Category_D_Top_Rank": -0.0840982, "FDA_Category_X_L1000_Similarity": 0.816791, "FDA_Category_X_Structural_Similarity": -0.728935, "FDA_Category_X_Weighted_Contribution": -0.412032, "FDA_Category_X_Top_Rank": -0.0764906, "FDA_Category_D_and_X_L1000_Similarity": 0.7181, "FDA_Category_D_and_X_Structural_Similarity": -1.06012, "FDA_Category_D_and_X_Weighted_Contribution": -0.663488, "FDA_Category_D_and_X_Top_Rank": -0.0807013, "Placenta_Crossing_L1000_Similarity": 1.06738, "Placenta_Crossing_Structural_Similarity": -0.99711, "Placenta_Crossing_Weighted_Contribution": -0.517293, "Placenta_Crossing_Top_Rank": -0.0678888, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCCC(=CCSC1=NC=NN1)C)C)C", "InChI_key": "QFXNCKFWHATRCH-XGGJEREUSA-N" } }, "CID:5353760": { "type": "Drug", "properties": { "id": "CID:5353760", "label": "methoprene-acid", "lsm": "LSM-1528", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353760", "FDA_Category_D_L1000_Similarity": 0.580807, "FDA_Category_D_Structural_Similarity": 0.95391, "FDA_Category_D_Weighted_Contribution": 1.22172, "FDA_Category_D_Top_Rank": -0.05276, "FDA_Category_X_L1000_Similarity": 0.834028, "FDA_Category_X_Structural_Similarity": 2.91897, "FDA_Category_X_Weighted_Contribution": 3.304, "FDA_Category_X_Top_Rank": 0.193393, "FDA_Category_D_and_X_L1000_Similarity": 0.753935, "FDA_Category_D_and_X_Structural_Similarity": 2.3322, "FDA_Category_D_and_X_Weighted_Contribution": 2.62709, "FDA_Category_D_and_X_Top_Rank": 0.08099, "Placenta_Crossing_L1000_Similarity": 0.989992, "Placenta_Crossing_Structural_Similarity": 2.09748, "Placenta_Crossing_Weighted_Contribution": 2.51414, "Placenta_Crossing_Top_Rank": 0.0408712, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C", "InChI_key": "MNYBEULOKRVZKY-TZOAMJEDSA-N" } }, "CID:5353962": { "type": "Drug", "properties": { "id": "CID:5353962", "label": "st-638", "lsm": "LSM-3139", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353962", "FDA_Category_D_L1000_Similarity": -0.126895, "FDA_Category_D_Structural_Similarity": 2.67278, "FDA_Category_D_Weighted_Contribution": 2.56747, "FDA_Category_D_Top_Rank": 0.16028, "FDA_Category_X_L1000_Similarity": -0.157044, "FDA_Category_X_Structural_Similarity": -0.319975, "FDA_Category_X_Weighted_Contribution": -0.47861, "FDA_Category_X_Top_Rank": -0.0868518, "FDA_Category_D_and_X_L1000_Similarity": -0.157072, "FDA_Category_D_and_X_Structural_Similarity": 1.94876, "FDA_Category_D_and_X_Weighted_Contribution": 1.77124, "FDA_Category_D_and_X_Top_Rank": 0.0289531, "Placenta_Crossing_L1000_Similarity": 0.491494, "Placenta_Crossing_Structural_Similarity": 2.35389, "Placenta_Crossing_Weighted_Contribution": 2.51732, "Placenta_Crossing_Top_Rank": 0.069314, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N", "InChI_key": "YKLMGKWXBLSKPK-ZSOIEALJSA-N" } }, "CID:5361092": { "type": "Drug", "properties": { "id": "CID:5361092", "label": "butorphanol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5361092", "FDA_Category_D_L1000_Similarity": -0.759114, "FDA_Category_D_Structural_Similarity": 1.52307, "FDA_Category_D_Weighted_Contribution": 0.986193, "FDA_Category_D_Top_Rank": -0.0151934, "FDA_Category_X_L1000_Similarity": -1.79309, "FDA_Category_X_Structural_Similarity": 0.383191, "FDA_Category_X_Weighted_Contribution": -0.573551, "FDA_Category_X_Top_Rank": -0.0665456, "FDA_Category_D_and_X_L1000_Similarity": -1.19889, "FDA_Category_D_and_X_Structural_Similarity": 1.41565, "FDA_Category_D_and_X_Weighted_Contribution": 0.587904, "FDA_Category_D_and_X_Top_Rank": -0.0226252, "Placenta_Crossing_L1000_Similarity": -1.4304, "Placenta_Crossing_Structural_Similarity": 1.61484, "Placenta_Crossing_Weighted_Contribution": 0.746072, "Placenta_Crossing_Top_Rank": -0.0112718, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O", "InChI_key": "IFKLAQQSCNILHL-QHAWAJNXSA-N" } }, "CID:5362129": { "type": "Drug", "properties": { "id": "CID:5362129", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5362129", "label": "ramipril", "FDA_Category_D_L1000_Similarity": 1.8299, "FDA_Category_D_Structural_Similarity": 12.2717, "FDA_Category_D_Weighted_Contribution": 4.519, "FDA_Category_D_Top_Rank": 38.1793, "FDA_Category_X_L1000_Similarity": 1.67226, "FDA_Category_X_Structural_Similarity": -0.340604, "FDA_Category_X_Weighted_Contribution": 0.377737, "FDA_Category_X_Top_Rank": -0.0329049, "FDA_Category_D_and_X_L1000_Similarity": 2.08524, "FDA_Category_D_and_X_Structural_Similarity": 9.55642, "FDA_Category_D_and_X_Weighted_Contribution": 4.40193, "FDA_Category_D_and_X_Top_Rank": 38.1758, "Placenta_Crossing_L1000_Similarity": 2.18874, "Placenta_Crossing_Structural_Similarity": 5.53544, "Placenta_Crossing_Weighted_Contribution": 4.27541, "Placenta_Crossing_Top_Rank": 1.40578, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O", "InChI_key": "HDACQVRGBOVJII-JBDAPHQKSA-N" } }, "CID:5377914": { "type": "Drug", "properties": { "id": "CID:5377914", "label": "methylnorlichexanthone", "lsm": "LSM-2724", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5377914", "FDA_Category_D_L1000_Similarity": 0.632511, "FDA_Category_X_L1000_Similarity": -0.546112, "FDA_Category_D_and_X_L1000_Similarity": 0.379396, "Placenta_Crossing_L1000_Similarity": 0.069114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)OC", "InChI_key": "RFENQGQGMLPVJM-UHFFFAOYSA-N" } }, "CID:5391": { "type": "Drug", "properties": { "id": "CID:5391", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5391", "label": "temazepam", "FDA_Category_D_L1000_Similarity": 0.781441, "FDA_Category_D_Structural_Similarity": 2.48025, "FDA_Category_D_Weighted_Contribution": 2.86265, "FDA_Category_D_Top_Rank": 0.129353, "FDA_Category_X_L1000_Similarity": 1.18642, "FDA_Category_X_Structural_Similarity": -0.397705, "FDA_Category_X_Weighted_Contribution": 0.068504, "FDA_Category_X_Top_Rank": -0.0648568, "FDA_Category_D_and_X_L1000_Similarity": 1.03391, "FDA_Category_D_and_X_Structural_Similarity": 1.75401, "FDA_Category_D_and_X_Weighted_Contribution": 2.24409, "FDA_Category_D_and_X_Top_Rank": 0.0108822, "Placenta_Crossing_L1000_Similarity": 0.537827, "Placenta_Crossing_Structural_Similarity": 2.08261, "Placenta_Crossing_Weighted_Contribution": 2.28587, "Placenta_Crossing_Top_Rank": 0.0384107, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3", "InChI_key": "SEQDDYPDSLOBDC-UHFFFAOYSA-N" } }, "CID:5392": { "type": "Drug", "properties": { "id": "CID:5392", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5392", "label": "temefos", "FDA_Category_D_L1000_Similarity": -0.0433929, "FDA_Category_D_Structural_Similarity": 4.18298, "FDA_Category_D_Weighted_Contribution": 3.66388, "FDA_Category_D_Top_Rank": 0.62375, "FDA_Category_X_L1000_Similarity": 0.0968214, "FDA_Category_X_Structural_Similarity": -0.241667, "FDA_Category_X_Weighted_Contribution": -0.30044, "FDA_Category_X_Top_Rank": -0.0853731, "FDA_Category_D_and_X_L1000_Similarity": -0.00800858, "FDA_Category_D_and_X_Structural_Similarity": 3.18969, "FDA_Category_D_and_X_Weighted_Contribution": 2.97218, "FDA_Category_D_and_X_Top_Rank": 0.27224, "Placenta_Crossing_L1000_Similarity": 0.134752, "Placenta_Crossing_Structural_Similarity": 2.83352, "Placenta_Crossing_Weighted_Contribution": 2.77644, "Placenta_Crossing_Top_Rank": 0.154701, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC", "InChI_key": "WWJZWCUNLNYYAU-UHFFFAOYSA-N" } }, "CID:5401": { "type": "Drug", "properties": { "id": "CID:5401", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5401", "label": "terazosin", "FDA_Category_D_L1000_Similarity": 1.14267, "FDA_Category_D_Structural_Similarity": -0.338269, "FDA_Category_D_Weighted_Contribution": 0.201956, "FDA_Category_D_Top_Rank": -0.0544262, "FDA_Category_X_L1000_Similarity": 0.015564, "FDA_Category_X_Structural_Similarity": -0.581313, "FDA_Category_X_Weighted_Contribution": -0.620899, "FDA_Category_X_Top_Rank": -0.0875015, "FDA_Category_D_and_X_L1000_Similarity": 0.989724, "FDA_Category_D_and_X_Structural_Similarity": -0.582163, "FDA_Category_D_and_X_Weighted_Contribution": -0.157577, "FDA_Category_D_and_X_Top_Rank": -0.0698533, "Placenta_Crossing_L1000_Similarity": 1.96747, "Placenta_Crossing_Structural_Similarity": -0.496189, "Placenta_Crossing_Weighted_Contribution": 0.344998, "Placenta_Crossing_Top_Rank": 0.0360356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC", "InChI_key": "VCKUSRYTPJJLNI-UHFFFAOYSA-N" } }, "CID:54260": { "type": "Drug", "properties": { "id": "CID:54260", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54260", "label": "amorolfine", "FDA_Category_D_L1000_Similarity": -0.251823, "FDA_Category_D_Structural_Similarity": -0.734378, "FDA_Category_D_Weighted_Contribution": -0.816229, "FDA_Category_D_Top_Rank": -0.0939673, "FDA_Category_X_L1000_Similarity": 0.163701, "FDA_Category_X_Structural_Similarity": 0.290702, "FDA_Category_X_Weighted_Contribution": 0.24813, "FDA_Category_X_Top_Rank": -0.0701134, "FDA_Category_D_and_X_L1000_Similarity": -0.167361, "FDA_Category_D_and_X_Structural_Similarity": -0.426024, "FDA_Category_D_and_X_Weighted_Contribution": -0.562009, "FDA_Category_D_and_X_Top_Rank": -0.093243, "Placenta_Crossing_L1000_Similarity": 0.055893, "Placenta_Crossing_Structural_Similarity": -0.110583, "Placenta_Crossing_Weighted_Contribution": -0.207595, "Placenta_Crossing_Top_Rank": -0.0843955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C", "InChI_key": "MQHLMHIZUIDKOO-AYHJJNSGSA-N" } }, "CID:54477": { "type": "Drug", "properties": { "id": "CID:54477", "label": "remoxipride", "lsm": "LSM-3202", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54477", "IDG_ID": "2365", "FDA_Category_D_L1000_Similarity": 1.01269, "FDA_Category_D_Structural_Similarity": 4.58984, "FDA_Category_D_Weighted_Contribution": 4.05761, "FDA_Category_D_Top_Rank": 0.853929, "FDA_Category_X_L1000_Similarity": 0.413391, "FDA_Category_X_Structural_Similarity": 0.788575, "FDA_Category_X_Weighted_Contribution": 0.926485, "FDA_Category_X_Top_Rank": -0.0502571, "FDA_Category_D_and_X_L1000_Similarity": 0.998503, "FDA_Category_D_and_X_Structural_Similarity": 4.06853, "FDA_Category_D_and_X_Weighted_Contribution": 3.77303, "FDA_Category_D_and_X_Top_Rank": 0.741344, "Placenta_Crossing_L1000_Similarity": 1.40006, "Placenta_Crossing_Structural_Similarity": 4.555, "Placenta_Crossing_Weighted_Contribution": 4.01872, "Placenta_Crossing_Top_Rank": 0.697964, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC", "InChI_key": "GUJRSXAPGDDABA-NSHDSACASA-N" } }, "CID:5456": { "type": "Drug", "properties": { "id": "CID:5456", "label": "thonzonium", "lsm": "LSM-5312", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5456", "FDA_Category_D_L1000_Similarity": -2.63672, "FDA_Category_D_Structural_Similarity": 0.570317, "FDA_Category_D_Weighted_Contribution": -0.877076, "FDA_Category_D_Top_Rank": -0.0684764, "FDA_Category_X_L1000_Similarity": -3.44987, "FDA_Category_X_Structural_Similarity": -0.35584, "FDA_Category_X_Weighted_Contribution": -1.49403, "FDA_Category_X_Top_Rank": -0.0874691, "FDA_Category_D_and_X_L1000_Similarity": -3.32056, "FDA_Category_D_and_X_Structural_Similarity": 0.260658, "FDA_Category_D_and_X_Weighted_Contribution": -1.22193, "FDA_Category_D_and_X_Top_Rank": -0.0803749, "Placenta_Crossing_L1000_Similarity": -3.88397, "Placenta_Crossing_Structural_Similarity": -0.2764, "Placenta_Crossing_Weighted_Contribution": -1.4935, "Placenta_Crossing_Top_Rank": -0.0871223, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2", "InChI_key": "IOYZYMQFUSNATM-UHFFFAOYSA-N" } }, "CID:54614981": { "type": "Drug", "properties": { "id": "CID:54614981", "label": "SA-426799", "lsm": "LSM-14914", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54614981", "FDA_Category_D_L1000_Similarity": 0.235187, "FDA_Category_X_L1000_Similarity": -0.478139, "FDA_Category_D_and_X_L1000_Similarity": 0.0575386, "Placenta_Crossing_L1000_Similarity": -0.0625644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5462501": { "type": "Drug", "properties": { "id": "CID:5462501", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5462501", "label": "enalaprilat", "FDA_Category_D_L1000_Similarity": 0.300752, "FDA_Category_D_Structural_Similarity": 11.5414, "FDA_Category_D_Weighted_Contribution": 4.51472, "FDA_Category_D_Top_Rank": 19.0381, "FDA_Category_X_L1000_Similarity": 0.332206, "FDA_Category_X_Structural_Similarity": 0.0604929, "FDA_Category_X_Weighted_Contribution": 0.0992655, "FDA_Category_X_Top_Rank": -0.0782837, "FDA_Category_D_and_X_L1000_Similarity": 0.360138, "FDA_Category_D_and_X_Structural_Similarity": 9.19318, "FDA_Category_D_and_X_Weighted_Contribution": 4.38444, "FDA_Category_D_and_X_Top_Rank": 19.0364, "Placenta_Crossing_L1000_Similarity": 0.0698181, "Placenta_Crossing_Structural_Similarity": 7.17745, "Placenta_Crossing_Weighted_Contribution": 4.33181, "Placenta_Crossing_Top_Rank": 5.91809, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O", "InChI_key": "LZFZMUMEGBBDTC-QEJZJMRPSA-N" } }, "CID:54654430": { "type": "Drug", "properties": { "id": "CID:54654430", "label": "SA-1463810", "lsm": "LSM-13562", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654430", "FDA_Category_D_L1000_Similarity": -0.239491, "FDA_Category_X_L1000_Similarity": 1.2267, "FDA_Category_D_and_X_L1000_Similarity": 0.166081, "Placenta_Crossing_L1000_Similarity": -0.225371, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654433": { "type": "Drug", "properties": { "id": "CID:54654433", "label": "SA-1463839", "lsm": "LSM-12850", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654433", "FDA_Category_D_L1000_Similarity": 0.905182, "FDA_Category_X_L1000_Similarity": 1.71317, "FDA_Category_D_and_X_L1000_Similarity": 1.30053, "Placenta_Crossing_L1000_Similarity": 1.10544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654640": { "type": "Drug", "properties": { "id": "CID:54654640", "label": "SA-1472514", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654640", "FDA_Category_D_L1000_Similarity": 0.680754, "FDA_Category_D_Structural_Similarity": -0.461006, "FDA_Category_D_Weighted_Contribution": -0.169958, "FDA_Category_D_Top_Rank": -0.0802991, "FDA_Category_X_L1000_Similarity": -1.06732, "FDA_Category_X_Structural_Similarity": -0.24218, "FDA_Category_X_Weighted_Contribution": -0.77464, "FDA_Category_X_Top_Rank": -0.0853848, "FDA_Category_D_and_X_L1000_Similarity": 0.262699, "FDA_Category_D_and_X_Structural_Similarity": -0.496586, "FDA_Category_D_and_X_Weighted_Contribution": -0.429231, "FDA_Category_D_and_X_Top_Rank": -0.0894754, "Placenta_Crossing_L1000_Similarity": -0.173438, "Placenta_Crossing_Structural_Similarity": -0.471171, "Placenta_Crossing_Weighted_Contribution": -0.596506, "Placenta_Crossing_Top_Rank": -0.0894333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657607": { "type": "Drug", "properties": { "id": "CID:54657607", "label": "SA-1459234", "lsm": "LSM-10316", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657607", "FDA_Category_D_L1000_Similarity": -1.5099, "FDA_Category_X_L1000_Similarity": 0.287094, "FDA_Category_D_and_X_L1000_Similarity": -1.21438, "Placenta_Crossing_L1000_Similarity": -1.07892, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657706": { "type": "Drug", "properties": { "id": "CID:54657706", "label": "SA-1459261", "lsm": "LSM-11889", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657706", "FDA_Category_D_L1000_Similarity": 1.14574, "FDA_Category_X_L1000_Similarity": 0.133402, "FDA_Category_D_and_X_L1000_Similarity": 1.02816, "Placenta_Crossing_L1000_Similarity": 0.8475, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657712": { "type": "Drug", "properties": { "id": "CID:54657712", "label": "SA-1457945", "lsm": "LSM-9056", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657712", "FDA_Category_D_L1000_Similarity": 0.39476, "FDA_Category_X_L1000_Similarity": 0.291296, "FDA_Category_D_and_X_L1000_Similarity": 0.428752, "Placenta_Crossing_L1000_Similarity": 0.284531, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657729": { "type": "Drug", "properties": { "id": "CID:54657729", "label": "SA-1459454", "lsm": "LSM-8880", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657729", "FDA_Category_D_L1000_Similarity": 1.18554, "FDA_Category_X_L1000_Similarity": 0.606822, "FDA_Category_D_and_X_L1000_Similarity": 1.20624, "Placenta_Crossing_L1000_Similarity": 0.323227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657733": { "type": "Drug", "properties": { "id": "CID:54657733", "label": "SA-1459002", "lsm": "LSM-12394", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657733", "FDA_Category_D_L1000_Similarity": -0.587089, "FDA_Category_X_L1000_Similarity": -0.371874, "FDA_Category_D_and_X_L1000_Similarity": -0.619012, "Placenta_Crossing_L1000_Similarity": -0.394738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657753": { "type": "Drug", "properties": { "id": "CID:54657753", "label": "SA-1460110", "lsm": "LSM-13685", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657753", "FDA_Category_D_L1000_Similarity": 0.289315, "FDA_Category_X_L1000_Similarity": 0.517423, "FDA_Category_D_and_X_L1000_Similarity": 0.406523, "Placenta_Crossing_L1000_Similarity": 0.487501, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657755": { "type": "Drug", "properties": { "id": "CID:54657755", "label": "SA-1459830", "lsm": "LSM-13991", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657755", "FDA_Category_D_L1000_Similarity": 0.185028, "FDA_Category_D_Structural_Similarity": -0.661279, "FDA_Category_D_Weighted_Contribution": -0.579085, "FDA_Category_D_Top_Rank": -0.0903849, "FDA_Category_X_L1000_Similarity": -0.46579, "FDA_Category_X_Structural_Similarity": -0.520897, "FDA_Category_X_Weighted_Contribution": -0.758323, "FDA_Category_X_Top_Rank": -0.0899221, "FDA_Category_D_and_X_L1000_Similarity": 0.0180444, "FDA_Category_D_and_X_Structural_Similarity": -0.80594, "FDA_Category_D_and_X_Weighted_Contribution": -0.76012, "FDA_Category_D_and_X_Top_Rank": -0.0920286, "Placenta_Crossing_L1000_Similarity": 0.439373, "Placenta_Crossing_Structural_Similarity": -0.0855044, "Placenta_Crossing_Weighted_Contribution": -0.00877814, "Placenta_Crossing_Top_Rank": -0.0839135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657757": { "type": "Drug", "properties": { "id": "CID:54657757", "label": "SA-1459008", "lsm": "LSM-13005", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657757", "FDA_Category_D_L1000_Similarity": -0.625996, "FDA_Category_X_L1000_Similarity": 0.341056, "FDA_Category_D_and_X_L1000_Similarity": -0.436041, "Placenta_Crossing_L1000_Similarity": -0.599683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658771": { "type": "Drug", "properties": { "id": "CID:54658771", "label": "SA-1459430", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658771", "FDA_Category_D_L1000_Similarity": 0.309503, "FDA_Category_X_L1000_Similarity": 0.820876, "FDA_Category_D_and_X_L1000_Similarity": 0.516077, "Placenta_Crossing_L1000_Similarity": 0.891334, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666572": { "type": "Drug", "properties": { "id": "CID:54666572", "label": "SA-1921617", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666572", "FDA_Category_D_L1000_Similarity": -0.679963, "FDA_Category_X_L1000_Similarity": -0.362688, "FDA_Category_D_and_X_L1000_Similarity": -0.696282, "Placenta_Crossing_L1000_Similarity": -0.098374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666825": { "type": "Drug", "properties": { "id": "CID:54666825", "label": "SA-1922111", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666825", "FDA_Category_D_L1000_Similarity": 0.131987, "FDA_Category_D_Structural_Similarity": -0.502165, "FDA_Category_D_Weighted_Contribution": -0.478591, "FDA_Category_D_Top_Rank": -0.0909449, "FDA_Category_X_L1000_Similarity": 1.24518, "FDA_Category_X_Structural_Similarity": -0.404607, "FDA_Category_X_Weighted_Contribution": 0.0909979, "FDA_Category_X_Top_Rank": -0.0619772, "FDA_Category_D_and_X_L1000_Similarity": 0.49192, "FDA_Category_D_and_X_Structural_Similarity": -0.616899, "FDA_Category_D_and_X_Weighted_Contribution": -0.422663, "FDA_Category_D_and_X_Top_Rank": -0.0857536, "Placenta_Crossing_L1000_Similarity": 0.722809, "Placenta_Crossing_Structural_Similarity": 0.188285, "Placenta_Crossing_Weighted_Contribution": 0.398619, "Placenta_Crossing_Top_Rank": -0.078099, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669304": { "type": "Drug", "properties": { "id": "CID:54669304", "label": "SA-1922927", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669304", "FDA_Category_D_L1000_Similarity": -0.501817, "FDA_Category_X_L1000_Similarity": 0.37337, "FDA_Category_D_and_X_L1000_Similarity": -0.31919, "Placenta_Crossing_L1000_Similarity": -0.305633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54676535": { "type": "Drug", "properties": { "id": "CID:54676535", "label": "scandenin", "lsm": "LSM-3838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54676535", "FDA_Category_D_L1000_Similarity": -0.247579, "FDA_Category_D_Structural_Similarity": -0.137468, "FDA_Category_D_Weighted_Contribution": -0.361516, "FDA_Category_D_Top_Rank": -0.0883088, "FDA_Category_X_L1000_Similarity": -1.44876, "FDA_Category_X_Structural_Similarity": 0.307572, "FDA_Category_X_Weighted_Contribution": -0.494352, "FDA_Category_X_Top_Rank": -0.069514, "FDA_Category_D_and_X_L1000_Similarity": -0.653378, "FDA_Category_D_and_X_Structural_Similarity": 0.0568541, "FDA_Category_D_and_X_Weighted_Contribution": -0.397017, "FDA_Category_D_and_X_Top_Rank": -0.0851724, "Placenta_Crossing_L1000_Similarity": 0.223962, "Placenta_Crossing_Structural_Similarity": 0.204224, "Placenta_Crossing_Weighted_Contribution": 0.162932, "Placenta_Crossing_Top_Rank": -0.0775798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C", "InChI_key": "AAKJUGSASOCUFQ-UHFFFAOYSA-N" } }, "CID:54676537": { "type": "Drug", "properties": { "id": "CID:54676537", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54676537", "label": "acenocoumarol", "ref": "LSM-5112", "FDA_Category_D_L1000_Similarity": -0.404496, "FDA_Category_D_Structural_Similarity": -0.564226, "FDA_Category_D_Weighted_Contribution": -0.76081, "FDA_Category_D_Top_Rank": -0.0947289, "FDA_Category_X_L1000_Similarity": 0.946384, "FDA_Category_X_Structural_Similarity": -0.749285, "FDA_Category_X_Weighted_Contribution": -0.373444, "FDA_Category_X_Top_Rank": -0.0731026, "FDA_Category_D_and_X_L1000_Similarity": -0.0612761, "FDA_Category_D_and_X_Structural_Similarity": -0.852145, "FDA_Category_D_and_X_Weighted_Contribution": -0.820661, "FDA_Category_D_and_X_Top_Rank": -0.0927142, "Placenta_Crossing_L1000_Similarity": 0.527363, "Placenta_Crossing_Structural_Similarity": 2.82919, "Placenta_Crossing_Weighted_Contribution": 2.93284, "Placenta_Crossing_Top_Rank": 0.151203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O", "InChI_key": "VABCILAOYCMVPS-UHFFFAOYSA-N" } }, "CID:5472": { "type": "Drug", "properties": { "id": "CID:5472", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5472", "label": "ticlopidine", "ref": "LSM-1986", "FDA_Category_D_L1000_Similarity": 0.624041, "FDA_Category_D_Structural_Similarity": -0.620388, "FDA_Category_D_Weighted_Contribution": -0.338288, "FDA_Category_D_Top_Rank": -0.0819655, "FDA_Category_X_L1000_Similarity": 0.747942, "FDA_Category_X_Structural_Similarity": -0.732227, "FDA_Category_X_Weighted_Contribution": -0.444323, "FDA_Category_X_Top_Rank": -0.0781107, "FDA_Category_D_and_X_L1000_Similarity": 0.765061, "FDA_Category_D_and_X_Structural_Similarity": -0.887517, "FDA_Category_D_and_X_Weighted_Contribution": -0.515265, "FDA_Category_D_and_X_Top_Rank": -0.0789935, "Placenta_Crossing_L1000_Similarity": 0.0770843, "Placenta_Crossing_Structural_Similarity": -0.195262, "Placenta_Crossing_Weighted_Contribution": -0.271827, "Placenta_Crossing_Top_Rank": -0.0858783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl", "InChI_key": "PHWBOXQYWZNQIN-UHFFFAOYSA-N" } }, "CID:5472495": { "type": "Drug", "properties": { "id": "CID:5472495", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5472495", "label": "exisulind", "FDA_Category_D_L1000_Similarity": -0.248881, "FDA_Category_D_Structural_Similarity": -0.243249, "FDA_Category_D_Weighted_Contribution": -0.449615, "FDA_Category_D_Top_Rank": -0.0903424, "FDA_Category_X_L1000_Similarity": -1.45548, "FDA_Category_X_Structural_Similarity": -0.586596, "FDA_Category_X_Weighted_Contribution": -1.12566, "FDA_Category_X_Top_Rank": -0.0909215, "FDA_Category_D_and_X_L1000_Similarity": -0.656539, "FDA_Category_D_and_X_Structural_Similarity": -0.509594, "FDA_Category_D_and_X_Weighted_Contribution": -0.81484, "FDA_Category_D_and_X_Top_Rank": -0.094084, "Placenta_Crossing_L1000_Similarity": -0.601851, "Placenta_Crossing_Structural_Similarity": 1.76036, "Placenta_Crossing_Weighted_Contribution": 1.35482, "Placenta_Crossing_Top_Rank": 0.00600486, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O", "InChI_key": "MVGSNCBCUWPVDA-MFOYZWKCSA-N" } }, "CID:5497136": { "type": "Drug", "properties": { "id": "CID:5497136", "label": "ceramide", "lsm": "LSM-2927", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5497136", "FDA_Category_D_L1000_Similarity": -0.121953, "FDA_Category_D_Structural_Similarity": -0.947652, "FDA_Category_D_Weighted_Contribution": -0.906262, "FDA_Category_D_Top_Rank": -0.0931812, "FDA_Category_X_L1000_Similarity": 0.912354, "FDA_Category_X_Structural_Similarity": -0.670188, "FDA_Category_X_Weighted_Contribution": -0.31869, "FDA_Category_X_Top_Rank": -0.0741196, "FDA_Category_D_and_X_L1000_Similarity": 0.171928, "FDA_Category_D_and_X_Structural_Similarity": -1.11379, "FDA_Category_D_and_X_Weighted_Contribution": -0.904151, "FDA_Category_D_and_X_Top_Rank": -0.0905798, "Placenta_Crossing_L1000_Similarity": 0.453062, "Placenta_Crossing_Structural_Similarity": -1.02284, "Placenta_Crossing_Weighted_Contribution": -0.764524, "Placenta_Crossing_Top_Rank": -0.0837152, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)O", "InChI_key": "BLTCBVOJNNKFKC-QUDYQQOWSA-N" } }, "CID:5504": { "type": "Drug", "properties": { "id": "CID:5504", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5504", "label": "tolazoline", "FDA_Category_D_L1000_Similarity": 0.321453, "FDA_Category_D_Structural_Similarity": -0.421505, "FDA_Category_D_Weighted_Contribution": -0.319816, "FDA_Category_D_Top_Rank": -0.0885014, "FDA_Category_X_L1000_Similarity": 0.698055, "FDA_Category_X_Structural_Similarity": -0.617467, "FDA_Category_X_Weighted_Contribution": -0.366839, "FDA_Category_X_Top_Rank": -0.0791772, "FDA_Category_D_and_X_L1000_Similarity": 0.489091, "FDA_Category_D_and_X_Structural_Similarity": -0.667737, "FDA_Category_D_and_X_Weighted_Contribution": -0.464436, "FDA_Category_D_and_X_Top_Rank": -0.0858262, "Placenta_Crossing_L1000_Similarity": 0.783755, "Placenta_Crossing_Structural_Similarity": -0.326386, "Placenta_Crossing_Weighted_Contribution": -0.0699077, "Placenta_Crossing_Top_Rank": -0.076779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)CC2=CC=CC=C2", "InChI_key": "JIVZKJJQOZQXQB-UHFFFAOYSA-N" } }, "CID:5509": { "type": "Drug", "properties": { "id": "CID:5509", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5509", "label": "tolmetin", "FDA_Category_D_L1000_Similarity": 0.627593, "FDA_Category_D_Structural_Similarity": -0.57268, "FDA_Category_D_Weighted_Contribution": -0.295704, "FDA_Category_D_Top_Rank": -0.0818793, "FDA_Category_X_L1000_Similarity": -0.808428, "FDA_Category_X_Structural_Similarity": -0.660607, "FDA_Category_X_Weighted_Contribution": -0.973089, "FDA_Category_X_Top_Rank": -0.0908967, "FDA_Category_D_and_X_L1000_Similarity": 0.295476, "FDA_Category_D_and_X_Structural_Similarity": -0.811005, "FDA_Category_D_and_X_Weighted_Contribution": -0.654704, "FDA_Category_D_and_X_Top_Rank": -0.088994, "Placenta_Crossing_L1000_Similarity": 0.820301, "Placenta_Crossing_Structural_Similarity": -1.02188, "Placenta_Crossing_Weighted_Contribution": -0.63118, "Placenta_Crossing_Top_Rank": -0.0757739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O", "InChI_key": "UPSPUYADGBWSHF-UHFFFAOYSA-N" } }, "CID:5517": { "type": "Drug", "properties": { "id": "CID:5517", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5517", "label": "tosufloxacin", "FDA_Category_D_L1000_Similarity": 0.381288, "FDA_Category_D_Structural_Similarity": -0.39158, "FDA_Category_D_Weighted_Contribution": -0.263747, "FDA_Category_D_Top_Rank": -0.0875061, "FDA_Category_X_L1000_Similarity": 0.320996, "FDA_Category_X_Structural_Similarity": -0.440411, "FDA_Category_X_Weighted_Contribution": -0.376999, "FDA_Category_X_Top_Rank": -0.0847178, "FDA_Category_D_and_X_L1000_Similarity": 0.426152, "FDA_Category_D_and_X_Structural_Similarity": -0.548446, "FDA_Category_D_and_X_Weighted_Contribution": -0.397141, "FDA_Category_D_and_X_Top_Rank": -0.0870935, "Placenta_Crossing_L1000_Similarity": 1.82611, "Placenta_Crossing_Structural_Similarity": 1.33176, "Placenta_Crossing_Weighted_Contribution": 2.19131, "Placenta_Crossing_Top_Rank": 0.00500933, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F", "InChI_key": "WUWFMDMBOJLQIV-UHFFFAOYSA-N" } }, "CID:5526": { "type": "Drug", "properties": { "id": "CID:5526", "label": "tranexamic acid", "lsm": "LSM-5332", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5526", "FDA_Category_D_L1000_Similarity": -0.0898388, "FDA_Category_D_Structural_Similarity": 1.59779, "FDA_Category_D_Weighted_Contribution": 1.49613, "FDA_Category_D_Top_Rank": -0.0061322, "FDA_Category_X_L1000_Similarity": 0.240238, "FDA_Category_X_Structural_Similarity": 0.644417, "FDA_Category_X_Weighted_Contribution": 0.668601, "FDA_Category_X_Top_Rank": -0.0559845, "FDA_Category_D_and_X_L1000_Similarity": -0.00449219, "FDA_Category_D_and_X_Structural_Similarity": 1.61591, "FDA_Category_D_and_X_Weighted_Contribution": 1.51163, "FDA_Category_D_and_X_Top_Rank": -0.00404593, "Placenta_Crossing_L1000_Similarity": 0.379658, "Placenta_Crossing_Structural_Similarity": 1.45876, "Placenta_Crossing_Weighted_Contribution": 1.56574, "Placenta_Crossing_Top_Rank": -0.0223825, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "NC[C@H]1CC[C@@H](CC1)C(O)=O", "InChI_key": "GYDJEQRTZSCIOI-LJGSYFOKSA-N" } }, "CID:5531": { "type": "Drug", "properties": { "id": "CID:5531", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5531", "label": "trapidil", "FDA_Category_D_L1000_Similarity": 1.09322, "FDA_Category_D_Structural_Similarity": -0.776487, "FDA_Category_D_Weighted_Contribution": -0.235733, "FDA_Category_D_Top_Rank": -0.0589256, "FDA_Category_X_L1000_Similarity": 1.5178, "FDA_Category_X_Structural_Similarity": -0.755561, "FDA_Category_X_Weighted_Contribution": -0.118424, "FDA_Category_X_Top_Rank": -0.0458035, "FDA_Category_D_and_X_L1000_Similarity": 1.4033, "FDA_Category_D_and_X_Structural_Similarity": -1.02401, "FDA_Category_D_and_X_Weighted_Contribution": -0.33781, "FDA_Category_D_and_X_Top_Rank": -0.0361998, "Placenta_Crossing_L1000_Similarity": 1.19959, "Placenta_Crossing_Structural_Similarity": -0.301519, "Placenta_Crossing_Weighted_Contribution": 0.152457, "Placenta_Crossing_Top_Rank": -0.0618874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C1=CC(=NC2=NC=NN12)C", "InChI_key": "GSNOZLZNQMLSKJ-UHFFFAOYSA-N" } }, "CID:5537": { "type": "Drug", "properties": { "id": "CID:5537", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5537", "label": "trequinsin", "FDA_Category_D_L1000_Similarity": -0.392439, "FDA_Category_D_Structural_Similarity": -0.812177, "FDA_Category_D_Weighted_Contribution": -0.920794, "FDA_Category_D_Top_Rank": -0.094677, "FDA_Category_X_L1000_Similarity": -0.0703044, "FDA_Category_X_Structural_Similarity": 1.84495, "FDA_Category_X_Weighted_Contribution": 1.84969, "FDA_Category_X_Top_Rank": 0.0208806, "FDA_Category_D_and_X_L1000_Similarity": -0.359629, "FDA_Category_D_and_X_Structural_Similarity": 0.350894, "FDA_Category_D_and_X_Weighted_Contribution": 0.00243171, "FDA_Category_D_and_X_Top_Rank": -0.0783044, "Placenta_Crossing_L1000_Similarity": -0.278513, "Placenta_Crossing_Structural_Similarity": 0.559511, "Placenta_Crossing_Weighted_Contribution": 0.261406, "Placenta_Crossing_Top_Rank": -0.0679912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "MCMSJVMUSBZUCN-YYDJUVGSSA-N" } }, "CID:5546": { "type": "Drug", "properties": { "id": "CID:5546", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5546", "label": "triamterene", "ref": "LSM-4060", "FDA_Category_D_L1000_Similarity": 1.09337, "FDA_Category_D_Structural_Similarity": 1.30927, "FDA_Category_D_Weighted_Contribution": 1.92851, "FDA_Category_D_Top_Rank": -0.0336955, "FDA_Category_X_L1000_Similarity": 0.838531, "FDA_Category_X_Structural_Similarity": 3.12135, "FDA_Category_X_Weighted_Contribution": 3.45139, "FDA_Category_X_Top_Rank": 0.249422, "FDA_Category_D_and_X_L1000_Similarity": 1.19714, "FDA_Category_D_and_X_Structural_Similarity": 2.72345, "FDA_Category_D_and_X_Weighted_Contribution": 3.12191, "FDA_Category_D_and_X_Top_Rank": 0.140255, "Placenta_Crossing_L1000_Similarity": -0.137167, "Placenta_Crossing_Structural_Similarity": -0.754984, "Placenta_Crossing_Weighted_Contribution": -0.786053, "Placenta_Crossing_Top_Rank": -0.0892072, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N", "InChI_key": "FNYLWPVRPXGIIP-UHFFFAOYSA-N" } }, "CID:5568": { "type": "Drug", "properties": { "id": "CID:5568", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5568", "label": "triflupromazine", "FDA_Category_D_L1000_Similarity": -0.740079, "FDA_Category_D_Structural_Similarity": -0.502417, "FDA_Category_D_Weighted_Contribution": -0.852248, "FDA_Category_D_Top_Rank": -0.0941381, "FDA_Category_X_L1000_Similarity": 1.75324, "FDA_Category_X_Structural_Similarity": -0.216174, "FDA_Category_X_Weighted_Contribution": 0.555116, "FDA_Category_X_Top_Rank": -0.0248278, "FDA_Category_D_and_X_L1000_Similarity": -0.105527, "FDA_Category_D_and_X_Structural_Similarity": -0.515422, "FDA_Category_D_and_X_Weighted_Contribution": -0.602958, "FDA_Category_D_and_X_Top_Rank": -0.0930241, "Placenta_Crossing_L1000_Similarity": -0.77939, "Placenta_Crossing_Structural_Similarity": 1.43244, "Placenta_Crossing_Weighted_Contribution": 0.903771, "Placenta_Crossing_Top_Rank": -0.0249551, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F", "InChI_key": "XSCGXQMFQXDFCW-UHFFFAOYSA-N" } }, "CID:5574": { "type": "Drug", "properties": { "id": "CID:5574", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5574", "label": "alimemazine", "FDA_Category_D_L1000_Similarity": -2.09575, "FDA_Category_D_Structural_Similarity": -0.793238, "FDA_Category_D_Weighted_Contribution": -1.41605, "FDA_Category_D_Top_Rank": -0.0964591, "FDA_Category_X_L1000_Similarity": 1.4233, "FDA_Category_X_Structural_Similarity": -0.630655, "FDA_Category_X_Weighted_Contribution": -0.0439725, "FDA_Category_X_Top_Rank": -0.0516038, "FDA_Category_D_and_X_L1000_Similarity": -1.37433, "FDA_Category_D_and_X_Structural_Similarity": -0.969902, "FDA_Category_D_and_X_Weighted_Contribution": -1.28565, "FDA_Category_D_and_X_Top_Rank": -0.096577, "Placenta_Crossing_L1000_Similarity": -1.89352, "Placenta_Crossing_Structural_Similarity": 1.15223, "Placenta_Crossing_Weighted_Contribution": 0.0420846, "Placenta_Crossing_Top_Rank": -0.0425611, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C", "InChI_key": "ZZHLYYDVIOPZBE-UHFFFAOYSA-N" } }, "CID:5577": { "type": "Drug", "properties": { "id": "CID:5577", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5577", "label": "trimethobenzamide", "FDA_Category_D_L1000_Similarity": 1.64876, "FDA_Category_D_Structural_Similarity": 1.7817, "FDA_Category_D_Weighted_Contribution": 2.70052, "FDA_Category_D_Top_Rank": 0.0270807, "FDA_Category_X_L1000_Similarity": 0.0313489, "FDA_Category_X_Structural_Similarity": 4.37288, "FDA_Category_X_Weighted_Contribution": 3.93789, "FDA_Category_X_Top_Rank": 0.762227, "FDA_Category_D_and_X_L1000_Similarity": 1.43078, "FDA_Category_D_and_X_Structural_Similarity": 3.77375, "FDA_Category_D_and_X_Weighted_Contribution": 3.75263, "FDA_Category_D_and_X_Top_Rank": 0.564612, "Placenta_Crossing_L1000_Similarity": 1.27198, "Placenta_Crossing_Structural_Similarity": 0.241353, "Placenta_Crossing_Weighted_Contribution": 0.743363, "Placenta_Crossing_Top_Rank": -0.0576134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC", "InChI_key": "FEZBIKUBAYAZIU-UHFFFAOYSA-N" } }, "CID:5578": { "type": "Drug", "properties": { "id": "CID:5578", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5578", "label": "trimethoprim", "FDA_Category_D_L1000_Similarity": -0.951915, "FDA_Category_X_L1000_Similarity": -0.214284, "FDA_Category_D_and_X_L1000_Similarity": -0.885634, "Placenta_Crossing_L1000_Similarity": -0.121882, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N", "InChI_key": "IEDVJHCEMCRBQM-UHFFFAOYSA-N" } }, "CID:5625": { "type": "Drug", "properties": { "id": "CID:5625", "label": "delavirdine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5625", "FDA_Category_D_L1000_Similarity": -0.471742, "FDA_Category_D_Structural_Similarity": -0.616296, "FDA_Category_D_Weighted_Contribution": -0.823436, "FDA_Category_D_Top_Rank": -0.0950255, "FDA_Category_X_L1000_Similarity": 0.426807, "FDA_Category_X_Structural_Similarity": -0.209295, "FDA_Category_X_Weighted_Contribution": -0.118113, "FDA_Category_X_Top_Rank": -0.0834481, "FDA_Category_D_and_X_L1000_Similarity": -0.277041, "FDA_Category_D_and_X_Structural_Similarity": -0.602097, "FDA_Category_D_and_X_Weighted_Contribution": -0.733785, "FDA_Category_D_and_X_Top_Rank": -0.0940833, "Placenta_Crossing_L1000_Similarity": -0.274106, "Placenta_Crossing_Structural_Similarity": 0.19092, "Placenta_Crossing_Weighted_Contribution": -0.0875909, "Placenta_Crossing_Top_Rank": -0.0780003, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C", "InChI_key": "WHBIGIKBNXZKFE-UHFFFAOYSA-N" } }, "CID:56640146": { "type": "Drug", "properties": { "id": "CID:56640146", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID56640146", "label": "dasabuvir", "FDA_Category_D_L1000_Similarity": 0.947443, "FDA_Category_D_Structural_Similarity": 1.17787, "FDA_Category_D_Weighted_Contribution": 1.69874, "FDA_Category_D_Top_Rank": -0.0413857, "FDA_Category_X_L1000_Similarity": -0.364753, "FDA_Category_X_Structural_Similarity": 1.78635, "FDA_Category_X_Weighted_Contribution": 1.61859, "FDA_Category_X_Top_Rank": 0.0147038, "FDA_Category_D_and_X_L1000_Similarity": 0.705939, "FDA_Category_D_and_X_Structural_Similarity": 1.89879, "FDA_Category_D_and_X_Weighted_Contribution": 2.20655, "FDA_Category_D_and_X_Top_Rank": 0.0237082, "Placenta_Crossing_L1000_Similarity": 0.103215, "Placenta_Crossing_Structural_Similarity": 0.0509405, "Placenta_Crossing_Weighted_Contribution": -0.040398, "Placenta_Crossing_Top_Rank": -0.0811907, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O", "InChI_key": "NBRBXGKOEOGLOI-UHFFFAOYSA-N" } }, "CID:5665": { "type": "Drug", "properties": { "id": "CID:5665", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5665", "label": "vigabatrin", "FDA_Category_D_L1000_Similarity": -0.386153, "FDA_Category_D_Structural_Similarity": -0.940358, "FDA_Category_D_Weighted_Contribution": -0.997245, "FDA_Category_D_Top_Rank": -0.0946508, "FDA_Category_X_L1000_Similarity": 1.10458, "FDA_Category_X_Structural_Similarity": -0.664075, "FDA_Category_X_Weighted_Contribution": -0.226122, "FDA_Category_X_Top_Rank": -0.067938, "FDA_Category_D_and_X_L1000_Similarity": 0.00256431, "FDA_Category_D_and_X_Structural_Similarity": -1.10471, "FDA_Category_D_and_X_Weighted_Contribution": -0.956406, "FDA_Category_D_and_X_Top_Rank": -0.0921684, "Placenta_Crossing_L1000_Similarity": -0.00958881, "Placenta_Crossing_Structural_Similarity": -1.02891, "Placenta_Crossing_Weighted_Contribution": -0.92181, "Placenta_Crossing_Top_Rank": -0.0884306, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC(CCC(=O)O)N", "InChI_key": "PJDFLNIOAUIZSL-UHFFFAOYSA-N" } }, "CID:56676725": { "type": "Drug", "properties": { "id": "CID:56676725", "label": "bix-01338", "lsm": "LSM-4923", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56676725", "FDA_Category_D_L1000_Similarity": -0.593975, "FDA_Category_D_Structural_Similarity": 0.0872285, "FDA_Category_D_Weighted_Contribution": -0.343067, "FDA_Category_D_Top_Rank": -0.0828906, "FDA_Category_X_L1000_Similarity": 1.44336, "FDA_Category_X_Structural_Similarity": -0.470985, "FDA_Category_X_Weighted_Contribution": 0.123983, "FDA_Category_X_Top_Rank": -0.0507558, "FDA_Category_D_and_X_L1000_Similarity": -0.0736901, "FDA_Category_D_and_X_Structural_Similarity": -0.184907, "FDA_Category_D_and_X_Weighted_Contribution": -0.328528, "FDA_Category_D_and_X_Top_Rank": -0.0899816, "Placenta_Crossing_L1000_Similarity": 0.279388, "Placenta_Crossing_Structural_Similarity": -0.607197, "Placenta_Crossing_Weighted_Contribution": -0.524948, "Placenta_Crossing_Top_Rank": -0.0858768, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN3C4=C(C=C(C=C4)C(=O)O)N=C3NC(=O)C5=CC=C(C=C5)C(F)(F)F", "InChI_key": "OWNQZZTXPWICRQ-UHFFFAOYSA-N" } }, "CID:56928031": { "type": "Drug", "properties": { "id": "CID:56928031", "label": "KUC111109N", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56928031", "FDA_Category_D_L1000_Similarity": -0.628226, "FDA_Category_D_Structural_Similarity": -0.158731, "FDA_Category_D_Weighted_Contribution": -0.558802, "FDA_Category_D_Top_Rank": -0.0886927, "FDA_Category_X_L1000_Similarity": -0.711772, "FDA_Category_X_Structural_Similarity": -0.702277, "FDA_Category_X_Weighted_Contribution": -0.968759, "FDA_Category_X_Top_Rank": -0.0906773, "FDA_Category_D_and_X_L1000_Similarity": -0.757693, "FDA_Category_D_and_X_Structural_Similarity": -0.504933, "FDA_Category_D_and_X_Weighted_Contribution": -0.848706, "FDA_Category_D_and_X_Top_Rank": -0.0940489, "Placenta_Crossing_L1000_Similarity": -0.25112, "Placenta_Crossing_Structural_Similarity": 1.1507, "Placenta_Crossing_Weighted_Contribution": 0.889036, "Placenta_Crossing_Top_Rank": -0.0426185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5694": { "type": "Drug", "properties": { "id": "CID:5694", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5694", "label": "pirinixic-acid", "FDA_Category_D_L1000_Similarity": 0.323709, "FDA_Category_D_Structural_Similarity": 1.08199, "FDA_Category_D_Weighted_Contribution": 1.19712, "FDA_Category_D_Top_Rank": -0.0465008, "FDA_Category_X_L1000_Similarity": 1.14019, "FDA_Category_X_Structural_Similarity": -0.682255, "FDA_Category_X_Weighted_Contribution": -0.226454, "FDA_Category_X_Top_Rank": -0.0666183, "FDA_Category_D_and_X_L1000_Similarity": 0.625299, "FDA_Category_D_and_X_Structural_Similarity": 0.490651, "FDA_Category_D_and_X_Weighted_Contribution": 0.689404, "FDA_Category_D_and_X_Top_Rank": -0.0741751, "Placenta_Crossing_L1000_Similarity": 0.820397, "Placenta_Crossing_Structural_Similarity": 2.42985, "Placenta_Crossing_Weighted_Contribution": 2.72975, "Placenta_Crossing_Top_Rank": 0.0792075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C", "InChI_key": "SZRPDCCEHVWOJX-UHFFFAOYSA-N" } }, "CID:56962336": { "type": "Drug", "properties": { "id": "CID:56962336", "label": "EPZ-004777", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56962336", "FDA_Category_D_L1000_Similarity": 0.783441, "FDA_Category_D_Structural_Similarity": 0.0366232, "FDA_Category_D_Weighted_Contribution": 0.367406, "FDA_Category_D_Top_Rank": -0.0766569, "FDA_Category_X_L1000_Similarity": 0.504851, "FDA_Category_X_Structural_Similarity": -0.465904, "FDA_Category_X_Weighted_Contribution": -0.318364, "FDA_Category_X_Top_Rank": -0.0824557, "FDA_Category_D_and_X_L1000_Similarity": 0.828649, "FDA_Category_D_and_X_Structural_Similarity": -0.222332, "FDA_Category_D_and_X_Weighted_Contribution": 0.0894366, "FDA_Category_D_and_X_Top_Rank": -0.0767044, "Placenta_Crossing_L1000_Similarity": 0.824423, "Placenta_Crossing_Structural_Similarity": -0.31003, "Placenta_Crossing_Weighted_Contribution": -0.0358668, "Placenta_Crossing_Top_Rank": -0.0756511, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:56973724": { "type": "Drug", "properties": { "id": "CID:56973724", "label": "AZ-3146", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56973724", "FDA_Category_D_L1000_Similarity": -1.08868, "FDA_Category_D_Structural_Similarity": -0.705984, "FDA_Category_D_Weighted_Contribution": -1.09883, "FDA_Category_D_Top_Rank": -0.0958939, "FDA_Category_X_L1000_Similarity": -0.721729, "FDA_Category_X_Structural_Similarity": -0.634425, "FDA_Category_X_Weighted_Contribution": -0.927488, "FDA_Category_X_Top_Rank": -0.0907027, "FDA_Category_D_and_X_L1000_Similarity": -1.15764, "FDA_Category_D_and_X_Structural_Similarity": -0.902682, "FDA_Category_D_and_X_Weighted_Contribution": -1.19843, "FDA_Category_D_and_X_Top_Rank": -0.0963874, "Placenta_Crossing_L1000_Similarity": -1.08514, "Placenta_Crossing_Structural_Similarity": -0.688123, "Placenta_Crossing_Weighted_Contribution": -1.04334, "Placenta_Crossing_Top_Rank": -0.0911731, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5702153": { "type": "Drug", "properties": { "id": "CID:5702153", "label": "cinchonine", "lsm": "LSM-2310", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702153", "FDA_Category_D_L1000_Similarity": 0.43781, "FDA_Category_X_L1000_Similarity": 0.49512, "FDA_Category_D_and_X_L1000_Similarity": 0.527756, "Placenta_Crossing_L1000_Similarity": 0.756039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O", "InChI_key": "KMPWYEUPVWOPIM-YXUGBTPSSA-N" } }, "CID:5702166": { "type": "Drug", "properties": { "id": "CID:5702166", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702166", "label": "Peruvoside", "FDA_Category_D_L1000_Similarity": -1.25561, "FDA_Category_D_Structural_Similarity": -0.402973, "FDA_Category_D_Weighted_Contribution": -0.980267, "FDA_Category_D_Top_Rank": -0.0929735, "FDA_Category_X_L1000_Similarity": -1.13612, "FDA_Category_X_Structural_Similarity": 0.90524, "FDA_Category_X_Weighted_Contribution": 0.211069, "FDA_Category_X_Top_Rank": -0.0453477, "FDA_Category_D_and_X_L1000_Similarity": -1.42736, "FDA_Category_D_and_X_Structural_Similarity": 0.168619, "FDA_Category_D_and_X_Weighted_Contribution": -0.644684, "FDA_Category_D_and_X_Top_Rank": -0.0823144, "Placenta_Crossing_L1000_Similarity": -0.842034, "Placenta_Crossing_Structural_Similarity": 1.09565, "Placenta_Crossing_Weighted_Contribution": 0.514896, "Placenta_Crossing_Top_Rank": -0.0457554, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5703601": { "type": "Drug", "properties": { "id": "CID:5703601", "label": "sew-05685", "lsm": "LSM-4687", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5703601", "FDA_Category_D_L1000_Similarity": -0.24629, "FDA_Category_X_L1000_Similarity": 0.301508, "FDA_Category_D_and_X_L1000_Similarity": -0.120739, "Placenta_Crossing_L1000_Similarity": -0.273934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(OC(=C1S(=O)(=O)C(=CC2=CC(=CC(=C2)Cl)Cl)C#N)N)C", "InChI_key": "VXDZPPNEVUVXEP-WLRTZDKTSA-N" } }, "CID:5713": { "type": "Drug", "properties": { "id": "CID:5713", "label": "yo-2", "lsm": "LSM-1261", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5713", "FDA_Category_D_L1000_Similarity": 1.43755, "FDA_Category_D_Structural_Similarity": 0.689088, "FDA_Category_D_Weighted_Contribution": 1.48058, "FDA_Category_D_Top_Rank": -0.0195455, "FDA_Category_X_L1000_Similarity": 1.33705, "FDA_Category_X_Structural_Similarity": -0.169176, "FDA_Category_X_Weighted_Contribution": 0.381648, "FDA_Category_X_Top_Rank": -0.0569999, "FDA_Category_D_and_X_L1000_Similarity": 1.64523, "FDA_Category_D_and_X_Structural_Similarity": 0.455652, "FDA_Category_D_and_X_Weighted_Contribution": 1.2604, "FDA_Category_D_and_X_Top_Rank": 0.000227322, "Placenta_Crossing_L1000_Similarity": 0.372714, "Placenta_Crossing_Structural_Similarity": 0.26277, "Placenta_Crossing_Weighted_Contribution": 0.294837, "Placenta_Crossing_Top_Rank": -0.0761525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCNC(=O)C(CC1=CC=C(C=C1)OCC2=CC=NC=C2)NC(=O)C3CCC(CC3)CN", "InChI_key": "ZBCXDUNUUKRQSV-UHFFFAOYSA-N" } }, "CID:5714": { "type": "Drug", "properties": { "id": "CID:5714", "label": "ys-035", "lsm": "LSM-2117", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5714", "FDA_Category_D_L1000_Similarity": 0.89116, "FDA_Category_D_Structural_Similarity": 0.382263, "FDA_Category_D_Weighted_Contribution": 0.797201, "FDA_Category_D_Top_Rank": -0.07194, "FDA_Category_X_L1000_Similarity": 0.425736, "FDA_Category_X_Structural_Similarity": -0.302963, "FDA_Category_X_Weighted_Contribution": -0.206383, "FDA_Category_X_Top_Rank": -0.0834598, "FDA_Category_D_and_X_L1000_Similarity": 0.897483, "FDA_Category_D_and_X_Structural_Similarity": 0.13993, "FDA_Category_D_and_X_Weighted_Contribution": 0.484591, "FDA_Category_D_and_X_Top_Rank": -0.0741751, "Placenta_Crossing_L1000_Similarity": 1.07218, "Placenta_Crossing_Structural_Similarity": -0.489441, "Placenta_Crossing_Weighted_Contribution": -0.0852037, "Placenta_Crossing_Top_Rank": -0.0675777, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC", "InChI_key": "OXZMQFKVNVQMLI-UHFFFAOYSA-N" } }, "CID:5717737": { "type": "Drug", "properties": { "id": "CID:5717737", "label": "SAL-003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5717737", "FDA_Category_D_L1000_Similarity": -1.14572, "FDA_Category_D_Structural_Similarity": -0.0933333, "FDA_Category_D_Weighted_Contribution": -0.734921, "FDA_Category_D_Top_Rank": -0.0874034, "FDA_Category_X_L1000_Similarity": -1.54116, "FDA_Category_X_Structural_Similarity": -0.519328, "FDA_Category_X_Weighted_Contribution": -1.11151, "FDA_Category_X_Top_Rank": -0.0900879, "FDA_Category_D_and_X_L1000_Similarity": -1.45565, "FDA_Category_D_and_X_Structural_Similarity": -0.354307, "FDA_Category_D_and_X_Weighted_Contribution": -0.99585, "FDA_Category_D_and_X_Top_Rank": -0.0923923, "Placenta_Crossing_L1000_Similarity": -1.37554, "Placenta_Crossing_Structural_Similarity": -0.649459, "Placenta_Crossing_Weighted_Contribution": -1.10335, "Placenta_Crossing_Top_Rank": -0.0909075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:57242": { "type": "Drug", "properties": { "id": "CID:57242", "label": "ly-16350", "lsm": "LSM-2277", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57242", "FDA_Category_D_L1000_Similarity": 0.237981, "FDA_Category_D_Structural_Similarity": -0.92533, "FDA_Category_D_Weighted_Contribution": -0.75023, "FDA_Category_D_Top_Rank": -0.0896677, "FDA_Category_X_L1000_Similarity": 0.619729, "FDA_Category_X_Structural_Similarity": -0.689318, "FDA_Category_X_Weighted_Contribution": -0.462323, "FDA_Category_X_Top_Rank": -0.0807026, "FDA_Category_D_and_X_L1000_Similarity": 0.393343, "FDA_Category_D_and_X_Structural_Similarity": -1.1064, "FDA_Category_D_and_X_Weighted_Contribution": -0.820275, "FDA_Category_D_and_X_Top_Rank": -0.0875455, "Placenta_Crossing_L1000_Similarity": 0.632884, "Placenta_Crossing_Structural_Similarity": -0.964636, "Placenta_Crossing_Weighted_Contribution": -0.6589, "Placenta_Crossing_Top_Rank": -0.0803128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1CCCC2C1CC3=CN=C(N=C3C2)N", "InChI_key": "TUFADSGTJUOBEH-ZWNOBZJWSA-N" } }, "CID:57267": { "type": "Drug", "properties": { "id": "CID:57267", "label": "eticlopride", "lsm": "LSM-3109", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57267", "FDA_Category_D_L1000_Similarity": -0.454583, "FDA_Category_D_Structural_Similarity": 3.32613, "FDA_Category_D_Weighted_Contribution": 2.96128, "FDA_Category_D_Top_Rank": 0.295644, "FDA_Category_X_L1000_Similarity": 0.615445, "FDA_Category_X_Structural_Similarity": 0.266551, "FDA_Category_X_Weighted_Contribution": 0.461373, "FDA_Category_X_Top_Rank": -0.0711203, "FDA_Category_D_and_X_L1000_Similarity": -0.204966, "FDA_Category_D_and_X_Structural_Similarity": 2.78382, "FDA_Category_D_and_X_Weighted_Contribution": 2.55242, "FDA_Category_D_and_X_Top_Rank": 0.148792, "Placenta_Crossing_L1000_Similarity": -0.201928, "Placenta_Crossing_Structural_Similarity": 3.46679, "Placenta_Crossing_Weighted_Contribution": 3.13069, "Placenta_Crossing_Top_Rank": 0.341899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Cl", "InChI_key": "AADCDMQTJNYOSS-LBPRGKRZSA-N" } }, "CID:5748555": { "type": "Drug", "properties": { "id": "CID:5748555", "label": "mammea-a", "lsm": "LSM-4064", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5748555", "FDA_Category_D_L1000_Similarity": -1.18954, "FDA_Category_D_Structural_Similarity": 0.569944, "FDA_Category_D_Weighted_Contribution": -0.227199, "FDA_Category_D_Top_Rank": -0.0685599, "FDA_Category_X_L1000_Similarity": -1.34543, "FDA_Category_X_Structural_Similarity": 0.313894, "FDA_Category_X_Weighted_Contribution": -0.445526, "FDA_Category_X_Top_Rank": -0.0691969, "FDA_Category_D_and_X_L1000_Similarity": -1.43399, "FDA_Category_D_and_X_Structural_Similarity": 0.621748, "FDA_Category_D_and_X_Weighted_Contribution": -0.291472, "FDA_Category_D_and_X_Top_Rank": -0.070006, "Placenta_Crossing_L1000_Similarity": -1.43794, "Placenta_Crossing_Structural_Similarity": 1.09954, "Placenta_Crossing_Weighted_Contribution": 0.213916, "Placenta_Crossing_Top_Rank": -0.045499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O", "InChI_key": "SBHOAZQBEGVQLJ-UHFFFAOYSA-N" } }, "CID:5749": { "type": "Drug", "properties": { "id": "CID:5749", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5749", "label": "oxyphenonium", "FDA_Category_D_L1000_Similarity": 0.552704, "FDA_Category_D_Structural_Similarity": 0.33511, "FDA_Category_D_Weighted_Contribution": 0.536408, "FDA_Category_D_Top_Rank": -0.0762479, "FDA_Category_X_L1000_Similarity": -0.0907277, "FDA_Category_X_Structural_Similarity": -0.314801, "FDA_Category_X_Weighted_Contribution": -0.446234, "FDA_Category_X_Top_Rank": -0.0867599, "FDA_Category_D_and_X_L1000_Similarity": 0.448886, "FDA_Category_D_and_X_Structural_Similarity": 0.096116, "FDA_Category_D_and_X_Weighted_Contribution": 0.19056, "FDA_Category_D_and_X_Top_Rank": -0.0841243, "Placenta_Crossing_L1000_Similarity": 0.489893, "Placenta_Crossing_Structural_Similarity": -0.636917, "Placenta_Crossing_Weighted_Contribution": -0.464285, "Placenta_Crossing_Top_Rank": -0.0831501, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O", "InChI_key": "GFRUPHOKLBPHTQ-UHFFFAOYSA-N" } }, "CID:5775": { "type": "Drug", "properties": { "id": "CID:5775", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5775", "label": "phentolamine", "FDA_Category_D_L1000_Similarity": 1.37975, "FDA_Category_D_Structural_Similarity": -0.617764, "FDA_Category_D_Weighted_Contribution": 0.0648521, "FDA_Category_D_Top_Rank": -0.0275742, "FDA_Category_X_L1000_Similarity": 3.46444, "FDA_Category_X_Structural_Similarity": -0.658806, "FDA_Category_X_Weighted_Contribution": 1.0163, "FDA_Category_X_Top_Rank": 1.65016, "FDA_Category_D_and_X_L1000_Similarity": 2.24144, "FDA_Category_D_and_X_Structural_Similarity": -0.845817, "FDA_Category_D_and_X_Weighted_Contribution": 0.251895, "FDA_Category_D_and_X_Top_Rank": 0.249217, "Placenta_Crossing_L1000_Similarity": 1.86049, "Placenta_Crossing_Structural_Similarity": -0.290361, "Placenta_Crossing_Weighted_Contribution": 0.499415, "Placenta_Crossing_Top_Rank": 0.0119545, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O", "InChI_key": "MRBDMNSDAVCSSF-UHFFFAOYSA-N" } }, "CID:57782": { "type": "Drug", "properties": { "id": "CID:57782", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57782", "label": "Lisofylline", "FDA_Category_D_L1000_Similarity": 1.02977, "FDA_Category_D_Structural_Similarity": 0.759914, "FDA_Category_D_Weighted_Contribution": 1.29717, "FDA_Category_D_Top_Rank": -0.0620266, "FDA_Category_X_L1000_Similarity": 1.12077, "FDA_Category_X_Structural_Similarity": -0.0491135, "FDA_Category_X_Weighted_Contribution": 0.394224, "FDA_Category_X_Top_Rank": -0.0673616, "FDA_Category_D_and_X_L1000_Similarity": 1.22803, "FDA_Category_D_and_X_Structural_Similarity": 0.576652, "FDA_Category_D_and_X_Weighted_Contribution": 1.13949, "FDA_Category_D_and_X_Top_Rank": -0.0528522, "Placenta_Crossing_L1000_Similarity": 0.556734, "Placenta_Crossing_Structural_Similarity": 1.02885, "Placenta_Crossing_Weighted_Contribution": 1.19948, "Placenta_Crossing_Top_Rank": -0.0486492, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5788723": { "type": "Drug", "properties": { "id": "CID:5788723", "label": "gbr-12783", "lsm": "LSM-2743", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5788723", "FDA_Category_D_L1000_Similarity": -1.84158, "FDA_Category_D_Structural_Similarity": 2.09312, "FDA_Category_D_Weighted_Contribution": 0.916784, "FDA_Category_D_Top_Rank": 0.0652662, "FDA_Category_X_L1000_Similarity": 1.10773, "FDA_Category_X_Structural_Similarity": -0.667654, "FDA_Category_X_Weighted_Contribution": -0.227962, "FDA_Category_X_Top_Rank": -0.0677202, "FDA_Category_D_and_X_L1000_Similarity": -1.25108, "FDA_Category_D_and_X_Structural_Similarity": 1.30107, "FDA_Category_D_and_X_Weighted_Contribution": 0.440582, "FDA_Category_D_and_X_Top_Rank": -0.0316272, "Placenta_Crossing_L1000_Similarity": -0.958403, "Placenta_Crossing_Structural_Similarity": -0.932014, "Placenta_Crossing_Weighted_Contribution": -1.14091, "Placenta_Crossing_Top_Rank": -0.0917587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC=CC=C4", "InChI_key": "XFBDGHFDKJITGC-JLHYYAGUSA-N" } }, "CID:5803": { "type": "Drug", "properties": { "id": "CID:5803", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5803", "label": "tiratricol", "FDA_Category_D_L1000_Similarity": 1.0932, "FDA_Category_D_Structural_Similarity": 0.931347, "FDA_Category_D_Weighted_Contribution": 1.52474, "FDA_Category_D_Top_Rank": -0.0539254, "FDA_Category_X_L1000_Similarity": 1.05514, "FDA_Category_X_Structural_Similarity": -0.545602, "FDA_Category_X_Weighted_Contribution": -0.138826, "FDA_Category_X_Top_Rank": -0.0696774, "FDA_Category_D_and_X_L1000_Similarity": 1.26279, "FDA_Category_D_and_X_Structural_Similarity": 0.444818, "FDA_Category_D_and_X_Weighted_Contribution": 1.01927, "FDA_Category_D_and_X_Top_Rank": -0.0504622, "Placenta_Crossing_L1000_Similarity": 0.631836, "Placenta_Crossing_Structural_Similarity": 0.702667, "Placenta_Crossing_Weighted_Contribution": 0.888929, "Placenta_Crossing_Top_Rank": -0.0631194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O", "InChI_key": "UOWZUVNAGUAEQC-UHFFFAOYSA-N" } }, "CID:58144": { "type": "Drug", "properties": { "id": "CID:58144", "label": "indolophenanthridine", "lsm": "LSM-3788", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/58144", "FDA_Category_D_L1000_Similarity": -0.994367, "FDA_Category_D_Structural_Similarity": -0.729774, "FDA_Category_D_Weighted_Contribution": -1.08139, "FDA_Category_D_Top_Rank": -0.0960693, "FDA_Category_X_L1000_Similarity": -1.22704, "FDA_Category_X_Structural_Similarity": -0.162829, "FDA_Category_X_Weighted_Contribution": -0.775059, "FDA_Category_X_Top_Rank": -0.0837189, "FDA_Category_D_and_X_L1000_Similarity": -1.22978, "FDA_Category_D_and_X_Structural_Similarity": -0.667094, "FDA_Category_D_and_X_Weighted_Contribution": -1.09931, "FDA_Category_D_and_X_Top_Rank": -0.0952501, "Placenta_Crossing_L1000_Similarity": -2.02089, "Placenta_Crossing_Structural_Similarity": -0.632735, "Placenta_Crossing_Weighted_Contribution": -1.25871, "Placenta_Crossing_Top_Rank": -0.0907856, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC2=CC=CC=C2C3C1CC4=CNC5=CC=CC3=C45", "InChI_key": "WRNKIDLXXXIELU-IEBWSBKVSA-N" } }, "CID:5833": { "type": "Drug", "properties": { "id": "CID:5833", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5833", "label": "spironolactone", "FDA_Category_D_L1000_Similarity": -0.456171, "FDA_Category_D_Structural_Similarity": 1.17666, "FDA_Category_D_Weighted_Contribution": 0.803039, "FDA_Category_D_Top_Rank": -0.0415843, "FDA_Category_X_L1000_Similarity": -1.57607, "FDA_Category_X_Structural_Similarity": 4.14853, "FDA_Category_X_Weighted_Contribution": 3.32157, "FDA_Category_X_Top_Rank": 0.644393, "FDA_Category_D_and_X_L1000_Similarity": -0.871853, "FDA_Category_D_and_X_Structural_Similarity": 3.17246, "FDA_Category_D_and_X_Weighted_Contribution": 2.56542, "FDA_Category_D_and_X_Top_Rank": 0.262679, "Placenta_Crossing_L1000_Similarity": -0.678313, "Placenta_Crossing_Structural_Similarity": -0.0832479, "Placenta_Crossing_Weighted_Contribution": -0.495161, "Placenta_Crossing_Top_Rank": -0.0839135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C", "InChI_key": "LXMSZDCAJNLERA-ZHYRCANASA-N" } }, "CID:58423153": { "type": "Drug", "properties": { "id": "CID:58423153", "label": "AZD-1208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/58423153", "FDA_Category_D_L1000_Similarity": -0.321257, "FDA_Category_D_Structural_Similarity": -0.680123, "FDA_Category_D_Weighted_Contribution": -0.807025, "FDA_Category_D_Top_Rank": -0.0943499, "FDA_Category_X_L1000_Similarity": 0.665296, "FDA_Category_X_Structural_Similarity": 1.08753, "FDA_Category_X_Weighted_Contribution": 1.41021, "FDA_Category_X_Top_Rank": -0.0363795, "FDA_Category_D_and_X_L1000_Similarity": -0.0748913, "FDA_Category_D_and_X_Structural_Similarity": 0.0470042, "FDA_Category_D_and_X_Weighted_Contribution": -0.128806, "FDA_Category_D_and_X_Top_Rank": -0.0853759, "Placenta_Crossing_L1000_Similarity": -0.0661813, "Placenta_Crossing_Structural_Similarity": 0.369115, "Placenta_Crossing_Weighted_Contribution": 0.180149, "Placenta_Crossing_Top_Rank": -0.0732808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5850": { "type": "Drug", "properties": { "id": "CID:5850", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5850", "label": "pentolinium", "FDA_Category_D_L1000_Similarity": 0.0906681, "FDA_Category_D_Structural_Similarity": -0.791955, "FDA_Category_D_Weighted_Contribution": -0.716858, "FDA_Category_D_Top_Rank": -0.0914029, "FDA_Category_X_L1000_Similarity": -0.339519, "FDA_Category_X_Structural_Similarity": -0.280255, "FDA_Category_X_Weighted_Contribution": -0.521487, "FDA_Category_X_Top_Rank": -0.0861263, "FDA_Category_D_and_X_L1000_Similarity": -0.0249426, "FDA_Category_D_and_X_Structural_Similarity": -0.77981, "FDA_Category_D_and_X_Weighted_Contribution": -0.758737, "FDA_Category_D_and_X_Top_Rank": -0.0924041, "Placenta_Crossing_L1000_Similarity": 0.521231, "Placenta_Crossing_Structural_Similarity": -0.201871, "Placenta_Crossing_Weighted_Contribution": -0.0778362, "Placenta_Crossing_Top_Rank": -0.0825533, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C", "InChI_key": "XSBSKEQEUFOSDD-UHFFFAOYSA-N" } }, "CID:5853": { "type": "Drug", "properties": { "id": "CID:5853", "label": "metrifonate", "lsm": "LSM-4995", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5853", "FDA_Category_D_L1000_Similarity": 0.797773, "FDA_Category_D_Structural_Similarity": -0.74245, "FDA_Category_D_Weighted_Contribution": -0.355484, "FDA_Category_D_Top_Rank": -0.0760577, "FDA_Category_X_L1000_Similarity": 0.744856, "FDA_Category_X_Structural_Similarity": -0.737841, "FDA_Category_X_Weighted_Contribution": -0.450401, "FDA_Category_X_Top_Rank": -0.0781615, "FDA_Category_D_and_X_L1000_Similarity": 0.913888, "FDA_Category_D_and_X_Structural_Similarity": -0.987428, "FDA_Category_D_and_X_Weighted_Contribution": -0.527957, "FDA_Category_D_and_X_Top_Rank": -0.0734154, "Placenta_Crossing_L1000_Similarity": 0.188636, "Placenta_Crossing_Structural_Similarity": -0.430966, "Placenta_Crossing_Weighted_Contribution": -0.421533, "Placenta_Crossing_Top_Rank": -0.0866988, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COP(=O)(C(C(Cl)(Cl)Cl)O)OC", "InChI_key": "NFACJZMKEDPNKN-UHFFFAOYSA-N" } }, "CID:5878": { "type": "Drug", "properties": { "id": "CID:5878", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5878", "label": "oxandrolone", "FDA_Category_D_L1000_Similarity": -0.0790943, "FDA_Category_D_Structural_Similarity": 1.93959, "FDA_Category_D_Weighted_Contribution": 1.8695, "FDA_Category_D_Top_Rank": 0.0393588, "FDA_Category_X_L1000_Similarity": -0.696296, "FDA_Category_X_Structural_Similarity": 1.49394, "FDA_Category_X_Weighted_Contribution": 1.09662, "FDA_Category_X_Top_Rank": -0.00926749, "FDA_Category_D_and_X_L1000_Similarity": -0.279632, "FDA_Category_D_and_X_Structural_Similarity": 2.34561, "FDA_Category_D_and_X_Weighted_Contribution": 2.10351, "FDA_Category_D_and_X_Top_Rank": 0.0827768, "Placenta_Crossing_L1000_Similarity": 0.604668, "Placenta_Crossing_Structural_Similarity": 0.62978, "Placenta_Crossing_Weighted_Contribution": 0.796361, "Placenta_Crossing_Top_Rank": -0.0654095, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2(C)O)CCC4C3(COC(=O)C4)C", "InChI_key": "QSLJIVKCVHQPLV-PEMPUTJUSA-N" } }, "CID:5908088": { "type": "Drug", "properties": { "id": "CID:5908088", "label": "oxindole-i", "lsm": "LSM-3149", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5908088", "FDA_Category_D_L1000_Similarity": -0.132345, "FDA_Category_D_Structural_Similarity": 0.0565786, "FDA_Category_D_Weighted_Contribution": -0.132486, "FDA_Category_D_Top_Rank": -0.083797, "FDA_Category_X_L1000_Similarity": 0.0996625, "FDA_Category_X_Structural_Similarity": -0.255578, "FDA_Category_X_Weighted_Contribution": -0.311614, "FDA_Category_X_Top_Rank": -0.0856112, "FDA_Category_D_and_X_L1000_Similarity": -0.0838205, "FDA_Category_D_and_X_Structural_Similarity": -0.0930017, "FDA_Category_D_and_X_Weighted_Contribution": -0.255636, "FDA_Category_D_and_X_Top_Rank": -0.0881563, "Placenta_Crossing_L1000_Similarity": -0.57345, "Placenta_Crossing_Structural_Similarity": -1.00477, "Placenta_Crossing_Weighted_Contribution": -1.07523, "Placenta_Crossing_Top_Rank": -0.0909979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CC3=CC=CN3)C(=O)N2", "InChI_key": "SEZFNTZQMWJIAI-FLIBITNWSA-N" } }, "CID:5917": { "type": "Drug", "properties": { "id": "CID:5917", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5917", "label": "pentetrazol", "ref": "LSM-3287", "FDA_Category_D_L1000_Similarity": 0.57233, "FDA_Category_D_Structural_Similarity": 0.942607, "FDA_Category_D_Weighted_Contribution": 1.20391, "FDA_Category_D_Top_Rank": -0.0532414, "FDA_Category_X_L1000_Similarity": 1.69342, "FDA_Category_X_Structural_Similarity": -0.571218, "FDA_Category_X_Weighted_Contribution": 0.149193, "FDA_Category_X_Top_Rank": -0.0311402, "FDA_Category_D_and_X_L1000_Similarity": 1.00762, "FDA_Category_D_and_X_Structural_Similarity": 0.439932, "FDA_Category_D_and_X_Weighted_Contribution": 0.86176, "FDA_Category_D_and_X_Top_Rank": -0.0686814, "Placenta_Crossing_L1000_Similarity": 1.61838, "Placenta_Crossing_Structural_Similarity": -0.258004, "Placenta_Crossing_Weighted_Contribution": 0.406787, "Placenta_Crossing_Top_Rank": -0.0267967, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2=NN=NN2CC1", "InChI_key": "CWRVKFFCRWGWCS-UHFFFAOYSA-N" } }, "CID:5920": { "type": "Drug", "properties": { "id": "CID:5920", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5920", "label": "liothyronine", "ref": "LSM-3991", "FDA_Category_D_L1000_Similarity": 0.582406, "FDA_Category_X_L1000_Similarity": -1.02805, "FDA_Category_D_and_X_L1000_Similarity": 0.189842, "Placenta_Crossing_L1000_Similarity": -0.293196, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O", "InChI_key": "AUYYCJSJGJYCDS-LBPRGKRZSA-N" } }, "CID:5926218": { "type": "Drug", "properties": { "id": "CID:5926218", "label": "rg-14620", "lsm": "LSM-2486", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5926218", "FDA_Category_D_L1000_Similarity": 0.413211, "FDA_Category_D_Structural_Similarity": 0.00217777, "FDA_Category_D_Weighted_Contribution": 0.116935, "FDA_Category_D_Top_Rank": -0.0851642, "FDA_Category_X_L1000_Similarity": -0.233264, "FDA_Category_X_Structural_Similarity": -0.593088, "FDA_Category_X_Weighted_Contribution": -0.725567, "FDA_Category_X_Top_Rank": -0.0889712, "FDA_Category_D_and_X_L1000_Similarity": 0.285354, "FDA_Category_D_and_X_Structural_Similarity": -0.318299, "FDA_Category_D_and_X_Weighted_Contribution": -0.271309, "FDA_Category_D_and_X_Top_Rank": -0.0891672, "Placenta_Crossing_L1000_Similarity": 0.683436, "Placenta_Crossing_Structural_Similarity": -0.540388, "Placenta_Crossing_Weighted_Contribution": -0.303887, "Placenta_Crossing_Top_Rank": -0.0792934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CN=C1)C(=CC2=CC(=CC(=C2)Cl)Cl)C#N", "InChI_key": "TYXIVBJQPBWBHO-UUILKARUSA-N" } }, "CID:5944": { "type": "Drug", "properties": { "id": "CID:5944", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5944", "label": "cantharidin", "FDA_Category_D_L1000_Similarity": 0.941092, "FDA_Category_D_Structural_Similarity": -0.965153, "FDA_Category_D_Weighted_Contribution": -0.469899, "FDA_Category_D_Top_Rank": -0.0691531, "FDA_Category_X_L1000_Similarity": 1.48625, "FDA_Category_X_Structural_Similarity": -0.455817, "FDA_Category_X_Weighted_Contribution": 0.161119, "FDA_Category_X_Top_Rank": -0.0479226, "FDA_Category_D_and_X_L1000_Similarity": 1.26258, "FDA_Category_D_and_X_Structural_Similarity": -1.01201, "FDA_Category_D_and_X_Weighted_Contribution": -0.392825, "FDA_Category_D_and_X_Top_Rank": -0.0505103, "Placenta_Crossing_L1000_Similarity": 0.748998, "Placenta_Crossing_Structural_Similarity": -0.945416, "Placenta_Crossing_Weighted_Contribution": -0.60122, "Placenta_Crossing_Top_Rank": -0.0776826, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12C3CCC(C1(C(=O)OC2=O)C)O3", "InChI_key": "DHZBEENLJMYSHQ-XCVPVQRUSA-N" } }, "CID:59472121": { "type": "Drug", "properties": { "id": "CID:59472121", "label": "berzosertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59472121", "FDA_Category_D_L1000_Similarity": 0.277735, "FDA_Category_D_Structural_Similarity": -0.33186, "FDA_Category_D_Weighted_Contribution": -0.264548, "FDA_Category_D_Top_Rank": -0.0891599, "FDA_Category_X_L1000_Similarity": 0.374587, "FDA_Category_X_Structural_Similarity": 1.57314, "FDA_Category_X_Weighted_Contribution": 1.79488, "FDA_Category_X_Top_Rank": -0.00420366, "FDA_Category_D_and_X_L1000_Similarity": 0.353169, "FDA_Category_D_and_X_Structural_Similarity": 0.585457, "FDA_Category_D_and_X_Weighted_Contribution": 0.629211, "FDA_Category_D_and_X_Top_Rank": -0.0713727, "Placenta_Crossing_L1000_Similarity": 0.134445, "Placenta_Crossing_Structural_Similarity": 0.742578, "Placenta_Crossing_Weighted_Contribution": 0.663272, "Placenta_Crossing_Top_Rank": -0.0616406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N", "InChI_key": "JZCWLJDSIRUGIN-UHFFFAOYSA-N" } }, "CID:5952": { "type": "Drug", "properties": { "id": "CID:5952", "label": "desoxycorticosterone acetate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5952", "FDA_Category_D_L1000_Similarity": 0.491938, "FDA_Category_X_L1000_Similarity": -0.105269, "FDA_Category_D_and_X_L1000_Similarity": 0.392094, "Placenta_Crossing_L1000_Similarity": 0.461876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C", "InChI_key": "VPGRYOFKCNULNK-ACXQXYJUSA-N" } }, "CID:5966": { "type": "Drug", "properties": { "id": "CID:5966", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5966", "label": "demecarium", "FDA_Category_D_L1000_Similarity": -0.0451239, "FDA_Category_D_Structural_Similarity": -0.301767, "FDA_Category_D_Weighted_Contribution": -0.399719, "FDA_Category_D_Top_Rank": -0.0914244, "FDA_Category_X_L1000_Similarity": 0.812162, "FDA_Category_X_Structural_Similarity": -0.337876, "FDA_Category_X_Weighted_Contribution": -0.0565843, "FDA_Category_X_Top_Rank": -0.0766174, "FDA_Category_D_and_X_L1000_Similarity": 0.20774, "FDA_Category_D_and_X_Structural_Similarity": -0.421833, "FDA_Category_D_and_X_Weighted_Contribution": -0.393744, "FDA_Category_D_and_X_Top_Rank": -0.0901081, "Placenta_Crossing_L1000_Similarity": 0.134811, "Placenta_Crossing_Structural_Similarity": -0.542406, "Placenta_Crossing_Weighted_Contribution": -0.531581, "Placenta_Crossing_Top_Rank": -0.0872211, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C", "InChI_key": "RWZVPVOZTJJMNU-UHFFFAOYSA-N" } }, "CID:5994": { "type": "Drug", "properties": { "id": "CID:5994", "label": "progesterone", "lsm": "LSM-1728", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5994", "drugcentral_id": "2279", "IDG_ID": "2279", "FDA_Category_D_L1000_Similarity": 0.185309, "FDA_Category_D_Structural_Similarity": -0.547181, "FDA_Category_D_Weighted_Contribution": -0.489632, "FDA_Category_D_Top_Rank": -0.0903821, "FDA_Category_X_L1000_Similarity": 2.60561, "FDA_Category_X_Structural_Similarity": 2.94536, "FDA_Category_X_Weighted_Contribution": 3.87081, "FDA_Category_X_Top_Rank": 0.228496, "FDA_Category_D_and_X_L1000_Similarity": 0.95102, "FDA_Category_D_and_X_Structural_Similarity": 1.155, "FDA_Category_D_and_X_Weighted_Contribution": 1.59067, "FDA_Category_D_and_X_Top_Rank": -0.042154, "Placenta_Crossing_L1000_Similarity": 0.921796, "Placenta_Crossing_Structural_Similarity": 0.256567, "Placenta_Crossing_Weighted_Contribution": 0.572677, "Placenta_Crossing_Top_Rank": -0.0730529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C", "InChI_key": "RJKFOVLPORLFTN-LEKSSAKUSA-N" } }, "CID:600670": { "type": "Drug", "properties": { "id": "CID:600670", "label": "lomatin", "lsm": "LSM-1376", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/600670", "FDA_Category_D_L1000_Similarity": 1.18208, "FDA_Category_D_Structural_Similarity": 1.30023, "FDA_Category_D_Weighted_Contribution": 1.97322, "FDA_Category_D_Top_Rank": -0.0339465, "FDA_Category_X_L1000_Similarity": 0.206054, "FDA_Category_X_Structural_Similarity": 0.351573, "FDA_Category_X_Weighted_Contribution": 0.333857, "FDA_Category_X_Top_Rank": -0.0676526, "FDA_Category_D_and_X_L1000_Similarity": 1.08155, "FDA_Category_D_and_X_Structural_Similarity": 1.22171, "FDA_Category_D_and_X_Weighted_Contribution": 1.73726, "FDA_Category_D_and_X_Top_Rank": -0.0375718, "Placenta_Crossing_L1000_Similarity": 0.8856, "Placenta_Crossing_Structural_Similarity": 0.89934, "Placenta_Crossing_Weighted_Contribution": 1.23984, "Placenta_Crossing_Top_Rank": -0.0551804, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C", "InChI_key": "UJSHBYQGQRPVNO-UHFFFAOYSA-N" } }, "CID:6010": { "type": "Drug", "properties": { "id": "CID:6010", "label": "methyltestosterone", "lsm": "LSM-1594", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6010", "IDG_ID": "2607", "FDA_Category_D_L1000_Similarity": 0.77974, "FDA_Category_X_L1000_Similarity": 1.6588, "FDA_Category_D_and_X_L1000_Similarity": 1.1759, "Placenta_Crossing_L1000_Similarity": 1.03802, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C", "InChI_key": "GCKMFJBGXUYNAG-HLXURNFRSA-N" } }, "CID:60160561": { "type": "Drug", "properties": { "id": "CID:60160561", "label": "EPZ-005687", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60160561", "FDA_Category_D_L1000_Similarity": 0.221685, "FDA_Category_X_L1000_Similarity": 1.07943, "FDA_Category_D_and_X_L1000_Similarity": 0.51889, "Placenta_Crossing_L1000_Similarity": 0.372688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6018": { "type": "Drug", "properties": { "id": "CID:6018", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6018", "label": "tetrabenazine", "FDA_Category_D_L1000_Similarity": 1.1027, "FDA_Category_D_Structural_Similarity": 1.38833, "FDA_Category_D_Weighted_Contribution": 2.0163, "FDA_Category_D_Top_Rank": -0.0273748, "FDA_Category_X_L1000_Similarity": 1.39538, "FDA_Category_X_Structural_Similarity": 0.710525, "FDA_Category_X_Weighted_Contribution": 1.3969, "FDA_Category_X_Top_Rank": -0.0536143, "FDA_Category_D_and_X_L1000_Similarity": 1.37429, "FDA_Category_D_and_X_Structural_Similarity": 1.48533, "FDA_Category_D_and_X_Weighted_Contribution": 2.16896, "FDA_Category_D_and_X_Top_Rank": -0.0168293, "Placenta_Crossing_L1000_Similarity": 0.813626, "Placenta_Crossing_Structural_Similarity": -0.343208, "Placenta_Crossing_Weighted_Contribution": -0.0714355, "Placenta_Crossing_Top_Rank": -0.0759231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC", "InChI_key": "MKJIEFSOBYUXJB-UHFFFAOYSA-N" } }, "CID:6035": { "type": "Drug", "properties": { "id": "CID:6035", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6035", "label": "broxuridine", "FDA_Category_D_L1000_Similarity": -0.2425, "FDA_Category_D_Structural_Similarity": 3.73925, "FDA_Category_D_Weighted_Contribution": 3.34612, "FDA_Category_D_Top_Rank": 0.441168, "FDA_Category_X_L1000_Similarity": -0.303574, "FDA_Category_X_Structural_Similarity": 0.334166, "FDA_Category_X_Weighted_Contribution": 0.0548417, "FDA_Category_X_Top_Rank": -0.068332, "FDA_Category_D_and_X_L1000_Similarity": -0.301221, "FDA_Category_D_and_X_Structural_Similarity": 3.1482, "FDA_Category_D_and_X_Weighted_Contribution": 2.81329, "FDA_Category_D_and_X_Top_Rank": 0.254704, "Placenta_Crossing_L1000_Similarity": -0.693606, "Placenta_Crossing_Structural_Similarity": 0.390044, "Placenta_Crossing_Weighted_Contribution": -0.100046, "Placenta_Crossing_Top_Rank": -0.0728207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O", "InChI_key": "WOVKYSAHUYNSMH-RRKCRQDMSA-N" } }, "CID:604519": { "type": "Drug", "properties": { "id": "CID:604519", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID604519", "label": "ipidacrine", "FDA_Category_D_L1000_Similarity": 0.459519, "FDA_Category_D_Structural_Similarity": -0.676617, "FDA_Category_D_Weighted_Contribution": -0.46463, "FDA_Category_D_Top_Rank": -0.0860463, "FDA_Category_X_L1000_Similarity": -0.15866, "FDA_Category_X_Structural_Similarity": -0.599394, "FDA_Category_X_Weighted_Contribution": -0.702216, "FDA_Category_X_Top_Rank": -0.0885578, "FDA_Category_D_and_X_L1000_Similarity": 0.34793, "FDA_Category_D_and_X_Structural_Similarity": -0.860471, "FDA_Category_D_and_X_Weighted_Contribution": -0.669119, "FDA_Category_D_and_X_Top_Rank": -0.0882674, "Placenta_Crossing_L1000_Similarity": -0.0153932, "Placenta_Crossing_Structural_Similarity": -0.648844, "Placenta_Crossing_Weighted_Contribution": -0.668395, "Placenta_Crossing_Top_Rank": -0.0884666, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2=C(C1)C(=C3CCCC3=N2)N", "InChI_key": "YLUSMKAJIQOXPV-UHFFFAOYSA-N" } }, "CID:6070589": { "type": "Drug", "properties": { "id": "CID:6070589", "label": "bas-09104376", "lsm": "LSM-6620", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6070589", "FDA_Category_D_L1000_Similarity": -0.116807, "FDA_Category_X_L1000_Similarity": -0.174608, "FDA_Category_D_and_X_L1000_Similarity": -0.153714, "Placenta_Crossing_L1000_Similarity": 0.478408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)C)C#N", "InChI_key": "CNEGNCUOFPNSCH-XYOKQWHBSA-N" } }, "CID:60795": { "type": "Drug", "properties": { "id": "CID:60795", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60795", "label": "aripiprazole", "ref": "LSM-5776", "FDA_Category_D_L1000_Similarity": 0.124125, "FDA_Category_D_Structural_Similarity": -0.773766, "FDA_Category_D_Weighted_Contribution": -0.689646, "FDA_Category_D_Top_Rank": -0.0910309, "FDA_Category_X_L1000_Similarity": 0.776744, "FDA_Category_X_Structural_Similarity": 0.513407, "FDA_Category_X_Weighted_Contribution": 0.821514, "FDA_Category_X_Top_Rank": -0.0616152, "FDA_Category_D_and_X_L1000_Similarity": 0.342873, "FDA_Category_D_and_X_Structural_Similarity": -0.337116, "FDA_Category_D_and_X_Weighted_Contribution": -0.259851, "FDA_Category_D_and_X_Top_Rank": -0.0883505, "Placenta_Crossing_L1000_Similarity": 0.119709, "Placenta_Crossing_Structural_Similarity": -0.40488, "Placenta_Crossing_Weighted_Contribution": -0.428733, "Placenta_Crossing_Top_Rank": -0.0873627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl", "InChI_key": "CEUORZQYGODEFX-UHFFFAOYSA-N" } }, "CID:60857": { "type": "Drug", "properties": { "id": "CID:60857", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60857", "label": "zolmitriptan", "FDA_Category_D_L1000_Similarity": 1.43888, "FDA_Category_D_Structural_Similarity": 0.906128, "FDA_Category_D_Weighted_Contribution": 1.71593, "FDA_Category_D_Top_Rank": -0.0191789, "FDA_Category_X_L1000_Similarity": 2.03837, "FDA_Category_X_Structural_Similarity": 1.09991, "FDA_Category_X_Weighted_Contribution": 2.18755, "FDA_Category_X_Top_Rank": 0.0175865, "FDA_Category_D_and_X_L1000_Similarity": 1.85936, "FDA_Category_D_and_X_Structural_Similarity": 1.31271, "FDA_Category_D_and_X_Weighted_Contribution": 2.26454, "FDA_Category_D_and_X_Top_Rank": 0.0472667, "Placenta_Crossing_L1000_Similarity": 1.96761, "Placenta_Crossing_Structural_Similarity": 0.282449, "Placenta_Crossing_Weighted_Contribution": 1.16633, "Placenta_Crossing_Top_Rank": 0.0363698, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3", "InChI_key": "ULSDMUVEXKOYBU-ZDUSSCGKSA-N" } }, "CID:6103": { "type": "Drug", "properties": { "id": "CID:6103", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6103", "label": "zoxazolamine", "FDA_Category_D_L1000_Similarity": 0.838739, "FDA_Category_D_Structural_Similarity": -0.130312, "FDA_Category_D_Weighted_Contribution": 0.231712, "FDA_Category_D_Top_Rank": -0.0742174, "FDA_Category_X_L1000_Similarity": 1.17421, "FDA_Category_X_Structural_Similarity": -0.411901, "FDA_Category_X_Weighted_Contribution": 0.0483124, "FDA_Category_X_Top_Rank": -0.0654721, "FDA_Category_D_and_X_L1000_Similarity": 1.07959, "FDA_Category_D_and_X_Structural_Similarity": -0.32569, "FDA_Category_D_and_X_Weighted_Contribution": 0.124914, "FDA_Category_D_and_X_Top_Rank": -0.0643254, "Placenta_Crossing_L1000_Similarity": 0.795073, "Placenta_Crossing_Structural_Similarity": -0.233965, "Placenta_Crossing_Weighted_Contribution": 0.0211354, "Placenta_Crossing_Top_Rank": -0.0765186, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1Cl)N=C(O2)N", "InChI_key": "YGCODSQDUUUKIV-UHFFFAOYSA-N" } }, "CID:6124": { "type": "Drug", "properties": { "id": "CID:6124", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6124", "label": "Dimethylnitrosamine", "FDA_Category_D_L1000_Similarity": 1.13826, "FDA_Category_D_Structural_Similarity": -0.966202, "FDA_Category_D_Weighted_Contribution": -0.375953, "FDA_Category_D_Top_Rank": -0.0546728, "FDA_Category_X_L1000_Similarity": -0.590957, "FDA_Category_X_Structural_Similarity": -0.753181, "FDA_Category_X_Weighted_Contribution": -0.96256, "FDA_Category_X_Top_Rank": -0.0903307, "FDA_Category_D_and_X_L1000_Similarity": 0.801735, "FDA_Category_D_and_X_Structural_Similarity": -1.1733, "FDA_Category_D_and_X_Weighted_Contribution": -0.710481, "FDA_Category_D_and_X_Top_Rank": -0.0776928, "Placenta_Crossing_L1000_Similarity": 0.817028, "Placenta_Crossing_Structural_Similarity": -1.1335, "Placenta_Crossing_Weighted_Contribution": -0.713004, "Placenta_Crossing_Top_Rank": -0.0758487, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:612556": { "type": "Drug", "properties": { "id": "CID:612556", "label": "dihydroptaeroxylin", "lsm": "LSM-1900", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/612556", "FDA_Category_D_L1000_Similarity": -0.433554, "FDA_Category_D_Structural_Similarity": 1.64979, "FDA_Category_D_Weighted_Contribution": 1.33324, "FDA_Category_D_Top_Rank": -3.70826e-05, "FDA_Category_X_L1000_Similarity": -0.918405, "FDA_Category_X_Structural_Similarity": -0.545597, "FDA_Category_X_Weighted_Contribution": -0.933856, "FDA_Category_X_Top_Rank": -0.090422, "FDA_Category_D_and_X_L1000_Similarity": -0.652623, "FDA_Category_D_and_X_Structural_Similarity": 1.01506, "FDA_Category_D_and_X_Weighted_Contribution": 0.490906, "FDA_Category_D_and_X_Top_Rank": -0.0523201, "Placenta_Crossing_L1000_Similarity": 0.0113768, "Placenta_Crossing_Structural_Similarity": -0.759609, "Placenta_Crossing_Weighted_Contribution": -0.737441, "Placenta_Crossing_Top_Rank": -0.0882726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1", "InChI_key": "XSGWRNKNCNDJLK-UHFFFAOYSA-N" } }, "CID:6160690": { "type": "Drug", "properties": { "id": "CID:6160690", "label": "gr-46611", "lsm": "LSM-3523", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6160690", "FDA_Category_D_L1000_Similarity": 0.169574, "FDA_Category_D_Structural_Similarity": 1.36231, "FDA_Category_D_Weighted_Contribution": 1.40506, "FDA_Category_D_Top_Rank": -0.0301664, "FDA_Category_X_L1000_Similarity": 1.12131, "FDA_Category_X_Structural_Similarity": 0.250472, "FDA_Category_X_Weighted_Contribution": 0.720572, "FDA_Category_X_Top_Rank": -0.067327, "FDA_Category_D_and_X_L1000_Similarity": 0.486697, "FDA_Category_D_and_X_Structural_Similarity": 1.21644, "FDA_Category_D_and_X_Weighted_Contribution": 1.3795, "FDA_Category_D_and_X_Top_Rank": -0.0381636, "Placenta_Crossing_L1000_Similarity": 0.244529, "Placenta_Crossing_Structural_Similarity": -0.482421, "Placenta_Crossing_Weighted_Contribution": -0.440217, "Placenta_Crossing_Top_Rank": -0.0862583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC1=CNC2=C1C=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)OC", "InChI_key": "LBVZWEWTNUDWNS-YRNVUSSQSA-N" } }, "CID:6166": { "type": "Drug", "properties": { "id": "CID:6166", "label": "desoxycortone", "lsm": "LSM-4222", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6166", "IDG_ID": "820", "FDA_Category_D_L1000_Similarity": -0.165265, "FDA_Category_D_Structural_Similarity": -0.145875, "FDA_Category_D_Weighted_Contribution": -0.327823, "FDA_Category_D_Top_Rank": -0.0884677, "FDA_Category_X_L1000_Similarity": -0.555325, "FDA_Category_X_Structural_Similarity": 3.65431, "FDA_Category_X_Weighted_Contribution": 3.33384, "FDA_Category_X_Top_Rank": 0.423114, "FDA_Category_D_and_X_L1000_Similarity": -0.311106, "FDA_Category_D_and_X_Structural_Similarity": 1.85607, "FDA_Category_D_and_X_Weighted_Contribution": 1.58388, "FDA_Category_D_and_X_Top_Rank": 0.0201722, "Placenta_Crossing_L1000_Similarity": 0.501163, "Placenta_Crossing_Structural_Similarity": 0.321069, "Placenta_Crossing_Weighted_Contribution": 0.419306, "Placenta_Crossing_Top_Rank": -0.0745143, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C", "InChI_key": "ZESRJSPZRDMNHY-YFWFAHHUSA-N" } }, "CID:62034": { "type": "Drug", "properties": { "id": "CID:62034", "label": "lylamine", "lsm": "LSM-3383", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/62034", "FDA_Category_D_L1000_Similarity": -3.08102, "FDA_Category_D_Structural_Similarity": -0.690427, "FDA_Category_D_Weighted_Contribution": -1.5799, "FDA_Category_D_Top_Rank": -0.0957715, "FDA_Category_X_L1000_Similarity": 0.0346257, "FDA_Category_X_Structural_Similarity": -0.619349, "FDA_Category_X_Weighted_Contribution": -0.643233, "FDA_Category_X_Top_Rank": -0.0873644, "FDA_Category_D_and_X_L1000_Similarity": -2.64538, "FDA_Category_D_and_X_Structural_Similarity": -0.882199, "FDA_Category_D_and_X_Weighted_Contribution": -1.52022, "FDA_Category_D_and_X_Top_Rank": -0.096318, "Placenta_Crossing_L1000_Similarity": -3.33373, "Placenta_Crossing_Structural_Similarity": -0.651225, "Placenta_Crossing_Weighted_Contribution": -1.52512, "Placenta_Crossing_Top_Rank": -0.0909227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C", "InChI_key": "JVVXZOOGOGPDRZ-SLFFLAALSA-N" } }, "CID:6212": { "type": "Drug", "properties": { "id": "CID:6212", "label": "chloroform", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6212", "FDA_Category_D_L1000_Similarity": 0.775442, "FDA_Category_D_Structural_Similarity": -0.96943, "FDA_Category_D_Weighted_Contribution": -0.55006, "FDA_Category_D_Top_Rank": -0.0769227, "FDA_Category_X_L1000_Similarity": -0.117124, "FDA_Category_X_Structural_Similarity": -0.748753, "FDA_Category_X_Weighted_Contribution": -0.797155, "FDA_Category_X_Top_Rank": -0.0883339, "FDA_Category_D_and_X_L1000_Similarity": 0.632869, "FDA_Category_D_and_X_Structural_Similarity": -1.17347, "FDA_Category_D_and_X_Weighted_Contribution": -0.775611, "FDA_Category_D_and_X_Top_Rank": -0.0827754, "Placenta_Crossing_L1000_Similarity": 1.00098, "Placenta_Crossing_Structural_Similarity": 1.03601, "Placenta_Crossing_Weighted_Contribution": 1.45046, "Placenta_Crossing_Top_Rank": -0.0482819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(Cl)(Cl)Cl", "InChI_key": "HEDRZPFGACZZDS-UHFFFAOYSA-N" } }, "CID:622606": { "type": "Drug", "properties": { "id": "CID:622606", "label": "desmethylclomipramine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/622606", "FDA_Category_D_L1000_Similarity": -1.19144, "FDA_Category_D_Structural_Similarity": -0.851572, "FDA_Category_D_Weighted_Contribution": -1.20679, "FDA_Category_D_Top_Rank": -0.0965228, "FDA_Category_X_L1000_Similarity": -0.481143, "FDA_Category_X_Structural_Similarity": -0.410787, "FDA_Category_X_Weighted_Contribution": -0.681488, "FDA_Category_X_Top_Rank": -0.0883968, "FDA_Category_D_and_X_L1000_Similarity": -1.17315, "FDA_Category_D_and_X_Structural_Similarity": -0.897563, "FDA_Category_D_and_X_Weighted_Contribution": -1.20016, "FDA_Category_D_and_X_Top_Rank": -0.0963673, "Placenta_Crossing_L1000_Similarity": -1.53192, "Placenta_Crossing_Structural_Similarity": 2.76751, "Placenta_Crossing_Weighted_Contribution": 1.92182, "Placenta_Crossing_Top_Rank": 0.144489, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:62887": { "type": "Drug", "properties": { "id": "CID:62887", "label": "cisatracurium", "lsm": "LSM-5147", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/62887", "IDG_ID": "259", "FDA_Category_D_L1000_Similarity": 0.580251, "FDA_Category_D_Structural_Similarity": -0.780629, "FDA_Category_D_Weighted_Contribution": -0.491369, "FDA_Category_D_Top_Rank": -0.0831651, "FDA_Category_X_L1000_Similarity": 2.7577, "FDA_Category_X_Structural_Similarity": -0.390814, "FDA_Category_X_Weighted_Contribution": 0.919394, "FDA_Category_X_Top_Rank": 0.328746, "FDA_Category_D_and_X_L1000_Similarity": 1.33764, "FDA_Category_D_and_X_Structural_Similarity": -0.830477, "FDA_Category_D_and_X_Weighted_Contribution": -0.204361, "FDA_Category_D_and_X_Top_Rank": -0.0435422, "Placenta_Crossing_L1000_Similarity": 1.23841, "Placenta_Crossing_Structural_Similarity": 0.317201, "Placenta_Crossing_Weighted_Contribution": 0.805865, "Placenta_Crossing_Top_Rank": -0.0597318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C", "InChI_key": "YXSLJKQTIDHPOT-LJCJQEJUSA-N" } }, "CID:6293": { "type": "Drug", "properties": { "id": "CID:6293", "label": "alizarin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6293", "FDA_Category_D_L1000_Similarity": 0.922856, "FDA_Category_D_Structural_Similarity": 3.41253, "FDA_Category_D_Weighted_Contribution": 3.55729, "FDA_Category_D_Top_Rank": 0.335217, "FDA_Category_X_L1000_Similarity": 1.67981, "FDA_Category_X_Structural_Similarity": -0.0632715, "FDA_Category_X_Weighted_Contribution": 0.682609, "FDA_Category_X_Top_Rank": -0.0323536, "FDA_Category_D_and_X_L1000_Similarity": 1.30564, "FDA_Category_D_and_X_Structural_Similarity": 2.67443, "FDA_Category_D_and_X_Weighted_Contribution": 3.12999, "FDA_Category_D_and_X_Top_Rank": 0.128482, "Placenta_Crossing_L1000_Similarity": 1.26674, "Placenta_Crossing_Structural_Similarity": -0.433189, "Placenta_Crossing_Weighted_Contribution": 0.0589176, "Placenta_Crossing_Top_Rank": -0.0579775, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:629852": { "type": "Drug", "properties": { "id": "CID:629852", "label": "bml-257", "lsm": "LSM-2706", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/629852", "FDA_Category_D_L1000_Similarity": 1.00867, "FDA_Category_D_Structural_Similarity": 0.454611, "FDA_Category_D_Weighted_Contribution": 0.949984, "FDA_Category_D_Top_Rank": -0.0649001, "FDA_Category_X_L1000_Similarity": 0.256522, "FDA_Category_X_Structural_Similarity": 0.662974, "FDA_Category_X_Weighted_Contribution": 0.698131, "FDA_Category_X_Top_Rank": -0.0552904, "FDA_Category_D_and_X_L1000_Similarity": 0.947385, "FDA_Category_D_and_X_Structural_Similarity": 0.718569, "FDA_Category_D_and_X_Weighted_Contribution": 1.12299, "FDA_Category_D_and_X_Top_Rank": -0.0667483, "Placenta_Crossing_L1000_Similarity": 1.66301, "Placenta_Crossing_Structural_Similarity": 0.739382, "Placenta_Crossing_Weighted_Contribution": 1.49259, "Placenta_Crossing_Top_Rank": -0.0198511, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4", "InChI_key": "LFWGZXMTCUOPFI-UHFFFAOYSA-N" } }, "CID:6305": { "type": "Drug", "properties": { "id": "CID:6305", "label": "tryptophan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6305", "FDA_Category_D_L1000_Similarity": -0.420494, "FDA_Category_D_Structural_Similarity": 0.719793, "FDA_Category_D_Weighted_Contribution": 0.345157, "FDA_Category_D_Top_Rank": -0.0634195, "FDA_Category_X_L1000_Similarity": 1.89204, "FDA_Category_X_Structural_Similarity": 0.338193, "FDA_Category_X_Weighted_Contribution": 1.25561, "FDA_Category_X_Top_Rank": -0.00703527, "FDA_Category_D_and_X_L1000_Similarity": 0.212102, "FDA_Category_D_and_X_Structural_Similarity": 0.753796, "FDA_Category_D_and_X_Weighted_Contribution": 0.722418, "FDA_Category_D_and_X_Top_Rank": -0.0653175, "Placenta_Crossing_L1000_Similarity": -0.115776, "Placenta_Crossing_Structural_Similarity": 0.00588861, "Placenta_Crossing_Weighted_Contribution": -0.181682, "Placenta_Crossing_Top_Rank": -0.0822202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N", "InChI_key": "QIVBCDIJIAJPQS-VIFPVBQESA-N" } }, "CID:632854": { "type": "Drug", "properties": { "id": "CID:632854", "label": "st-012030", "lsm": "LSM-4502", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/632854", "FDA_Category_D_L1000_Similarity": 0.0190802, "FDA_Category_D_Structural_Similarity": 0.754329, "FDA_Category_D_Weighted_Contribution": 0.64897, "FDA_Category_D_Top_Rank": -0.062144, "FDA_Category_X_L1000_Similarity": -1.45444, "FDA_Category_X_Structural_Similarity": 0.76353, "FDA_Category_X_Weighted_Contribution": -0.0881399, "FDA_Category_X_Top_Rank": -0.0513245, "FDA_Category_D_and_X_L1000_Similarity": -0.425247, "FDA_Category_D_and_X_Structural_Similarity": 1.01072, "FDA_Category_D_and_X_Weighted_Contribution": 0.617692, "FDA_Category_D_and_X_Top_Rank": -0.0526319, "Placenta_Crossing_L1000_Similarity": -0.307858, "Placenta_Crossing_Structural_Similarity": 1.33712, "Placenta_Crossing_Weighted_Contribution": 1.05862, "Placenta_Crossing_Top_Rank": -0.0307259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5O)OC)C(=O)C", "InChI_key": "CITPXCNSMZMNIW-UHFFFAOYSA-N" } }, "CID:637542": { "type": "Drug", "properties": { "id": "CID:637542", "label": "para-coumaric acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/637542", "FDA_Category_D_L1000_Similarity": -0.326163, "FDA_Category_D_Structural_Similarity": -0.668289, "FDA_Category_D_Weighted_Contribution": -0.800931, "FDA_Category_D_Top_Rank": -0.0943753, "FDA_Category_X_L1000_Similarity": -1.25378, "FDA_Category_X_Structural_Similarity": -0.554816, "FDA_Category_X_Weighted_Contribution": -1.04674, "FDA_Category_X_Top_Rank": -0.0905509, "FDA_Category_D_and_X_L1000_Similarity": -0.661904, "FDA_Category_D_and_X_Structural_Similarity": -0.829807, "FDA_Category_D_and_X_Weighted_Contribution": -1.01344, "FDA_Category_D_and_X_Top_Rank": -0.0955648, "Placenta_Crossing_L1000_Similarity": -0.452378, "Placenta_Crossing_Structural_Similarity": -0.768959, "Placenta_Crossing_Weighted_Contribution": -0.899726, "Placenta_Crossing_Top_Rank": -0.0906368, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C=CC(=O)O)O", "InChI_key": "NGSWKAQJJWESNS-ZZXKWVIFSA-N" } }, "CID:638024": { "type": "Drug", "properties": { "id": "CID:638024", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID638024", "label": "piperine", "FDA_Category_D_L1000_Similarity": 0.288981, "FDA_Category_D_Structural_Similarity": -0.788791, "FDA_Category_D_Weighted_Contribution": -0.629575, "FDA_Category_D_Top_Rank": -0.0890018, "FDA_Category_X_L1000_Similarity": 0.0962404, "FDA_Category_X_Structural_Similarity": -0.695052, "FDA_Category_X_Weighted_Contribution": -0.677919, "FDA_Category_X_Top_Rank": -0.0868926, "FDA_Category_D_and_X_L1000_Similarity": 0.278329, "FDA_Category_D_and_X_Structural_Similarity": -1.00112, "FDA_Category_D_and_X_Weighted_Contribution": -0.793299, "FDA_Category_D_and_X_Top_Rank": -0.0892538, "Placenta_Crossing_L1000_Similarity": 0.792015, "Placenta_Crossing_Structural_Similarity": -1.00345, "Placenta_Crossing_Weighted_Contribution": -0.628163, "Placenta_Crossing_Top_Rank": -0.0765974, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3", "InChI_key": "MXXWOMGUGJBKIW-YPCIICBESA-N" } }, "CID:638034": { "type": "Drug", "properties": { "id": "CID:638034", "label": "retinyl", "lsm": "LSM-5736", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/638034", "FDA_Category_D_L1000_Similarity": 0.094178, "FDA_Category_D_Structural_Similarity": -0.599413, "FDA_Category_D_Weighted_Contribution": -0.572428, "FDA_Category_D_Top_Rank": -0.0913765, "FDA_Category_X_L1000_Similarity": 0.87247, "FDA_Category_X_Structural_Similarity": 3.23642, "FDA_Category_X_Weighted_Contribution": 3.54009, "FDA_Category_X_Top_Rank": 0.270691, "FDA_Category_D_and_X_L1000_Similarity": 0.346136, "FDA_Category_D_and_X_Structural_Similarity": 1.2706, "FDA_Category_D_and_X_Weighted_Contribution": 1.35319, "FDA_Category_D_and_X_Top_Rank": -0.0342786, "Placenta_Crossing_L1000_Similarity": 0.410808, "Placenta_Crossing_Structural_Similarity": 0.990022, "Placenta_Crossing_Weighted_Contribution": 1.0775, "Placenta_Crossing_Top_Rank": -0.0504923, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C", "InChI_key": "QGNJRVVDBSJHIZ-QHLGVNSISA-N" } }, "CID:641266": { "type": "Drug", "properties": { "id": "CID:641266", "label": "anabasine", "lsm": "LSM-2805", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/641266", "FDA_Category_D_L1000_Similarity": 0.999244, "FDA_Category_D_Structural_Similarity": -0.844061, "FDA_Category_D_Weighted_Contribution": -0.341647, "FDA_Category_D_Top_Rank": -0.0654025, "FDA_Category_X_L1000_Similarity": 0.72397, "FDA_Category_X_Structural_Similarity": 0.042909, "FDA_Category_X_Weighted_Contribution": 0.281989, "FDA_Category_X_Top_Rank": -0.0786449, "FDA_Category_D_and_X_L1000_Similarity": 1.08121, "FDA_Category_D_and_X_Structural_Similarity": -0.646789, "FDA_Category_D_and_X_Weighted_Contribution": -0.169356, "FDA_Category_D_and_X_Top_Rank": -0.0641286, "Placenta_Crossing_L1000_Similarity": 0.986982, "Placenta_Crossing_Structural_Similarity": -0.695529, "Placenta_Crossing_Weighted_Contribution": -0.304862, "Placenta_Crossing_Top_Rank": -0.0709094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCNC(C1)C2=CN=CC=C2", "InChI_key": "MTXSIJUGVMTTMU-SNVBAGLBSA-N" } }, "CID:6419747": { "type": "Drug", "properties": { "id": "CID:6419747", "label": "syk-inhibitor", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6419747", "FDA_Category_D_L1000_Similarity": -0.316374, "FDA_Category_D_Structural_Similarity": 1.84828, "FDA_Category_D_Weighted_Contribution": 1.62381, "FDA_Category_D_Top_Rank": 0.0250462, "FDA_Category_X_L1000_Similarity": -2.01229, "FDA_Category_X_Structural_Similarity": 0.818234, "FDA_Category_X_Weighted_Contribution": -0.296413, "FDA_Category_X_Top_Rank": -0.0492275, "FDA_Category_D_and_X_L1000_Similarity": -0.883813, "FDA_Category_D_and_X_Structural_Similarity": 1.90852, "FDA_Category_D_and_X_Weighted_Contribution": 1.29806, "FDA_Category_D_and_X_Top_Rank": 0.0251229, "Placenta_Crossing_L1000_Similarity": -0.892709, "Placenta_Crossing_Structural_Similarity": -0.0662624, "Placenta_Crossing_Weighted_Contribution": -0.566239, "Placenta_Crossing_Top_Rank": -0.0835638, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O", "InChI_key": "MLKHXLFEYOOYEY-NVNXTCNLSA-N" } }, "CID:6419753": { "type": "Drug", "properties": { "id": "CID:6419753", "label": "d-4476", "lsm": "LSM-1203", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6419753", "FDA_Category_D_L1000_Similarity": 1.01433, "FDA_Category_D_Structural_Similarity": -0.569104, "FDA_Category_D_Weighted_Contribution": -0.0905905, "FDA_Category_D_Top_Rank": -0.0645404, "FDA_Category_X_L1000_Similarity": 1.42415, "FDA_Category_X_Structural_Similarity": -0.472532, "FDA_Category_X_Weighted_Contribution": 0.112731, "FDA_Category_X_Top_Rank": -0.0514845, "FDA_Category_D_and_X_L1000_Similarity": 1.30686, "FDA_Category_D_and_X_Structural_Similarity": -0.706682, "FDA_Category_D_and_X_Weighted_Contribution": -0.110122, "FDA_Category_D_and_X_Top_Rank": -0.0463616, "Placenta_Crossing_L1000_Similarity": 1.43227, "Placenta_Crossing_Structural_Similarity": -0.0196115, "Placenta_Crossing_Weighted_Contribution": 0.554785, "Placenta_Crossing_Top_Rank": -0.0457043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5", "InChI_key": "DPDZHVCKYBCJHW-UHFFFAOYSA-N" } }, "CID:6419833": { "type": "Drug", "properties": { "id": "CID:6419833", "label": "angiogenesis-inhibitor", "lsm": "LSM-2166", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6419833", "FDA_Category_D_L1000_Similarity": -0.586131, "FDA_Category_D_Structural_Similarity": 1.0129, "FDA_Category_D_Weighted_Contribution": 0.547835, "FDA_Category_D_Top_Rank": -0.0500107, "FDA_Category_X_L1000_Similarity": -2.22973, "FDA_Category_X_Structural_Similarity": 0.639439, "FDA_Category_X_Weighted_Contribution": -0.542951, "FDA_Category_X_Top_Rank": -0.0561787, "FDA_Category_D_and_X_L1000_Similarity": -1.18238, "FDA_Category_D_and_X_Structural_Similarity": 1.14899, "FDA_Category_D_and_X_Weighted_Contribution": 0.326507, "FDA_Category_D_and_X_Top_Rank": -0.0427297, "Placenta_Crossing_L1000_Similarity": -1.20607, "Placenta_Crossing_Structural_Similarity": -0.714466, "Placenta_Crossing_Weighted_Contribution": -1.09201, "Placenta_Crossing_Top_Rank": -0.0913257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CC3=CN=CN3)C(=O)N2", "InChI_key": "VEEGZPWAAPPXRB-BJMVGYQFSA-N" } }, "CID:6421522": { "type": "Drug", "properties": { "id": "CID:6421522", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6421522", "label": "proxyfan", "FDA_Category_D_L1000_Similarity": 0.14602, "FDA_Category_D_Structural_Similarity": 0.144693, "FDA_Category_D_Weighted_Contribution": 0.10341, "FDA_Category_D_Top_Rank": -0.0813389, "FDA_Category_X_L1000_Similarity": 1.38377, "FDA_Category_X_Structural_Similarity": -0.430002, "FDA_Category_X_Weighted_Contribution": 0.135269, "FDA_Category_X_Top_Rank": -0.0541875, "FDA_Category_D_and_X_L1000_Similarity": 0.546097, "FDA_Category_D_and_X_Structural_Similarity": -0.117182, "FDA_Category_D_and_X_Weighted_Contribution": 0.0393329, "FDA_Category_D_and_X_Top_Rank": -0.0847744, "Placenta_Crossing_L1000_Similarity": 1.30674, "Placenta_Crossing_Structural_Similarity": -0.410807, "Placenta_Crossing_Weighted_Contribution": 0.0995657, "Placenta_Crossing_Top_Rank": -0.0550078, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)COCCCC2=CN=CN2", "InChI_key": "WNWALBVQAAIULR-UHFFFAOYSA-N" } }, "CID:6437862": { "type": "Drug", "properties": { "id": "CID:6437862", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6437862", "label": "Drotaverine", "FDA_Category_D_L1000_Similarity": 0.478782, "FDA_Category_D_Structural_Similarity": -0.502786, "FDA_Category_D_Weighted_Contribution": -0.31053, "FDA_Category_D_Top_Rank": -0.0856935, "FDA_Category_X_L1000_Similarity": 0.405113, "FDA_Category_X_Structural_Similarity": 0.899664, "FDA_Category_X_Weighted_Contribution": 1.04759, "FDA_Category_X_Top_Rank": -0.0456525, "FDA_Category_D_and_X_L1000_Similarity": 0.535737, "FDA_Category_D_and_X_Structural_Similarity": 0.0863869, "FDA_Category_D_and_X_Weighted_Contribution": 0.228447, "FDA_Category_D_and_X_Top_Rank": -0.0844189, "Placenta_Crossing_L1000_Similarity": 0.695921, "Placenta_Crossing_Structural_Similarity": -0.408027, "Placenta_Crossing_Weighted_Contribution": -0.183572, "Placenta_Crossing_Top_Rank": -0.079022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6439848": { "type": "Drug", "properties": { "id": "CID:6439848", "label": "eicosadienoic-acid", "lsm": "LSM-3806", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6439848", "FDA_Category_D_L1000_Similarity": 0.491478, "FDA_Category_D_Structural_Similarity": 0.137475, "FDA_Category_D_Weighted_Contribution": 0.296269, "FDA_Category_D_Top_Rank": -0.0814827, "FDA_Category_X_L1000_Similarity": -1.00396, "FDA_Category_X_Structural_Similarity": 1.28523, "FDA_Category_X_Weighted_Contribution": 0.688734, "FDA_Category_X_Top_Rank": -0.0221154, "FDA_Category_D_and_X_L1000_Similarity": 0.118779, "FDA_Category_D_and_X_Structural_Similarity": 0.802623, "FDA_Category_D_and_X_Weighted_Contribution": 0.71876, "FDA_Category_D_and_X_Top_Rank": -0.0632107, "Placenta_Crossing_L1000_Similarity": 0.512852, "Placenta_Crossing_Structural_Similarity": 1.4493, "Placenta_Crossing_Weighted_Contribution": 1.62765, "Placenta_Crossing_Top_Rank": -0.0237937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:644030": { "type": "Drug", "properties": { "id": "CID:644030", "label": "dy-131", "lsm": "LSM-3385", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/644030", "FDA_Category_D_L1000_Similarity": 0.696339, "FDA_Category_D_Structural_Similarity": 0.194498, "FDA_Category_D_Weighted_Contribution": 0.477477, "FDA_Category_D_Top_Rank": -0.0796742, "FDA_Category_X_L1000_Similarity": -0.744753, "FDA_Category_X_Structural_Similarity": -0.294296, "FDA_Category_X_Weighted_Contribution": -0.693251, "FDA_Category_X_Top_Rank": -0.0864114, "FDA_Category_D_and_X_L1000_Similarity": 0.374086, "FDA_Category_D_and_X_Structural_Similarity": -0.00442525, "FDA_Category_D_and_X_Weighted_Contribution": 0.0546383, "FDA_Category_D_and_X_Top_Rank": -0.0864529, "Placenta_Crossing_L1000_Similarity": 0.173695, "Placenta_Crossing_Structural_Similarity": -0.026631, "Placenta_Crossing_Weighted_Contribution": -0.0788114, "Placenta_Crossing_Top_Rank": -0.0828242, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O", "InChI_key": "WLKOCYWYAWBGKY-UHFFFAOYSA-N" } }, "CID:644076": { "type": "Drug", "properties": { "id": "CID:644076", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/644076", "label": "lypressin", "ref": "LSM-5977", "FDA_Category_D_L1000_Similarity": 1.18369, "FDA_Category_X_L1000_Similarity": -1.07371, "FDA_Category_D_and_X_L1000_Similarity": 0.694283, "Placenta_Crossing_L1000_Similarity": 0.582069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N", "InChI_key": "BJFIDCADFRDPIO-DZCXQCEKSA-N" } }, "CID:6450546": { "type": "Drug", "properties": { "id": "CID:6450546", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6450546", "label": "gavestinel", "FDA_Category_D_L1000_Similarity": 0.515224, "FDA_Category_D_Structural_Similarity": 1.97884, "FDA_Category_D_Weighted_Contribution": 2.2652, "FDA_Category_D_Top_Rank": 0.0448675, "FDA_Category_X_L1000_Similarity": 0.0639172, "FDA_Category_X_Structural_Similarity": -0.129135, "FDA_Category_X_Weighted_Contribution": -0.213059, "FDA_Category_X_Top_Rank": -0.0829745, "FDA_Category_D_and_X_L1000_Similarity": 0.463544, "FDA_Category_D_and_X_Structural_Similarity": 1.50095, "FDA_Category_D_and_X_Weighted_Contribution": 1.66709, "FDA_Category_D_and_X_Top_Rank": -0.0147072, "Placenta_Crossing_L1000_Similarity": -0.190239, "Placenta_Crossing_Structural_Similarity": 0.289289, "Placenta_Crossing_Weighted_Contribution": 0.043163, "Placenta_Crossing_Top_Rank": -0.075255, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=O)C=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O", "InChI_key": "WZBNEZWCNKUOSM-VOTSOKGWSA-N" } }, "CID:6450551": { "type": "Drug", "properties": { "id": "CID:6450551", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6450551", "label": "axitinib", "FDA_Category_D_L1000_Similarity": 0.966157, "FDA_Category_D_Structural_Similarity": 1.16987, "FDA_Category_D_Weighted_Contribution": 1.70192, "FDA_Category_D_Top_Rank": -0.0419124, "FDA_Category_X_L1000_Similarity": -1.56712, "FDA_Category_X_Structural_Similarity": -0.714455, "FDA_Category_X_Weighted_Contribution": -1.2271, "FDA_Category_X_Top_Rank": -0.0918913, "FDA_Category_D_and_X_L1000_Similarity": 0.356938, "FDA_Category_D_and_X_Structural_Similarity": 0.543025, "FDA_Category_D_and_X_Weighted_Contribution": 0.587414, "FDA_Category_D_and_X_Top_Rank": -0.0726147, "Placenta_Crossing_L1000_Similarity": 0.489323, "Placenta_Crossing_Structural_Similarity": 0.848265, "Placenta_Crossing_Weighted_Contribution": 0.967626, "Placenta_Crossing_Top_Rank": -0.057398, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4", "InChI_key": "RITAVMQDGBJQJZ-FMIVXFBMSA-N" } }, "CID:6451149": { "type": "Drug", "properties": { "id": "CID:6451149", "label": "netupitant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6451149", "IDG_ID": "4898", "FDA_Category_D_L1000_Similarity": -2.19063, "FDA_Category_D_Structural_Similarity": -0.50917, "FDA_Category_D_Weighted_Contribution": -1.32087, "FDA_Category_D_Top_Rank": -0.094219, "FDA_Category_X_L1000_Similarity": 1.29514, "FDA_Category_X_Structural_Similarity": -0.238623, "FDA_Category_X_Weighted_Contribution": 0.28646, "FDA_Category_X_Top_Rank": -0.0595545, "FDA_Category_D_and_X_L1000_Similarity": -1.49505, "FDA_Category_D_and_X_Structural_Similarity": -0.532895, "FDA_Category_D_and_X_Weighted_Contribution": -1.10699, "FDA_Category_D_and_X_Top_Rank": -0.0942635, "Placenta_Crossing_L1000_Similarity": -0.847763, "Placenta_Crossing_Structural_Similarity": -0.837077, "Placenta_Crossing_Weighted_Contribution": -1.05939, "Placenta_Crossing_Top_Rank": -0.0915862, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C", "InChI_key": "WAXQNWCZJDTGBU-UHFFFAOYSA-N" } }, "CID:6453092": { "type": "Drug", "properties": { "id": "CID:6453092", "label": "isorotenone", "lsm": "LSM-2115", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6453092", "FDA_Category_D_L1000_Similarity": -1.29991, "FDA_Category_D_Structural_Similarity": -0.0280817, "FDA_Category_D_Weighted_Contribution": -0.752557, "FDA_Category_D_Top_Rank": -0.0857673, "FDA_Category_X_L1000_Similarity": -2.05624, "FDA_Category_X_Structural_Similarity": -0.282274, "FDA_Category_X_Weighted_Contribution": -1.12352, "FDA_Category_X_Top_Rank": -0.0861727, "FDA_Category_D_and_X_L1000_Similarity": -1.74499, "FDA_Category_D_and_X_Structural_Similarity": -0.174603, "FDA_Category_D_and_X_Weighted_Contribution": -0.985658, "FDA_Category_D_and_X_Top_Rank": -0.0897886, "Placenta_Crossing_L1000_Similarity": -1.36292, "Placenta_Crossing_Structural_Similarity": -0.387788, "Placenta_Crossing_Weighted_Contribution": -0.949725, "Placenta_Crossing_Top_Rank": -0.0885626, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC", "InChI_key": "DJDRQIXLFYUYAA-RTWAWAEBSA-N" } }, "CID:6473866": { "type": "Drug", "properties": { "id": "CID:6473866", "label": "tacrolimus", "lsm": "LSM-3557", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6473866", "drugcentral_id": "2552", "IDG_ID": "2552", "FDA_Category_D_L1000_Similarity": -0.77079, "FDA_Category_D_Structural_Similarity": -0.373289, "FDA_Category_D_Weighted_Contribution": -0.777167, "FDA_Category_D_Top_Rank": -0.0925485, "FDA_Category_X_L1000_Similarity": 1.74509, "FDA_Category_X_Structural_Similarity": 2.22105, "FDA_Category_X_Weighted_Contribution": 3.11393, "FDA_Category_X_Top_Rank": 0.0682715, "FDA_Category_D_and_X_L1000_Similarity": -0.13448, "FDA_Category_D_and_X_Structural_Similarity": 0.902183, "FDA_Category_D_and_X_Weighted_Contribution": 0.674383, "FDA_Category_D_and_X_Top_Rank": -0.0580091, "Placenta_Crossing_L1000_Similarity": -0.601814, "Placenta_Crossing_Structural_Similarity": 0.357507, "Placenta_Crossing_Weighted_Contribution": -0.0872828, "Placenta_Crossing_Top_Rank": -0.0736236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC", "InChI_key": "QJJXYPPXXYFBGM-LJIGMGMYSA-N" } }, "CID:6473883": { "type": "Drug", "properties": { "id": "CID:6473883", "label": "dirithromycin", "lsm": "LSM-5636", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6473883", "FDA_Category_D_L1000_Similarity": -0.667831, "FDA_Category_D_Structural_Similarity": 1.10395, "FDA_Category_D_Weighted_Contribution": 0.593285, "FDA_Category_D_Top_Rank": -0.0453613, "FDA_Category_X_L1000_Similarity": 1.25385, "FDA_Category_X_Structural_Similarity": -0.608622, "FDA_Category_X_Weighted_Contribution": -0.104292, "FDA_Category_X_Top_Rank": -0.0615419, "FDA_Category_D_and_X_L1000_Similarity": -0.194915, "FDA_Category_D_and_X_Structural_Similarity": 0.547811, "FDA_Category_D_and_X_Weighted_Contribution": 0.279322, "FDA_Category_D_and_X_Top_Rank": -0.0723545, "Placenta_Crossing_L1000_Similarity": 0.346799, "Placenta_Crossing_Structural_Similarity": -0.0357333, "Placenta_Crossing_Weighted_Contribution": -0.00616202, "Placenta_Crossing_Top_Rank": -0.0829867, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)NC(O2)COCCOC)C)(C)O", "InChI_key": "WLOHNSSYAXHWNR-DWIOZXRMSA-N" } }, "CID:6476406": { "type": "Drug", "properties": { "id": "CID:6476406", "label": "brd-k63425657", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6476406", "FDA_Category_D_L1000_Similarity": 1.3708, "FDA_Category_D_Structural_Similarity": 1.27745, "FDA_Category_D_Weighted_Contribution": 2.06372, "FDA_Category_D_Top_Rank": -0.0292273, "FDA_Category_X_L1000_Similarity": 0.771043, "FDA_Category_X_Structural_Similarity": -0.052166, "FDA_Category_X_Weighted_Contribution": 0.207929, "FDA_Category_X_Top_Rank": -0.0776646, "FDA_Category_D_and_X_L1000_Similarity": 1.41581, "FDA_Category_D_and_X_Structural_Similarity": 0.985784, "FDA_Category_D_and_X_Weighted_Contribution": 1.68661, "FDA_Category_D_and_X_Top_Rank": -0.0346064, "Placenta_Crossing_L1000_Similarity": 0.296247, "Placenta_Crossing_Structural_Similarity": -0.8318, "Placenta_Crossing_Weighted_Contribution": -0.686305, "Placenta_Crossing_Top_Rank": -0.0856865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1O)OC)C=C2C(=O)C3=C(C=C(C=C3O2)O)O", "InChI_key": "LOVMOOUQHWMIHZ-RZNTYIFUSA-N" } }, "CID:6477": { "type": "Drug", "properties": { "id": "CID:6477", "label": "acedapsone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6477", "FDA_Category_D_L1000_Similarity": -0.323528, "FDA_Category_D_Structural_Similarity": 0.525765, "FDA_Category_D_Weighted_Contribution": 0.207353, "FDA_Category_D_Top_Rank": -0.0701485, "FDA_Category_X_L1000_Similarity": 0.183779, "FDA_Category_X_Structural_Similarity": -0.745572, "FDA_Category_X_Weighted_Contribution": -0.683058, "FDA_Category_X_Top_Rank": -0.0861082, "FDA_Category_D_and_X_L1000_Similarity": -0.22307, "FDA_Category_D_and_X_Structural_Similarity": 0.0149992, "FDA_Category_D_and_X_Weighted_Contribution": -0.229879, "FDA_Category_D_and_X_Top_Rank": -0.0859898, "Placenta_Crossing_L1000_Similarity": 0.0643631, "Placenta_Crossing_Structural_Similarity": 0.103105, "Placenta_Crossing_Weighted_Contribution": -0.0103013, "Placenta_Crossing_Top_Rank": -0.0799584, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:65015": { "type": "Drug", "properties": { "id": "CID:65015", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65015", "label": "plerixafor", "FDA_Category_D_L1000_Similarity": -0.461436, "FDA_Category_D_Structural_Similarity": -0.842792, "FDA_Category_D_Weighted_Contribution": -0.964917, "FDA_Category_D_Top_Rank": -0.0949945, "FDA_Category_X_L1000_Similarity": 0.414789, "FDA_Category_X_Structural_Similarity": -0.576572, "FDA_Category_X_Weighted_Contribution": -0.453705, "FDA_Category_X_Top_Rank": -0.0835772, "FDA_Category_D_and_X_L1000_Similarity": -0.271802, "FDA_Category_D_and_X_Structural_Similarity": -0.980051, "FDA_Category_D_and_X_Weighted_Contribution": -0.973702, "FDA_Category_D_and_X_Top_Rank": -0.0940574, "Placenta_Crossing_L1000_Similarity": 1.22547, "Placenta_Crossing_Structural_Similarity": -0.785455, "Placenta_Crossing_Weighted_Contribution": -0.278357, "Placenta_Crossing_Top_Rank": -0.0606449, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3", "InChI_key": "YIQPUIGJQJDJOS-UHFFFAOYSA-N" } }, "CID:6519698": { "type": "Drug", "properties": { "id": "CID:6519698", "label": "JIB04", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6519698", "FDA_Category_D_L1000_Similarity": -1.35607, "FDA_Category_X_L1000_Similarity": -2.83802, "FDA_Category_D_and_X_L1000_Similarity": -2.03081, "Placenta_Crossing_L1000_Similarity": -2.69304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:65351": { "type": "Drug", "properties": { "id": "CID:65351", "label": "pyrrolidine-dithiocarbamate", "lsm": "LSM-3818", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65351", "FDA_Category_D_L1000_Similarity": -0.835994, "FDA_Category_D_Structural_Similarity": -0.786895, "FDA_Category_D_Weighted_Contribution": -1.06132, "FDA_Category_D_Top_Rank": -0.0960203, "FDA_Category_X_L1000_Similarity": -1.8714, "FDA_Category_X_Structural_Similarity": -0.687948, "FDA_Category_X_Weighted_Contribution": -1.29151, "FDA_Category_X_Top_Rank": -0.0918613, "FDA_Category_D_and_X_L1000_Similarity": -1.28895, "FDA_Category_D_and_X_Structural_Similarity": -0.995783, "FDA_Category_D_and_X_Weighted_Contribution": -1.27591, "FDA_Category_D_and_X_Top_Rank": -0.096516, "Placenta_Crossing_L1000_Similarity": -1.65888, "Placenta_Crossing_Structural_Similarity": -0.924394, "Placenta_Crossing_Weighted_Contribution": -1.30736, "Placenta_Crossing_Top_Rank": -0.0922481, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C(=S)S", "InChI_key": "VSWDORGPIHIGNW-UHFFFAOYSA-N" } }, "CID:65399": { "type": "Drug", "properties": { "id": "CID:65399", "label": "triciribine", "lsm": "LSM-3810", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65399", "FDA_Category_D_L1000_Similarity": -3.42992, "FDA_Category_D_Structural_Similarity": 0.793801, "FDA_Category_D_Weighted_Contribution": -1.02574, "FDA_Category_D_Top_Rank": -0.0607525, "FDA_Category_X_L1000_Similarity": -0.660582, "FDA_Category_X_Structural_Similarity": 0.473849, "FDA_Category_X_Weighted_Contribution": 0.0163074, "FDA_Category_X_Top_Rank": -0.0630887, "FDA_Category_D_and_X_L1000_Similarity": -3.15725, "FDA_Category_D_and_X_Structural_Similarity": 0.885738, "FDA_Category_D_and_X_Weighted_Contribution": -0.819101, "FDA_Category_D_and_X_Top_Rank": -0.058943, "Placenta_Crossing_L1000_Similarity": -3.33135, "Placenta_Crossing_Structural_Similarity": -0.499338, "Placenta_Crossing_Weighted_Contribution": -1.47372, "Placenta_Crossing_Top_Rank": -0.0896831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N", "InChI_key": "HOGVTUZUJGHKPL-HTVVRFAVSA-N" } }, "CID:65482": { "type": "Drug", "properties": { "id": "CID:65482", "label": "sinefungin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65482", "FDA_Category_D_L1000_Similarity": 0.0781031, "FDA_Category_D_Structural_Similarity": 1.38839, "FDA_Category_D_Weighted_Contribution": 1.37503, "FDA_Category_D_Top_Rank": -0.0272747, "FDA_Category_X_L1000_Similarity": -0.226647, "FDA_Category_X_Structural_Similarity": -0.262752, "FDA_Category_X_Weighted_Contribution": -0.45976, "FDA_Category_X_Top_Rank": -0.0857833, "FDA_Category_D_and_X_L1000_Similarity": -0.00150523, "FDA_Category_D_and_X_Structural_Similarity": 0.9602, "FDA_Category_D_and_X_Weighted_Contribution": 0.81368, "FDA_Category_D_and_X_Top_Rank": -0.0554325, "Placenta_Crossing_L1000_Similarity": 0.13832, "Placenta_Crossing_Structural_Similarity": 0.445078, "Placenta_Crossing_Weighted_Contribution": 0.358421, "Placenta_Crossing_Top_Rank": -0.0711707, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N", "InChI_key": "LMXOHSDXUQEUSF-YECHIGJVSA-N" } }, "CID:656615": { "type": "Drug", "properties": { "id": "CID:656615", "label": "canrenoic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/656615", "FDA_Category_D_L1000_Similarity": 0.138326, "FDA_Category_X_L1000_Similarity": -0.0261902, "FDA_Category_D_and_X_L1000_Similarity": 0.111288, "Placenta_Crossing_L1000_Similarity": 0.267978, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)O)O)C", "InChI_key": "PBKZPPIHUVSDNM-WNHSNXHDSA-N" } }, "CID:65663": { "type": "Drug", "properties": { "id": "CID:65663", "label": "aloxistatin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65663", "FDA_Category_D_L1000_Similarity": -0.184515, "FDA_Category_D_Structural_Similarity": 0.937095, "FDA_Category_D_Weighted_Contribution": 0.716665, "FDA_Category_D_Top_Rank": -0.0536284, "FDA_Category_X_L1000_Similarity": -1.36863, "FDA_Category_X_Structural_Similarity": 5.76837, "FDA_Category_X_Weighted_Contribution": 4.20796, "FDA_Category_X_Top_Rank": 1.54422, "FDA_Category_D_and_X_L1000_Similarity": -0.574682, "FDA_Category_D_and_X_Structural_Similarity": 3.85638, "FDA_Category_D_and_X_Weighted_Contribution": 3.21517, "FDA_Category_D_and_X_Top_Rank": 0.605825, "Placenta_Crossing_L1000_Similarity": 0.103607, "Placenta_Crossing_Structural_Similarity": 1.19027, "Placenta_Crossing_Weighted_Contribution": 1.12546, "Placenta_Crossing_Top_Rank": -0.0401027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:656717": { "type": "Drug", "properties": { "id": "CID:656717", "label": "IAA-94", "lsm": "LSM-3913", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/656717", "FDA_Category_D_L1000_Similarity": 0.221852, "FDA_Category_D_Structural_Similarity": -0.885229, "FDA_Category_D_Weighted_Contribution": -0.728584, "FDA_Category_D_Top_Rank": -0.089964, "FDA_Category_X_L1000_Similarity": 0.462761, "FDA_Category_X_Structural_Similarity": -0.62797, "FDA_Category_X_Weighted_Contribution": -0.476799, "FDA_Category_X_Top_Rank": -0.0829787, "FDA_Category_D_and_X_L1000_Similarity": 0.33177, "FDA_Category_D_and_X_Structural_Similarity": -1.04147, "FDA_Category_D_and_X_Weighted_Contribution": -0.80021, "FDA_Category_D_and_X_Top_Rank": -0.0885104, "Placenta_Crossing_L1000_Similarity": 0.903727, "Placenta_Crossing_Structural_Similarity": 2.27793, "Placenta_Crossing_Weighted_Contribution": 2.63568, "Placenta_Crossing_Top_Rank": 0.0600007, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:656732": { "type": "Drug", "properties": { "id": "CID:656732", "label": "xe-991", "lsm": "LSM-2949", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/656732", "FDA_Category_D_L1000_Similarity": 0.178074, "FDA_Category_D_Structural_Similarity": 0.59261, "FDA_Category_D_Weighted_Contribution": 0.576433, "FDA_Category_D_Top_Rank": -0.0676191, "FDA_Category_X_L1000_Similarity": 2.3378, "FDA_Category_X_Structural_Similarity": -0.330577, "FDA_Category_X_Weighted_Contribution": 0.751352, "FDA_Category_X_Top_Rank": 0.0889073, "FDA_Category_D_and_X_L1000_Similarity": 0.863449, "FDA_Category_D_and_X_Structural_Similarity": 0.291984, "FDA_Category_D_and_X_Weighted_Contribution": 0.621497, "FDA_Category_D_and_X_Top_Rank": -0.0755043, "Placenta_Crossing_L1000_Similarity": 0.117742, "Placenta_Crossing_Structural_Similarity": 0.33818, "Placenta_Crossing_Weighted_Contribution": 0.241324, "Placenta_Crossing_Top_Rank": -0.0741205, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5", "InChI_key": "KHJFBUUFMUBONL-UHFFFAOYSA-N" } }, "CID:656765": { "type": "Drug", "properties": { "id": "CID:656765", "label": "dcebio", "lsm": "LSM-2704", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/656765", "FDA_Category_D_L1000_Similarity": 0.52395, "FDA_Category_D_Structural_Similarity": 0.569981, "FDA_Category_D_Weighted_Contribution": 0.767831, "FDA_Category_D_Top_Rank": -0.068539, "FDA_Category_X_L1000_Similarity": -0.743446, "FDA_Category_X_Structural_Similarity": -0.423507, "FDA_Category_X_Weighted_Contribution": -0.788621, "FDA_Category_X_Top_Rank": -0.0886162, "FDA_Category_D_and_X_L1000_Similarity": 0.225883, "FDA_Category_D_and_X_Structural_Similarity": 0.223879, "FDA_Category_D_and_X_Weighted_Contribution": 0.193229, "FDA_Category_D_and_X_Top_Rank": -0.0811777, "Placenta_Crossing_L1000_Similarity": 1.04326, "Placenta_Crossing_Structural_Similarity": -0.430905, "Placenta_Crossing_Weighted_Contribution": -0.0449684, "Placenta_Crossing_Top_Rank": -0.0688659, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl", "InChI_key": "LKHRMULASXZCLG-UHFFFAOYSA-N" } }, "CID:65854": { "type": "Drug", "properties": { "id": "CID:65854", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65854", "label": "anpirtoline", "FDA_Category_D_L1000_Similarity": 0.414202, "FDA_Category_D_Structural_Similarity": -0.586194, "FDA_Category_D_Weighted_Contribution": -0.412496, "FDA_Category_D_Top_Rank": -0.0869422, "FDA_Category_X_L1000_Similarity": 2.42084, "FDA_Category_X_Structural_Similarity": -0.294312, "FDA_Category_X_Weighted_Contribution": 0.838324, "FDA_Category_X_Top_Rank": 0.125972, "FDA_Category_D_and_X_L1000_Similarity": 1.09221, "FDA_Category_D_and_X_Structural_Similarity": -0.624079, "FDA_Category_D_and_X_Weighted_Contribution": -0.143805, "FDA_Category_D_and_X_Top_Rank": -0.0631415, "Placenta_Crossing_L1000_Similarity": 1.04727, "Placenta_Crossing_Structural_Similarity": 0.433244, "Placenta_Crossing_Weighted_Contribution": 0.826198, "Placenta_Crossing_Top_Rank": -0.0687209, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1SC2=NC(=CC=C2)Cl", "InChI_key": "GGALEXMXDMUMDM-UHFFFAOYSA-N" } }, "CID:65909": { "type": "Drug", "properties": { "id": "CID:65909", "label": "zaldaride", "lsm": "LSM-1413", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65909", "FDA_Category_D_L1000_Similarity": -0.721058, "FDA_Category_D_Structural_Similarity": 0.357893, "FDA_Category_D_Weighted_Contribution": -0.171737, "FDA_Category_D_Top_Rank": -0.0754709, "FDA_Category_X_L1000_Similarity": 1.20832, "FDA_Category_X_Structural_Similarity": -0.499385, "FDA_Category_X_Weighted_Contribution": -0.0209436, "FDA_Category_X_Top_Rank": -0.0636843, "FDA_Category_D_and_X_L1000_Similarity": -0.254623, "FDA_Category_D_and_X_Structural_Similarity": 0.0145985, "FDA_Category_D_and_X_Weighted_Contribution": -0.245466, "FDA_Category_D_and_X_Top_Rank": -0.086005, "Placenta_Crossing_L1000_Similarity": -0.251523, "Placenta_Crossing_Structural_Similarity": 0.243715, "Placenta_Crossing_Weighted_Contribution": -0.0285449, "Placenta_Crossing_Top_Rank": -0.0767446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O", "InChI_key": "HTGCJAAPDHZCHL-UHFFFAOYSA-N" } }, "CID:6602442": { "type": "Drug", "properties": { "id": "CID:6602442", "label": "hydrocortisone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6602442", "FDA_Category_D_L1000_Similarity": 0.342262, "FDA_Category_D_Structural_Similarity": 1.00867, "FDA_Category_D_Weighted_Contribution": 1.12875, "FDA_Category_D_Top_Rank": -0.0503525, "FDA_Category_X_L1000_Similarity": 0.777833, "FDA_Category_X_Structural_Similarity": 3.17515, "FDA_Category_X_Weighted_Contribution": 3.46749, "FDA_Category_X_Top_Rank": 0.256234, "FDA_Category_D_and_X_L1000_Similarity": 0.531241, "FDA_Category_D_and_X_Structural_Similarity": 2.51389, "FDA_Category_D_and_X_Weighted_Contribution": 2.67548, "FDA_Category_D_and_X_Top_Rank": 0.108833, "Placenta_Crossing_L1000_Similarity": -0.00207001, "Placenta_Crossing_Structural_Similarity": 0.663677, "Placenta_Crossing_Weighted_Contribution": 0.508851, "Placenta_Crossing_Top_Rank": -0.0642922, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)(O)O)O)C)O", "InChI_key": "BGSOJVFOEQLVMH-QVABZINDSA-N" } }, "CID:6603827": { "type": "Drug", "properties": { "id": "CID:6603827", "label": "brd-k41143549", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6603827", "FDA_Category_D_L1000_Similarity": -0.568543, "FDA_Category_D_Structural_Similarity": -0.491602, "FDA_Category_D_Weighted_Contribution": -0.777084, "FDA_Category_D_Top_Rank": -0.0940095, "FDA_Category_X_L1000_Similarity": -0.746991, "FDA_Category_X_Structural_Similarity": -0.31618, "FDA_Category_X_Weighted_Contribution": -0.710671, "FDA_Category_X_Top_Rank": -0.0867853, "FDA_Category_D_and_X_L1000_Similarity": -0.716938, "FDA_Category_D_and_X_Structural_Similarity": -0.5608, "FDA_Category_D_and_X_Weighted_Contribution": -0.869814, "FDA_Category_D_and_X_Top_Rank": -0.0944885, "Placenta_Crossing_L1000_Similarity": -0.243472, "Placenta_Crossing_Structural_Similarity": 0.281881, "Placenta_Crossing_Weighted_Contribution": 0.0108083, "Placenta_Crossing_Top_Rank": -0.0754885, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(CCNCC(=O)N)C2=CC=CC=C2", "InChI_key": "BYGXICRJQZKUPA-UHFFFAOYSA-N" } }, "CID:6603897": { "type": "Drug", "properties": { "id": "CID:6603897", "label": "l-750667", "lsm": "LSM-2633", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6603897", "FDA_Category_D_L1000_Similarity": 0.0964463, "FDA_Category_D_Structural_Similarity": 0.0413092, "FDA_Category_D_Weighted_Contribution": -0.0228241, "FDA_Category_D_Top_Rank": -0.0841642, "FDA_Category_X_L1000_Similarity": 0.471792, "FDA_Category_X_Structural_Similarity": -0.58726, "FDA_Category_X_Weighted_Contribution": -0.438552, "FDA_Category_X_Top_Rank": -0.0828491, "FDA_Category_D_and_X_L1000_Similarity": 0.226413, "FDA_Category_D_and_X_Structural_Similarity": -0.284096, "FDA_Category_D_and_X_Weighted_Contribution": -0.270318, "FDA_Category_D_and_X_Top_Rank": -0.0898858, "Placenta_Crossing_L1000_Similarity": 0.321792, "Placenta_Crossing_Structural_Similarity": 0.119446, "Placenta_Crossing_Weighted_Contribution": 0.128934, "Placenta_Crossing_Top_Rank": -0.0795736, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)I", "InChI_key": "OOEUHRGMLFVKQO-UHFFFAOYSA-N" } }, "CID:6603901": { "type": "Drug", "properties": { "id": "CID:6603901", "label": "{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid", "lsm": "LSM-6012", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6603901", "FDA_Category_D_L1000_Similarity": 0.648712, "FDA_Category_D_Structural_Similarity": 1.52504, "FDA_Category_D_Weighted_Contribution": 1.88175, "FDA_Category_D_Top_Rank": -0.0143779, "FDA_Category_X_L1000_Similarity": 0.0378844, "FDA_Category_X_Structural_Similarity": -0.663265, "FDA_Category_X_Weighted_Contribution": -0.675936, "FDA_Category_X_Top_Rank": -0.0873364, "FDA_Category_D_and_X_L1000_Similarity": 0.570703, "FDA_Category_D_and_X_Structural_Similarity": 0.852553, "FDA_Category_D_and_X_Weighted_Contribution": 1.04041, "FDA_Category_D_and_X_Top_Rank": -0.061193, "Placenta_Crossing_L1000_Similarity": 1.31138, "Placenta_Crossing_Structural_Similarity": -0.255094, "Placenta_Crossing_Weighted_Contribution": 0.253446, "Placenta_Crossing_Top_Rank": -0.0546937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)OCC(=O)O", "InChI_key": "HBBVCKCCQCQCTJ-UHFFFAOYSA-N" } }, "CID:6604200": { "type": "Drug", "properties": { "id": "CID:6604200", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6604200", "label": "nitrofurantoin", "FDA_Category_D_L1000_Similarity": -0.308975, "FDA_Category_D_Structural_Similarity": 2.05627, "FDA_Category_D_Weighted_Contribution": 1.85058, "FDA_Category_D_Top_Rank": 0.0586251, "FDA_Category_X_L1000_Similarity": -0.768853, "FDA_Category_X_Structural_Similarity": -0.314841, "FDA_Category_X_Weighted_Contribution": -0.717895, "FDA_Category_X_Top_Rank": -0.0867622, "FDA_Category_D_and_X_L1000_Similarity": -0.49983, "FDA_Category_D_and_X_Structural_Similarity": 1.4622, "FDA_Category_D_and_X_Weighted_Contribution": 1.05061, "FDA_Category_D_and_X_Top_Rank": -0.0189752, "Placenta_Crossing_L1000_Similarity": -0.353298, "Placenta_Crossing_Structural_Similarity": 1.37274, "Placenta_Crossing_Weighted_Contribution": 1.07218, "Placenta_Crossing_Top_Rank": -0.0286378, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]", "InChI_key": "NXFQHRVNIOXGAQ-YCRREMRBSA-N" } }, "CID:6604381": { "type": "Drug", "properties": { "id": "CID:6604381", "label": "tyloxapol", "lsm": "LSM-5569", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604381", "FDA_Category_D_L1000_Similarity": -2.65694, "FDA_Category_D_Structural_Similarity": -0.769446, "FDA_Category_D_Weighted_Contribution": -1.52624, "FDA_Category_D_Top_Rank": -0.0963214, "FDA_Category_X_L1000_Similarity": -0.431034, "FDA_Category_X_Structural_Similarity": 0.121477, "FDA_Category_X_Weighted_Contribution": -0.210349, "FDA_Category_X_Top_Rank": -0.0764052, "FDA_Category_D_and_X_L1000_Similarity": -2.42123, "FDA_Category_D_and_X_Structural_Similarity": -0.545171, "FDA_Category_D_and_X_Weighted_Contribution": -1.35418, "FDA_Category_D_and_X_Top_Rank": -0.0943617, "Placenta_Crossing_L1000_Similarity": -2.92254, "Placenta_Crossing_Structural_Similarity": -0.15987, "Placenta_Crossing_Weighted_Contribution": -1.25153, "Placenta_Crossing_Top_Rank": -0.0853285, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6604471": { "type": "Drug", "properties": { "id": "CID:6604471", "label": "methiazole", "lsm": "LSM-4894", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604471", "FDA_Category_D_L1000_Similarity": -0.0402471, "FDA_Category_D_Structural_Similarity": -0.485837, "FDA_Category_D_Weighted_Contribution": -0.545439, "FDA_Category_D_Top_Rank": -0.0925231, "FDA_Category_X_L1000_Similarity": 0.225688, "FDA_Category_X_Structural_Similarity": -0.437613, "FDA_Category_X_Weighted_Contribution": -0.415876, "FDA_Category_X_Top_Rank": -0.0856923, "FDA_Category_D_and_X_L1000_Similarity": 0.0338405, "FDA_Category_D_and_X_Structural_Similarity": -0.62175, "FDA_Category_D_and_X_Weighted_Contribution": -0.623737, "FDA_Category_D_and_X_Top_Rank": -0.0919111, "Placenta_Crossing_L1000_Similarity": -0.890285, "Placenta_Crossing_Structural_Similarity": -0.80718, "Placenta_Crossing_Weighted_Contribution": -1.05473, "Placenta_Crossing_Top_Rank": -0.0916543, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6604794": { "type": "Drug", "properties": { "id": "CID:6604794", "label": "rs-16566", "lsm": "LSM-3814", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604794", "FDA_Category_D_L1000_Similarity": 0.655284, "FDA_Category_D_Structural_Similarity": -0.0301014, "FDA_Category_D_Weighted_Contribution": 0.224532, "FDA_Category_D_Top_Rank": -0.0810371, "FDA_Category_X_L1000_Similarity": 0.382039, "FDA_Category_X_Structural_Similarity": -0.438078, "FDA_Category_X_Weighted_Contribution": -0.348167, "FDA_Category_X_Top_Rank": -0.0839798, "FDA_Category_D_and_X_L1000_Similarity": 0.680881, "FDA_Category_D_and_X_Structural_Similarity": -0.260277, "FDA_Category_D_and_X_Weighted_Contribution": -0.023321, "FDA_Category_D_and_X_Top_Rank": -0.0816462, "Placenta_Crossing_L1000_Similarity": 0.624978, "Placenta_Crossing_Structural_Similarity": 0.246199, "Placenta_Crossing_Weighted_Contribution": 0.407035, "Placenta_Crossing_Top_Rank": -0.0766842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1C=NC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4", "InChI_key": "OGXMGJGFLBSEJW-HNNXBMFYSA-N" } }, "CID:6604822": { "type": "Drug", "properties": { "id": "CID:6604822", "label": "am-404", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604822", "FDA_Category_D_L1000_Similarity": -0.579067, "FDA_Category_D_Structural_Similarity": -0.172847, "FDA_Category_D_Weighted_Contribution": -0.547413, "FDA_Category_D_Top_Rank": -0.0889319, "FDA_Category_X_L1000_Similarity": -1.17742, "FDA_Category_X_Structural_Similarity": 1.27149, "FDA_Category_X_Weighted_Contribution": 0.578179, "FDA_Category_X_Top_Rank": -0.0231106, "FDA_Category_D_and_X_L1000_Similarity": -0.856729, "FDA_Category_D_and_X_Structural_Similarity": 0.548899, "FDA_Category_D_and_X_Weighted_Contribution": -0.0715358, "FDA_Category_D_and_X_Top_Rank": -0.0723052, "Placenta_Crossing_L1000_Similarity": -1.61425, "Placenta_Crossing_Structural_Similarity": 1.12652, "Placenta_Crossing_Weighted_Contribution": 0.152996, "Placenta_Crossing_Top_Rank": -0.0441783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1=CC=C(C=C1)O", "InChI_key": "IJBZOOZRAXHERC-DOFZRALJSA-N" } }, "CID:6604893": { "type": "Drug", "properties": { "id": "CID:6604893", "label": "DFB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604893", "FDA_Category_D_L1000_Similarity": -0.272507, "FDA_Category_X_L1000_Similarity": -0.294171, "FDA_Category_D_and_X_L1000_Similarity": -0.324239, "Placenta_Crossing_L1000_Similarity": -0.273032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6604915": { "type": "Drug", "properties": { "id": "CID:6604915", "label": "OMDM-2", "lsm": "LSM-1521", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604915", "FDA_Category_D_L1000_Similarity": -1.22129, "FDA_Category_D_Structural_Similarity": -0.942538, "FDA_Category_D_Weighted_Contribution": -1.25948, "FDA_Category_D_Top_Rank": -0.0965539, "FDA_Category_X_L1000_Similarity": 0.850322, "FDA_Category_X_Structural_Similarity": -0.711367, "FDA_Category_X_Weighted_Contribution": -0.382296, "FDA_Category_X_Top_Rank": -0.0756508, "FDA_Category_D_and_X_L1000_Similarity": -0.794532, "FDA_Category_D_and_X_Structural_Similarity": -1.13196, "FDA_Category_D_and_X_Weighted_Contribution": -1.21081, "FDA_Category_D_and_X_Top_Rank": -0.0958997, "Placenta_Crossing_L1000_Similarity": -1.19061, "Placenta_Crossing_Structural_Similarity": -1.06957, "Placenta_Crossing_Weighted_Contribution": -1.26592, "Placenta_Crossing_Top_Rank": -0.092032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6610303": { "type": "Drug", "properties": { "id": "CID:6610303", "label": "u-74389f", "lsm": "LSM-1946", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610303", "FDA_Category_D_L1000_Similarity": -0.484074, "FDA_Category_D_Structural_Similarity": -0.121455, "FDA_Category_D_Weighted_Contribution": -0.462523, "FDA_Category_D_Top_Rank": -0.0880558, "FDA_Category_X_L1000_Similarity": 1.1228, "FDA_Category_X_Structural_Similarity": 2.20208, "FDA_Category_X_Weighted_Contribution": 2.82733, "FDA_Category_X_Top_Rank": 0.0667557, "FDA_Category_D_and_X_L1000_Similarity": -0.0763057, "FDA_Category_D_and_X_Structural_Similarity": 1.09184, "FDA_Category_D_and_X_Weighted_Contribution": 0.90879, "FDA_Category_D_and_X_Top_Rank": -0.0468607, "Placenta_Crossing_L1000_Similarity": -0.270264, "Placenta_Crossing_Structural_Similarity": 0.601426, "Placenta_Crossing_Weighted_Contribution": 0.307285, "Placenta_Crossing_Top_Rank": -0.0665492, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC=C3C(C1CCC2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=CC83C", "InChI_key": "LBGLGTAQLROFTM-PAHCNOFYSA-N" } }, "CID:6610337": { "type": "Drug", "properties": { "id": "CID:6610337", "label": "dibutyrylcyclic-gmp", "lsm": "LSM-1278", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610337", "FDA_Category_D_L1000_Similarity": 1.63298, "FDA_Category_D_Structural_Similarity": 0.491856, "FDA_Category_D_Weighted_Contribution": 1.39031, "FDA_Category_D_Top_Rank": 0.0233522, "FDA_Category_X_L1000_Similarity": 0.38763, "FDA_Category_X_Structural_Similarity": 1.50533, "FDA_Category_X_Weighted_Contribution": 1.72624, "FDA_Category_X_Top_Rank": -0.00838788, "FDA_Category_D_and_X_L1000_Similarity": 1.52538, "FDA_Category_D_and_X_Structural_Similarity": 1.20266, "FDA_Category_D_and_X_Weighted_Contribution": 1.97279, "FDA_Category_D_and_X_Top_Rank": -0.0201883, "Placenta_Crossing_L1000_Similarity": 1.36294, "Placenta_Crossing_Structural_Similarity": 0.774344, "Placenta_Crossing_Weighted_Contribution": 1.36641, "Placenta_Crossing_Top_Rank": -0.0514854, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC", "InChI_key": "SWTMOFFYOXKQNN-UVQKOMKVSA-N" } }, "CID:6613": { "type": "Drug", "properties": { "id": "CID:6613", "label": "pantothenic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6613", "FDA_Category_D_L1000_Similarity": -0.374412, "FDA_Category_X_L1000_Similarity": -0.0338149, "FDA_Category_D_and_X_L1000_Similarity": -0.333019, "Placenta_Crossing_L1000_Similarity": -0.0447912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CO)C(C(=O)NCCC(=O)O)O", "InChI_key": "GHOKWGTUZJEAQD-ZETCQYMHSA-N" } }, "CID:6623": { "type": "Drug", "properties": { "id": "CID:6623", "label": "4,4'-propane-2,2-diyldiphenol", "lsm": "LSM-1345", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6623", "FDA_Category_D_L1000_Similarity": -1.22795, "FDA_Category_D_Structural_Similarity": -0.268815, "FDA_Category_D_Weighted_Contribution": -0.886258, "FDA_Category_D_Top_Rank": -0.0908142, "FDA_Category_X_L1000_Similarity": -2.15533, "FDA_Category_X_Structural_Similarity": -0.288727, "FDA_Category_X_Weighted_Contribution": -1.15547, "FDA_Category_X_Top_Rank": -0.086307, "FDA_Category_D_and_X_L1000_Similarity": -1.71304, "FDA_Category_D_and_X_Structural_Similarity": -0.369158, "FDA_Category_D_and_X_Weighted_Contribution": -1.08483, "FDA_Category_D_and_X_Top_Rank": -0.0926109, "Placenta_Crossing_L1000_Similarity": -2.24319, "Placenta_Crossing_Structural_Similarity": -0.0918592, "Placenta_Crossing_Weighted_Contribution": -1.03836, "Placenta_Crossing_Top_Rank": -0.0840277, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O", "InChI_key": "IISBACLAFKSPIT-UHFFFAOYSA-N" } }, "CID:6634": { "type": "Drug", "properties": { "id": "CID:6634", "label": "sulfachlorpyridazine", "lsm": "LSM-5456", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6634", "FDA_Category_D_L1000_Similarity": -0.414709, "FDA_Category_D_Structural_Similarity": -0.500732, "FDA_Category_D_Weighted_Contribution": -0.720229, "FDA_Category_D_Top_Rank": -0.0941155, "FDA_Category_X_L1000_Similarity": 0.917528, "FDA_Category_X_Structural_Similarity": -0.409571, "FDA_Category_X_Weighted_Contribution": -0.0748594, "FDA_Category_X_Top_Rank": -0.0738973, "FDA_Category_D_and_X_L1000_Similarity": -0.0788423, "FDA_Category_D_and_X_Structural_Similarity": -0.618441, "FDA_Category_D_and_X_Weighted_Contribution": -0.667117, "FDA_Category_D_and_X_Top_Rank": -0.0928299, "Placenta_Crossing_L1000_Similarity": 0.30662, "Placenta_Crossing_Structural_Similarity": 0.118349, "Placenta_Crossing_Weighted_Contribution": 0.120468, "Placenta_Crossing_Top_Rank": -0.0796027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl", "InChI_key": "XOXHILFPRYWFOD-UHFFFAOYSA-N" } }, "CID:667550": { "type": "Drug", "properties": { "id": "CID:667550", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID667550", "label": "dexketoprofen", "FDA_Category_D_L1000_Similarity": -0.879207, "FDA_Category_D_Structural_Similarity": -0.207788, "FDA_Category_D_Weighted_Contribution": -0.705223, "FDA_Category_D_Top_Rank": -0.0896771, "FDA_Category_X_L1000_Similarity": 0.232713, "FDA_Category_X_Structural_Similarity": 0.177459, "FDA_Category_X_Weighted_Contribution": 0.167232, "FDA_Category_X_Top_Rank": -0.0740881, "FDA_Category_D_and_X_L1000_Similarity": -0.687215, "FDA_Category_D_and_X_Structural_Similarity": -0.0691681, "FDA_Category_D_and_X_Weighted_Contribution": -0.511979, "FDA_Category_D_and_X_Top_Rank": -0.0876906, "Placenta_Crossing_L1000_Similarity": -0.852885, "Placenta_Crossing_Structural_Similarity": -0.515473, "Placenta_Crossing_Weighted_Contribution": -0.867687, "Placenta_Crossing_Top_Rank": -0.0898349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O", "InChI_key": "DKYWVDODHFEZIM-NSHDSACASA-N" } }, "CID:667601": { "type": "Drug", "properties": { "id": "CID:667601", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID667601", "label": "tyrphostin-47", "FDA_Category_D_L1000_Similarity": -0.197958, "FDA_Category_D_Structural_Similarity": -0.461573, "FDA_Category_D_Weighted_Contribution": -0.597841, "FDA_Category_D_Top_Rank": -0.0936667, "FDA_Category_X_L1000_Similarity": 0.430356, "FDA_Category_X_Structural_Similarity": 0.289324, "FDA_Category_X_Weighted_Contribution": 0.386729, "FDA_Category_X_Top_Rank": -0.0701562, "FDA_Category_D_and_X_L1000_Similarity": -0.0399485, "FDA_Category_D_and_X_Structural_Similarity": -0.210239, "FDA_Category_D_and_X_Weighted_Contribution": -0.333875, "FDA_Category_D_and_X_Top_Rank": -0.090407, "Placenta_Crossing_L1000_Similarity": -0.608884, "Placenta_Crossing_Structural_Similarity": -0.645533, "Placenta_Crossing_Weighted_Contribution": -0.871722, "Placenta_Crossing_Top_Rank": -0.090882, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=C(C#N)C(=S)N)O)O", "InChI_key": "ZGHQGWOETPXKLY-XVNBXDOJSA-N" } }, "CID:6708518": { "type": "Drug", "properties": { "id": "CID:6708518", "label": "ambelline", "lsm": "LSM-1309", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708518", "FDA_Category_D_L1000_Similarity": 0.396485, "FDA_Category_D_Structural_Similarity": 0.00501659, "FDA_Category_D_Weighted_Contribution": 0.110185, "FDA_Category_D_Top_Rank": -0.0851078, "FDA_Category_X_L1000_Similarity": 0.00397269, "FDA_Category_X_Structural_Similarity": -0.541894, "FDA_Category_X_Weighted_Contribution": -0.594248, "FDA_Category_X_Top_Rank": -0.0875736, "FDA_Category_D_and_X_L1000_Similarity": 0.342991, "FDA_Category_D_and_X_Structural_Similarity": -0.288422, "FDA_Category_D_and_X_Weighted_Contribution": -0.21785, "FDA_Category_D_and_X_Top_Rank": -0.088343, "Placenta_Crossing_L1000_Similarity": 0.581473, "Placenta_Crossing_Structural_Similarity": -0.738728, "Placenta_Crossing_Weighted_Contribution": -0.508017, "Placenta_Crossing_Top_Rank": -0.0813996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1CC2C3(C=C1)C(CN2CC4=C(C5=C(C=C34)OCO5)OC)O", "InChI_key": "QAHZAHIPKNLGAS-UVJOJOKMSA-N" } }, "CID:6708532": { "type": "Drug", "properties": { "id": "CID:6708532", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6708532", "label": "methyl-angolensate", "FDA_Category_D_L1000_Similarity": -0.909877, "FDA_Category_X_L1000_Similarity": 0.484573, "FDA_Category_D_and_X_L1000_Similarity": -0.637171, "Placenta_Crossing_L1000_Similarity": 0.0317028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)CC(=O)OC)C", "InChI_key": "YNMYHRYTRCKSMI-RPKVDDIGSA-N" } }, "CID:6708558": { "type": "Drug", "properties": { "id": "CID:6708558", "label": "haematoxylin-pentaacetate", "lsm": "LSM-1368", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708558", "FDA_Category_D_L1000_Similarity": -0.01415, "FDA_Category_X_L1000_Similarity": -0.713224, "FDA_Category_D_and_X_L1000_Similarity": -0.228799, "Placenta_Crossing_L1000_Similarity": 0.284972, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=C(C2=C(C=C1)C3C4=CC(=C(C(=C4CC3(CO2)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C", "InChI_key": "JXUGSXOSZMZDGF-UHFFFAOYSA-N" } }, "CID:6708573": { "type": "Drug", "properties": { "id": "CID:6708573", "label": "oleanolic-acid", "lsm": "LSM-1527", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708573", "FDA_Category_D_L1000_Similarity": 0.435547, "FDA_Category_D_Structural_Similarity": -0.702216, "FDA_Category_D_Weighted_Contribution": -0.496411, "FDA_Category_D_Top_Rank": -0.0865256, "FDA_Category_X_L1000_Similarity": 0.33453, "FDA_Category_X_Structural_Similarity": 0.206766, "FDA_Category_X_Weighted_Contribution": 0.249735, "FDA_Category_X_Top_Rank": -0.0730569, "FDA_Category_D_and_X_L1000_Similarity": 0.477041, "FDA_Category_D_and_X_Structural_Similarity": -0.445788, "FDA_Category_D_and_X_Weighted_Contribution": -0.288322, "FDA_Category_D_and_X_Top_Rank": -0.0861205, "Placenta_Crossing_L1000_Similarity": -0.448847, "Placenta_Crossing_Structural_Similarity": -0.67237, "Placenta_Crossing_Weighted_Contribution": -0.836427, "Placenta_Crossing_Top_Rank": -0.0906203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C", "InChI_key": "RIXNFYQZWDGQAE-JMGFFJFSSA-N" } }, "CID:6708582": { "type": "Drug", "properties": { "id": "CID:6708582", "label": "deoxyandirobin", "lsm": "LSM-1661", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708582", "FDA_Category_D_L1000_Similarity": 0.0991204, "FDA_Category_D_Structural_Similarity": 0.874504, "FDA_Category_D_Weighted_Contribution": 0.827849, "FDA_Category_D_Top_Rank": -0.0574485, "FDA_Category_X_L1000_Similarity": 2.75958, "FDA_Category_X_Structural_Similarity": 2.13868, "FDA_Category_X_Weighted_Contribution": 3.43657, "FDA_Category_X_Top_Rank": 0.332133, "FDA_Category_D_and_X_L1000_Similarity": 0.923473, "FDA_Category_D_and_X_Structural_Similarity": 1.84813, "FDA_Category_D_and_X_Weighted_Contribution": 2.2748, "FDA_Category_D_and_X_Top_Rank": 0.0193841, "Placenta_Crossing_L1000_Similarity": 0.578431, "Placenta_Crossing_Structural_Similarity": -0.182546, "Placenta_Crossing_Weighted_Contribution": -0.033378, "Placenta_Crossing_Top_Rank": -0.0814838, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2CC(=O)OC3(C(C2(C=CC1O)C)CCC4(C3=CC(=O)OC4C5=COC=C5)C)C)C", "InChI_key": "NCNXULVCMORARX-NYMFISLZSA-N" } }, "CID:6708703": { "type": "Drug", "properties": { "id": "CID:6708703", "label": "deoxyrhapontin", "lsm": "LSM-2307", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708703", "FDA_Category_D_L1000_Similarity": 1.22792, "FDA_Category_X_L1000_Similarity": -0.870747, "FDA_Category_D_and_X_L1000_Similarity": 0.794054, "Placenta_Crossing_L1000_Similarity": 1.01002, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O", "InChI_key": "MFMQRDLLSRLUJY-YMQHIKHWSA-N" } }, "CID:6708725": { "type": "Drug", "properties": { "id": "CID:6708725", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6708725", "label": "gedunin", "FDA_Category_D_L1000_Similarity": 0.338901, "FDA_Category_D_Structural_Similarity": 0.17456, "FDA_Category_D_Weighted_Contribution": 0.243847, "FDA_Category_D_Top_Rank": -0.0806654, "FDA_Category_X_L1000_Similarity": 1.73276, "FDA_Category_X_Structural_Similarity": 3.52576, "FDA_Category_X_Weighted_Contribution": 3.93987, "FDA_Category_X_Top_Rank": 0.353638, "FDA_Category_D_and_X_L1000_Similarity": 0.818345, "FDA_Category_D_and_X_Structural_Similarity": 2.04104, "FDA_Category_D_and_X_Weighted_Contribution": 2.40012, "FDA_Category_D_and_X_Top_Rank": 0.0397886, "Placenta_Crossing_L1000_Similarity": -0.0429746, "Placenta_Crossing_Structural_Similarity": 0.645112, "Placenta_Crossing_Weighted_Contribution": 0.468384, "Placenta_Crossing_Top_Rank": -0.0649221, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C=CC(=O)C2(C1CC(=O)C3(C2CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C)C", "InChI_key": "VOKBOMKQXKLQSI-UMZYLEKASA-N" } }, "CID:670967": { "type": "Drug", "properties": { "id": "CID:670967", "label": "st-019365", "lsm": "LSM-4719", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/670967", "FDA_Category_D_L1000_Similarity": -1.00815, "FDA_Category_X_L1000_Similarity": 0.603999, "FDA_Category_D_and_X_L1000_Similarity": -0.685614, "Placenta_Crossing_L1000_Similarity": -0.57047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(NCC2=CC=CC=C12)NC(=S)NC(=O)C3=CC=CC=C3", "InChI_key": "PUBJFPLMXBDARU-UHFFFAOYSA-N" } }, "CID:6710659": { "type": "Drug", "properties": { "id": "CID:6710659", "label": "fludrocortisone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710659", "FDA_Category_D_L1000_Similarity": -0.62297, "FDA_Category_D_Structural_Similarity": -0.186228, "FDA_Category_D_Weighted_Contribution": -0.577627, "FDA_Category_D_Top_Rank": -0.0892175, "FDA_Category_X_L1000_Similarity": 0.464721, "FDA_Category_X_Structural_Similarity": 3.19832, "FDA_Category_X_Weighted_Contribution": 3.37361, "FDA_Category_X_Top_Rank": 0.260925, "FDA_Category_D_and_X_L1000_Similarity": -0.395879, "FDA_Category_D_and_X_Structural_Similarity": 1.57799, "FDA_Category_D_and_X_Weighted_Contribution": 1.23701, "FDA_Category_D_and_X_Top_Rank": -0.00782194, "Placenta_Crossing_L1000_Similarity": 0.621195, "Placenta_Crossing_Structural_Similarity": 2.62405, "Placenta_Crossing_Weighted_Contribution": 2.80718, "Placenta_Crossing_Top_Rank": 0.109934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)O", "InChI_key": "SYWHXTATXSMDSB-JORUCDAYSA-N" } }, "CID:6714003": { "type": "Drug", "properties": { "id": "CID:6714003", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6714003", "label": "cyproterone", "FDA_Category_D_L1000_Similarity": -0.240673, "FDA_Category_D_Structural_Similarity": 0.489026, "FDA_Category_D_Weighted_Contribution": 0.219036, "FDA_Category_D_Top_Rank": -0.0714233, "FDA_Category_X_L1000_Similarity": 1.37033, "FDA_Category_X_Structural_Similarity": 1.98411, "FDA_Category_X_Weighted_Contribution": 2.74017, "FDA_Category_X_Top_Rank": 0.0399316, "FDA_Category_D_and_X_L1000_Similarity": 0.208673, "FDA_Category_D_and_X_Structural_Similarity": 1.45876, "FDA_Category_D_and_X_Weighted_Contribution": 1.47164, "FDA_Category_D_and_X_Top_Rank": -0.0192207, "Placenta_Crossing_L1000_Similarity": 0.562383, "Placenta_Crossing_Structural_Similarity": 2.12417, "Placenta_Crossing_Weighted_Contribution": 2.33751, "Placenta_Crossing_Top_Rank": 0.0449219, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C", "InChI_key": "UWFYSQMTEOIJJG-NKGGGRBPSA-N" } }, "CID:6736": { "type": "Drug", "properties": { "id": "CID:6736", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6736", "label": "skatole", "FDA_Category_D_L1000_Similarity": 0.852504, "FDA_Category_D_Structural_Similarity": -0.249899, "FDA_Category_D_Weighted_Contribution": 0.121957, "FDA_Category_D_Top_Rank": -0.0737137, "FDA_Category_X_L1000_Similarity": -1.06208, "FDA_Category_X_Structural_Similarity": 0.170096, "FDA_Category_X_Weighted_Contribution": -0.44723, "FDA_Category_X_Top_Rank": -0.07442, "FDA_Category_D_and_X_L1000_Similarity": 0.412339, "FDA_Category_D_and_X_Structural_Similarity": -0.106565, "FDA_Category_D_and_X_Weighted_Contribution": -0.0203975, "FDA_Category_D_and_X_Top_Rank": -0.0872818, "Placenta_Crossing_L1000_Similarity": -0.5409, "Placenta_Crossing_Structural_Similarity": -0.79453, "Placenta_Crossing_Weighted_Contribution": -0.943462, "Placenta_Crossing_Top_Rank": -0.0909065, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CNC2=CC=CC=C12", "InChI_key": "ZFRKQXVRDFCRJG-UHFFFAOYSA-N" } }, "CID:67361": { "type": "Drug", "properties": { "id": "CID:67361", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID67361", "label": "ethylmercurithiosalicylic acid", "FDA_Category_D_L1000_Similarity": -1.9095, "FDA_Category_D_Structural_Similarity": 0.267875, "FDA_Category_D_Weighted_Contribution": -0.794798, "FDA_Category_D_Top_Rank": -0.0780776, "FDA_Category_X_L1000_Similarity": 1.08703, "FDA_Category_X_Structural_Similarity": 2.37753, "FDA_Category_X_Weighted_Contribution": 2.96785, "FDA_Category_X_Top_Rank": 0.0908606, "FDA_Category_D_and_X_L1000_Similarity": -1.31591, "FDA_Category_D_and_X_Structural_Similarity": 1.49552, "FDA_Category_D_and_X_Weighted_Contribution": 0.602686, "FDA_Category_D_and_X_Top_Rank": -0.0153815, "Placenta_Crossing_L1000_Similarity": -1.08177, "Placenta_Crossing_Structural_Similarity": 1.8473, "Placenta_Crossing_Weighted_Contribution": 1.18567, "Placenta_Crossing_Top_Rank": 0.0159097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[Hg]SC1=CC=CC=C1C(=O)O", "InChI_key": "HXQVQGWHFRNKMS-UHFFFAOYSA-M" } }, "CID:674282": { "type": "Drug", "properties": { "id": "CID:674282", "label": "st-001903", "lsm": "LSM-4662", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/674282", "FDA_Category_D_L1000_Similarity": 0.209956, "FDA_Category_X_L1000_Similarity": 0.544717, "FDA_Category_D_and_X_L1000_Similarity": 0.346405, "Placenta_Crossing_L1000_Similarity": 0.359988, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3", "InChI_key": "LZSQQWLNWAMWTO-UHFFFAOYSA-N" } }, "CID:67475270": { "type": "Drug", "properties": { "id": "CID:67475270", "label": "LY-3000328", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67475270", "FDA_Category_D_L1000_Similarity": 0.0716922, "FDA_Category_D_Structural_Similarity": -0.380921, "FDA_Category_D_Weighted_Contribution": -0.408613, "FDA_Category_D_Top_Rank": -0.0915566, "FDA_Category_X_L1000_Similarity": 1.56803, "FDA_Category_X_Structural_Similarity": 0.522805, "FDA_Category_X_Weighted_Contribution": 1.28127, "FDA_Category_X_Top_Rank": -0.0423798, "FDA_Category_D_and_X_L1000_Similarity": 0.537981, "FDA_Category_D_and_X_Structural_Similarity": -0.0202386, "FDA_Category_D_and_X_Weighted_Contribution": 0.126673, "FDA_Category_D_and_X_Top_Rank": -0.0849243, "Placenta_Crossing_L1000_Similarity": 0.561738, "Placenta_Crossing_Structural_Similarity": 0.770534, "Placenta_Crossing_Weighted_Contribution": 0.923573, "Placenta_Crossing_Top_Rank": -0.0606187, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:675434": { "type": "Drug", "properties": { "id": "CID:675434", "label": "IU1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/675434", "FDA_Category_D_L1000_Similarity": 0.216301, "FDA_Category_X_L1000_Similarity": 1.25798, "FDA_Category_D_and_X_L1000_Similarity": 0.568467, "Placenta_Crossing_L1000_Similarity": 0.534903, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6760": { "type": "Drug", "properties": { "id": "CID:6760", "label": "skimmianine", "lsm": "LSM-2560", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6760", "FDA_Category_D_L1000_Similarity": 0.43547, "FDA_Category_D_Structural_Similarity": 1.07286, "FDA_Category_D_Weighted_Contribution": 1.25878, "FDA_Category_D_Top_Rank": -0.0469441, "FDA_Category_X_L1000_Similarity": 1.23695, "FDA_Category_X_Structural_Similarity": -0.0987284, "FDA_Category_X_Weighted_Contribution": 0.403293, "FDA_Category_X_Top_Rank": -0.0625648, "FDA_Category_D_and_X_L1000_Similarity": 0.751027, "FDA_Category_D_and_X_Structural_Similarity": 0.798273, "FDA_Category_D_and_X_Weighted_Contribution": 1.09048, "FDA_Category_D_and_X_Top_Rank": -0.0633347, "Placenta_Crossing_L1000_Similarity": 1.50911, "Placenta_Crossing_Structural_Similarity": -0.562491, "Placenta_Crossing_Weighted_Contribution": 0.0529106, "Placenta_Crossing_Top_Rank": -0.0390185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC", "InChI_key": "SLSIBLKBHNKZTB-UHFFFAOYSA-N" } }, "CID:676352": { "type": "Drug", "properties": { "id": "CID:676352", "label": "DBeQ", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/676352", "FDA_Category_D_L1000_Similarity": -0.566603, "FDA_Category_D_Structural_Similarity": -0.541104, "FDA_Category_D_Weighted_Contribution": -0.81018, "FDA_Category_D_Top_Rank": -0.0945519, "FDA_Category_X_L1000_Similarity": -1.00924, "FDA_Category_X_Structural_Similarity": -0.492165, "FDA_Category_X_Weighted_Contribution": -0.928561, "FDA_Category_X_Top_Rank": -0.0896763, "FDA_Category_D_and_X_L1000_Similarity": -0.794911, "FDA_Category_D_and_X_Structural_Similarity": -0.695051, "FDA_Category_D_and_X_Weighted_Contribution": -0.97855, "FDA_Category_D_and_X_Top_Rank": -0.0953954, "Placenta_Crossing_L1000_Similarity": -1.08735, "Placenta_Crossing_Structural_Similarity": -0.673854, "Placenta_Crossing_Weighted_Contribution": -1.03587, "Placenta_Crossing_Top_Rank": -0.0910793, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:680501": { "type": "Drug", "properties": { "id": "CID:680501", "label": "amg-9810", "lsm": "LSM-2953", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/680501", "FDA_Category_D_L1000_Similarity": -0.744723, "FDA_Category_D_Structural_Similarity": 1.59406, "FDA_Category_D_Weighted_Contribution": 1.07285, "FDA_Category_D_Top_Rank": -0.0067832, "FDA_Category_X_L1000_Similarity": -0.439153, "FDA_Category_X_Structural_Similarity": -0.123689, "FDA_Category_X_Weighted_Contribution": -0.431958, "FDA_Category_X_Top_Rank": -0.0828618, "FDA_Category_D_and_X_L1000_Similarity": -0.775326, "FDA_Category_D_and_X_Structural_Similarity": 1.19849, "FDA_Category_D_and_X_Weighted_Contribution": 0.608902, "FDA_Category_D_and_X_Top_Rank": -0.0395974, "Placenta_Crossing_L1000_Similarity": -1.01776, "Placenta_Crossing_Structural_Similarity": -0.791399, "Placenta_Crossing_Weighted_Contribution": -1.08185, "Placenta_Crossing_Top_Rank": -0.0917057, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3", "InChI_key": "GZTFUVZVLYUPRG-UHFFFAOYSA-N" } }, "CID:68077": { "type": "Drug", "properties": { "id": "CID:68077", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68077", "label": "tangeritin", "FDA_Category_D_L1000_Similarity": 0.00766718, "FDA_Category_D_Structural_Similarity": 0.637606, "FDA_Category_D_Weighted_Contribution": 0.518971, "FDA_Category_D_Top_Rank": -0.0662269, "FDA_Category_X_L1000_Similarity": 0.19675, "FDA_Category_X_Structural_Similarity": 0.420836, "FDA_Category_X_Weighted_Contribution": 0.402275, "FDA_Category_X_Top_Rank": -0.0649576, "FDA_Category_D_and_X_L1000_Similarity": 0.0663573, "FDA_Category_D_and_X_Structural_Similarity": 0.733157, "FDA_Category_D_and_X_Weighted_Contribution": 0.615633, "FDA_Category_D_and_X_Top_Rank": -0.0662364, "Placenta_Crossing_L1000_Similarity": 0.61409, "Placenta_Crossing_Structural_Similarity": -0.730034, "Placenta_Crossing_Weighted_Contribution": -0.488178, "Placenta_Crossing_Top_Rank": -0.0807627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC", "InChI_key": "ULSUXBXHSYSGDT-UHFFFAOYSA-N" } }, "CID:6843": { "type": "Drug", "properties": { "id": "CID:6843", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6843", "label": "propoxycaine", "FDA_Category_D_L1000_Similarity": 1.91887, "FDA_Category_D_Structural_Similarity": -0.749347, "FDA_Category_D_Weighted_Contribution": 0.245146, "FDA_Category_D_Top_Rank": 0.131251, "FDA_Category_X_L1000_Similarity": 0.962041, "FDA_Category_X_Structural_Similarity": -0.495923, "FDA_Category_X_Weighted_Contribution": -0.135908, "FDA_Category_X_Top_Rank": -0.072531, "FDA_Category_D_and_X_L1000_Similarity": 1.94626, "FDA_Category_D_and_X_Structural_Similarity": -0.862364, "FDA_Category_D_and_X_Weighted_Contribution": 0.0766405, "FDA_Category_D_and_X_Top_Rank": 0.0763892, "Placenta_Crossing_L1000_Similarity": 1.47954, "Placenta_Crossing_Structural_Similarity": -0.186622, "Placenta_Crossing_Weighted_Contribution": 0.407752, "Placenta_Crossing_Top_Rank": -0.0418044, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC", "InChI_key": "CAJIGINSTLKQMM-UHFFFAOYSA-N" } }, "CID:6852167": { "type": "Drug", "properties": { "id": "CID:6852167", "label": "n-(5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide", "lsm": "LSM-1191", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6852167", "FDA_Category_D_L1000_Similarity": -0.712653, "FDA_Category_D_Structural_Similarity": 0.385139, "FDA_Category_D_Weighted_Contribution": -0.142709, "FDA_Category_D_Top_Rank": -0.0748022, "FDA_Category_X_L1000_Similarity": 0.0930726, "FDA_Category_X_Structural_Similarity": 0.486422, "FDA_Category_X_Weighted_Contribution": 0.416889, "FDA_Category_X_Top_Rank": -0.062611, "FDA_Category_D_and_X_L1000_Similarity": -0.586061, "FDA_Category_D_and_X_Structural_Similarity": 0.568161, "FDA_Category_D_and_X_Weighted_Contribution": 0.0870259, "FDA_Category_D_and_X_Top_Rank": -0.0719557, "Placenta_Crossing_L1000_Similarity": -0.325486, "Placenta_Crossing_Structural_Similarity": 0.583041, "Placenta_Crossing_Weighted_Contribution": 0.26111, "Placenta_Crossing_Top_Rank": -0.0672066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO", "InChI_key": "JFVNFXCESCXMBC-UHFFFAOYSA-N" } }, "CID:6855": { "type": "Drug", "properties": { "id": "CID:6855", "label": "benzoxiquine", "lsm": "LSM-3570", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6855", "FDA_Category_D_L1000_Similarity": 0.150986, "FDA_Category_D_Structural_Similarity": 0.585005, "FDA_Category_D_Weighted_Contribution": 0.55177, "FDA_Category_D_Top_Rank": -0.0678591, "FDA_Category_X_L1000_Similarity": 0.813868, "FDA_Category_X_Structural_Similarity": -0.719787, "FDA_Category_X_Weighted_Contribution": -0.405407, "FDA_Category_X_Top_Rank": -0.0765584, "FDA_Category_D_and_X_L1000_Similarity": 0.377302, "FDA_Category_D_and_X_Structural_Similarity": 0.075932, "FDA_Category_D_and_X_Weighted_Contribution": 0.132503, "FDA_Category_D_and_X_Top_Rank": -0.0846692, "Placenta_Crossing_L1000_Similarity": -0.227242, "Placenta_Crossing_Structural_Similarity": -0.898385, "Placenta_Crossing_Weighted_Contribution": -0.90928, "Placenta_Crossing_Top_Rank": -0.0897161, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3", "InChI_key": "BHKPHCKISVSDGV-UHFFFAOYSA-N" } }, "CID:6857": { "type": "Drug", "properties": { "id": "CID:6857", "label": "quinisocaine", "lsm": "LSM-3647", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6857", "FDA_Category_D_L1000_Similarity": 0.583409, "FDA_Category_D_Structural_Similarity": 1.76062, "FDA_Category_D_Weighted_Contribution": 2.08629, "FDA_Category_D_Top_Rank": 0.0145398, "FDA_Category_X_L1000_Similarity": -0.47006, "FDA_Category_X_Structural_Similarity": 3.46441, "FDA_Category_X_Weighted_Contribution": 3.22197, "FDA_Category_X_Top_Rank": 0.325413, "FDA_Category_D_and_X_L1000_Similarity": 0.360154, "FDA_Category_D_and_X_Structural_Similarity": 3.26681, "FDA_Category_D_and_X_Weighted_Contribution": 3.17209, "FDA_Category_D_and_X_Top_Rank": 0.284919, "Placenta_Crossing_L1000_Similarity": 0.912563, "Placenta_Crossing_Structural_Similarity": 0.721235, "Placenta_Crossing_Weighted_Contribution": 1.06212, "Placenta_Crossing_Top_Rank": -0.0623235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C", "InChI_key": "XNMYNYSCEJBRPZ-UHFFFAOYSA-N" } }, "CID:68740": { "type": "Drug", "properties": { "id": "CID:68740", "label": "zoledronic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68740", "FDA_Category_D_L1000_Similarity": -0.523067, "FDA_Category_D_Structural_Similarity": 0.381697, "FDA_Category_D_Weighted_Contribution": -0.0437685, "FDA_Category_D_Top_Rank": -0.0749136, "FDA_Category_X_L1000_Similarity": 0.154769, "FDA_Category_X_Structural_Similarity": -0.560115, "FDA_Category_X_Weighted_Contribution": -0.548116, "FDA_Category_X_Top_Rank": -0.0863842, "FDA_Category_D_and_X_L1000_Similarity": -0.403888, "FDA_Category_D_and_X_Structural_Similarity": 0.000722164, "FDA_Category_D_and_X_Weighted_Contribution": -0.328084, "FDA_Category_D_and_X_Top_Rank": -0.0863225, "Placenta_Crossing_L1000_Similarity": -0.187675, "Placenta_Crossing_Structural_Similarity": -0.846125, "Placenta_Crossing_Weighted_Contribution": -0.863295, "Placenta_Crossing_Top_Rank": -0.0895229, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "XRASPMIURGNCCH-UHFFFAOYSA-N" } }, "CID:68791": { "type": "Drug", "properties": { "id": "CID:68791", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68791", "label": "imexon", "FDA_Category_D_L1000_Similarity": 0.574061, "FDA_Category_D_Structural_Similarity": -0.927014, "FDA_Category_D_Weighted_Contribution": -0.60797, "FDA_Category_D_Top_Rank": -0.0833372, "FDA_Category_X_L1000_Similarity": 0.576596, "FDA_Category_X_Structural_Similarity": -0.742261, "FDA_Category_X_Weighted_Contribution": -0.524432, "FDA_Category_X_Top_Rank": -0.0813481, "FDA_Category_D_and_X_L1000_Similarity": 0.669953, "FDA_Category_D_and_X_Structural_Similarity": -1.1363, "FDA_Category_D_and_X_Weighted_Contribution": -0.736099, "FDA_Category_D_and_X_Top_Rank": -0.0819489, "Placenta_Crossing_L1000_Similarity": 0.688794, "Placenta_Crossing_Structural_Similarity": -1.05863, "Placenta_Crossing_Weighted_Contribution": -0.706051, "Placenta_Crossing_Top_Rank": -0.0791519, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2N1C(=O)N=C2N", "InChI_key": "BIXBBIPTYBJTRY-UHFFFAOYSA-N" } }, "CID:68801": { "type": "Drug", "properties": { "id": "CID:68801", "label": "piketoprofen", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68801", "FDA_Category_D_L1000_Similarity": 0.154729, "FDA_Category_D_Structural_Similarity": -0.736344, "FDA_Category_D_Weighted_Contribution": -0.649064, "FDA_Category_D_Top_Rank": -0.0907103, "FDA_Category_X_L1000_Similarity": 0.871843, "FDA_Category_X_Structural_Similarity": -0.522324, "FDA_Category_X_Weighted_Contribution": -0.2028, "FDA_Category_X_Top_Rank": -0.0751724, "FDA_Category_D_and_X_L1000_Similarity": 0.398139, "FDA_Category_D_and_X_Structural_Similarity": -0.86629, "FDA_Category_D_and_X_Weighted_Contribution": -0.653071, "FDA_Category_D_and_X_Top_Rank": -0.0874699, "Placenta_Crossing_L1000_Similarity": 0.767481, "Placenta_Crossing_Structural_Similarity": -0.872067, "Placenta_Crossing_Weighted_Contribution": -0.538309, "Placenta_Crossing_Top_Rank": -0.0772569, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6883": { "type": "Drug", "properties": { "id": "CID:6883", "label": "isosorbide dinitrate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6883", "FDA_Category_D_L1000_Similarity": -0.638039, "FDA_Category_D_Structural_Similarity": -0.274667, "FDA_Category_D_Weighted_Contribution": -0.650957, "FDA_Category_D_Top_Rank": -0.0909604, "FDA_Category_X_L1000_Similarity": -0.174917, "FDA_Category_X_Structural_Similarity": 2.08959, "FDA_Category_X_Weighted_Contribution": 2.06093, "FDA_Category_X_Top_Rank": 0.0517401, "FDA_Category_D_and_X_L1000_Similarity": -0.603113, "FDA_Category_D_and_X_Structural_Similarity": 0.909527, "FDA_Category_D_and_X_Weighted_Contribution": 0.411942, "FDA_Category_D_and_X_Top_Rank": -0.0576172, "Placenta_Crossing_L1000_Similarity": -0.455684, "Placenta_Crossing_Structural_Similarity": -1.07511, "Placenta_Crossing_Weighted_Contribution": -1.08106, "Placenta_Crossing_Top_Rank": -0.0906455, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]", "InChI_key": "MOYKHGMNXAOIAT-JGWLITMVSA-N" } }, "CID:688800": { "type": "Drug", "properties": { "id": "CID:688800", "label": "ST-057710", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/688800", "FDA_Category_D_L1000_Similarity": -0.12834, "FDA_Category_X_L1000_Similarity": 0.177788, "FDA_Category_D_and_X_L1000_Similarity": -0.0566455, "Placenta_Crossing_L1000_Similarity": -0.307686, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6918140": { "type": "Drug", "properties": { "id": "CID:6918140", "label": "treprostinil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918140", "FDA_Category_D_L1000_Similarity": -1.15074, "FDA_Category_D_Structural_Similarity": -0.869947, "FDA_Category_D_Weighted_Contribution": -1.20406, "FDA_Category_D_Top_Rank": -0.0964815, "FDA_Category_X_L1000_Similarity": 0.594641, "FDA_Category_X_Structural_Similarity": -0.544906, "FDA_Category_X_Weighted_Contribution": -0.348556, "FDA_Category_X_Top_Rank": -0.0810685, "FDA_Category_D_and_X_L1000_Similarity": -0.811375, "FDA_Category_D_and_X_Structural_Similarity": -0.984518, "FDA_Category_D_and_X_Weighted_Contribution": -1.14254, "FDA_Category_D_and_X_Top_Rank": -0.0959227, "Placenta_Crossing_L1000_Similarity": -1.01391, "Placenta_Crossing_Structural_Similarity": -0.96009, "Placenta_Crossing_Weighted_Contribution": -1.1698, "Placenta_Crossing_Top_Rank": -0.0918335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O", "InChI_key": "PAJMKGZZBBTTOY-ZFORQUDYSA-N" } }, "CID:6918554": { "type": "Drug", "properties": { "id": "CID:6918554", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918554", "label": "indacaterol", "FDA_Category_D_L1000_Similarity": -0.433706, "FDA_Category_D_Structural_Similarity": -0.665338, "FDA_Category_D_Weighted_Contribution": -0.841328, "FDA_Category_D_Top_Rank": -0.0948609, "FDA_Category_X_L1000_Similarity": 0.0732575, "FDA_Category_X_Structural_Similarity": -0.281136, "FDA_Category_X_Weighted_Contribution": -0.346027, "FDA_Category_X_Top_Rank": -0.086147, "FDA_Category_D_and_X_L1000_Similarity": -0.351616, "FDA_Category_D_and_X_Structural_Similarity": -0.679788, "FDA_Category_D_and_X_Weighted_Contribution": -0.814356, "FDA_Category_D_and_X_Top_Rank": -0.0944629, "Placenta_Crossing_L1000_Similarity": -0.714907, "Placenta_Crossing_Structural_Similarity": 2.22586, "Placenta_Crossing_Weighted_Contribution": 1.78983, "Placenta_Crossing_Top_Rank": 0.055067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC", "InChI_key": "QZZUEBNBZAPZLX-QFIPXVFZSA-N" } }, "CID:69216": { "type": "Drug", "properties": { "id": "CID:69216", "label": "5-methylhydantoin", "lsm": "LSM-4463", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/69216", "FDA_Category_D_L1000_Similarity": -0.169181, "FDA_Category_D_Structural_Similarity": 0.137424, "FDA_Category_D_Weighted_Contribution": -0.0781554, "FDA_Category_D_Top_Rank": -0.0815112, "FDA_Category_X_L1000_Similarity": -0.0040423, "FDA_Category_X_Structural_Similarity": -0.70281, "FDA_Category_X_Weighted_Contribution": -0.721837, "FDA_Category_X_Top_Rank": -0.0876192, "FDA_Category_D_and_X_L1000_Similarity": -0.147068, "FDA_Category_D_and_X_Structural_Similarity": -0.270158, "FDA_Category_D_and_X_Weighted_Contribution": -0.431854, "FDA_Category_D_and_X_Top_Rank": -0.091277, "Placenta_Crossing_L1000_Similarity": 0.20952, "Placenta_Crossing_Structural_Similarity": -0.254752, "Placenta_Crossing_Weighted_Contribution": -0.265206, "Placenta_Crossing_Top_Rank": -0.0865368, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:693139": { "type": "Drug", "properties": { "id": "CID:693139", "label": "cay-10577", "lsm": "LSM-5469", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/693139", "FDA_Category_D_L1000_Similarity": 1.97765, "FDA_Category_D_Structural_Similarity": -0.816667, "FDA_Category_D_Weighted_Contribution": 0.212411, "FDA_Category_D_Top_Rank": 0.175624, "FDA_Category_X_L1000_Similarity": -0.733865, "FDA_Category_X_Structural_Similarity": 0.173668, "FDA_Category_X_Weighted_Contribution": -0.300748, "FDA_Category_X_Top_Rank": -0.0742449, "FDA_Category_D_and_X_L1000_Similarity": 1.48191, "FDA_Category_D_and_X_Structural_Similarity": -0.554489, "FDA_Category_D_and_X_Weighted_Contribution": 0.12179, "FDA_Category_D_and_X_Top_Rank": -0.0256599, "Placenta_Crossing_L1000_Similarity": 1.2544, "Placenta_Crossing_Structural_Similarity": 0.0628094, "Placenta_Crossing_Weighted_Contribution": 0.54667, "Placenta_Crossing_Top_Rank": -0.0586864, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C2=C1C(=O)C(=CN2)C(=O)O)Cl)Cl", "InChI_key": "HVXHDYSWCHQWBD-UHFFFAOYSA-N" } }, "CID:7015679": { "type": "Drug", "properties": { "id": "CID:7015679", "label": "eseroline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7015679", "FDA_Category_D_L1000_Similarity": 1.06258, "FDA_Category_D_Structural_Similarity": 0.643952, "FDA_Category_D_Weighted_Contribution": 1.19124, "FDA_Category_D_Top_Rank": -0.0611859, "FDA_Category_X_L1000_Similarity": 1.20111, "FDA_Category_X_Structural_Similarity": 0.293476, "FDA_Category_X_Weighted_Contribution": 0.813032, "FDA_Category_X_Top_Rank": -0.0641547, "FDA_Category_D_and_X_L1000_Similarity": 1.28072, "FDA_Category_D_and_X_Structural_Similarity": 0.669472, "FDA_Category_D_and_X_Weighted_Contribution": 1.27056, "FDA_Category_D_and_X_Top_Rank": -0.048411, "Placenta_Crossing_L1000_Similarity": -0.109193, "Placenta_Crossing_Structural_Similarity": -0.560892, "Placenta_Crossing_Weighted_Contribution": -0.638949, "Placenta_Crossing_Top_Rank": -0.0890526, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:701939": { "type": "Drug", "properties": { "id": "CID:701939", "label": "mw-a1-12", "lsm": "LSM-6665", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/701939", "FDA_Category_D_L1000_Similarity": 0.544013, "FDA_Category_D_Structural_Similarity": -0.38199, "FDA_Category_D_Weighted_Contribution": -0.170908, "FDA_Category_D_Top_Rank": -0.0841486, "FDA_Category_X_L1000_Similarity": -0.107402, "FDA_Category_X_Structural_Similarity": -0.61012, "FDA_Category_X_Weighted_Contribution": -0.690884, "FDA_Category_X_Top_Rank": -0.0882824, "FDA_Category_D_and_X_L1000_Similarity": 0.436338, "FDA_Category_D_and_X_Structural_Similarity": -0.632408, "FDA_Category_D_and_X_Weighted_Contribution": -0.459885, "FDA_Category_D_and_X_Top_Rank": -0.0869188, "Placenta_Crossing_L1000_Similarity": 0.736777, "Placenta_Crossing_Structural_Similarity": -0.568299, "Placenta_Crossing_Weighted_Contribution": -0.304609, "Placenta_Crossing_Top_Rank": -0.077985, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl", "InChI_key": "KPDOVJBEKCRATD-UHFFFAOYSA-N" } }, "CID:7029": { "type": "Drug", "properties": { "id": "CID:7029", "label": "diethylpropion", "lsm": "LSM-5038", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7029", "FDA_Category_D_L1000_Similarity": 1.559, "FDA_Category_D_Structural_Similarity": 0.253725, "FDA_Category_D_Weighted_Contribution": 1.08234, "FDA_Category_D_Top_Rank": 0.00420232, "FDA_Category_X_L1000_Similarity": 1.86038, "FDA_Category_X_Structural_Similarity": -0.200835, "FDA_Category_X_Weighted_Contribution": 0.63057, "FDA_Category_X_Top_Rank": -0.0118056, "FDA_Category_D_and_X_L1000_Similarity": 1.90885, "FDA_Category_D_and_X_Structural_Similarity": 0.0930158, "FDA_Category_D_and_X_Weighted_Contribution": 1.03034, "FDA_Category_D_and_X_Top_Rank": 0.0619521, "Placenta_Crossing_L1000_Similarity": 2.45896, "Placenta_Crossing_Structural_Similarity": 2.57866, "Placenta_Crossing_Weighted_Contribution": 3.42588, "Placenta_Crossing_Top_Rank": 0.260268, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(C)C(=O)C1=CC=CC=C1", "InChI_key": "XXEPPPIWZFICOJ-UHFFFAOYSA-N" } }, "CID:70311789": { "type": "Drug", "properties": { "id": "CID:70311789", "label": "LGX-818", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70311789", "FDA_Category_D_L1000_Similarity": -0.606746, "FDA_Category_D_Structural_Similarity": 0.923297, "FDA_Category_D_Weighted_Contribution": 0.441976, "FDA_Category_D_Top_Rank": -0.0541353, "FDA_Category_X_L1000_Similarity": -0.944597, "FDA_Category_X_Structural_Similarity": -0.0735872, "FDA_Category_X_Weighted_Contribution": -0.599317, "FDA_Category_X_Top_Rank": -0.0815543, "FDA_Category_D_and_X_L1000_Similarity": -0.809881, "FDA_Category_D_and_X_Structural_Similarity": 0.693125, "FDA_Category_D_and_X_Weighted_Contribution": 0.0865507, "FDA_Category_D_and_X_Top_Rank": -0.0673351, "Placenta_Crossing_L1000_Similarity": -0.628113, "Placenta_Crossing_Structural_Similarity": 1.57744, "Placenta_Crossing_Weighted_Contribution": 1.14272, "Placenta_Crossing_Top_Rank": -0.0146356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7048624": { "type": "Drug", "properties": { "id": "CID:7048624", "label": "cefazolin", "lsm": "LSM-5113", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7048624", "FDA_Category_D_L1000_Similarity": 0.0202143, "FDA_Category_D_Structural_Similarity": -0.20298, "FDA_Category_D_Weighted_Contribution": -0.283585, "FDA_Category_D_Top_Rank": -0.0895563, "FDA_Category_X_L1000_Similarity": 0.382883, "FDA_Category_X_Structural_Similarity": 0.0701939, "FDA_Category_X_Weighted_Contribution": 0.134609, "FDA_Category_X_Top_Rank": -0.077942, "FDA_Category_D_and_X_L1000_Similarity": 0.133706, "FDA_Category_D_and_X_Structural_Similarity": -0.123231, "FDA_Category_D_and_X_Weighted_Contribution": -0.176033, "FDA_Category_D_and_X_Top_Rank": -0.0888059, "Placenta_Crossing_L1000_Similarity": 0.7811, "Placenta_Crossing_Structural_Similarity": 1.29568, "Placenta_Crossing_Weighted_Contribution": 1.609, "Placenta_Crossing_Top_Rank": -0.0331663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7048637": { "type": "Drug", "properties": { "id": "CID:7048637", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7048637", "label": "Cefalotin", "FDA_Category_D_L1000_Similarity": -0.741475, "FDA_Category_X_L1000_Similarity": -0.285311, "FDA_Category_D_and_X_L1000_Similarity": -0.725812, "Placenta_Crossing_L1000_Similarity": -0.872402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:7061041": { "type": "Drug", "properties": { "id": "CID:7061041", "label": "ethisterone", "lsm": "LSM-2061", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7061041", "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C", "IDG_ID": "1084", "FDA_Category_D_L1000_Similarity": 0.494421, "FDA_Category_D_Structural_Similarity": -0.368163, "FDA_Category_D_Weighted_Contribution": -0.18455, "FDA_Category_D_Top_Rank": -0.0854028, "FDA_Category_X_L1000_Similarity": 1.82525, "FDA_Category_X_Structural_Similarity": 14.3293, "FDA_Category_X_Weighted_Contribution": 4.72733, "FDA_Category_X_Top_Rank": 17.966, "FDA_Category_D_and_X_L1000_Similarity": 0.980486, "FDA_Category_D_and_X_Structural_Similarity": 7.43981, "FDA_Category_D_and_X_Weighted_Contribution": 4.33887, "FDA_Category_D_and_X_Top_Rank": 5.1168, "Placenta_Crossing_L1000_Similarity": 0.351416, "Placenta_Crossing_Structural_Similarity": 2.54229, "Placenta_Crossing_Weighted_Contribution": 2.62185, "Placenta_Crossing_Top_Rank": 0.0930087, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70680399": { "type": "Drug", "properties": { "id": "CID:70680399", "label": "MW-SHH-54", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680399", "FDA_Category_D_L1000_Similarity": -0.0069632, "FDA_Category_D_Structural_Similarity": 0.456628, "FDA_Category_D_Weighted_Contribution": 0.323833, "FDA_Category_D_Top_Rank": -0.0726033, "FDA_Category_X_L1000_Similarity": 0.702339, "FDA_Category_X_Structural_Similarity": -0.302439, "FDA_Category_X_Weighted_Contribution": -0.0753866, "FDA_Category_X_Top_Rank": -0.0790922, "FDA_Category_D_and_X_L1000_Similarity": 0.207282, "FDA_Category_D_and_X_Structural_Similarity": 0.199237, "FDA_Category_D_and_X_Weighted_Contribution": 0.159361, "FDA_Category_D_and_X_Top_Rank": -0.0816741, "Placenta_Crossing_L1000_Similarity": 0.735208, "Placenta_Crossing_Structural_Similarity": 0.267033, "Placenta_Crossing_Weighted_Contribution": 0.485543, "Placenta_Crossing_Top_Rank": -0.0759231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70680404": { "type": "Drug", "properties": { "id": "CID:70680404", "label": "AT1-SHH-09", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680404", "FDA_Category_D_L1000_Similarity": 1.63013, "FDA_Category_D_Structural_Similarity": -0.738904, "FDA_Category_D_Weighted_Contribution": 0.0893691, "FDA_Category_D_Top_Rank": 0.0217024, "FDA_Category_X_L1000_Similarity": 1.77084, "FDA_Category_X_Structural_Similarity": 0.281384, "FDA_Category_X_Weighted_Contribution": 1.12167, "FDA_Category_X_Top_Rank": -0.023007, "FDA_Category_D_and_X_L1000_Similarity": 1.94297, "FDA_Category_D_and_X_Structural_Similarity": -0.434644, "FDA_Category_D_and_X_Weighted_Contribution": 0.496324, "FDA_Category_D_and_X_Top_Rank": 0.0736287, "Placenta_Crossing_L1000_Similarity": 2.21823, "Placenta_Crossing_Structural_Similarity": -0.0408368, "Placenta_Crossing_Weighted_Contribution": 0.954703, "Placenta_Crossing_Top_Rank": 0.117402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70680410": { "type": "Drug", "properties": { "id": "CID:70680410", "label": "MW-SHH-98", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680410", "FDA_Category_D_L1000_Similarity": 1.0511, "FDA_Category_D_Structural_Similarity": -0.859943, "FDA_Category_D_Weighted_Contribution": -0.329343, "FDA_Category_D_Top_Rank": -0.0623767, "FDA_Category_X_L1000_Similarity": 1.90392, "FDA_Category_X_Structural_Similarity": -0.72266, "FDA_Category_X_Weighted_Contribution": 0.102619, "FDA_Category_X_Top_Rank": -0.00468778, "FDA_Category_D_and_X_L1000_Similarity": 1.48425, "FDA_Category_D_and_X_Structural_Similarity": -1.07249, "FDA_Category_D_and_X_Weighted_Contribution": -0.340395, "FDA_Category_D_and_X_Top_Rank": -0.0254507, "Placenta_Crossing_L1000_Similarity": 1.45537, "Placenta_Crossing_Structural_Similarity": -1.0189, "Placenta_Crossing_Weighted_Contribution": -0.376724, "Placenta_Crossing_Top_Rank": -0.0441241, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7092995": { "type": "Drug", "properties": { "id": "CID:7092995", "label": "dehydroepiandrosterone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7092995", "FDA_Category_D_L1000_Similarity": 0.357453, "FDA_Category_D_Structural_Similarity": 1.63695, "FDA_Category_D_Weighted_Contribution": 1.81984, "FDA_Category_D_Top_Rank": -0.000954294, "FDA_Category_X_L1000_Similarity": -0.344081, "FDA_Category_X_Structural_Similarity": 3.51856, "FDA_Category_X_Weighted_Contribution": 3.31153, "FDA_Category_X_Top_Rank": 0.349905, "FDA_Category_D_and_X_L1000_Similarity": 0.203639, "FDA_Category_D_and_X_Structural_Similarity": 3.19787, "FDA_Category_D_and_X_Weighted_Contribution": 3.06433, "FDA_Category_D_and_X_Top_Rank": 0.274709, "Placenta_Crossing_L1000_Similarity": -0.617249, "Placenta_Crossing_Structural_Similarity": 0.222769, "Placenta_Crossing_Weighted_Contribution": -0.214734, "Placenta_Crossing_Top_Rank": -0.0771911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71329": { "type": "Drug", "properties": { "id": "CID:71329", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71329", "label": "dofetilide", "ref": "LSM-5925", "FDA_Category_D_L1000_Similarity": -0.287758, "FDA_Category_D_Structural_Similarity": 2.21704, "FDA_Category_D_Weighted_Contribution": 2.03123, "FDA_Category_D_Top_Rank": 0.0851426, "FDA_Category_X_L1000_Similarity": 0.169909, "FDA_Category_X_Structural_Similarity": 4.18366, "FDA_Category_X_Weighted_Contribution": 3.88046, "FDA_Category_X_Top_Rank": 0.676208, "FDA_Category_D_and_X_L1000_Similarity": -0.196456, "FDA_Category_D_and_X_Structural_Similarity": 4.01718, "FDA_Category_D_and_X_Weighted_Contribution": 3.43847, "FDA_Category_D_and_X_Top_Rank": 0.729107, "Placenta_Crossing_L1000_Similarity": 0.193118, "Placenta_Crossing_Structural_Similarity": 0.696792, "Placenta_Crossing_Weighted_Contribution": 0.646439, "Placenta_Crossing_Top_Rank": -0.0632335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C", "InChI_key": "IXTMWRCNAAVVAI-UHFFFAOYSA-N" } }, "CID:71350": { "type": "Drug", "properties": { "id": "CID:71350", "label": "cinalukast", "lsm": "LSM-3630", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71350", "FDA_Category_D_L1000_Similarity": 0.0800371, "FDA_Category_D_Structural_Similarity": -0.113406, "FDA_Category_D_Weighted_Contribution": -0.173704, "FDA_Category_D_Top_Rank": -0.0878309, "FDA_Category_X_L1000_Similarity": -0.476868, "FDA_Category_X_Structural_Similarity": -0.0610148, "FDA_Category_X_Weighted_Contribution": -0.394267, "FDA_Category_X_Top_Rank": -0.0811939, "FDA_Category_D_and_X_L1000_Similarity": -0.0758316, "FDA_Category_D_and_X_Structural_Similarity": -0.122935, "FDA_Category_D_and_X_Weighted_Contribution": -0.277354, "FDA_Category_D_and_X_Top_Rank": -0.0888024, "Placenta_Crossing_L1000_Similarity": -0.0786392, "Placenta_Crossing_Structural_Similarity": -0.235507, "Placenta_Crossing_Weighted_Contribution": -0.372439, "Placenta_Crossing_Top_Rank": -0.0865008, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=NC(=CS2)C3CCC3)C(=O)O", "InChI_key": "BZMKNPGKXJAIDV-UHFFFAOYSA-N" } }, "CID:71384": { "type": "Drug", "properties": { "id": "CID:71384", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71384", "label": "dexrazoxane", "FDA_Category_D_L1000_Similarity": -0.305537, "FDA_Category_D_Structural_Similarity": 0.00560111, "FDA_Category_D_Weighted_Contribution": -0.268113, "FDA_Category_D_Top_Rank": -0.0850568, "FDA_Category_X_L1000_Similarity": -1.03501, "FDA_Category_X_Structural_Similarity": -0.643501, "FDA_Category_X_Weighted_Contribution": -1.03394, "FDA_Category_X_Top_Rank": -0.0913233, "FDA_Category_D_and_X_L1000_Similarity": -0.577693, "FDA_Category_D_and_X_Structural_Similarity": -0.342785, "FDA_Category_D_and_X_Weighted_Contribution": -0.669969, "FDA_Category_D_and_X_Top_Rank": -0.0922764, "Placenta_Crossing_L1000_Similarity": -0.955431, "Placenta_Crossing_Structural_Similarity": 0.146391, "Placenta_Crossing_Weighted_Contribution": -0.423997, "Placenta_Crossing_Top_Rank": -0.0789668, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2", "InChI_key": "BMKDZUISNHGIBY-ZETCQYMHSA-N" } }, "CID:71490": { "type": "Drug", "properties": { "id": "CID:71490", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71490", "label": "Fenpiverinium", "FDA_Category_D_L1000_Similarity": -0.0704033, "FDA_Category_D_Structural_Similarity": 0.186109, "FDA_Category_D_Weighted_Contribution": 0.0216145, "FDA_Category_D_Top_Rank": -0.0803715, "FDA_Category_X_L1000_Similarity": -0.577918, "FDA_Category_X_Structural_Similarity": 0.154347, "FDA_Category_X_Weighted_Contribution": -0.247645, "FDA_Category_X_Top_Rank": -0.0751532, "FDA_Category_D_and_X_L1000_Similarity": -0.236187, "FDA_Category_D_and_X_Structural_Similarity": 0.231003, "FDA_Category_D_and_X_Weighted_Contribution": -0.0442359, "FDA_Category_D_and_X_Top_Rank": -0.0810099, "Placenta_Crossing_L1000_Similarity": 0.423852, "Placenta_Crossing_Structural_Similarity": -0.743598, "Placenta_Crossing_Weighted_Contribution": -0.573415, "Placenta_Crossing_Top_Rank": -0.0841401, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71496458": { "type": "Drug", "properties": { "id": "CID:71496458", "label": "osimertinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71496458", "FDA_Category_D_L1000_Similarity": -1.65419, "FDA_Category_D_Structural_Similarity": 2.72742, "FDA_Category_D_Weighted_Contribution": 1.72667, "FDA_Category_D_Top_Rank": 0.169018, "FDA_Category_X_L1000_Similarity": 0.852491, "FDA_Category_X_Structural_Similarity": -0.0593913, "FDA_Category_X_Weighted_Contribution": 0.242519, "FDA_Category_X_Top_Rank": -0.0755679, "FDA_Category_D_and_X_L1000_Similarity": -1.16706, "FDA_Category_D_and_X_Structural_Similarity": 2.13274, "FDA_Category_D_and_X_Weighted_Contribution": 1.36803, "FDA_Category_D_and_X_Top_Rank": 0.0517233, "Placenta_Crossing_L1000_Similarity": -2.32558, "Placenta_Crossing_Structural_Similarity": 1.08324, "Placenta_Crossing_Weighted_Contribution": -0.220146, "Placenta_Crossing_Top_Rank": -0.0464604, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC", "InChI_key": "DUYJMQONPNNFPI-UHFFFAOYSA-N" } }, "CID:71616": { "type": "Drug", "properties": { "id": "CID:71616", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71616", "label": "voriconazole", "FDA_Category_D_L1000_Similarity": 0.779418, "FDA_Category_D_Structural_Similarity": 1.90724, "FDA_Category_D_Weighted_Contribution": 2.34642, "FDA_Category_D_Top_Rank": 0.0339177, "FDA_Category_X_L1000_Similarity": 0.822964, "FDA_Category_X_Structural_Similarity": 0.697199, "FDA_Category_X_Weighted_Contribution": 1.05512, "FDA_Category_X_Top_Rank": -0.0542228, "FDA_Category_D_and_X_L1000_Similarity": 0.92179, "FDA_Category_D_and_X_Structural_Similarity": 1.89001, "FDA_Category_D_and_X_Weighted_Contribution": 2.31351, "FDA_Category_D_and_X_Top_Rank": 0.0231511, "Placenta_Crossing_L1000_Similarity": 0.699468, "Placenta_Crossing_Structural_Similarity": -0.351475, "Placenta_Crossing_Weighted_Contribution": -0.131501, "Placenta_Crossing_Top_Rank": -0.0788904, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O", "InChI_key": "BCEHBSKCWLPMDN-MGPLVRAMSA-N" } }, "CID:71655": { "type": "Drug", "properties": { "id": "CID:71655", "label": "moroxydine", "lsm": "LSM-5675", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71655", "FDA_Category_D_L1000_Similarity": -0.189929, "FDA_Category_D_Structural_Similarity": -0.320044, "FDA_Category_D_Weighted_Contribution": -0.483712, "FDA_Category_D_Top_Rank": -0.0917222, "FDA_Category_X_L1000_Similarity": 0.144022, "FDA_Category_X_Structural_Similarity": 1.10001, "FDA_Category_X_Weighted_Contribution": 1.12687, "FDA_Category_X_Top_Rank": -0.0359568, "FDA_Category_D_and_X_L1000_Similarity": -0.119988, "FDA_Category_D_and_X_Structural_Similarity": 0.33954, "FDA_Category_D_and_X_Weighted_Contribution": 0.118031, "FDA_Category_D_and_X_Top_Rank": -0.0785367, "Placenta_Crossing_L1000_Similarity": -0.370609, "Placenta_Crossing_Structural_Similarity": -0.746581, "Placenta_Crossing_Weighted_Contribution": -0.858937, "Placenta_Crossing_Top_Rank": -0.0903349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C(=N)N=C(N)N", "InChI_key": "KJHOZAZQWVKILO-UHFFFAOYSA-N" } }, "CID:71714682": { "type": "Drug", "properties": { "id": "CID:71714682", "label": "K-145", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71714682", "FDA_Category_D_L1000_Similarity": -0.544619, "FDA_Category_D_Structural_Similarity": -0.666282, "FDA_Category_D_Weighted_Contribution": -0.884527, "FDA_Category_D_Top_Rank": -0.0952922, "FDA_Category_X_L1000_Similarity": -0.286074, "FDA_Category_X_Structural_Similarity": -0.548893, "FDA_Category_X_Weighted_Contribution": -0.712229, "FDA_Category_X_Top_Rank": -0.0891994, "FDA_Category_D_and_X_L1000_Similarity": -0.556333, "FDA_Category_D_and_X_Structural_Similarity": -0.825017, "FDA_Category_D_and_X_Weighted_Contribution": -0.976332, "FDA_Category_D_and_X_Top_Rank": -0.0952712, "Placenta_Crossing_L1000_Similarity": -0.239506, "Placenta_Crossing_Structural_Similarity": -0.217844, "Placenta_Crossing_Weighted_Contribution": -0.424841, "Placenta_Crossing_Top_Rank": -0.0861853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7172": { "type": "Drug", "properties": { "id": "CID:7172", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7172", "label": "synephrine", "FDA_Category_D_L1000_Similarity": 0.52598, "FDA_Category_D_Structural_Similarity": -0.699876, "FDA_Category_D_Weighted_Contribution": -0.451954, "FDA_Category_D_Top_Rank": -0.0846496, "FDA_Category_X_L1000_Similarity": 0.537392, "FDA_Category_X_Structural_Similarity": -0.252717, "FDA_Category_X_Weighted_Contribution": -0.106783, "FDA_Category_X_Top_Rank": -0.0819707, "FDA_Category_D_and_X_L1000_Similarity": 0.616598, "FDA_Category_D_and_X_Structural_Similarity": -0.691866, "FDA_Category_D_and_X_Weighted_Contribution": -0.42674, "FDA_Category_D_and_X_Top_Rank": -0.0831061, "Placenta_Crossing_L1000_Similarity": 1.36218, "Placenta_Crossing_Structural_Similarity": 2.73088, "Placenta_Crossing_Weighted_Contribution": 3.17067, "Placenta_Crossing_Top_Rank": 0.135069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCC(C1=CC=C(C=C1)O)O", "InChI_key": "YRCWQPVGYLYSOX-UHFFFAOYSA-N" } }, "CID:7184": { "type": "Drug", "properties": { "id": "CID:7184", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7184", "label": "butylparaben", "FDA_Category_D_L1000_Similarity": -0.431868, "FDA_Category_D_Structural_Similarity": -0.0725002, "FDA_Category_D_Weighted_Contribution": -0.397401, "FDA_Category_D_Top_Rank": -0.0868412, "FDA_Category_X_L1000_Similarity": -0.865173, "FDA_Category_X_Structural_Similarity": 0.167587, "FDA_Category_X_Weighted_Contribution": -0.36438, "FDA_Category_X_Top_Rank": -0.0745218, "FDA_Category_D_and_X_L1000_Similarity": -0.635018, "FDA_Category_D_and_X_Structural_Similarity": 0.0328849, "FDA_Category_D_and_X_Weighted_Contribution": -0.408102, "FDA_Category_D_and_X_Top_Rank": -0.0856224, "Placenta_Crossing_L1000_Similarity": 0.469556, "Placenta_Crossing_Structural_Similarity": 1.74475, "Placenta_Crossing_Weighted_Contribution": 1.9142, "Placenta_Crossing_Top_Rank": 0.0038395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOC(=O)C1=CC=C(C=C1)O", "InChI_key": "QFOHBWFCKVYLES-UHFFFAOYSA-N" } }, "CID:72016": { "type": "Drug", "properties": { "id": "CID:72016", "label": "efaroxan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72016", "FDA_Category_D_L1000_Similarity": 0.0562739, "FDA_Category_D_Structural_Similarity": -0.760183, "FDA_Category_D_Weighted_Contribution": -0.708523, "FDA_Category_D_Top_Rank": -0.0916994, "FDA_Category_X_L1000_Similarity": 0.34171, "FDA_Category_X_Structural_Similarity": -0.624319, "FDA_Category_X_Weighted_Contribution": -0.5241, "FDA_Category_X_Top_Rank": -0.0844873, "FDA_Category_D_and_X_L1000_Similarity": 0.152276, "FDA_Category_D_and_X_Structural_Similarity": -0.940247, "FDA_Category_D_and_X_Weighted_Contribution": -0.799811, "FDA_Category_D_and_X_Top_Rank": -0.0907794, "Placenta_Crossing_L1000_Similarity": 0.0711079, "Placenta_Crossing_Structural_Similarity": -0.778772, "Placenta_Crossing_Weighted_Contribution": -0.72966, "Placenta_Crossing_Top_Rank": -0.0877873, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7211972": { "type": "Drug", "properties": { "id": "CID:7211972", "label": "brd-k27074404", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7211972", "FDA_Category_D_L1000_Similarity": 0.598684, "FDA_Category_D_Structural_Similarity": -0.130746, "FDA_Category_D_Weighted_Contribution": 0.0933848, "FDA_Category_D_Top_Rank": -0.0827034, "FDA_Category_X_L1000_Similarity": 0.368478, "FDA_Category_X_Structural_Similarity": -0.372782, "FDA_Category_X_Weighted_Contribution": -0.296112, "FDA_Category_X_Top_Rank": -0.0841719, "FDA_Category_D_and_X_L1000_Similarity": 0.627969, "FDA_Category_D_and_X_Structural_Similarity": -0.304927, "FDA_Category_D_and_X_Weighted_Contribution": -0.091045, "FDA_Category_D_and_X_Top_Rank": -0.0828538, "Placenta_Crossing_L1000_Similarity": 0.86989, "Placenta_Crossing_Structural_Similarity": -0.45042, "Placenta_Crossing_Weighted_Contribution": -0.142716, "Placenta_Crossing_Top_Rank": -0.0744408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3", "InChI_key": "WJRWSLORVIHRNX-UHFFFAOYSA-N" } }, "CID:72124": { "type": "Drug", "properties": { "id": "CID:72124", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72124", "label": "siguazodan", "FDA_Category_D_L1000_Similarity": -0.587176, "FDA_Category_D_Structural_Similarity": 0.980338, "FDA_Category_D_Weighted_Contribution": 0.513124, "FDA_Category_D_Top_Rank": -0.0514916, "FDA_Category_X_L1000_Similarity": 0.79615, "FDA_Category_X_Structural_Similarity": -0.694628, "FDA_Category_X_Weighted_Contribution": -0.391308, "FDA_Category_X_Top_Rank": -0.0769972, "FDA_Category_D_and_X_L1000_Similarity": -0.264374, "FDA_Category_D_and_X_Structural_Similarity": 0.403288, "FDA_Category_D_and_X_Weighted_Contribution": 0.101676, "FDA_Category_D_and_X_Top_Rank": -0.0767767, "Placenta_Crossing_L1000_Similarity": 1.28985, "Placenta_Crossing_Structural_Similarity": -0.0432941, "Placenta_Crossing_Weighted_Contribution": 0.45582, "Placenta_Crossing_Top_Rank": -0.056351, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=NC)NC#N", "InChI_key": "NUHPODZZKHQQET-UHFFFAOYSA-N" } }, "CID:72172": { "type": "Drug", "properties": { "id": "CID:72172", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72172", "label": "ubenimex", "FDA_Category_D_L1000_Similarity": 1.08236, "FDA_Category_D_Structural_Similarity": -0.525782, "FDA_Category_D_Weighted_Contribution": -0.0132028, "FDA_Category_D_Top_Rank": -0.0599234, "FDA_Category_X_L1000_Similarity": 1.50501, "FDA_Category_X_Structural_Similarity": 0.160506, "FDA_Category_X_Weighted_Contribution": 0.834433, "FDA_Category_X_Top_Rank": -0.0466917, "FDA_Category_D_and_X_L1000_Similarity": 1.39005, "FDA_Category_D_and_X_Structural_Similarity": -0.330712, "FDA_Category_D_and_X_Weighted_Contribution": 0.289149, "FDA_Category_D_and_X_Top_Rank": -0.0379429, "Placenta_Crossing_L1000_Similarity": 0.89651, "Placenta_Crossing_Structural_Similarity": -0.680027, "Placenta_Crossing_Weighted_Contribution": -0.330556, "Placenta_Crossing_Top_Rank": -0.0737022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O", "InChI_key": "VGGGPCQERPFHOB-RDBSUJKOSA-N" } }, "CID:72281": { "type": "Drug", "properties": { "id": "CID:72281", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72281", "label": "hesperetin", "FDA_Category_D_L1000_Similarity": 0.953562, "FDA_Category_D_Structural_Similarity": -0.506996, "FDA_Category_D_Weighted_Contribution": -0.0660874, "FDA_Category_D_Top_Rank": -0.0683294, "FDA_Category_X_L1000_Similarity": 0.485326, "FDA_Category_X_Structural_Similarity": 0.357646, "FDA_Category_X_Weighted_Contribution": 0.489359, "FDA_Category_X_Top_Rank": -0.0673961, "FDA_Category_D_and_X_L1000_Similarity": 0.969368, "FDA_Category_D_and_X_Structural_Similarity": -0.209425, "FDA_Category_D_and_X_Weighted_Contribution": 0.177233, "FDA_Category_D_and_X_Top_Rank": -0.0707674, "Placenta_Crossing_L1000_Similarity": 1.14565, "Placenta_Crossing_Structural_Similarity": -0.695851, "Placenta_Crossing_Weighted_Contribution": -0.235942, "Placenta_Crossing_Top_Rank": -0.0646101, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O", "InChI_key": "AIONOLUJZLIMTK-AWEZNQCLSA-N" } }, "CID:72287": { "type": "Drug", "properties": { "id": "CID:72287", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72287", "label": "methotrimeprazine", "FDA_Category_D_L1000_Similarity": 0.545994, "FDA_Category_D_Structural_Similarity": -0.656171, "FDA_Category_D_Weighted_Contribution": -0.406552, "FDA_Category_D_Top_Rank": -0.0840476, "FDA_Category_X_L1000_Similarity": 1.13841, "FDA_Category_X_Structural_Similarity": -0.379597, "FDA_Category_X_Weighted_Contribution": 0.062612, "FDA_Category_X_Top_Rank": -0.0667267, "FDA_Category_D_and_X_L1000_Similarity": 0.816369, "FDA_Category_D_and_X_Structural_Similarity": -0.72564, "FDA_Category_D_and_X_Weighted_Contribution": -0.363164, "FDA_Category_D_and_X_Top_Rank": -0.0771439, "Placenta_Crossing_L1000_Similarity": 0.553268, "Placenta_Crossing_Structural_Similarity": -0.255762, "Placenta_Crossing_Weighted_Contribution": -0.112064, "Placenta_Crossing_Top_Rank": -0.0820263, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C", "InChI_key": "VRQVVMDWGGWHTJ-CQSZACIVSA-N" } }, "CID:72344": { "type": "Drug", "properties": { "id": "CID:72344", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72344", "label": "nobiletin", "FDA_Category_D_L1000_Similarity": -0.159624, "FDA_Category_D_Structural_Similarity": 0.640848, "FDA_Category_D_Weighted_Contribution": 0.420706, "FDA_Category_D_Top_Rank": -0.0660841, "FDA_Category_X_L1000_Similarity": -1.01819, "FDA_Category_X_Structural_Similarity": 0.422587, "FDA_Category_X_Weighted_Contribution": -0.203609, "FDA_Category_X_Top_Rank": -0.0648972, "FDA_Category_D_and_X_L1000_Similarity": -0.446804, "FDA_Category_D_and_X_Structural_Similarity": 0.736676, "FDA_Category_D_and_X_Weighted_Contribution": 0.326534, "FDA_Category_D_and_X_Top_Rank": -0.0660228, "Placenta_Crossing_L1000_Similarity": -0.720827, "Placenta_Crossing_Structural_Similarity": -0.728952, "Placenta_Crossing_Weighted_Contribution": -0.959079, "Placenta_Crossing_Top_Rank": -0.0913617, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC", "InChI_key": "MRIAQLRQZPPODS-UHFFFAOYSA-N" } }, "CID:72703790": { "type": "Drug", "properties": { "id": "CID:72703790", "label": "EGF-816", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72703790", "FDA_Category_D_L1000_Similarity": -1.28153, "FDA_Category_D_Structural_Similarity": -0.473898, "FDA_Category_D_Weighted_Contribution": -1.03136, "FDA_Category_D_Top_Rank": -0.0938322, "FDA_Category_X_L1000_Similarity": 1.85919, "FDA_Category_X_Structural_Similarity": -0.37999, "FDA_Category_X_Weighted_Contribution": 0.435453, "FDA_Category_X_Top_Rank": -0.0119424, "FDA_Category_D_and_X_L1000_Similarity": -0.540107, "FDA_Category_D_and_X_Structural_Similarity": -0.58118, "FDA_Category_D_and_X_Weighted_Contribution": -0.818991, "FDA_Category_D_and_X_Top_Rank": -0.0946669, "Placenta_Crossing_L1000_Similarity": -1.11261, "Placenta_Crossing_Structural_Similarity": -0.665733, "Placenta_Crossing_Weighted_Contribution": -1.03854, "Placenta_Crossing_Top_Rank": -0.0910245, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:72734382": { "type": "Drug", "properties": { "id": "CID:72734382", "label": "HDAC3-selective", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72734382", "FDA_Category_D_L1000_Similarity": 0.148348, "FDA_Category_D_Structural_Similarity": 1.35649, "FDA_Category_D_Weighted_Contribution": 1.38513, "FDA_Category_D_Top_Rank": -0.0305353, "FDA_Category_X_L1000_Similarity": 0.556227, "FDA_Category_X_Structural_Similarity": -0.449687, "FDA_Category_X_Weighted_Contribution": -0.280769, "FDA_Category_X_Top_Rank": -0.0816923, "FDA_Category_D_and_X_L1000_Similarity": 0.296804, "FDA_Category_D_and_X_Structural_Similarity": 0.834019, "FDA_Category_D_and_X_Weighted_Contribution": 0.857122, "FDA_Category_D_and_X_Top_Rank": -0.06203, "Placenta_Crossing_L1000_Similarity": 0.347788, "Placenta_Crossing_Structural_Similarity": 1.22192, "Placenta_Crossing_Weighted_Contribution": 1.29361, "Placenta_Crossing_Top_Rank": -0.0384943, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7314": { "type": "Drug", "properties": { "id": "CID:7314", "label": "maltobionic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7314", "FDA_Category_D_L1000_Similarity": -0.477478, "FDA_Category_D_Structural_Similarity": -0.634088, "FDA_Category_D_Weighted_Contribution": -0.83759, "FDA_Category_D_Top_Rank": -0.0950494, "FDA_Category_X_L1000_Similarity": 0.78887, "FDA_Category_X_Structural_Similarity": -0.662472, "FDA_Category_X_Weighted_Contribution": -0.366454, "FDA_Category_X_Top_Rank": -0.0771901, "FDA_Category_D_and_X_L1000_Similarity": -0.172031, "FDA_Category_D_and_X_Structural_Similarity": -0.860751, "FDA_Category_D_and_X_Weighted_Contribution": -0.866315, "FDA_Category_D_and_X_Top_Rank": -0.0934669, "Placenta_Crossing_L1000_Similarity": -0.15616, "Placenta_Crossing_Structural_Similarity": 0.170949, "Placenta_Crossing_Weighted_Contribution": -0.0510717, "Placenta_Crossing_Top_Rank": -0.0785135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73157": { "type": "Drug", "properties": { "id": "CID:73157", "label": "lobaric-acid", "lsm": "LSM-3982", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73157", "FDA_Category_D_L1000_Similarity": -0.550511, "FDA_Category_D_Structural_Similarity": -0.589877, "FDA_Category_D_Weighted_Contribution": -0.836627, "FDA_Category_D_Top_Rank": -0.0949527, "FDA_Category_X_L1000_Similarity": 1.4027, "FDA_Category_X_Structural_Similarity": 0.837476, "FDA_Category_X_Weighted_Contribution": 1.54557, "FDA_Category_X_Top_Rank": -0.0484709, "FDA_Category_D_and_X_L1000_Similarity": -0.0485696, "FDA_Category_D_and_X_Structural_Similarity": -0.016294, "FDA_Category_D_and_X_Weighted_Contribution": -0.171844, "FDA_Category_D_and_X_Top_Rank": -0.0866472, "Placenta_Crossing_L1000_Similarity": 0.108965, "Placenta_Crossing_Structural_Similarity": -0.0041121, "Placenta_Crossing_Weighted_Contribution": -0.0882263, "Placenta_Crossing_Top_Rank": -0.0824283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)C(=O)CCCC)OC)O)C(=O)O", "InChI_key": "JHEWMLHQNRHTQX-UHFFFAOYSA-N" } }, "CID:7333": { "type": "Drug", "properties": { "id": "CID:7333", "label": "ditolylguanidine", "lsm": "LSM-2732", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7333", "FDA_Category_D_L1000_Similarity": -0.139263, "FDA_Category_D_Structural_Similarity": -0.899, "FDA_Category_D_Weighted_Contribution": -0.881516, "FDA_Category_D_Top_Rank": -0.0933055, "FDA_Category_X_L1000_Similarity": 1.68547, "FDA_Category_X_Structural_Similarity": -0.598625, "FDA_Category_X_Weighted_Contribution": 0.117438, "FDA_Category_X_Top_Rank": -0.0320344, "FDA_Category_D_and_X_L1000_Similarity": 0.391802, "FDA_Category_D_and_X_Structural_Similarity": -1.03656, "FDA_Category_D_and_X_Weighted_Contribution": -0.774414, "FDA_Category_D_and_X_Top_Rank": -0.0875831, "Placenta_Crossing_L1000_Similarity": 1.00901, "Placenta_Crossing_Structural_Similarity": -0.755716, "Placenta_Crossing_Weighted_Contribution": -0.346171, "Placenta_Crossing_Top_Rank": -0.0700652, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N", "InChI_key": "OPNUROKCUBTKLF-UHFFFAOYSA-N" } }, "CID:73438899": { "type": "Drug", "properties": { "id": "CID:73438899", "label": "BOX-5", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73438899", "FDA_Category_D_L1000_Similarity": 1.09012, "FDA_Category_D_Structural_Similarity": -0.0626814, "FDA_Category_D_Weighted_Contribution": 0.449919, "FDA_Category_D_Top_Rank": -0.0592967, "FDA_Category_X_L1000_Similarity": -0.207712, "FDA_Category_X_Structural_Similarity": 0.243212, "FDA_Category_X_Weighted_Contribution": 0.0123544, "FDA_Category_X_Top_Rank": -0.0717562, "FDA_Category_D_and_X_L1000_Similarity": 0.876622, "FDA_Category_D_and_X_Structural_Similarity": 0.0814853, "FDA_Category_D_and_X_Weighted_Contribution": 0.413404, "FDA_Category_D_and_X_Top_Rank": -0.0750614, "Placenta_Crossing_L1000_Similarity": 0.47938, "Placenta_Crossing_Structural_Similarity": -0.390962, "Placenta_Crossing_Weighted_Contribution": -0.26461, "Placenta_Crossing_Top_Rank": -0.0833058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73602827": { "type": "Drug", "properties": { "id": "CID:73602827", "label": "THZ-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73602827", "FDA_Category_D_L1000_Similarity": -0.60908, "FDA_Category_X_L1000_Similarity": -0.713596, "FDA_Category_D_and_X_L1000_Similarity": -0.74175, "Placenta_Crossing_L1000_Similarity": -0.764927, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707354": { "type": "Drug", "properties": { "id": "CID:73707354", "label": "eserine", "lsm": "LSM-6060", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707354", "FDA_Category_D_L1000_Similarity": 1.12466, "FDA_Category_X_L1000_Similarity": 0.197068, "FDA_Category_D_and_X_L1000_Similarity": 1.02932, "Placenta_Crossing_L1000_Similarity": 0.665324, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707359": { "type": "Drug", "properties": { "id": "CID:73707359", "label": "ascorbyl-palmitate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707359", "FDA_Category_D_L1000_Similarity": 0.996134, "FDA_Category_X_L1000_Similarity": 0.921485, "FDA_Category_D_and_X_L1000_Similarity": 1.13853, "Placenta_Crossing_L1000_Similarity": 1.29651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(=O)C(=O)O1)O)O", "InChI_key": "CYJPUZLKFAUFHF-CNBHCMJISA-N" } }, "CID:73707385": { "type": "Drug", "properties": { "id": "CID:73707385", "label": "TL-AA09", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707385", "FDA_Category_D_L1000_Similarity": 2.04321, "FDA_Category_X_L1000_Similarity": 2.27878, "FDA_Category_D_and_X_L1000_Similarity": 2.4533, "Placenta_Crossing_L1000_Similarity": 2.82812, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707407": { "type": "Drug", "properties": { "id": "CID:73707407", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707407", "label": "doxercalciferol", "FDA_Category_D_L1000_Similarity": 0.277443, "FDA_Category_D_Structural_Similarity": -0.628353, "FDA_Category_D_Weighted_Contribution": -0.511271, "FDA_Category_D_Top_Rank": -0.0891633, "FDA_Category_X_L1000_Similarity": 2.14081, "FDA_Category_X_Structural_Similarity": 2.4738, "FDA_Category_X_Weighted_Contribution": 3.45424, "FDA_Category_X_Top_Rank": 0.108091, "FDA_Category_D_and_X_L1000_Similarity": 0.889289, "FDA_Category_D_and_X_Structural_Similarity": 0.836122, "FDA_Category_D_and_X_Weighted_Contribution": 1.21404, "FDA_Category_D_and_X_Top_Rank": -0.0618534, "Placenta_Crossing_L1000_Similarity": 0.312822, "Placenta_Crossing_Structural_Similarity": 0.814954, "Placenta_Crossing_Weighted_Contribution": 0.835932, "Placenta_Crossing_Top_Rank": -0.0590885, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C", "InChI_key": "HKXBNHCUPKIYDM-MYVUTAQISA-N" } }, "CID:73707410": { "type": "Drug", "properties": { "id": "CID:73707410", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707410", "label": "ebelactone-b", "FDA_Category_D_L1000_Similarity": 0.117595, "FDA_Category_D_Structural_Similarity": 0.0228202, "FDA_Category_D_Weighted_Contribution": -0.0285465, "FDA_Category_D_Top_Rank": -0.0846257, "FDA_Category_X_L1000_Similarity": 2.46625, "FDA_Category_X_Structural_Similarity": 3.01954, "FDA_Category_X_Weighted_Contribution": 3.87301, "FDA_Category_X_Top_Rank": 0.226541, "FDA_Category_D_and_X_L1000_Similarity": 0.850324, "FDA_Category_D_and_X_Structural_Similarity": 1.64744, "FDA_Category_D_and_X_Weighted_Contribution": 2.03934, "FDA_Category_D_and_X_Top_Rank": -0.00123751, "Placenta_Crossing_L1000_Similarity": 0.923258, "Placenta_Crossing_Structural_Similarity": -0.388406, "Placenta_Crossing_Weighted_Contribution": -0.0618825, "Placenta_Crossing_Top_Rank": -0.072976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(OC1=O)C(C)CC(=CC(C)C(=O)C(C)C(C(C)CC)O)C", "InChI_key": "UNBMQQNYLCPCHS-MGTGEOTMSA-N" } }, "CID:73707426": { "type": "Drug", "properties": { "id": "CID:73707426", "label": "alfacalcidol", "lsm": "LSM-5918", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707426", "IDG_ID": "130", "FDA_Category_D_L1000_Similarity": -0.888636, "FDA_Category_D_Structural_Similarity": -0.658196, "FDA_Category_D_Weighted_Contribution": -1.00444, "FDA_Category_D_Top_Rank": -0.0955208, "FDA_Category_X_L1000_Similarity": -0.218577, "FDA_Category_X_Structural_Similarity": 1.55647, "FDA_Category_X_Weighted_Contribution": 1.44057, "FDA_Category_X_Top_Rank": -0.00548363, "FDA_Category_D_and_X_L1000_Similarity": -0.832394, "FDA_Category_D_and_X_Structural_Similarity": 0.317443, "FDA_Category_D_and_X_Weighted_Contribution": -0.263488, "FDA_Category_D_and_X_Top_Rank": -0.078938, "Placenta_Crossing_L1000_Similarity": -2.30443, "Placenta_Crossing_Structural_Similarity": 0.446161, "Placenta_Crossing_Weighted_Contribution": -0.715741, "Placenta_Crossing_Top_Rank": -0.0711434, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C", "InChI_key": "OFHCOWSQAMBJIW-FFVLKWEISA-N" } }, "CID:73707428": { "type": "Drug", "properties": { "id": "CID:73707428", "label": "carbetocin", "lsm": "LSM-5025", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707428", "IDG_ID": "495", "FDA_Category_D_L1000_Similarity": 0.454983, "FDA_Category_D_Structural_Similarity": 0.883215, "FDA_Category_D_Weighted_Contribution": 1.06376, "FDA_Category_D_Top_Rank": -0.0566347, "FDA_Category_X_L1000_Similarity": 0.0356242, "FDA_Category_X_Structural_Similarity": 0.760614, "FDA_Category_X_Weighted_Contribution": 0.683856, "FDA_Category_X_Top_Rank": -0.0514046, "FDA_Category_D_and_X_L1000_Similarity": 0.403023, "FDA_Category_D_and_X_Structural_Similarity": 1.11144, "FDA_Category_D_and_X_Weighted_Contribution": 1.21697, "FDA_Category_D_and_X_Top_Rank": -0.0452781, "Placenta_Crossing_L1000_Similarity": 0.680641, "Placenta_Crossing_Structural_Similarity": 1.27749, "Placenta_Crossing_Weighted_Contribution": 1.53518, "Placenta_Crossing_Top_Rank": -0.0342459, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCCC3C(=O)NC(C(=O)NCC(=O)N)C(C)(C)C)CC(=O)N)CCC(=O)N", "InChI_key": "GOANGOSGGZAITB-SVCSGJSHSA-N" } }, "CID:73707438": { "type": "Drug", "properties": { "id": "CID:73707438", "label": "yl-54", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707438", "FDA_Category_D_L1000_Similarity": -0.189416, "FDA_Category_D_Structural_Similarity": 0.503784, "FDA_Category_D_Weighted_Contribution": 0.263696, "FDA_Category_D_Top_Rank": -0.0707985, "FDA_Category_X_L1000_Similarity": -0.588443, "FDA_Category_X_Structural_Similarity": 0.309142, "FDA_Category_X_Weighted_Contribution": -0.108224, "FDA_Category_X_Top_Rank": -0.0694242, "FDA_Category_D_and_X_L1000_Similarity": -0.341979, "FDA_Category_D_and_X_Structural_Similarity": 0.566672, "FDA_Category_D_and_X_Weighted_Contribution": 0.217005, "FDA_Category_D_and_X_Top_Rank": -0.0719893, "Placenta_Crossing_L1000_Similarity": -0.0396264, "Placenta_Crossing_Structural_Similarity": 0.319471, "Placenta_Crossing_Weighted_Contribution": 0.145031, "Placenta_Crossing_Top_Rank": -0.0745562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(=O)NC1(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCSC)CC(C)C)CC(C)C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)C", "InChI_key": "RHVIOOGDCUZPSJ-DTPFTBJGSA-N" } }, "CID:73707439": { "type": "Drug", "properties": { "id": "CID:73707439", "label": "yl-55", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707439", "FDA_Category_D_L1000_Similarity": 0.697814, "FDA_Category_D_Structural_Similarity": 0.467042, "FDA_Category_D_Weighted_Contribution": 0.76662, "FDA_Category_D_Top_Rank": -0.072142, "FDA_Category_X_L1000_Similarity": -1.26313, "FDA_Category_X_Structural_Similarity": 0.39296, "FDA_Category_X_Weighted_Contribution": -0.341295, "FDA_Category_X_Top_Rank": -0.0661211, "FDA_Category_D_and_X_L1000_Similarity": 0.217934, "FDA_Category_D_and_X_Structural_Similarity": 0.582736, "FDA_Category_D_and_X_Weighted_Contribution": 0.547996, "FDA_Category_D_and_X_Top_Rank": -0.0714945, "Placenta_Crossing_L1000_Similarity": -0.336498, "Placenta_Crossing_Structural_Similarity": 0.44883, "Placenta_Crossing_Weighted_Contribution": 0.124532, "Placenta_Crossing_Top_Rank": -0.0710613, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC=CCCCC(C(=O)N1)(C)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O)CC(C)C)CC(C)C", "InChI_key": "UKQJJDPQNQGHEW-DLCJFKKRSA-N" } }, "CID:73707440": { "type": "Drug", "properties": { "id": "CID:73707440", "label": "yl-59", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707440", "FDA_Category_D_L1000_Similarity": -0.152539, "FDA_Category_D_Structural_Similarity": 0.441908, "FDA_Category_D_Weighted_Contribution": 0.223499, "FDA_Category_D_Top_Rank": -0.073114, "FDA_Category_X_L1000_Similarity": 0.0210919, "FDA_Category_X_Structural_Similarity": 0.219685, "FDA_Category_X_Weighted_Contribution": 0.10279, "FDA_Category_X_Top_Rank": -0.0725667, "FDA_Category_D_and_X_L1000_Similarity": -0.125085, "FDA_Category_D_and_X_Structural_Similarity": 0.469289, "FDA_Category_D_and_X_Weighted_Contribution": 0.240635, "FDA_Category_D_and_X_Top_Rank": -0.0749106, "Placenta_Crossing_L1000_Similarity": 0.51792, "Placenta_Crossing_Structural_Similarity": 0.346892, "Placenta_Crossing_Weighted_Contribution": 0.454365, "Placenta_Crossing_Top_Rank": -0.0739132, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC1(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)(C)C(=O)NC(CCCNC(=N)N)C(=O)N)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)C", "InChI_key": "GGLDQJNBYFODOM-HQYAZLBHSA-N" } }, "CID:73707442": { "type": "Drug", "properties": { "id": "CID:73707442", "label": "yl-61", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707442", "FDA_Category_D_L1000_Similarity": 0.831069, "FDA_Category_D_Structural_Similarity": 0.486447, "FDA_Category_D_Weighted_Contribution": 0.871686, "FDA_Category_D_Top_Rank": -0.0715106, "FDA_Category_X_L1000_Similarity": -1.20451, "FDA_Category_X_Structural_Similarity": 0.436395, "FDA_Category_X_Weighted_Contribution": -0.276253, "FDA_Category_X_Top_Rank": -0.0645301, "FDA_Category_D_and_X_L1000_Similarity": 0.350617, "FDA_Category_D_and_X_Structural_Similarity": 0.621576, "FDA_Category_D_and_X_Weighted_Contribution": 0.665327, "FDA_Category_D_and_X_Top_Rank": -0.070044, "Placenta_Crossing_L1000_Similarity": -0.0126415, "Placenta_Crossing_Structural_Similarity": 0.731254, "Placenta_Crossing_Weighted_Contribution": 0.573343, "Placenta_Crossing_Top_Rank": -0.0619853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(=O)NC1(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CS)CCCNC(=N)N)(C)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC3=CNC=N3)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)CCNC(=O)C", "InChI_key": "OQHLPAAWWGDXAW-GUFDHMHMSA-N" } }, "CID:73707446": { "type": "Drug", "properties": { "id": "CID:73707446", "label": "tigecycline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707446", "FDA_Category_D_L1000_Similarity": -1.8231, "FDA_Category_D_Structural_Similarity": 3.72288, "FDA_Category_D_Weighted_Contribution": 2.61897, "FDA_Category_D_Top_Rank": 0.433538, "FDA_Category_X_L1000_Similarity": -2.55962, "FDA_Category_X_Structural_Similarity": 1.61814, "FDA_Category_X_Weighted_Contribution": 0.211658, "FDA_Category_X_Top_Rank": 3.49237e-05, "FDA_Category_D_and_X_L1000_Similarity": -2.34885, "FDA_Category_D_and_X_Structural_Similarity": 3.82804, "FDA_Category_D_and_X_Weighted_Contribution": 2.41076, "FDA_Category_D_and_X_Top_Rank": 0.572467, "Placenta_Crossing_L1000_Similarity": -2.18233, "Placenta_Crossing_Structural_Similarity": 2.71377, "Placenta_Crossing_Weighted_Contribution": 1.51792, "Placenta_Crossing_Top_Rank": 0.130145, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:73707453": { "type": "Drug", "properties": { "id": "CID:73707453", "label": "benzathine", "lsm": "LSM-6045", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707453", "FDA_Category_D_L1000_Similarity": 0.10229, "FDA_Category_D_Structural_Similarity": -0.288914, "FDA_Category_D_Weighted_Contribution": -0.31618, "FDA_Category_D_Top_Rank": -0.0912068, "FDA_Category_X_L1000_Similarity": -0.920675, "FDA_Category_X_Structural_Similarity": -0.457325, "FDA_Category_X_Weighted_Contribution": -0.875028, "FDA_Category_X_Top_Rank": -0.0891645, "FDA_Category_D_and_X_L1000_Similarity": -0.191414, "FDA_Category_D_and_X_Structural_Similarity": -0.476086, "FDA_Category_D_and_X_Weighted_Contribution": -0.609472, "FDA_Category_D_and_X_Top_Rank": -0.0935806, "Placenta_Crossing_L1000_Similarity": -0.921427, "Placenta_Crossing_Structural_Similarity": 7.21151, "Placenta_Crossing_Weighted_Contribution": 4.28668, "Placenta_Crossing_Top_Rank": 7.12137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707463": { "type": "Drug", "properties": { "id": "CID:73707463", "label": "lymecycline", "lsm": "LSM-5149", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707463", "FDA_Category_D_L1000_Similarity": -0.0133621, "FDA_Category_D_Structural_Similarity": 3.58914, "FDA_Category_D_Weighted_Contribution": 3.33587, "FDA_Category_D_Top_Rank": 0.387669, "FDA_Category_X_L1000_Similarity": 0.420371, "FDA_Category_X_Structural_Similarity": 0.360209, "FDA_Category_X_Weighted_Contribution": 0.45712, "FDA_Category_X_Top_Rank": -0.0672228, "FDA_Category_D_and_X_L1000_Similarity": 0.11614, "FDA_Category_D_and_X_Structural_Similarity": 3.04312, "FDA_Category_D_and_X_Weighted_Contribution": 2.91411, "FDA_Category_D_and_X_Top_Rank": 0.223197, "Placenta_Crossing_L1000_Similarity": 0.324366, "Placenta_Crossing_Structural_Similarity": 1.35491, "Placenta_Crossing_Weighted_Contribution": 1.42427, "Placenta_Crossing_Top_Rank": -0.0296977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707530": { "type": "Drug", "properties": { "id": "CID:73707530", "label": "ql-x-138", "lsm": "LSM-5803", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707530", "FDA_Category_D_L1000_Similarity": -1.23706, "FDA_Category_X_L1000_Similarity": -1.01587, "FDA_Category_D_and_X_L1000_Similarity": -1.37486, "Placenta_Crossing_L1000_Similarity": -0.775469, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C", "InChI_key": "JMVDIGHUQAXWIE-UHFFFAOYSA-N" } }, "CID:73707536": { "type": "Drug", "properties": { "id": "CID:73707536", "label": "BG-1007", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707536", "FDA_Category_D_L1000_Similarity": -0.562816, "FDA_Category_D_Structural_Similarity": 1.51001, "FDA_Category_D_Weighted_Contribution": 1.09741, "FDA_Category_D_Top_Rank": -0.0165198, "FDA_Category_X_L1000_Similarity": -0.617743, "FDA_Category_X_Structural_Similarity": -0.272918, "FDA_Category_X_Weighted_Contribution": -0.627598, "FDA_Category_X_Top_Rank": -0.0859983, "FDA_Category_D_and_X_L1000_Similarity": -0.672754, "FDA_Category_D_and_X_Structural_Similarity": 1.05125, "FDA_Category_D_and_X_Weighted_Contribution": 0.516393, "FDA_Category_D_and_X_Top_Rank": -0.0496307, "Placenta_Crossing_L1000_Similarity": -0.615368, "Placenta_Crossing_Structural_Similarity": 0.287276, "Placenta_Crossing_Weighted_Contribution": -0.156838, "Placenta_Crossing_Top_Rank": -0.0753529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707543": { "type": "Drug", "properties": { "id": "CID:73707543", "label": "BG-1025", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707543", "FDA_Category_D_L1000_Similarity": 0.318486, "FDA_Category_D_Structural_Similarity": 1.53793, "FDA_Category_D_Weighted_Contribution": 1.6899, "FDA_Category_D_Top_Rank": -0.0124149, "FDA_Category_X_L1000_Similarity": -0.989102, "FDA_Category_X_Structural_Similarity": -0.274422, "FDA_Category_X_Weighted_Contribution": -0.769606, "FDA_Category_X_Top_Rank": -0.0860273, "FDA_Category_D_and_X_L1000_Similarity": -0.0258276, "FDA_Category_D_and_X_Structural_Similarity": 1.0726, "FDA_Category_D_and_X_Weighted_Contribution": 0.918424, "FDA_Category_D_and_X_Top_Rank": -0.048411, "Placenta_Crossing_L1000_Similarity": -0.240533, "Placenta_Crossing_Structural_Similarity": 0.28159, "Placenta_Crossing_Weighted_Contribution": 0.0119322, "Placenta_Crossing_Top_Rank": -0.0754981, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707575": { "type": "Drug", "properties": { "id": "CID:73707575", "label": "MK-801", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707575", "FDA_Category_D_L1000_Similarity": -1.49164, "FDA_Category_X_L1000_Similarity": -0.794155, "FDA_Category_D_and_X_L1000_Similarity": -1.52699, "Placenta_Crossing_L1000_Similarity": -1.25153, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707583": { "type": "Drug", "properties": { "id": "CID:73707583", "label": "PD-149163", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707583", "FDA_Category_D_L1000_Similarity": 0.412817, "FDA_Category_D_Structural_Similarity": -0.283665, "FDA_Category_D_Weighted_Contribution": -0.15153, "FDA_Category_D_Top_Rank": -0.0869832, "FDA_Category_X_L1000_Similarity": 0.558759, "FDA_Category_X_Structural_Similarity": 0.00778952, "FDA_Category_X_Weighted_Contribution": 0.160597, "FDA_Category_X_Top_Rank": -0.0795786, "FDA_Category_D_and_X_L1000_Similarity": 0.525543, "FDA_Category_D_and_X_Structural_Similarity": -0.220945, "FDA_Category_D_and_X_Weighted_Contribution": -0.0669832, "FDA_Category_D_and_X_Top_Rank": -0.0851891, "Placenta_Crossing_L1000_Similarity": 0.546942, "Placenta_Crossing_Structural_Similarity": -0.00632141, "Placenta_Crossing_Weighted_Contribution": 0.117821, "Placenta_Crossing_Top_Rank": -0.0821529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707612": { "type": "Drug", "properties": { "id": "CID:73707612", "label": "BG-1015", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707612", "FDA_Category_D_L1000_Similarity": 0.255816, "FDA_Category_X_L1000_Similarity": 0.457968, "FDA_Category_D_and_X_L1000_Similarity": 0.359585, "Placenta_Crossing_L1000_Similarity": 0.567268, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7456": { "type": "Drug", "properties": { "id": "CID:7456", "label": "methylparaben", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7456", "IDG_ID": "1766", "FDA_Category_D_L1000_Similarity": -0.943394, "FDA_Category_D_Structural_Similarity": -0.1181, "FDA_Category_D_Weighted_Contribution": -0.667355, "FDA_Category_D_Top_Rank": -0.0879642, "FDA_Category_X_L1000_Similarity": 1.18164, "FDA_Category_X_Structural_Similarity": -0.0465786, "FDA_Category_X_Weighted_Contribution": 0.429418, "FDA_Category_X_Top_Rank": -0.0650378, "FDA_Category_D_and_X_L1000_Similarity": -0.454378, "FDA_Category_D_and_X_Structural_Similarity": -0.118871, "FDA_Category_D_and_X_Weighted_Contribution": -0.448596, "FDA_Category_D_and_X_Top_Rank": -0.0887207, "Placenta_Crossing_L1000_Similarity": 0.176462, "Placenta_Crossing_Structural_Similarity": 1.09585, "Placenta_Crossing_Weighted_Contribution": 1.0634, "Placenta_Crossing_Top_Rank": -0.0457043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC=C(C=C1)O", "InChI_key": "LXCFILQKKLGQFO-UHFFFAOYSA-N" } }, "CID:7699": { "type": "Drug", "properties": { "id": "CID:7699", "label": "benzonatate", "lsm": "LSM-4052", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7699", "FDA_Category_D_L1000_Similarity": 0.438735, "FDA_Category_D_Structural_Similarity": -0.169467, "FDA_Category_D_Weighted_Contribution": -0.0325083, "FDA_Category_D_Top_Rank": -0.0864629, "FDA_Category_X_L1000_Similarity": -0.281699, "FDA_Category_X_Structural_Similarity": -0.413927, "FDA_Category_X_Weighted_Contribution": -0.606168, "FDA_Category_X_Top_Rank": -0.0884555, "FDA_Category_D_and_X_L1000_Similarity": 0.292655, "FDA_Category_D_and_X_Structural_Similarity": -0.357862, "FDA_Category_D_and_X_Weighted_Contribution": -0.301358, "FDA_Category_D_and_X_Top_Rank": -0.089059, "Placenta_Crossing_L1000_Similarity": 0.833409, "Placenta_Crossing_Structural_Similarity": 0.184275, "Placenta_Crossing_Weighted_Contribution": 0.451736, "Placenta_Crossing_Top_Rank": -0.0753626, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC", "InChI_key": "MAFMQEKGGFWBAB-UHFFFAOYSA-N" } }, "CID:7741": { "type": "Drug", "properties": { "id": "CID:7741", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7741", "label": "betazole", "FDA_Category_D_L1000_Similarity": -0.0325589, "FDA_Category_D_Structural_Similarity": -0.952048, "FDA_Category_D_Weighted_Contribution": -0.875391, "FDA_Category_D_Top_Rank": -0.0924719, "FDA_Category_X_L1000_Similarity": 0.883879, "FDA_Category_X_Structural_Similarity": -0.540938, "FDA_Category_X_Weighted_Contribution": -0.214433, "FDA_Category_X_Top_Rank": -0.0748812, "FDA_Category_D_and_X_L1000_Similarity": 0.240352, "FDA_Category_D_and_X_Structural_Similarity": -1.04754, "FDA_Category_D_and_X_Weighted_Contribution": -0.837813, "FDA_Category_D_and_X_Top_Rank": -0.0897487, "Placenta_Crossing_L1000_Similarity": 0.55495, "Placenta_Crossing_Structural_Similarity": -0.971446, "Placenta_Crossing_Weighted_Contribution": -0.692321, "Placenta_Crossing_Top_Rank": -0.0820066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(NN=C1)CCN", "InChI_key": "JXDFEQONERDKSS-UHFFFAOYSA-N" } }, "CID:81423": { "type": "Drug", "properties": { "id": "CID:81423", "label": "aminoindazole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/81423", "FDA_Category_D_L1000_Similarity": 0.288539, "FDA_Category_D_Structural_Similarity": -0.677621, "FDA_Category_D_Weighted_Contribution": -0.544856, "FDA_Category_D_Top_Rank": -0.0890191, "FDA_Category_X_L1000_Similarity": 0.567065, "FDA_Category_X_Structural_Similarity": 1.96364, "FDA_Category_X_Weighted_Contribution": 2.32163, "FDA_Category_X_Top_Rank": 0.0371806, "FDA_Category_D_and_X_L1000_Similarity": 0.420937, "FDA_Category_D_and_X_Structural_Similarity": 0.521736, "FDA_Category_D_and_X_Weighted_Contribution": 0.602512, "FDA_Category_D_and_X_Top_Rank": -0.0731998, "Placenta_Crossing_L1000_Similarity": 0.501641, "Placenta_Crossing_Structural_Similarity": -0.789352, "Placenta_Crossing_Weighted_Contribution": -0.578186, "Placenta_Crossing_Top_Rank": -0.0829388, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1N)NN=C2", "InChI_key": "KEJFADGISRFLFO-UHFFFAOYSA-N" } }, "CID:8369": { "type": "Drug", "properties": { "id": "CID:8369", "label": "larixinic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8369", "FDA_Category_D_L1000_Similarity": 0.50498, "FDA_Category_D_Structural_Similarity": -0.32968, "FDA_Category_D_Weighted_Contribution": -0.144332, "FDA_Category_D_Top_Rank": -0.0851811, "FDA_Category_X_L1000_Similarity": 1.5999, "FDA_Category_X_Structural_Similarity": 0.218123, "FDA_Category_X_Weighted_Contribution": 0.952785, "FDA_Category_X_Top_Rank": -0.0395648, "FDA_Category_D_and_X_L1000_Similarity": 0.921158, "FDA_Category_D_and_X_Structural_Similarity": -0.143973, "FDA_Category_D_and_X_Weighted_Contribution": 0.214499, "FDA_Category_D_and_X_Top_Rank": -0.0731065, "Placenta_Crossing_L1000_Similarity": 0.702547, "Placenta_Crossing_Structural_Similarity": -0.0719131, "Placenta_Crossing_Weighted_Contribution": 0.130669, "Placenta_Crossing_Top_Rank": -0.0788133, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)C=CO1)O", "InChI_key": "XPCTZQVDEJYUGT-UHFFFAOYSA-N" } }, "CID:8378": { "type": "Drug", "properties": { "id": "CID:8378", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8378", "label": "framycetin", "FDA_Category_D_L1000_Similarity": -0.40284, "FDA_Category_D_Structural_Similarity": 1.76928, "FDA_Category_D_Weighted_Contribution": 1.48329, "FDA_Category_D_Top_Rank": 0.0157579, "FDA_Category_X_L1000_Similarity": 0.549029, "FDA_Category_X_Structural_Similarity": 0.672988, "FDA_Category_X_Weighted_Contribution": 0.87273, "FDA_Category_X_Top_Rank": -0.055054, "FDA_Category_D_and_X_L1000_Similarity": -0.180525, "FDA_Category_D_and_X_Structural_Similarity": 1.76744, "FDA_Category_D_and_X_Weighted_Contribution": 1.56759, "FDA_Category_D_and_X_Top_Rank": 0.0120237, "Placenta_Crossing_L1000_Similarity": -0.361285, "Placenta_Crossing_Structural_Similarity": 2.31035, "Placenta_Crossing_Weighted_Contribution": 2.06096, "Placenta_Crossing_Top_Rank": 0.0637929, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N", "InChI_key": "PGBHMTALBVVCIT-VCIWKGPPSA-N" } }, "CID:83969": { "type": "Drug", "properties": { "id": "CID:83969", "label": "albendazole oxide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/83969", "FDA_Category_D_L1000_Similarity": -0.817218, "FDA_Category_D_Structural_Similarity": -0.359898, "FDA_Category_D_Weighted_Contribution": -0.786673, "FDA_Category_D_Top_Rank": -0.0923478, "FDA_Category_X_L1000_Similarity": -1.59565, "FDA_Category_X_Structural_Similarity": -0.322291, "FDA_Category_X_Weighted_Contribution": -1.00856, "FDA_Category_X_Top_Rank": -0.0868926, "FDA_Category_D_and_X_L1000_Similarity": -1.18902, "FDA_Category_D_and_X_Structural_Similarity": -0.459563, "FDA_Category_D_and_X_Weighted_Contribution": -0.969967, "FDA_Category_D_and_X_Top_Rank": -0.0935899, "Placenta_Crossing_L1000_Similarity": -1.08076, "Placenta_Crossing_Structural_Similarity": -0.602958, "Placenta_Crossing_Weighted_Contribution": -0.992853, "Placenta_Crossing_Top_Rank": -0.0905939, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC", "InChI_key": "VXTGHWHFYNYFFV-UHFFFAOYSA-N" } }, "CID:8515": { "type": "Drug", "properties": { "id": "CID:8515", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8515", "label": "2,6-dihydroanthra/1,9-cd/pyrazol-6-one", "FDA_Category_D_L1000_Similarity": 0.0944347, "FDA_Category_D_Structural_Similarity": -0.158236, "FDA_Category_D_Weighted_Contribution": -0.206216, "FDA_Category_D_Top_Rank": -0.0886745, "FDA_Category_X_L1000_Similarity": 1.30515, "FDA_Category_X_Structural_Similarity": 0.98413, "FDA_Category_X_Weighted_Contribution": 1.65634, "FDA_Category_X_Top_Rank": -0.041862, "FDA_Category_D_and_X_L1000_Similarity": 0.47776, "FDA_Category_D_and_X_Structural_Similarity": 0.405438, "FDA_Category_D_and_X_Weighted_Contribution": 0.515497, "FDA_Category_D_and_X_Top_Rank": -0.0767044, "Placenta_Crossing_L1000_Similarity": 0.56622, "Placenta_Crossing_Structural_Similarity": -0.876262, "Placenta_Crossing_Weighted_Contribution": -0.6188, "Placenta_Crossing_Top_Rank": -0.0817823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O", "InChI_key": "ACPOUJIDANTYHO-UHFFFAOYSA-N" } }, "CID:854019": { "type": "Drug", "properties": { "id": "CID:854019", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/854019", "label": "cotinine", "ref": "LSM-5986", "FDA_Category_D_L1000_Similarity": 1.33195, "FDA_Category_D_Structural_Similarity": -0.570055, "FDA_Category_D_Weighted_Contribution": 0.0838122, "FDA_Category_D_Top_Rank": -0.034607, "FDA_Category_X_L1000_Similarity": -2.56452, "FDA_Category_X_Structural_Similarity": 0.70611, "FDA_Category_X_Weighted_Contribution": -0.623784, "FDA_Category_X_Top_Rank": -0.05401, "FDA_Category_D_and_X_L1000_Similarity": 0.369368, "FDA_Category_D_and_X_Structural_Similarity": -0.0714457, "FDA_Category_D_and_X_Weighted_Contribution": -0.0102273, "FDA_Category_D_and_X_Top_Rank": -0.0877478, "Placenta_Crossing_L1000_Similarity": 0.112572, "Placenta_Crossing_Structural_Similarity": -0.784698, "Placenta_Crossing_Weighted_Contribution": -0.71905, "Placenta_Crossing_Top_Rank": -0.0874201, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(CCC1=O)C2=CN=CC=C2", "InChI_key": "UIKROCXWUNQSPJ-VIFPVBQESA-N" } }, "CID:8550": { "type": "Drug", "properties": { "id": "CID:8550", "label": "deserpidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8550", "FDA_Category_D_L1000_Similarity": -1.48563, "FDA_Category_D_Structural_Similarity": -0.135014, "FDA_Category_D_Weighted_Contribution": -0.897258, "FDA_Category_D_Top_Rank": -0.0882627, "FDA_Category_X_L1000_Similarity": 1.15049, "FDA_Category_X_Structural_Similarity": 4.46936, "FDA_Category_X_Weighted_Contribution": 4.19555, "FDA_Category_X_Top_Rank": 0.836381, "FDA_Category_D_and_X_L1000_Similarity": -0.931264, "FDA_Category_D_and_X_Structural_Similarity": 2.30448, "FDA_Category_D_and_X_Weighted_Contribution": 1.68976, "FDA_Category_D_and_X_Top_Rank": 0.0763892, "Placenta_Crossing_L1000_Similarity": -0.705266, "Placenta_Crossing_Structural_Similarity": 0.532802, "Placenta_Crossing_Weighted_Contribution": 0.0264288, "Placenta_Crossing_Top_Rank": -0.068656, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC", "InChI_key": "CVBMAZKKCSYWQR-WCGOZPBSSA-N" } }, "CID:8569": { "type": "Drug", "properties": { "id": "CID:8569", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8569", "label": "dioxybenzone", "FDA_Category_D_L1000_Similarity": 0.171061, "FDA_Category_D_Structural_Similarity": 0.191754, "FDA_Category_D_Weighted_Contribution": 0.163584, "FDA_Category_D_Top_Rank": -0.0801988, "FDA_Category_X_L1000_Similarity": -0.899121, "FDA_Category_X_Structural_Similarity": 1.80062, "FDA_Category_X_Weighted_Contribution": 1.33063, "FDA_Category_X_Top_Rank": 0.0151742, "FDA_Category_D_and_X_L1000_Similarity": -0.125591, "FDA_Category_D_and_X_Structural_Similarity": 1.1238, "FDA_Category_D_and_X_Weighted_Contribution": 0.913406, "FDA_Category_D_and_X_Top_Rank": -0.0441525, "Placenta_Crossing_L1000_Similarity": 0.356441, "Placenta_Crossing_Structural_Similarity": -0.0624827, "Placenta_Crossing_Weighted_Contribution": -0.0264813, "Placenta_Crossing_Top_Rank": -0.0835194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O", "InChI_key": "MEZZCSHVIGVWFI-UHFFFAOYSA-N" } }, "CID:870371": { "type": "Drug", "properties": { "id": "CID:870371", "label": "stk-222600", "lsm": "LSM-3535", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/870371", "FDA_Category_D_L1000_Similarity": 1.40572, "FDA_Category_D_Structural_Similarity": -0.571182, "FDA_Category_D_Weighted_Contribution": 0.124558, "FDA_Category_D_Top_Rank": -0.0237075, "FDA_Category_X_L1000_Similarity": 1.20651, "FDA_Category_X_Structural_Similarity": -0.391348, "FDA_Category_X_Weighted_Contribution": 0.0848981, "FDA_Category_X_Top_Rank": -0.0638138, "FDA_Category_D_and_X_L1000_Similarity": 1.57816, "FDA_Category_D_and_X_Structural_Similarity": -0.664525, "FDA_Category_D_and_X_Weighted_Contribution": 0.0686159, "FDA_Category_D_and_X_Top_Rank": -0.010582, "Placenta_Crossing_L1000_Similarity": 1.41714, "Placenta_Crossing_Structural_Similarity": -0.623822, "Placenta_Crossing_Weighted_Contribution": -0.0479602, "Placenta_Crossing_Top_Rank": -0.0470012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Cl", "InChI_key": "HJVFVAZFMFYABI-UHFFFAOYSA-N" } }, "CID:88129": { "type": "Drug", "properties": { "id": "CID:88129", "label": "valproxam", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/88129", "FDA_Category_D_L1000_Similarity": 0.320397, "FDA_Category_D_Structural_Similarity": 0.658486, "FDA_Category_D_Weighted_Contribution": 0.734916, "FDA_Category_D_Top_Rank": -0.0655014, "FDA_Category_X_L1000_Similarity": 0.264156, "FDA_Category_X_Structural_Similarity": -0.0830266, "FDA_Category_X_Weighted_Contribution": -0.0752494, "FDA_Category_X_Top_Rank": -0.0818134, "FDA_Category_D_and_X_L1000_Similarity": 0.356409, "FDA_Category_D_and_X_Structural_Similarity": 0.477848, "FDA_Category_D_and_X_Weighted_Contribution": 0.51999, "FDA_Category_D_and_X_Top_Rank": -0.0745335, "Placenta_Crossing_L1000_Similarity": 0.337915, "Placenta_Crossing_Structural_Similarity": -0.283166, "Placenta_Crossing_Weighted_Contribution": -0.233404, "Placenta_Crossing_Top_Rank": -0.0852342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:896331": { "type": "Drug", "properties": { "id": "CID:896331", "label": "arg-csc-22", "lsm": "LSM-6609", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/896331", "FDA_Category_D_L1000_Similarity": 0.642492, "FDA_Category_D_Structural_Similarity": 0.0632825, "FDA_Category_D_Weighted_Contribution": 0.310642, "FDA_Category_D_Top_Rank": -0.0813555, "FDA_Category_X_L1000_Similarity": 0.342454, "FDA_Category_X_Structural_Similarity": -0.375629, "FDA_Category_X_Weighted_Contribution": -0.310325, "FDA_Category_X_Top_Rank": -0.0844806, "FDA_Category_D_and_X_L1000_Similarity": 0.657831, "FDA_Category_D_and_X_Structural_Similarity": -0.15246, "FDA_Category_D_and_X_Weighted_Contribution": 0.065001, "FDA_Category_D_and_X_Top_Rank": -0.0822694, "Placenta_Crossing_L1000_Similarity": 1.32107, "Placenta_Crossing_Structural_Similarity": -0.430534, "Placenta_Crossing_Weighted_Contribution": 0.0876588, "Placenta_Crossing_Top_Rank": -0.0542677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CSC(=N1)NC(=O)C=CC2=CC(=C(C=C2)Cl)Cl", "InChI_key": "ICJZSDARRFSAJS-DUXPYHPUSA-N" } }, "CID:89683805": { "type": "Drug", "properties": { "id": "CID:89683805", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID89683805", "label": "enasidenib", "FDA_Category_D_L1000_Similarity": -0.157427, "FDA_Category_D_Structural_Similarity": -0.396295, "FDA_Category_D_Weighted_Contribution": -0.529077, "FDA_Category_D_Top_Rank": -0.0928553, "FDA_Category_X_L1000_Similarity": -1.19503, "FDA_Category_X_Structural_Similarity": -0.620041, "FDA_Category_X_Weighted_Contribution": -1.06852, "FDA_Category_X_Top_Rank": -0.0912865, "FDA_Category_D_and_X_L1000_Similarity": -0.498613, "FDA_Category_D_and_X_Structural_Similarity": -0.649116, "FDA_Category_D_and_X_Weighted_Contribution": -0.848031, "FDA_Category_D_and_X_Top_Rank": -0.0950638, "Placenta_Crossing_L1000_Similarity": -0.188841, "Placenta_Crossing_Structural_Similarity": -0.51556, "Placenta_Crossing_Weighted_Contribution": -0.635325, "Placenta_Crossing_Top_Rank": -0.0895301, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O", "InChI_key": "DYLUUSLLRIQKOE-UHFFFAOYSA-N" } }, "CID:9047": { "type": "Drug", "properties": { "id": "CID:9047", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9047", "label": "sulfametopyrazine", "FDA_Category_D_L1000_Similarity": 0.178391, "FDA_Category_D_Structural_Similarity": 0.625366, "FDA_Category_D_Weighted_Contribution": 0.611181, "FDA_Category_D_Top_Rank": -0.0666026, "FDA_Category_X_L1000_Similarity": 0.294283, "FDA_Category_X_Structural_Similarity": 0.0498186, "FDA_Category_X_Weighted_Contribution": 0.0695967, "FDA_Category_X_Top_Rank": -0.0785862, "FDA_Category_D_and_X_L1000_Similarity": 0.243141, "FDA_Category_D_and_X_Structural_Similarity": 0.523243, "FDA_Category_D_and_X_Weighted_Contribution": 0.501457, "FDA_Category_D_and_X_Top_Rank": -0.0731221, "Placenta_Crossing_L1000_Similarity": 0.271804, "Placenta_Crossing_Structural_Similarity": 2.00606, "Placenta_Crossing_Weighted_Contribution": 2.07792, "Placenta_Crossing_Top_Rank": 0.0324656, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "KXRZBTAEDBELFD-UHFFFAOYSA-N" } }, "CID:90488984": { "type": "Drug", "properties": { "id": "CID:90488984", "label": "I-CBP112", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/90488984", "FDA_Category_D_L1000_Similarity": -0.0688752, "FDA_Category_D_Structural_Similarity": -0.526555, "FDA_Category_D_Weighted_Contribution": -0.589763, "FDA_Category_D_Top_Rank": -0.0927607, "FDA_Category_X_L1000_Similarity": -0.00765495, "FDA_Category_X_Structural_Similarity": 0.0548951, "FDA_Category_X_Weighted_Contribution": -0.0734175, "FDA_Category_X_Top_Rank": -0.0784396, "FDA_Category_D_and_X_L1000_Similarity": -0.0616949, "FDA_Category_D_and_X_Structural_Similarity": -0.388312, "FDA_Category_D_and_X_Weighted_Contribution": -0.487483, "FDA_Category_D_and_X_Top_Rank": -0.0927179, "Placenta_Crossing_L1000_Similarity": 0.459264, "Placenta_Crossing_Structural_Similarity": -0.77022, "Placenta_Crossing_Weighted_Contribution": -0.579978, "Placenta_Crossing_Top_Rank": -0.0835919, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9051": { "type": "Drug", "properties": { "id": "CID:9051", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9051", "label": "dydrogesterone", "FDA_Category_D_L1000_Similarity": 0.757004, "FDA_Category_D_Structural_Similarity": 0.287949, "FDA_Category_D_Weighted_Contribution": 0.612671, "FDA_Category_D_Top_Rank": -0.0775189, "FDA_Category_X_L1000_Similarity": -0.0378995, "FDA_Category_X_Structural_Similarity": 2.6742, "FDA_Category_X_Weighted_Contribution": 2.72645, "FDA_Category_X_Top_Rank": 0.141826, "FDA_Category_D_and_X_L1000_Similarity": 0.641039, "FDA_Category_D_and_X_Structural_Similarity": 1.67154, "FDA_Category_D_and_X_Weighted_Contribution": 1.94566, "FDA_Category_D_and_X_Top_Rank": 0.00135391, "Placenta_Crossing_L1000_Similarity": 1.43886, "Placenta_Crossing_Structural_Similarity": 0.999308, "Placenta_Crossing_Weighted_Contribution": 1.64866, "Placenta_Crossing_Top_Rank": -0.0451879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C", "InChI_key": "JGMOKGBVKVMRFX-HQZYFCCVSA-N" } }, "CID:91270": { "type": "Drug", "properties": { "id": "CID:91270", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91270", "label": "moexipril", "ref": "LSM-2751", "FDA_Category_D_L1000_Similarity": 0.711889, "FDA_Category_D_Structural_Similarity": 5.72711, "FDA_Category_D_Weighted_Contribution": 4.268, "FDA_Category_D_Top_Rank": 1.69136, "FDA_Category_X_L1000_Similarity": 0.424129, "FDA_Category_X_Structural_Similarity": -0.608327, "FDA_Category_X_Weighted_Contribution": -0.476538, "FDA_Category_X_Top_Rank": -0.0834753, "FDA_Category_D_and_X_L1000_Similarity": 0.742454, "FDA_Category_D_and_X_Structural_Similarity": 4.21744, "FDA_Category_D_and_X_Weighted_Contribution": 3.77509, "FDA_Category_D_and_X_Top_Rank": 0.823059, "Placenta_Crossing_L1000_Similarity": 1.12374, "Placenta_Crossing_Structural_Similarity": 3.85827, "Placenta_Crossing_Weighted_Contribution": 3.72824, "Placenta_Crossing_Top_Rank": 0.454202, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC", "InChI_key": "UWWDHYUMIORJTA-HSQYWUDLSA-N" } }, "CID:91469": { "type": "Drug", "properties": { "id": "CID:91469", "label": "equol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91469", "FDA_Category_D_L1000_Similarity": 0.918141, "FDA_Category_D_Structural_Similarity": -0.390865, "FDA_Category_D_Weighted_Contribution": 0.0234203, "FDA_Category_D_Top_Rank": -0.0705045, "FDA_Category_X_L1000_Similarity": 0.981112, "FDA_Category_X_Structural_Similarity": -0.261469, "FDA_Category_X_Weighted_Contribution": 0.102032, "FDA_Category_X_Top_Rank": -0.0719574, "FDA_Category_D_and_X_L1000_Similarity": 1.0894, "FDA_Category_D_and_X_Structural_Similarity": -0.451322, "FDA_Category_D_and_X_Weighted_Contribution": 0.0117635, "FDA_Category_D_and_X_Top_Rank": -0.0634169, "Placenta_Crossing_L1000_Similarity": 1.91078, "Placenta_Crossing_Structural_Similarity": -1.03312, "Placenta_Crossing_Weighted_Contribution": -0.191338, "Placenta_Crossing_Top_Rank": 0.0225394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O", "InChI_key": "ADFCQWZHKCXPAJ-GFCCVEGCSA-N" } }, "CID:91469546": { "type": "Drug", "properties": { "id": "CID:91469546", "label": "oxytetracycline", "lsm": "LSM-4998", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91469546", "FDA_Category_D_L1000_Similarity": 0.504401, "FDA_Category_D_Structural_Similarity": 7.15905, "FDA_Category_D_Weighted_Contribution": 4.41277, "FDA_Category_D_Top_Rank": 2.76805, "FDA_Category_X_L1000_Similarity": -2.44381, "FDA_Category_X_Structural_Similarity": 1.18034, "FDA_Category_X_Weighted_Contribution": -0.162286, "FDA_Category_X_Top_Rank": -0.0299664, "FDA_Category_D_and_X_L1000_Similarity": -0.307329, "FDA_Category_D_and_X_Structural_Similarity": 6.31914, "FDA_Category_D_and_X_Weighted_Contribution": 4.16473, "FDA_Category_D_and_X_Top_Rank": 2.50688, "Placenta_Crossing_L1000_Similarity": -0.542056, "Placenta_Crossing_Structural_Similarity": 0.229715, "Placenta_Crossing_Weighted_Contribution": -0.174968, "Placenta_Crossing_Top_Rank": -0.0770499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:91617630": { "type": "Drug", "properties": { "id": "CID:91617630", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID91617630", "label": "daprodustat", "FDA_Category_D_L1000_Similarity": -1.38153, "FDA_Category_D_Structural_Similarity": 0.18458, "FDA_Category_D_Weighted_Contribution": -0.633204, "FDA_Category_D_Top_Rank": -0.0804165, "FDA_Category_X_L1000_Similarity": -0.141123, "FDA_Category_X_Structural_Similarity": -0.194844, "FDA_Category_X_Weighted_Contribution": -0.364479, "FDA_Category_X_Top_Rank": -0.0844639, "FDA_Category_D_and_X_L1000_Similarity": -1.23375, "FDA_Category_D_and_X_Structural_Similarity": 0.0413664, "FDA_Category_D_and_X_Weighted_Contribution": -0.65821, "FDA_Category_D_and_X_Top_Rank": -0.0854463, "Placenta_Crossing_L1000_Similarity": -1.14997, "Placenta_Crossing_Structural_Similarity": -0.636229, "Placenta_Crossing_Weighted_Contribution": -1.03253, "Placenta_Crossing_Top_Rank": -0.0908034, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O", "InChI_key": "RUEYEZADQJCKGV-UHFFFAOYSA-N" } }, "CID:91668": { "type": "Drug", "properties": { "id": "CID:91668", "label": "nomegestrol acetate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91668", "FDA_Category_D_L1000_Similarity": 0.338459, "FDA_Category_D_Structural_Similarity": -0.191963, "FDA_Category_D_Weighted_Contribution": -0.107705, "FDA_Category_D_Top_Rank": -0.0881814, "FDA_Category_X_L1000_Similarity": 1.91271, "FDA_Category_X_Structural_Similarity": 4.2895, "FDA_Category_X_Weighted_Contribution": 4.25772, "FDA_Category_X_Top_Rank": 0.710872, "FDA_Category_D_and_X_L1000_Similarity": 0.872616, "FDA_Category_D_and_X_Structural_Similarity": 2.16224, "FDA_Category_D_and_X_Weighted_Contribution": 2.53696, "FDA_Category_D_and_X_Top_Rank": 0.0555711, "Placenta_Crossing_L1000_Similarity": 0.549683, "Placenta_Crossing_Structural_Similarity": 0.103023, "Placenta_Crossing_Weighted_Contribution": 0.225527, "Placenta_Crossing_Top_Rank": -0.0799646, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4C1=CC(=O)CC4", "InChI_key": "IIVBFTNIGYRNQY-YQLZSBIMSA-N" } }, "CID:91769": { "type": "Drug", "properties": { "id": "CID:91769", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID91769", "label": "zolantidine", "FDA_Category_D_L1000_Similarity": -1.28331, "FDA_Category_D_Structural_Similarity": -0.819252, "FDA_Category_D_Weighted_Contribution": -1.21745, "FDA_Category_D_Top_Rank": -0.0965809, "FDA_Category_X_L1000_Similarity": 1.63367, "FDA_Category_X_Structural_Similarity": -0.340295, "FDA_Category_X_Weighted_Contribution": 0.357612, "FDA_Category_X_Top_Rank": -0.0370715, "FDA_Category_D_and_X_L1000_Similarity": -0.610119, "FDA_Category_D_and_X_Structural_Similarity": -0.833873, "FDA_Category_D_and_X_Weighted_Contribution": -0.999085, "FDA_Category_D_and_X_Top_Rank": -0.095437, "Placenta_Crossing_L1000_Similarity": -0.516237, "Placenta_Crossing_Structural_Similarity": -0.586027, "Placenta_Crossing_Weighted_Contribution": -0.801797, "Placenta_Crossing_Top_Rank": -0.0904339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3", "InChI_key": "KUBONGDXTUOOLM-UHFFFAOYSA-N" } }, "CID:92144482": { "type": "Drug", "properties": { "id": "CID:92144482", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID92144482", "label": "Semagacestat", "FDA_Category_D_L1000_Similarity": -0.251406, "FDA_Category_D_Structural_Similarity": -0.521173, "FDA_Category_D_Weighted_Contribution": -0.66578, "FDA_Category_D_Top_Rank": -0.0939643, "FDA_Category_X_L1000_Similarity": 1.06042, "FDA_Category_X_Structural_Similarity": -0.628407, "FDA_Category_X_Weighted_Contribution": -0.213629, "FDA_Category_X_Top_Rank": -0.0694841, "FDA_Category_D_and_X_L1000_Similarity": 0.105314, "FDA_Category_D_and_X_Structural_Similarity": -0.752748, "FDA_Category_D_and_X_Weighted_Contribution": -0.68925, "FDA_Category_D_and_X_Top_Rank": -0.0912577, "Placenta_Crossing_L1000_Similarity": 1.35714, "Placenta_Crossing_Structural_Similarity": -0.6365, "Placenta_Crossing_Weighted_Contribution": -0.0874791, "Placenta_Crossing_Top_Rank": -0.0519269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:92400": { "type": "Drug", "properties": { "id": "CID:92400", "label": "zofenopril", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/92400", "FDA_Category_D_L1000_Similarity": 1.47907, "FDA_Category_D_Structural_Similarity": 9.34682, "FDA_Category_D_Weighted_Contribution": 4.50362, "FDA_Category_D_Top_Rank": 7.07482, "FDA_Category_X_L1000_Similarity": 0.808159, "FDA_Category_X_Structural_Similarity": -0.531849, "FDA_Category_X_Weighted_Contribution": -0.240883, "FDA_Category_X_Top_Rank": -0.0767178, "FDA_Category_D_and_X_L1000_Similarity": 1.52042, "FDA_Category_D_and_X_Structural_Similarity": 7.13171, "FDA_Category_D_and_X_Weighted_Contribution": 4.3386, "FDA_Category_D_and_X_Top_Rank": 3.99827, "Placenta_Crossing_L1000_Similarity": 1.28168, "Placenta_Crossing_Structural_Similarity": 6.59205, "Placenta_Crossing_Weighted_Contribution": 4.33421, "Placenta_Crossing_Top_Rank": 3.51152, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3", "InChI_key": "IAIDUHCBNLFXEF-MNEFBYGVSA-N" } }, "CID:92974": { "type": "Drug", "properties": { "id": "CID:92974", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID92974", "label": "droxidopa", "FDA_Category_D_L1000_Similarity": 0.169956, "FDA_Category_D_Structural_Similarity": -0.442643, "FDA_Category_D_Weighted_Contribution": -0.412064, "FDA_Category_D_Top_Rank": -0.0905249, "FDA_Category_X_L1000_Similarity": 2.01346, "FDA_Category_X_Structural_Similarity": -0.500351, "FDA_Category_X_Weighted_Contribution": 0.389405, "FDA_Category_X_Top_Rank": 0.0135447, "FDA_Category_D_and_X_L1000_Similarity": 0.757958, "FDA_Category_D_and_X_Structural_Similarity": -0.621319, "FDA_Category_D_and_X_Weighted_Contribution": -0.303568, "FDA_Category_D_and_X_Top_Rank": -0.0792772, "Placenta_Crossing_L1000_Similarity": 0.40667, "Placenta_Crossing_Structural_Similarity": -0.392905, "Placenta_Crossing_Weighted_Contribution": -0.297867, "Placenta_Crossing_Top_Rank": -0.084392, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O", "InChI_key": "QXWYKJLNLSIPIN-JGVFFNPUSA-N" } }, "CID:93504": { "type": "Drug", "properties": { "id": "CID:93504", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID93504", "label": "levcromakalim", "FDA_Category_D_L1000_Similarity": 1.19066, "FDA_Category_D_Structural_Similarity": 0.225984, "FDA_Category_D_Weighted_Contribution": 0.817781, "FDA_Category_D_Top_Rank": -0.0498134, "FDA_Category_X_L1000_Similarity": 0.997424, "FDA_Category_X_Structural_Similarity": -0.434184, "FDA_Category_X_Weighted_Contribution": -0.0600618, "FDA_Category_X_Top_Rank": -0.0715261, "FDA_Category_D_and_X_L1000_Similarity": 1.32927, "FDA_Category_D_and_X_Structural_Similarity": -0.0549176, "FDA_Category_D_and_X_Weighted_Contribution": 0.53291, "FDA_Category_D_and_X_Top_Rank": -0.044273, "Placenta_Crossing_L1000_Similarity": 1.02382, "Placenta_Crossing_Structural_Similarity": -0.34171, "Placenta_Crossing_Weighted_Contribution": 0.0289343, "Placenta_Crossing_Top_Rank": -0.0696764, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C", "InChI_key": "TVZCRIROJQEVOT-CABCVRRESA-N" } }, "CID:9416": { "type": "Drug", "properties": { "id": "CID:9416", "label": "testosterone enanthate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9416", "FDA_Category_D_L1000_Similarity": -0.411238, "FDA_Category_X_L1000_Similarity": 1.01551, "FDA_Category_D_and_X_L1000_Similarity": -0.0461042, "Placenta_Crossing_L1000_Similarity": -0.0122706, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C", "InChI_key": "VOCBWIIFXDYGNZ-IXKNJLPQSA-N" } }, "CID:9417": { "type": "Drug", "properties": { "id": "CID:9417", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9417", "label": "opipramol", "FDA_Category_D_L1000_Similarity": -0.418386, "FDA_Category_D_Structural_Similarity": -0.232791, "FDA_Category_D_Weighted_Contribution": -0.52067, "FDA_Category_D_Top_Rank": -0.0901486, "FDA_Category_X_L1000_Similarity": 1.02948, "FDA_Category_X_Structural_Similarity": -0.498545, "FDA_Category_X_Weighted_Contribution": -0.106386, "FDA_Category_X_Top_Rank": -0.0705639, "FDA_Category_D_and_X_L1000_Similarity": -0.0480165, "FDA_Category_D_and_X_Structural_Similarity": -0.453783, "FDA_Category_D_and_X_Weighted_Contribution": -0.532226, "FDA_Category_D_and_X_Top_Rank": -0.0926034, "Placenta_Crossing_L1000_Similarity": 0.211692, "Placenta_Crossing_Structural_Similarity": 0.705779, "Placenta_Crossing_Weighted_Contribution": 0.665785, "Placenta_Crossing_Top_Rank": -0.0630276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO", "InChI_key": "YNZFUWZUGRBMHL-UHFFFAOYSA-N" } }, "CID:9419": { "type": "Drug", "properties": { "id": "CID:9419", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9419", "label": "dibenzepin", "FDA_Category_D_L1000_Similarity": 1.20499, "FDA_Category_D_Structural_Similarity": -0.845556, "FDA_Category_D_Weighted_Contribution": -0.238911, "FDA_Category_D_Top_Rank": -0.0481807, "FDA_Category_X_L1000_Similarity": -0.841101, "FDA_Category_X_Structural_Similarity": -0.620589, "FDA_Category_X_Weighted_Contribution": -0.957728, "FDA_Category_X_Top_Rank": -0.0909669, "FDA_Category_D_and_X_L1000_Similarity": 0.783299, "FDA_Category_D_and_X_Structural_Similarity": -1.006, "FDA_Category_D_and_X_Weighted_Contribution": -0.597267, "FDA_Category_D_and_X_Top_Rank": -0.0784, "Placenta_Crossing_L1000_Similarity": 0.854799, "Placenta_Crossing_Structural_Similarity": -0.833995, "Placenta_Crossing_Weighted_Contribution": -0.473803, "Placenta_Crossing_Top_Rank": -0.0748448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C", "InChI_key": "QPGGEKPRGVJKQB-UHFFFAOYSA-N" } }, "CID:9429": { "type": "Drug", "properties": { "id": "CID:9429", "label": "thioproperazine", "lsm": "LSM-2170", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9429", "IDG_ID": "2635", "FDA_Category_D_L1000_Similarity": 0.538623, "FDA_Category_D_Structural_Similarity": -0.713152, "FDA_Category_D_Weighted_Contribution": -0.456716, "FDA_Category_D_Top_Rank": -0.0842856, "FDA_Category_X_L1000_Similarity": 1.73662, "FDA_Category_X_Structural_Similarity": -0.489042, "FDA_Category_X_Weighted_Contribution": 0.255755, "FDA_Category_X_Top_Rank": -0.0268433, "FDA_Category_D_and_X_L1000_Similarity": 0.991683, "FDA_Category_D_and_X_Structural_Similarity": -0.829923, "FDA_Category_D_and_X_Weighted_Contribution": -0.368105, "FDA_Category_D_and_X_Top_Rank": -0.0697184, "Placenta_Crossing_L1000_Similarity": 0.724163, "Placenta_Crossing_Structural_Similarity": 0.364845, "Placenta_Crossing_Weighted_Contribution": 0.581025, "Placenta_Crossing_Top_Rank": -0.0734419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C", "InChI_key": "VZYCZNZBPPHOFY-UHFFFAOYSA-N" } }, "CID:9549298": { "type": "Drug", "properties": { "id": "CID:9549298", "label": "ikk-16", "lsm": "LSM-2309", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9549298", "FDA_Category_D_L1000_Similarity": -2.1255, "FDA_Category_D_Structural_Similarity": 0.492922, "FDA_Category_D_Weighted_Contribution": -0.726042, "FDA_Category_D_Top_Rank": -0.0712826, "FDA_Category_X_L1000_Similarity": -0.293962, "FDA_Category_X_Structural_Similarity": -0.4245, "FDA_Category_X_Weighted_Contribution": -0.619383, "FDA_Category_X_Top_Rank": -0.0886258, "FDA_Category_D_and_X_L1000_Similarity": -1.92149, "FDA_Category_D_and_X_Structural_Similarity": 0.16218, "FDA_Category_D_and_X_Weighted_Contribution": -0.839196, "FDA_Category_D_and_X_Top_Rank": -0.0825072, "Placenta_Crossing_L1000_Similarity": -1.76415, "Placenta_Crossing_Structural_Similarity": 0.453233, "Placenta_Crossing_Weighted_Contribution": -0.506444, "Placenta_Crossing_Top_Rank": -0.0709649, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5", "InChI_key": "BWZJBXAPRCVCKQ-UHFFFAOYSA-N" } }, "CID:9549305": { "type": "Drug", "properties": { "id": "CID:9549305", "label": "pq-401", "lsm": "LSM-3505", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9549305", "FDA_Category_D_L1000_Similarity": -1.44774, "FDA_Category_D_Structural_Similarity": -0.778093, "FDA_Category_D_Weighted_Contribution": -1.2443, "FDA_Category_D_Top_Rank": -0.0963751, "FDA_Category_X_L1000_Similarity": -1.11145, "FDA_Category_X_Structural_Similarity": -0.0224946, "FDA_Category_X_Weighted_Contribution": -0.62495, "FDA_Category_X_Top_Rank": -0.0803436, "FDA_Category_D_and_X_L1000_Similarity": -1.5855, "FDA_Category_D_and_X_Structural_Similarity": -0.629721, "FDA_Category_D_and_X_Weighted_Contribution": -1.18226, "FDA_Category_D_and_X_Top_Rank": -0.0950103, "Placenta_Crossing_L1000_Similarity": -1.60161, "Placenta_Crossing_Structural_Similarity": -0.730266, "Placenta_Crossing_Weighted_Contribution": -1.20384, "Placenta_Crossing_Top_Rank": -0.0914009, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3=C(C=CC(=C3)Cl)OC", "InChI_key": "YBLWOZUPHDKFOT-UHFFFAOYSA-N" } }, "CID:9553856": { "type": "Drug", "properties": { "id": "CID:9553856", "label": "furaltadone", "lsm": "LSM-5034", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9553856", "FDA_Category_D_L1000_Similarity": -0.0366239, "FDA_Category_D_Structural_Similarity": 0.0175902, "FDA_Category_D_Weighted_Contribution": -0.116934, "FDA_Category_D_Top_Rank": -0.0847325, "FDA_Category_X_L1000_Similarity": -0.558411, "FDA_Category_X_Structural_Similarity": -0.688688, "FDA_Category_X_Weighted_Contribution": -0.909108, "FDA_Category_X_Top_Rank": -0.0902206, "FDA_Category_D_and_X_L1000_Similarity": -0.201158, "FDA_Category_D_and_X_Structural_Similarity": -0.357652, "FDA_Category_D_and_X_Weighted_Contribution": -0.524331, "FDA_Category_D_and_X_Top_Rank": -0.0924473, "Placenta_Crossing_L1000_Similarity": -0.0345153, "Placenta_Crossing_Structural_Similarity": 0.430371, "Placenta_Crossing_Weighted_Contribution": 0.2561, "Placenta_Crossing_Top_Rank": -0.0716391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:969472": { "type": "Drug", "properties": { "id": "CID:969472", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID969472", "label": "eszopiclone", "FDA_Category_D_L1000_Similarity": 0.107274, "FDA_Category_X_L1000_Similarity": 0.738783, "FDA_Category_D_and_X_L1000_Similarity": 0.316835, "Placenta_Crossing_L1000_Similarity": 0.207951, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl", "InChI_key": "GBBSUAFBMRNDJC-INIZCTEOSA-N" } }, "CID:9795867": { "type": "Drug", "properties": { "id": "CID:9795867", "label": "lfm-a12", "lsm": "LSM-1567", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9795867", "FDA_Category_D_L1000_Similarity": -0.502471, "FDA_Category_D_Structural_Similarity": -0.693596, "FDA_Category_D_Weighted_Contribution": -0.886228, "FDA_Category_D_Top_Rank": -0.0951461, "FDA_Category_X_L1000_Similarity": 2.10509, "FDA_Category_X_Structural_Similarity": -0.479737, "FDA_Category_X_Weighted_Contribution": 0.460446, "FDA_Category_X_Top_Rank": 0.0298498, "FDA_Category_D_and_X_L1000_Similarity": 0.206136, "FDA_Category_D_and_X_Structural_Similarity": -0.809381, "FDA_Category_D_and_X_Weighted_Contribution": -0.689332, "FDA_Category_D_and_X_Top_Rank": -0.0901372, "Placenta_Crossing_L1000_Similarity": 0.510063, "Placenta_Crossing_Structural_Similarity": -0.744324, "Placenta_Crossing_Weighted_Contribution": -0.540506, "Placenta_Crossing_Top_Rank": -0.0827976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C(C#N)C(=O)NC1=CC=C(C=C1)OC(F)(F)F", "InChI_key": "XXNKCLVHOZOIOC-UHFFFAOYSA-N" } }, "CID:9801969": { "type": "Drug", "properties": { "id": "CID:9801969", "label": "eo-1428", "lsm": "LSM-1228", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9801969", "FDA_Category_D_L1000_Similarity": -0.85157, "FDA_Category_D_Structural_Similarity": 0.337091, "FDA_Category_D_Weighted_Contribution": -0.257877, "FDA_Category_D_Top_Rank": -0.0761848, "FDA_Category_X_L1000_Similarity": -0.468608, "FDA_Category_X_Structural_Similarity": -0.0553915, "FDA_Category_X_Weighted_Contribution": -0.385797, "FDA_Category_X_Top_Rank": -0.0810421, "FDA_Category_D_and_X_L1000_Similarity": -0.876381, "FDA_Category_D_and_X_Structural_Similarity": 0.237665, "FDA_Category_D_and_X_Weighted_Contribution": -0.351278, "FDA_Category_D_and_X_Top_Rank": -0.0808567, "Placenta_Crossing_L1000_Similarity": -0.39036, "Placenta_Crossing_Structural_Similarity": -0.0762949, "Placenta_Crossing_Weighted_Contribution": -0.37155, "Placenta_Crossing_Top_Rank": -0.0837231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)N)Cl", "InChI_key": "HDCLCHNAEZNGNV-UHFFFAOYSA-N" } }, "CID:9804992": { "type": "Drug", "properties": { "id": "CID:9804992", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9804992", "label": "givinostat", "FDA_Category_D_L1000_Similarity": -1.20139, "FDA_Category_D_Structural_Similarity": -0.193699, "FDA_Category_D_Weighted_Contribution": -0.826576, "FDA_Category_D_Top_Rank": -0.0893444, "FDA_Category_X_L1000_Similarity": -1.80059, "FDA_Category_X_Structural_Similarity": -0.725528, "FDA_Category_X_Weighted_Contribution": -1.29258, "FDA_Category_X_Top_Rank": -0.0920106, "FDA_Category_D_and_X_L1000_Similarity": -1.58243, "FDA_Category_D_and_X_Structural_Similarity": -0.545234, "FDA_Category_D_and_X_Weighted_Contribution": -1.13893, "FDA_Category_D_and_X_Top_Rank": -0.0943657, "Placenta_Crossing_L1000_Similarity": -1.89059, "Placenta_Crossing_Structural_Similarity": 0.611159, "Placenta_Crossing_Weighted_Contribution": -0.431809, "Placenta_Crossing_Top_Rank": -0.0663049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO", "InChI_key": "YALNUENQHAQXEA-UHFFFAOYSA-N" } }, "CID:9819927": { "type": "Drug", "properties": { "id": "CID:9819927", "label": "ly-341495", "lsm": "LSM-3560", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9819927", "FDA_Category_D_L1000_Similarity": 0.951729, "FDA_Category_D_Structural_Similarity": 2.8157, "FDA_Category_D_Weighted_Contribution": 3.19532, "FDA_Category_D_Top_Rank": 0.186887, "FDA_Category_X_L1000_Similarity": 0.59003, "FDA_Category_X_Structural_Similarity": -0.720392, "FDA_Category_X_Weighted_Contribution": -0.500794, "FDA_Category_X_Top_Rank": -0.0811471, "FDA_Category_D_and_X_L1000_Similarity": 0.999578, "FDA_Category_D_and_X_Structural_Similarity": 1.84614, "FDA_Category_D_and_X_Weighted_Contribution": 2.31326, "FDA_Category_D_and_X_Top_Rank": 0.0188642, "Placenta_Crossing_L1000_Similarity": 1.73778, "Placenta_Crossing_Structural_Similarity": 1.44217, "Placenta_Crossing_Weighted_Contribution": 2.25527, "Placenta_Crossing_Top_Rank": -0.00999368, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O", "InChI_key": "VLZBRVJVCCNPRJ-KPHUOKFYSA-N" } }, "CID:9820008": { "type": "Drug", "properties": { "id": "CID:9820008", "label": "vidofludimus", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9820008", "FDA_Category_D_L1000_Similarity": 0.544938, "FDA_Category_D_Structural_Similarity": -0.719819, "FDA_Category_D_Weighted_Contribution": -0.459119, "FDA_Category_D_Top_Rank": -0.0841045, "FDA_Category_X_L1000_Similarity": -0.532106, "FDA_Category_X_Structural_Similarity": -0.494742, "FDA_Category_X_Weighted_Contribution": -0.763485, "FDA_Category_X_Top_Rank": -0.0897304, "FDA_Category_D_and_X_L1000_Similarity": 0.308143, "FDA_Category_D_and_X_Structural_Similarity": -0.83829, "FDA_Category_D_and_X_Weighted_Contribution": -0.669207, "FDA_Category_D_and_X_Top_Rank": -0.0888306, "Placenta_Crossing_L1000_Similarity": -0.0858624, "Placenta_Crossing_Structural_Similarity": -0.74421, "Placenta_Crossing_Weighted_Contribution": -0.760933, "Placenta_Crossing_Top_Rank": -0.0889074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F", "InChI_key": "XPRDUGXOWVXZLL-UHFFFAOYSA-N" } }, "CID:9829526": { "type": "Drug", "properties": { "id": "CID:9829526", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9829526", "label": "siramesine", "FDA_Category_D_L1000_Similarity": -0.0408142, "FDA_Category_D_Structural_Similarity": 0.426413, "FDA_Category_D_Weighted_Contribution": 0.27337, "FDA_Category_D_Top_Rank": -0.0735775, "FDA_Category_X_L1000_Similarity": 3.69808, "FDA_Category_X_Structural_Similarity": 0.0279492, "FDA_Category_X_Weighted_Contribution": 1.92577, "FDA_Category_X_Top_Rank": 2.9127, "FDA_Category_D_and_X_L1000_Similarity": 1.08785, "FDA_Category_D_and_X_Structural_Similarity": 0.353531, "FDA_Category_D_and_X_Weighted_Contribution": 0.817895, "FDA_Category_D_and_X_Top_Rank": -0.063526, "Placenta_Crossing_L1000_Similarity": 0.41069, "Placenta_Crossing_Structural_Similarity": -0.698246, "Placenta_Crossing_Weighted_Contribution": -0.543845, "Placenta_Crossing_Top_Rank": -0.0843235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F", "InChI_key": "XWAONOGAGZNUSF-UHFFFAOYSA-N" } }, "CID:9830392": { "type": "Drug", "properties": { "id": "CID:9830392", "label": "way-170523", "lsm": "LSM-2795", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9830392", "FDA_Category_D_L1000_Similarity": -2.59238, "FDA_Category_D_Structural_Similarity": 0.337402, "FDA_Category_D_Weighted_Contribution": -1.00569, "FDA_Category_D_Top_Rank": -0.0761595, "FDA_Category_X_L1000_Similarity": -1.70923, "FDA_Category_X_Structural_Similarity": -0.593312, "FDA_Category_X_Weighted_Contribution": -1.20036, "FDA_Category_X_Top_Rank": -0.0910019, "FDA_Category_D_and_X_L1000_Similarity": -2.75373, "FDA_Category_D_and_X_Structural_Similarity": -0.0523486, "FDA_Category_D_and_X_Weighted_Contribution": -1.21969, "FDA_Category_D_and_X_Top_Rank": -0.0873507, "Placenta_Crossing_L1000_Similarity": -3.8278, "Placenta_Crossing_Structural_Similarity": 1.39941, "Placenta_Crossing_Weighted_Contribution": -0.583926, "Placenta_Crossing_Top_Rank": -0.026702, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C", "InChI_key": "FARMEEAGJWMFSZ-UHFFFAOYSA-N" } }, "CID:9834591": { "type": "Drug", "properties": { "id": "CID:9834591", "label": "ly-2140023", "lsm": "LSM-5605", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9834591", "FDA_Category_D_L1000_Similarity": 0.848684, "FDA_Category_D_Structural_Similarity": 1.99103, "FDA_Category_D_Weighted_Contribution": 2.46509, "FDA_Category_D_Top_Rank": 0.0464091, "FDA_Category_X_L1000_Similarity": -0.395838, "FDA_Category_X_Structural_Similarity": -0.25462, "FDA_Category_X_Weighted_Contribution": -0.523585, "FDA_Category_X_Top_Rank": -0.0855971, "FDA_Category_D_and_X_L1000_Similarity": 0.611367, "FDA_Category_D_and_X_Structural_Similarity": 1.44292, "FDA_Category_D_and_X_Weighted_Contribution": 1.69309, "FDA_Category_D_and_X_Top_Rank": -0.0208995, "Placenta_Crossing_L1000_Similarity": 0.361143, "Placenta_Crossing_Structural_Similarity": 0.678947, "Placenta_Crossing_Weighted_Contribution": 0.717449, "Placenta_Crossing_Top_Rank": -0.0637268, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C2C(C2S1(=O)=O)C(=O)O)(C(=O)O)N", "InChI_key": "AVDUGNCTZRCAHH-MDASVERJSA-N" } }, "CID:9838712": { "type": "Drug", "properties": { "id": "CID:9838712", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9838712", "label": "reparixin", "FDA_Category_D_L1000_Similarity": 0.740248, "FDA_Category_D_Structural_Similarity": -0.929898, "FDA_Category_D_Weighted_Contribution": -0.535298, "FDA_Category_D_Top_Rank": -0.0782513, "FDA_Category_X_L1000_Similarity": 1.20363, "FDA_Category_X_Structural_Similarity": -0.382458, "FDA_Category_X_Weighted_Contribution": 0.092355, "FDA_Category_X_Top_Rank": -0.0639638, "FDA_Category_D_and_X_L1000_Similarity": 1.00362, "FDA_Category_D_and_X_Structural_Similarity": -0.944445, "FDA_Category_D_and_X_Weighted_Contribution": -0.45516, "FDA_Category_D_and_X_Top_Rank": -0.0688858, "Placenta_Crossing_L1000_Similarity": 0.755297, "Placenta_Crossing_Structural_Similarity": -0.898697, "Placenta_Crossing_Weighted_Contribution": -0.563486, "Placenta_Crossing_Top_Rank": -0.077532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1=CC=C(C=C1)C(C)C(=O)NS(=O)(=O)C", "InChI_key": "KQDRVXQXKZXMHP-LLVKDONJSA-N" } }, "CID:9839311": { "type": "Drug", "properties": { "id": "CID:9839311", "label": "A-205804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9839311", "FDA_Category_D_L1000_Similarity": 1.21737, "FDA_Category_D_Structural_Similarity": -0.182627, "FDA_Category_D_Weighted_Contribution": 0.40309, "FDA_Category_D_Top_Rank": -0.0472176, "FDA_Category_X_L1000_Similarity": -0.156155, "FDA_Category_X_Structural_Similarity": -0.687758, "FDA_Category_X_Weighted_Contribution": -0.767065, "FDA_Category_X_Top_Rank": -0.0885414, "FDA_Category_D_and_X_L1000_Similarity": 1.00197, "FDA_Category_D_and_X_Structural_Similarity": -0.516065, "FDA_Category_D_and_X_Weighted_Contribution": -0.0923851, "FDA_Category_D_and_X_Top_Rank": -0.0690073, "Placenta_Crossing_L1000_Similarity": 0.987412, "Placenta_Crossing_Structural_Similarity": -0.653832, "Placenta_Crossing_Weighted_Contribution": -0.269036, "Placenta_Crossing_Top_Rank": -0.0708677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9839842": { "type": "Drug", "properties": { "id": "CID:9839842", "label": "maz-51", "lsm": "LSM-4149", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9839842", "FDA_Category_D_L1000_Similarity": -0.282976, "FDA_Category_D_Structural_Similarity": 1.75165, "FDA_Category_D_Weighted_Contribution": 1.54041, "FDA_Category_D_Top_Rank": 0.0128758, "FDA_Category_X_L1000_Similarity": 0.133338, "FDA_Category_X_Structural_Similarity": 0.355799, "FDA_Category_X_Weighted_Contribution": 0.300099, "FDA_Category_X_Top_Rank": -0.0674306, "FDA_Category_D_and_X_L1000_Similarity": -0.203441, "FDA_Category_D_and_X_Structural_Similarity": 1.5823, "FDA_Category_D_and_X_Weighted_Contribution": 1.35706, "FDA_Category_D_and_X_Top_Rank": -0.00766377, "Placenta_Crossing_L1000_Similarity": -0.27043, "Placenta_Crossing_Structural_Similarity": -0.335466, "Placenta_Crossing_Weighted_Contribution": -0.530529, "Placenta_Crossing_Top_Rank": -0.0879509, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C2=CC=CC=C21)C=C3C4=CC=CC=C4NC3=O", "InChI_key": "VFCXONOPGCDDBQ-AQTBWJFISA-N" } }, "CID:9844347": { "type": "Drug", "properties": { "id": "CID:9844347", "label": "cfm-1571", "lsm": "LSM-3437", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9844347", "FDA_Category_D_L1000_Similarity": -0.373307, "FDA_Category_D_Structural_Similarity": -0.83661, "FDA_Category_D_Weighted_Contribution": -0.929117, "FDA_Category_D_Top_Rank": -0.0945889, "FDA_Category_X_L1000_Similarity": 1.95006, "FDA_Category_X_Structural_Similarity": -0.2515, "FDA_Category_X_Weighted_Contribution": 0.624209, "FDA_Category_X_Top_Rank": 0.00390319, "FDA_Category_D_and_X_L1000_Similarity": 0.270403, "FDA_Category_D_and_X_Structural_Similarity": -0.799737, "FDA_Category_D_and_X_Weighted_Contribution": -0.656714, "FDA_Category_D_and_X_Top_Rank": -0.089372, "Placenta_Crossing_L1000_Similarity": -0.385857, "Placenta_Crossing_Structural_Similarity": -0.918376, "Placenta_Crossing_Weighted_Contribution": -0.970805, "Placenta_Crossing_Top_Rank": -0.09039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)OC)CC3=CC=CC=C3", "InChI_key": "YZCSJBGQLATPMH-UHFFFAOYSA-N" } }, "CID:9846332": { "type": "Drug", "properties": { "id": "CID:9846332", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9846332", "label": "halometasone", "FDA_Category_D_L1000_Similarity": -0.747761, "FDA_Category_D_Structural_Similarity": -0.934697, "FDA_Category_D_Weighted_Contribution": -1.11474, "FDA_Category_D_Top_Rank": -0.0958452, "FDA_Category_X_L1000_Similarity": 1.06643, "FDA_Category_X_Structural_Similarity": -0.588374, "FDA_Category_X_Weighted_Contribution": -0.17368, "FDA_Category_X_Top_Rank": -0.0693488, "FDA_Category_D_and_X_L1000_Similarity": -0.320731, "FDA_Category_D_and_X_Structural_Similarity": -1.05937, "FDA_Category_D_and_X_Weighted_Contribution": -1.03515, "FDA_Category_D_and_X_Top_Rank": -0.0943182, "Placenta_Crossing_L1000_Similarity": -0.396003, "Placenta_Crossing_Structural_Similarity": -1.04236, "Placenta_Crossing_Weighted_Contribution": -1.04596, "Placenta_Crossing_Top_Rank": -0.0904258, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CC(C4=CC(=O)C(=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)Cl)F", "InChI_key": "GGXMRPUKBWXVHE-MIHLVHIWSA-N" } }, "CID:9848818": { "type": "Drug", "properties": { "id": "CID:9848818", "label": "tauroursodeoxycholic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9848818", "FDA_Category_D_L1000_Similarity": 0.599353, "FDA_Category_D_Structural_Similarity": -0.805179, "FDA_Category_D_Weighted_Contribution": -0.502011, "FDA_Category_D_Top_Rank": -0.0826743, "FDA_Category_X_L1000_Similarity": 0.409034, "FDA_Category_X_Structural_Similarity": 0.192402, "FDA_Category_X_Weighted_Contribution": 0.273546, "FDA_Category_X_Top_Rank": -0.0735064, "FDA_Category_D_and_X_L1000_Similarity": 0.640865, "FDA_Category_D_and_X_Structural_Similarity": -0.535262, "FDA_Category_D_and_X_Weighted_Contribution": -0.286323, "FDA_Category_D_and_X_Top_Rank": -0.0826385, "Placenta_Crossing_L1000_Similarity": 0.795234, "Placenta_Crossing_Structural_Similarity": 1.23463, "Placenta_Crossing_Weighted_Contribution": 1.55152, "Placenta_Crossing_Top_Rank": -0.0377581, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C", "InChI_key": "BHTRKEVKTKCXOH-LBSADWJPSA-N" } }, "CID:9867812": { "type": "Drug", "properties": { "id": "CID:9867812", "label": "remimazolam", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9867812", "FDA_Category_D_L1000_Similarity": 0.756616, "FDA_Category_D_Structural_Similarity": 0.18469, "FDA_Category_D_Weighted_Contribution": 0.504001, "FDA_Category_D_Top_Rank": -0.0775986, "FDA_Category_X_L1000_Similarity": 0.629687, "FDA_Category_X_Structural_Similarity": -0.368368, "FDA_Category_X_Weighted_Contribution": -0.172318, "FDA_Category_X_Top_Rank": -0.0805697, "FDA_Category_D_and_X_L1000_Similarity": 0.843442, "FDA_Category_D_and_X_Structural_Similarity": -0.0521795, "FDA_Category_D_and_X_Weighted_Contribution": 0.261678, "FDA_Category_D_and_X_Top_Rank": -0.0762371, "Placenta_Crossing_L1000_Similarity": 0.458393, "Placenta_Crossing_Structural_Similarity": 1.20474, "Placenta_Crossing_Weighted_Contribution": 1.33567, "Placenta_Crossing_Top_Rank": -0.0394698, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CCC(=O)OC)C4=CC=CC=N4", "InChI_key": "CYHWMBVXXDIZNZ-KRWDZBQOSA-N" } }, "CID:9872740": { "type": "Drug", "properties": { "id": "CID:9872740", "label": "l-692585", "lsm": "LSM-3566", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9872740", "FDA_Category_D_L1000_Similarity": 0.863153, "FDA_Category_D_Structural_Similarity": 0.3339, "FDA_Category_D_Weighted_Contribution": 0.727684, "FDA_Category_D_Top_Rank": -0.0731454, "FDA_Category_X_L1000_Similarity": 1.84036, "FDA_Category_X_Structural_Similarity": 0.130166, "FDA_Category_X_Weighted_Contribution": 0.989413, "FDA_Category_X_Top_Rank": -0.0143318, "FDA_Category_D_and_X_L1000_Similarity": 1.30294, "FDA_Category_D_and_X_Structural_Similarity": 0.335258, "FDA_Category_D_and_X_Weighted_Contribution": 0.926428, "FDA_Category_D_and_X_Top_Rank": -0.0467506, "Placenta_Crossing_L1000_Similarity": 1.2446, "Placenta_Crossing_Structural_Similarity": -0.272313, "Placenta_Crossing_Weighted_Contribution": 0.20315, "Placenta_Crossing_Top_Rank": -0.0593428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CNC(C)(C)CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O", "InChI_key": "AYBCFPXLXOLPIZ-JIPXPUAJSA-N" } }, "CID:9882625": { "type": "Drug", "properties": { "id": "CID:9882625", "label": "psb-11", "lsm": "LSM-2213", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9882625", "FDA_Category_D_L1000_Similarity": 0.12785, "FDA_Category_D_Structural_Similarity": -0.695881, "FDA_Category_D_Weighted_Contribution": -0.630657, "FDA_Category_D_Top_Rank": -0.0909707, "FDA_Category_X_L1000_Similarity": 0.368678, "FDA_Category_X_Structural_Similarity": 0.823541, "FDA_Category_X_Weighted_Contribution": 0.940702, "FDA_Category_X_Top_Rank": -0.0490074, "FDA_Category_D_and_X_L1000_Similarity": 0.222169, "FDA_Category_D_and_X_Structural_Similarity": -0.107951, "FDA_Category_D_and_X_Weighted_Contribution": -0.118466, "FDA_Category_D_and_X_Top_Rank": -0.0884773, "Placenta_Crossing_L1000_Similarity": 0.529835, "Placenta_Crossing_Structural_Similarity": -0.465905, "Placenta_Crossing_Weighted_Contribution": -0.306807, "Placenta_Crossing_Top_Rank": -0.0824189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1CN2C(=N1)C3=C(N=C(N3)C4=CC=CC=C4)N(C2=O)C", "InChI_key": "RGDHRCXUMURWBJ-LLVKDONJSA-N" } }, "CID:9882972": { "type": "Drug", "properties": { "id": "CID:9882972", "label": "bms-564929", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9882972", "FDA_Category_D_L1000_Similarity": 0.117285, "FDA_Category_D_Structural_Similarity": -0.804291, "FDA_Category_D_Weighted_Contribution": -0.714533, "FDA_Category_D_Top_Rank": -0.091088, "FDA_Category_X_L1000_Similarity": 0.157955, "FDA_Category_X_Structural_Similarity": 0.0736258, "FDA_Category_X_Weighted_Contribution": 0.0255475, "FDA_Category_X_Top_Rank": -0.0778827, "FDA_Category_D_and_X_L1000_Similarity": 0.149076, "FDA_Category_D_and_X_Structural_Similarity": -0.598648, "FDA_Category_D_and_X_Weighted_Contribution": -0.55841, "FDA_Category_D_and_X_Top_Rank": -0.0908082, "Placenta_Crossing_L1000_Similarity": 0.184427, "Placenta_Crossing_Structural_Similarity": 0.198946, "Placenta_Crossing_Weighted_Contribution": 0.1384, "Placenta_Crossing_Top_Rank": -0.077761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1Cl)C#N)N2C(=O)C3C(CCN3C2=O)O", "InChI_key": "KEJORAMIZFOODM-PWSUYJOCSA-N" } }, "CID:9885087": { "type": "Drug", "properties": { "id": "CID:9885087", "label": "tas-301", "lsm": "LSM-3234", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9885087", "FDA_Category_D_L1000_Similarity": -0.153655, "FDA_Category_D_Structural_Similarity": 3.57614, "FDA_Category_D_Weighted_Contribution": 3.27316, "FDA_Category_D_Top_Rank": 0.383509, "FDA_Category_X_L1000_Similarity": -0.319958, "FDA_Category_X_Structural_Similarity": 0.154836, "FDA_Category_X_Weighted_Contribution": -0.127171, "FDA_Category_X_Top_Rank": -0.0750761, "FDA_Category_D_and_X_L1000_Similarity": -0.229621, "FDA_Category_D_and_X_Structural_Similarity": 2.92198, "FDA_Category_D_and_X_Weighted_Contribution": 2.6599, "FDA_Category_D_and_X_Top_Rank": 0.185491, "Placenta_Crossing_L1000_Similarity": 0.0312352, "Placenta_Crossing_Structural_Similarity": 0.198779, "Placenta_Crossing_Weighted_Contribution": 0.0638396, "Placenta_Crossing_Top_Rank": -0.0777688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC", "InChI_key": "KUEYYIJXBRWZIB-UHFFFAOYSA-N" } }, "CID:9886498": { "type": "Drug", "properties": { "id": "CID:9886498", "label": "hu-211", "lsm": "LSM-4978", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9886498", "FDA_Category_D_L1000_Similarity": 0.0423598, "FDA_Category_X_L1000_Similarity": -1.84781, "FDA_Category_D_and_X_L1000_Similarity": -0.524635, "Placenta_Crossing_L1000_Similarity": -1.03373, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCC(C)(C)C1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)CO)O", "InChI_key": "SSQJFGMEZBFMNV-XJDOXCRVSA-N" } }, "CID:9887884": { "type": "Drug", "properties": { "id": "CID:9887884", "label": "dmp-543", "lsm": "LSM-3999", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9887884", "FDA_Category_D_L1000_Similarity": -0.116222, "FDA_Category_D_Structural_Similarity": 0.431728, "FDA_Category_D_Weighted_Contribution": 0.23453, "FDA_Category_D_Top_Rank": -0.0733938, "FDA_Category_X_L1000_Similarity": 0.551107, "FDA_Category_X_Structural_Similarity": -0.375323, "FDA_Category_X_Weighted_Contribution": -0.215269, "FDA_Category_X_Top_Rank": -0.0817845, "FDA_Category_D_and_X_L1000_Similarity": 0.0671791, "FDA_Category_D_and_X_Structural_Similarity": 0.140145, "FDA_Category_D_and_X_Weighted_Contribution": 0.0289303, "FDA_Category_D_and_X_Top_Rank": -0.0830576, "Placenta_Crossing_L1000_Similarity": -0.0713246, "Placenta_Crossing_Structural_Similarity": 0.206408, "Placenta_Crossing_Weighted_Contribution": 0.0219273, "Placenta_Crossing_Top_Rank": -0.077532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC(=NC=C4)F)CC5=CC(=NC=C5)F", "InChI_key": "MUJBUUDUXGDXLW-UHFFFAOYSA-N" } }, "CID:9888030": { "type": "Drug", "properties": { "id": "CID:9888030", "label": "nnc-05-2090", "lsm": "LSM-3905", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9888030", "FDA_Category_D_L1000_Similarity": -0.623439, "FDA_Category_D_Structural_Similarity": -0.841059, "FDA_Category_D_Weighted_Contribution": -1.02072, "FDA_Category_D_Top_Rank": -0.0955228, "FDA_Category_X_L1000_Similarity": 1.65716, "FDA_Category_X_Structural_Similarity": -0.648636, "FDA_Category_X_Weighted_Contribution": 0.053212, "FDA_Category_X_Top_Rank": -0.034281, "FDA_Category_D_and_X_L1000_Similarity": -0.0341643, "FDA_Category_D_and_X_Structural_Similarity": -1.01756, "FDA_Category_D_and_X_Weighted_Contribution": -0.916066, "FDA_Category_D_and_X_Top_Rank": -0.0924863, "Placenta_Crossing_L1000_Similarity": -1.36963, "Placenta_Crossing_Structural_Similarity": -0.767351, "Placenta_Crossing_Weighted_Contribution": -1.16356, "Placenta_Crossing_Top_Rank": -0.0915912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1C2(CCN(CC2)CCCN3C4=CC=CC=C4C5=CC=CC=C53)O", "InChI_key": "XZZYCJOGZYEPPW-UHFFFAOYSA-N" } }, "CID:9891901": { "type": "Drug", "properties": { "id": "CID:9891901", "label": "ngb-2904", "lsm": "LSM-2087", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9891901", "FDA_Category_D_L1000_Similarity": 1.01422, "FDA_Category_D_Structural_Similarity": -0.818768, "FDA_Category_D_Weighted_Contribution": -0.312619, "FDA_Category_D_Top_Rank": -0.0645663, "FDA_Category_X_L1000_Similarity": 0.53299, "FDA_Category_X_Structural_Similarity": 0.816618, "FDA_Category_X_Weighted_Contribution": 1.02596, "FDA_Category_X_Top_Rank": -0.049315, "FDA_Category_D_and_X_L1000_Similarity": 1.03613, "FDA_Category_D_and_X_Structural_Similarity": -0.209223, "FDA_Category_D_and_X_Weighted_Contribution": 0.213721, "FDA_Category_D_and_X_Top_Rank": -0.0669082, "Placenta_Crossing_L1000_Similarity": 0.516292, "Placenta_Crossing_Structural_Similarity": 0.190575, "Placenta_Crossing_Weighted_Contribution": 0.295478, "Placenta_Crossing_Top_Rank": -0.0780155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCCNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=C(C(=CC=C5)Cl)Cl", "InChI_key": "YJPWVCIGSHWNON-UHFFFAOYSA-N" } }, "CID:9903757": { "type": "Drug", "properties": { "id": "CID:9903757", "label": "bay-36-7620", "lsm": "LSM-3218", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9903757", "FDA_Category_D_L1000_Similarity": -0.0555222, "FDA_Category_D_Structural_Similarity": -0.537204, "FDA_Category_D_Weighted_Contribution": -0.591922, "FDA_Category_D_Top_Rank": -0.0926719, "FDA_Category_X_L1000_Similarity": 1.64935, "FDA_Category_X_Structural_Similarity": 1.39605, "FDA_Category_X_Weighted_Contribution": 2.29453, "FDA_Category_X_Top_Rank": -0.0148449, "FDA_Category_D_and_X_L1000_Similarity": 0.453019, "FDA_Category_D_and_X_Structural_Similarity": 0.326917, "FDA_Category_D_and_X_Weighted_Contribution": 0.421458, "FDA_Category_D_and_X_Top_Rank": -0.0787338, "Placenta_Crossing_L1000_Similarity": 0.481025, "Placenta_Crossing_Structural_Similarity": -0.711959, "Placenta_Crossing_Weighted_Contribution": -0.526865, "Placenta_Crossing_Top_Rank": -0.0832933, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=C1CC2COC(=O)C2(C1)CC3=CC4=CC=CC=C4C=C3", "InChI_key": "CVIRWLJKDBYYOG-MJGOQNOKSA-N" } }, "CID:9905190": { "type": "Drug", "properties": { "id": "CID:9905190", "label": "cdc", "lsm": "LSM-2222", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9905190", "FDA_Category_D_L1000_Similarity": -0.566708, "FDA_Category_D_Structural_Similarity": 0.132988, "FDA_Category_D_Weighted_Contribution": -0.290265, "FDA_Category_D_Top_Rank": -0.0816487, "FDA_Category_X_L1000_Similarity": 0.69545, "FDA_Category_X_Structural_Similarity": 5.0982, "FDA_Category_X_Weighted_Contribution": 4.31259, "FDA_Category_X_Top_Rank": 1.08012, "FDA_Category_D_and_X_L1000_Similarity": -0.277317, "FDA_Category_D_and_X_Structural_Similarity": 2.85652, "FDA_Category_D_and_X_Weighted_Contribution": 2.58057, "FDA_Category_D_and_X_Top_Rank": 0.166527, "Placenta_Crossing_L1000_Similarity": -0.311636, "Placenta_Crossing_Structural_Similarity": 0.541894, "Placenta_Crossing_Weighted_Contribution": 0.227414, "Placenta_Crossing_Top_Rank": -0.0684596, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C=CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N", "InChI_key": "XGHYFEJMJXGPGN-CHLGNXTCSA-N" } }, "CID:9907093": { "type": "Drug", "properties": { "id": "CID:9907093", "label": "tgx-221", "lsm": "LSM-1172", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9907093", "FDA_Category_D_L1000_Similarity": -0.607232, "FDA_Category_D_Structural_Similarity": -0.833336, "FDA_Category_D_Weighted_Contribution": -1.01058, "FDA_Category_D_Top_Rank": -0.0954751, "FDA_Category_X_L1000_Similarity": 0.870273, "FDA_Category_X_Structural_Similarity": 0.629363, "FDA_Category_X_Weighted_Contribution": 1.00501, "FDA_Category_X_Top_Rank": -0.0566564, "FDA_Category_D_and_X_L1000_Similarity": -0.259158, "FDA_Category_D_and_X_Structural_Similarity": -0.321828, "FDA_Category_D_and_X_Weighted_Contribution": -0.521784, "FDA_Category_D_and_X_Top_Rank": -0.0920201, "Placenta_Crossing_L1000_Similarity": 0.681845, "Placenta_Crossing_Structural_Similarity": 0.764212, "Placenta_Crossing_Weighted_Contribution": 0.982276, "Placenta_Crossing_Top_Rank": -0.0608276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4", "InChI_key": "CPRAGQJXBLMUEL-UHFFFAOYSA-N" } }, "CID:9912992": { "type": "Drug", "properties": { "id": "CID:9912992", "label": "SPP-301", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9912992", "FDA_Category_D_L1000_Similarity": 1.2807, "FDA_Category_D_Structural_Similarity": -0.293032, "FDA_Category_D_Weighted_Contribution": 0.328268, "FDA_Category_D_Top_Rank": -0.039469, "FDA_Category_X_L1000_Similarity": 1.20236, "FDA_Category_X_Structural_Similarity": 3.24128, "FDA_Category_X_Weighted_Contribution": 3.64697, "FDA_Category_X_Top_Rank": 0.273216, "FDA_Category_D_and_X_L1000_Similarity": 1.46912, "FDA_Category_D_and_X_Structural_Similarity": 1.5164, "FDA_Category_D_and_X_Weighted_Contribution": 2.25017, "FDA_Category_D_and_X_Top_Rank": -0.0133269, "Placenta_Crossing_L1000_Similarity": 0.878914, "Placenta_Crossing_Structural_Similarity": -0.117684, "Placenta_Crossing_Weighted_Contribution": 0.172997, "Placenta_Crossing_Top_Rank": -0.0742068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9913": { "type": "Drug", "properties": { "id": "CID:9913", "label": "xanthinol", "lsm": "LSM-4950", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9913", "FDA_Category_D_L1000_Similarity": 0.318063, "FDA_Category_D_Structural_Similarity": 0.358218, "FDA_Category_D_Weighted_Contribution": 0.417715, "FDA_Category_D_Top_Rank": -0.0754308, "FDA_Category_X_L1000_Similarity": 0.65749, "FDA_Category_X_Structural_Similarity": 0.340289, "FDA_Category_X_Weighted_Contribution": 0.563992, "FDA_Category_X_Top_Rank": -0.0680705, "FDA_Category_D_and_X_L1000_Similarity": 0.473841, "FDA_Category_D_and_X_Structural_Similarity": 0.467941, "FDA_Category_D_and_X_Weighted_Contribution": 0.577541, "FDA_Category_D_and_X_Top_Rank": -0.0749656, "Placenta_Crossing_L1000_Similarity": 0.560851, "Placenta_Crossing_Structural_Similarity": 0.717522, "Placenta_Crossing_Weighted_Contribution": 0.866279, "Placenta_Crossing_Top_Rank": -0.0624903, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O", "InChI_key": "DSFGXPJYDCSWTA-UHFFFAOYSA-N" } }, "CID:9914412": { "type": "Drug", "properties": { "id": "CID:9914412", "label": "zm-447439", "lsm": "LSM-1096", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9914412", "FDA_Category_D_L1000_Similarity": 0.711173, "FDA_Category_D_Structural_Similarity": 1.29814, "FDA_Category_D_Weighted_Contribution": 1.67933, "FDA_Category_D_Top_Rank": -0.0341956, "FDA_Category_X_L1000_Similarity": -0.493679, "FDA_Category_X_Structural_Similarity": -0.095672, "FDA_Category_X_Weighted_Contribution": -0.431332, "FDA_Category_X_Top_Rank": -0.0821802, "FDA_Category_D_and_X_L1000_Similarity": 0.463118, "FDA_Category_D_and_X_Structural_Similarity": 0.978723, "FDA_Category_D_and_X_Weighted_Contribution": 1.11088, "FDA_Category_D_and_X_Top_Rank": -0.0543834, "Placenta_Crossing_L1000_Similarity": 0.0220665, "Placenta_Crossing_Structural_Similarity": 0.17122, "Placenta_Crossing_Weighted_Contribution": 0.0333897, "Placenta_Crossing_Top_Rank": -0.0785062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5", "InChI_key": "OGNYUTNQZVRGMN-UHFFFAOYSA-N" } }, "CID:9918": { "type": "Drug", "properties": { "id": "CID:9918", "label": "norcyclobenzaprine", "lsm": "LSM-3403", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9918", "FDA_Category_D_L1000_Similarity": -0.143257, "FDA_Category_D_Structural_Similarity": -0.621211, "FDA_Category_D_Weighted_Contribution": -0.692561, "FDA_Category_D_Top_Rank": -0.0933273, "FDA_Category_X_L1000_Similarity": 0.354427, "FDA_Category_X_Structural_Similarity": -0.546079, "FDA_Category_X_Weighted_Contribution": -0.453462, "FDA_Category_X_Top_Rank": -0.0843417, "FDA_Category_D_and_X_L1000_Similarity": -0.0158553, "FDA_Category_D_and_X_Structural_Similarity": -0.787726, "FDA_Category_D_and_X_Weighted_Contribution": -0.760657, "FDA_Category_D_and_X_Top_Rank": -0.0923287, "Placenta_Crossing_L1000_Similarity": -0.163963, "Placenta_Crossing_Structural_Similarity": -0.445611, "Placenta_Crossing_Weighted_Contribution": -0.573578, "Placenta_Crossing_Top_Rank": -0.0891902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31", "InChI_key": "XECQQDXTQRYYBH-UHFFFAOYSA-N" } }, "CID:992": { "type": "Drug", "properties": { "id": "CID:992", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID992", "label": "Pentachlorophenol", "FDA_Category_D_L1000_Similarity": -1.12154, "FDA_Category_D_Structural_Similarity": 0.7682, "FDA_Category_D_Weighted_Contribution": -0.00999248, "FDA_Category_D_Top_Rank": -0.0615504, "FDA_Category_X_L1000_Similarity": -1.09965, "FDA_Category_X_Structural_Similarity": 1.99519, "FDA_Category_X_Weighted_Contribution": 1.4381, "FDA_Category_X_Top_Rank": 0.0413495, "FDA_Category_D_and_X_L1000_Similarity": -1.30073, "FDA_Category_D_and_X_Structural_Similarity": 1.68633, "FDA_Category_D_and_X_Weighted_Contribution": 0.811377, "FDA_Category_D_and_X_Top_Rank": 0.00289482, "Placenta_Crossing_L1000_Similarity": -1.53909, "Placenta_Crossing_Structural_Similarity": 0.46423, "Placenta_Crossing_Weighted_Contribution": -0.406294, "Placenta_Crossing_Top_Rank": -0.0705579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9926048": { "type": "Drug", "properties": { "id": "CID:9926048", "label": "dmab-anabaseine", "lsm": "LSM-2583", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9926048", "FDA_Category_D_L1000_Similarity": 0.530666, "FDA_Category_D_Structural_Similarity": 1.62262, "FDA_Category_D_Weighted_Contribution": 1.91161, "FDA_Category_D_Top_Rank": -0.00274061, "FDA_Category_X_L1000_Similarity": 0.314134, "FDA_Category_X_Structural_Similarity": -0.327449, "FDA_Category_X_Weighted_Contribution": -0.279783, "FDA_Category_X_Top_Rank": -0.0847855, "FDA_Category_D_and_X_L1000_Similarity": 0.552837, "FDA_Category_D_and_X_Structural_Similarity": 1.1112, "FDA_Category_D_and_X_Weighted_Contribution": 1.30664, "FDA_Category_D_and_X_Top_Rank": -0.0453362, "Placenta_Crossing_L1000_Similarity": 0.696619, "Placenta_Crossing_Structural_Similarity": -0.792403, "Placenta_Crossing_Weighted_Contribution": -0.504305, "Placenta_Crossing_Top_Rank": -0.0789772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C=C1)C=C2CCCN=C2C3=CN=CC=C3", "InChI_key": "KHUUTHZSRXABAC-DTQAZKPQSA-N" } }, "CID:9926832": { "type": "Drug", "properties": { "id": "CID:9926832", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9926832", "label": "mavoglurant", "FDA_Category_D_L1000_Similarity": 0.0264282, "FDA_Category_D_Structural_Similarity": -0.626149, "FDA_Category_D_Weighted_Contribution": -0.622908, "FDA_Category_D_Top_Rank": -0.0919662, "FDA_Category_X_L1000_Similarity": 0.510905, "FDA_Category_X_Structural_Similarity": 0.19201, "FDA_Category_X_Weighted_Contribution": 0.326477, "FDA_Category_X_Top_Rank": -0.0735284, "FDA_Category_D_and_X_L1000_Similarity": 0.177926, "FDA_Category_D_and_X_Structural_Similarity": -0.393375, "FDA_Category_D_and_X_Weighted_Contribution": -0.384173, "FDA_Category_D_and_X_Top_Rank": -0.0905063, "Placenta_Crossing_L1000_Similarity": 0.144931, "Placenta_Crossing_Structural_Similarity": 0.95699, "Placenta_Crossing_Weighted_Contribution": 0.896764, "Placenta_Crossing_Top_Rank": -0.052282, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)C#CC2(CCCC3C2CCN3C(=O)OC)O", "InChI_key": "ZFPZEYHRWGMJCV-ZHALLVOQSA-N" } }, "CID:9926999": { "type": "Drug", "properties": { "id": "CID:9926999", "label": "ly-456236", "lsm": "LSM-3955", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9926999", "FDA_Category_D_L1000_Similarity": 0.0813145, "FDA_Category_D_Structural_Similarity": 1.12773, "FDA_Category_D_Weighted_Contribution": 1.09184, "FDA_Category_D_Top_Rank": -0.0448335, "FDA_Category_X_L1000_Similarity": -0.30942, "FDA_Category_X_Structural_Similarity": -0.521639, "FDA_Category_X_Weighted_Contribution": -0.700464, "FDA_Category_X_Top_Rank": -0.0893264, "FDA_Category_D_and_X_L1000_Similarity": -0.02386, "FDA_Category_D_and_X_Structural_Similarity": 0.613616, "FDA_Category_D_and_X_Weighted_Contribution": 0.441073, "FDA_Category_D_and_X_Top_Rank": -0.0703447, "Placenta_Crossing_L1000_Similarity": 0.120612, "Placenta_Crossing_Structural_Similarity": -0.672094, "Placenta_Crossing_Weighted_Contribution": -0.634991, "Placenta_Crossing_Top_Rank": -0.0873538, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OC", "InChI_key": "XPJOMFBGKIABQW-UHFFFAOYSA-N" } }, "CID:9934458": { "type": "Drug", "properties": { "id": "CID:9934458", "label": "gw-0742", "lsm": "LSM-3867", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9934458", "FDA_Category_D_L1000_Similarity": 0.229958, "FDA_Category_D_Structural_Similarity": -0.829097, "FDA_Category_D_Weighted_Contribution": -0.68482, "FDA_Category_D_Top_Rank": -0.0898329, "FDA_Category_X_L1000_Similarity": 1.89002, "FDA_Category_X_Structural_Similarity": -0.637364, "FDA_Category_X_Weighted_Contribution": 0.182037, "FDA_Category_X_Top_Rank": -0.00718757, "FDA_Category_D_and_X_L1000_Similarity": 0.772189, "FDA_Category_D_and_X_Structural_Similarity": -1.00198, "FDA_Category_D_and_X_Weighted_Contribution": -0.598913, "FDA_Category_D_and_X_Top_Rank": -0.0787081, "Placenta_Crossing_L1000_Similarity": 1.43604, "Placenta_Crossing_Structural_Similarity": -0.948674, "Placenta_Crossing_Weighted_Contribution": -0.326297, "Placenta_Crossing_Top_Rank": -0.0454474, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC(=C(C=C3)C(F)(F)F)F)C)OCC(=O)O", "InChI_key": "HWVNEWGKWRGSRK-UHFFFAOYSA-N" } }, "CID:9935681": { "type": "Drug", "properties": { "id": "CID:9935681", "label": "firategrast", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9935681", "FDA_Category_D_L1000_Similarity": 0.84367, "FDA_Category_D_Structural_Similarity": 1.21008, "FDA_Category_D_Weighted_Contribution": 1.66808, "FDA_Category_D_Top_Rank": -0.0396099, "FDA_Category_X_L1000_Similarity": 0.319471, "FDA_Category_X_Structural_Similarity": 1.57726, "FDA_Category_X_Weighted_Contribution": 1.76865, "FDA_Category_X_Top_Rank": -0.00387812, "FDA_Category_D_and_X_L1000_Similarity": 0.824271, "FDA_Category_D_and_X_Structural_Similarity": 1.81154, "FDA_Category_D_and_X_Weighted_Contribution": 2.18633, "FDA_Category_D_and_X_Top_Rank": 0.0165785, "Placenta_Crossing_L1000_Similarity": 0.952721, "Placenta_Crossing_Structural_Similarity": -0.222357, "Placenta_Crossing_Weighted_Contribution": 0.108046, "Placenta_Crossing_Top_Rank": -0.072117, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC", "InChI_key": "YLFZHHDVRSYTKT-NRFANRHFSA-N" } }, "CID:9950038": { "type": "Drug", "properties": { "id": "CID:9950038", "label": "sb-205607", "lsm": "LSM-1317", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9950038", "FDA_Category_D_L1000_Similarity": -0.205569, "FDA_Category_D_Structural_Similarity": 0.16395, "FDA_Category_D_Weighted_Contribution": -0.0733315, "FDA_Category_D_Top_Rank": -0.0809432, "FDA_Category_X_L1000_Similarity": -0.31355, "FDA_Category_X_Structural_Similarity": -0.549032, "FDA_Category_X_Weighted_Contribution": -0.722662, "FDA_Category_X_Top_Rank": -0.0893415, "FDA_Category_D_and_X_L1000_Similarity": -0.272418, "FDA_Category_D_and_X_Structural_Similarity": -0.166126, "FDA_Category_D_and_X_Weighted_Contribution": -0.404663, "FDA_Category_D_and_X_Top_Rank": -0.0896087, "Placenta_Crossing_L1000_Similarity": 0.105939, "Placenta_Crossing_Structural_Similarity": -0.927392, "Placenta_Crossing_Weighted_Contribution": -0.818974, "Placenta_Crossing_Top_Rank": -0.087503, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2(CC3=NC4=CC=CC=C4C=C3CC2C1)C5=CC(=CC=C5)O", "InChI_key": "LEPBHAAYNPPRRA-WMZHIEFXSA-N" } }, "CID:9953065": { "type": "Drug", "properties": { "id": "CID:9953065", "label": "derenofylline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9953065", "FDA_Category_D_L1000_Similarity": -0.118485, "FDA_Category_D_Structural_Similarity": 0.867529, "FDA_Category_D_Weighted_Contribution": 0.683688, "FDA_Category_D_Top_Rank": -0.0577733, "FDA_Category_X_L1000_Similarity": -0.455097, "FDA_Category_X_Structural_Similarity": -0.47685, "FDA_Category_X_Weighted_Contribution": -0.72165, "FDA_Category_X_Top_Rank": -0.0894712, "FDA_Category_D_and_X_L1000_Similarity": -0.240336, "FDA_Category_D_and_X_Structural_Similarity": 0.431263, "FDA_Category_D_and_X_Weighted_Contribution": 0.141218, "FDA_Category_D_and_X_Top_Rank": -0.0759461, "Placenta_Crossing_L1000_Similarity": -0.260724, "Placenta_Crossing_Structural_Similarity": 0.166241, "Placenta_Crossing_Weighted_Contribution": -0.103857, "Placenta_Crossing_Top_Rank": -0.0785929, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "O[C@H]1CC[C@@H](CC1)Nc2nc(nc3[nH]ccc23)c4ccccc4", "InChI_key": "RBZNJGHIKXAKQE-HDJSIYSDSA-N" } }, "CID:9954280": { "type": "Drug", "properties": { "id": "CID:9954280", "label": "ntzdpa", "lsm": "LSM-3219", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9954280", "FDA_Category_D_L1000_Similarity": 0.413629, "FDA_Category_D_Structural_Similarity": 2.26551, "FDA_Category_D_Weighted_Contribution": 2.48358, "FDA_Category_D_Top_Rank": 0.0976504, "FDA_Category_X_L1000_Similarity": -1.71384, "FDA_Category_X_Structural_Similarity": -0.173333, "FDA_Category_X_Weighted_Contribution": -0.950841, "FDA_Category_X_Top_Rank": -0.0839834, "FDA_Category_D_and_X_L1000_Similarity": -0.1639, "FDA_Category_D_and_X_Structural_Similarity": 1.70464, "FDA_Category_D_and_X_Weighted_Contribution": 1.51096, "FDA_Category_D_and_X_Top_Rank": 0.00448191, "Placenta_Crossing_L1000_Similarity": 0.181772, "Placenta_Crossing_Structural_Similarity": 0.277485, "Placenta_Crossing_Weighted_Contribution": 0.213557, "Placenta_Crossing_Top_Rank": -0.075613, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)Cl)C(=O)O", "InChI_key": "VUPOTURDKDMIGQ-UHFFFAOYSA-N" } }, "CID:9955": { "type": "Drug", "properties": { "id": "CID:9955", "label": "2-aminopurine", "lsm": "LSM-5484", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9955", "FDA_Category_D_L1000_Similarity": 0.39285, "FDA_Category_D_Structural_Similarity": -0.480693, "FDA_Category_D_Weighted_Contribution": -0.334626, "FDA_Category_D_Top_Rank": -0.0873168, "FDA_Category_X_L1000_Similarity": 0.109856, "FDA_Category_X_Structural_Similarity": -0.596571, "FDA_Category_X_Weighted_Contribution": -0.595598, "FDA_Category_X_Top_Rank": -0.0867784, "FDA_Category_D_and_X_L1000_Similarity": 0.372007, "FDA_Category_D_and_X_Structural_Similarity": -0.70344, "FDA_Category_D_and_X_Weighted_Contribution": -0.543084, "FDA_Category_D_and_X_Top_Rank": -0.0878691, "Placenta_Crossing_L1000_Similarity": 0.231169, "Placenta_Crossing_Structural_Similarity": -0.708994, "Placenta_Crossing_Weighted_Contribution": -0.620809, "Placenta_Crossing_Top_Rank": -0.0863517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=NC(=N1)N)N=CN2", "InChI_key": "MWBWWFOAEOYUST-UHFFFAOYSA-N" } }, "CID:9956146": { "type": "Drug", "properties": { "id": "CID:9956146", "label": "JDTic", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9956146", "FDA_Category_D_L1000_Similarity": 0.343097, "FDA_Category_D_Structural_Similarity": -0.568488, "FDA_Category_D_Weighted_Contribution": -0.432156, "FDA_Category_D_Top_Rank": -0.0880992, "FDA_Category_X_L1000_Similarity": 1.65469, "FDA_Category_X_Structural_Similarity": -0.231559, "FDA_Category_X_Weighted_Contribution": 0.484989, "FDA_Category_X_Top_Rank": -0.0345789, "FDA_Category_D_and_X_L1000_Similarity": 0.798258, "FDA_Category_D_and_X_Structural_Similarity": -0.576165, "FDA_Category_D_and_X_Weighted_Contribution": -0.245941, "FDA_Category_D_and_X_Top_Rank": -0.0778264, "Placenta_Crossing_L1000_Similarity": 0.547436, "Placenta_Crossing_Structural_Similarity": -0.828392, "Placenta_Crossing_Weighted_Contribution": -0.590126, "Placenta_Crossing_Top_Rank": -0.0821432, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9956222": { "type": "Drug", "properties": { "id": "CID:9956222", "label": "ym-201636", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9956222", "FDA_Category_D_L1000_Similarity": -0.316798, "FDA_Category_D_Structural_Similarity": 1.03643, "FDA_Category_D_Weighted_Contribution": 0.740068, "FDA_Category_D_Top_Rank": -0.0485464, "FDA_Category_X_L1000_Similarity": 1.50623, "FDA_Category_X_Structural_Similarity": 0.392757, "FDA_Category_X_Weighted_Contribution": 1.09772, "FDA_Category_X_Top_Rank": -0.0465458, "FDA_Category_D_and_X_L1000_Similarity": 0.184326, "FDA_Category_D_and_X_Structural_Similarity": 1.03456, "FDA_Category_D_and_X_Weighted_Contribution": 1.00345, "FDA_Category_D_and_X_Top_Rank": -0.0509393, "Placenta_Crossing_L1000_Similarity": -0.563475, "Placenta_Crossing_Structural_Similarity": 1.27303, "Placenta_Crossing_Weighted_Contribution": 0.850379, "Placenta_Crossing_Top_Rank": -0.0346977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N", "InChI_key": "YBPIBGNBHHGLEB-UHFFFAOYSA-N" } }, "CID:996": { "type": "Drug", "properties": { "id": "CID:996", "label": "phenol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/996", "FDA_Category_D_L1000_Similarity": -0.200363, "FDA_Category_D_Structural_Similarity": 0.229035, "FDA_Category_D_Weighted_Contribution": -0.00974493, "FDA_Category_D_Top_Rank": -0.0790445, "FDA_Category_X_L1000_Similarity": 0.808431, "FDA_Category_X_Structural_Similarity": 0.853672, "FDA_Category_X_Weighted_Contribution": 1.22507, "FDA_Category_X_Top_Rank": -0.047597, "FDA_Category_D_and_X_L1000_Similarity": 0.0727895, "FDA_Category_D_and_X_Structural_Similarity": 0.642426, "FDA_Category_D_and_X_Weighted_Contribution": 0.525724, "FDA_Category_D_and_X_Top_Rank": -0.0692278, "Placenta_Crossing_L1000_Similarity": 0.252462, "Placenta_Crossing_Structural_Similarity": 0.67264, "Placenta_Crossing_Weighted_Contribution": 0.652692, "Placenta_Crossing_Top_Rank": -0.0639028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)O", "InChI_key": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N" } }, "CID:10000456": { "type": "Drug", "properties": { "id": "CID:10000456", "label": "rs-102895", "lsm": "LSM-3870", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10000456", "FDA_Category_D_L1000_Similarity": 0.0853257, "FDA_Category_D_Structural_Similarity": 0.535068, "FDA_Category_D_Weighted_Contribution": 0.459603, "FDA_Category_D_Top_Rank": -0.0698811, "FDA_Category_X_L1000_Similarity": -1.16146, "FDA_Category_X_Structural_Similarity": -0.100453, "FDA_Category_X_Weighted_Contribution": -0.704386, "FDA_Category_X_Top_Rank": -0.0823033, "FDA_Category_D_and_X_L1000_Similarity": -0.279158, "FDA_Category_D_and_X_Structural_Similarity": 0.370487, "FDA_Category_D_and_X_Weighted_Contribution": 0.0628384, "FDA_Category_D_and_X_Top_Rank": -0.077704, "Placenta_Crossing_L1000_Similarity": -1.20302, "Placenta_Crossing_Structural_Similarity": -0.553561, "Placenta_Crossing_Weighted_Contribution": -1.00027, "Placenta_Crossing_Top_Rank": -0.0901798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F", "InChI_key": "HIDWEYPGMLIQSN-UHFFFAOYSA-N" } }, "CID:10040286": { "type": "Drug", "properties": { "id": "CID:10040286", "label": "brd-a13964793", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10040286", "FDA_Category_D_L1000_Similarity": 0.632213, "FDA_Category_D_Structural_Similarity": -0.853799, "FDA_Category_D_Weighted_Contribution": -0.525229, "FDA_Category_D_Top_Rank": -0.0816969, "FDA_Category_X_L1000_Similarity": -0.749986, "FDA_Category_X_Structural_Similarity": -0.711884, "FDA_Category_X_Weighted_Contribution": -0.987245, "FDA_Category_X_Top_Rank": -0.0907644, "FDA_Category_D_and_X_L1000_Similarity": 0.317215, "FDA_Category_D_and_X_Structural_Similarity": -1.0618, "FDA_Category_D_and_X_Weighted_Contribution": -0.819013, "FDA_Category_D_and_X_Top_Rank": -0.0886956, "Placenta_Crossing_L1000_Similarity": 1.29495, "Placenta_Crossing_Structural_Similarity": -1.07496, "Placenta_Crossing_Weighted_Contribution": -0.487803, "Placenta_Crossing_Top_Rank": -0.0558905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2C3C4C1C5C2C6C3C4C5(N6CCC7=CC(=CC=C7)F)O", "InChI_key": "FYGREZKTJIXWIH-UHFFFAOYSA-N" } }, "CID:10050129": { "type": "Drug", "properties": { "id": "CID:10050129", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10050129", "label": "Demeclocycline", "FDA_Category_D_L1000_Similarity": 0.468163, "FDA_Category_D_Structural_Similarity": 4.14266, "FDA_Category_D_Weighted_Contribution": 3.78437, "FDA_Category_D_Top_Rank": 0.588719, "FDA_Category_X_L1000_Similarity": -0.795072, "FDA_Category_X_Structural_Similarity": -0.553685, "FDA_Category_X_Weighted_Contribution": -0.897908, "FDA_Category_X_Top_Rank": -0.0905387, "FDA_Category_D_and_X_L1000_Similarity": 0.162106, "FDA_Category_D_and_X_Structural_Similarity": 2.98932, "FDA_Category_D_and_X_Weighted_Contribution": 2.89256, "FDA_Category_D_and_X_Top_Rank": 0.204007, "Placenta_Crossing_L1000_Similarity": 0.286235, "Placenta_Crossing_Structural_Similarity": 1.87068, "Placenta_Crossing_Weighted_Contribution": 1.94803, "Placenta_Crossing_Top_Rank": 0.0183717, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:10090485": { "type": "Drug", "properties": { "id": "CID:10090485", "label": "galunisertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10090485", "FDA_Category_D_L1000_Similarity": 1.92676, "FDA_Category_D_Structural_Similarity": 4.85649, "FDA_Category_D_Weighted_Contribution": 4.24095, "FDA_Category_D_Top_Rank": 1.14521, "FDA_Category_X_L1000_Similarity": -0.605689, "FDA_Category_X_Structural_Similarity": -0.571136, "FDA_Category_X_Weighted_Contribution": -0.844627, "FDA_Category_X_Top_Rank": -0.0903766, "FDA_Category_D_and_X_L1000_Similarity": 1.47696, "FDA_Category_D_and_X_Structural_Similarity": 3.54648, "FDA_Category_D_and_X_Weighted_Contribution": 3.66884, "FDA_Category_D_and_X_Top_Rank": 0.414239, "Placenta_Crossing_L1000_Similarity": 1.66173, "Placenta_Crossing_Structural_Similarity": -0.390401, "Placenta_Crossing_Weighted_Contribution": 0.295593, "Placenta_Crossing_Top_Rank": -0.0200779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(=O)N", "InChI_key": "IVRXNBXKWIJUQB-UHFFFAOYSA-N" } }, "CID:101498": { "type": "Drug", "properties": { "id": "CID:101498", "label": "brd-k34437622", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/101498", "FDA_Category_D_L1000_Similarity": -0.211842, "FDA_Category_D_Structural_Similarity": -0.317158, "FDA_Category_D_Weighted_Contribution": -0.491663, "FDA_Category_D_Top_Rank": -0.091656, "FDA_Category_X_L1000_Similarity": 1.14423, "FDA_Category_X_Structural_Similarity": -0.188862, "FDA_Category_X_Weighted_Contribution": 0.259642, "FDA_Category_X_Top_Rank": -0.0664909, "FDA_Category_D_and_X_L1000_Similarity": 0.164872, "FDA_Category_D_and_X_Structural_Similarity": -0.353642, "FDA_Category_D_and_X_Weighted_Contribution": -0.357568, "FDA_Category_D_and_X_Top_Rank": -0.0906551, "Placenta_Crossing_L1000_Similarity": 0.491376, "Placenta_Crossing_Structural_Similarity": -1.08148, "Placenta_Crossing_Weighted_Contribution": -0.791214, "Placenta_Crossing_Top_Rank": -0.0831202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=NC(=O)N1)F", "InChI_key": "HPABFFGQPLJKBP-UHFFFAOYSA-N" } }, "CID:10152654": { "type": "Drug", "properties": { "id": "CID:10152654", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10152654", "label": "odanacatib", "FDA_Category_D_L1000_Similarity": 1.2739, "FDA_Category_D_Structural_Similarity": -0.9031, "FDA_Category_D_Weighted_Contribution": -0.253988, "FDA_Category_D_Top_Rank": -0.0405786, "FDA_Category_X_L1000_Similarity": 1.98114, "FDA_Category_X_Structural_Similarity": -0.73616, "FDA_Category_X_Weighted_Contribution": 0.127959, "FDA_Category_X_Top_Rank": 0.00788227, "FDA_Category_D_and_X_L1000_Similarity": 1.69976, "FDA_Category_D_and_X_Structural_Similarity": -1.11403, "FDA_Category_D_and_X_Weighted_Contribution": -0.273747, "FDA_Category_D_and_X_Top_Rank": 0.00998515, "Placenta_Crossing_L1000_Similarity": 0.968161, "Placenta_Crossing_Structural_Similarity": -0.894963, "Placenta_Crossing_Weighted_Contribution": -0.476549, "Placenta_Crossing_Top_Rank": -0.0715069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F", "InChI_key": "FWIVDMJALNEADT-SFTDATJTSA-N" } }, "CID:10160238": { "type": "Drug", "properties": { "id": "CID:10160238", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10160238", "label": "tasisulam", "FDA_Category_D_L1000_Similarity": 0.320791, "FDA_Category_D_Structural_Similarity": 0.023719, "FDA_Category_D_Weighted_Contribution": 0.0854091, "FDA_Category_D_Top_Rank": -0.0845959, "FDA_Category_X_L1000_Similarity": 1.67775, "FDA_Category_X_Structural_Similarity": 1.74431, "FDA_Category_X_Weighted_Contribution": 2.65851, "FDA_Category_X_Top_Rank": 0.00956232, "FDA_Category_D_and_X_L1000_Similarity": 0.786026, "FDA_Category_D_and_X_Structural_Similarity": 0.960047, "FDA_Category_D_and_X_Weighted_Contribution": 1.28477, "FDA_Category_D_and_X_Top_Rank": -0.0554719, "Placenta_Crossing_L1000_Similarity": 0.4816, "Placenta_Crossing_Structural_Similarity": 0.413069, "Placenta_Crossing_Weighted_Contribution": 0.503445, "Placenta_Crossing_Top_Rank": -0.0721044, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br", "InChI_key": "WWONFUQGBVOKOF-UHFFFAOYSA-N" } }, "CID:101989": { "type": "Drug", "properties": { "id": "CID:101989", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID101989", "label": "16,17-androstene-3-ol", "FDA_Category_D_L1000_Similarity": 1.09095, "FDA_Category_D_Structural_Similarity": 2.03071, "FDA_Category_D_Weighted_Contribution": 2.63177, "FDA_Category_D_Top_Rank": 0.0529109, "FDA_Category_X_L1000_Similarity": 2.50946, "FDA_Category_X_Structural_Similarity": -0.0788853, "FDA_Category_X_Weighted_Contribution": 1.13231, "FDA_Category_X_Top_Rank": 0.158872, "FDA_Category_D_and_X_L1000_Similarity": 1.70249, "FDA_Category_D_and_X_Structural_Similarity": 1.56924, "FDA_Category_D_and_X_Weighted_Contribution": 2.42198, "FDA_Category_D_and_X_Top_Rank": 0.0113361, "Placenta_Crossing_L1000_Similarity": 1.64886, "Placenta_Crossing_Structural_Similarity": -0.884299, "Placenta_Crossing_Weighted_Contribution": -0.177229, "Placenta_Crossing_Top_Rank": -0.0228062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CC=C2)CCC4C3(CCC(C4)O)C", "InChI_key": "KRVXMNNRSSQZJP-PHFHYRSDSA-N" } }, "CID:10202642": { "type": "Drug", "properties": { "id": "CID:10202642", "label": "GW-788388", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10202642", "FDA_Category_D_L1000_Similarity": 0.746229, "FDA_Category_X_L1000_Similarity": -1.14373, "FDA_Category_D_and_X_L1000_Similarity": 0.295935, "Placenta_Crossing_L1000_Similarity": 1.61464, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10228": { "type": "Drug", "properties": { "id": "CID:10228", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10228", "label": "osthol", "FDA_Category_D_L1000_Similarity": -0.691102, "FDA_Category_D_Structural_Similarity": 0.762246, "FDA_Category_D_Weighted_Contribution": 0.228435, "FDA_Category_D_Top_Rank": -0.0619382, "FDA_Category_X_L1000_Similarity": 0.523559, "FDA_Category_X_Structural_Similarity": 0.70685, "FDA_Category_X_Weighted_Contribution": 0.896497, "FDA_Category_X_Top_Rank": -0.0539743, "FDA_Category_D_and_X_L1000_Similarity": -0.43674, "FDA_Category_D_and_X_Structural_Similarity": 0.986419, "FDA_Category_D_and_X_Weighted_Contribution": 0.585846, "FDA_Category_D_and_X_Top_Rank": -0.0538835, "Placenta_Crossing_L1000_Similarity": -0.387622, "Placenta_Crossing_Structural_Similarity": 1.40566, "Placenta_Crossing_Weighted_Contribution": 1.08893, "Placenta_Crossing_Top_Rank": -0.0257419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C", "InChI_key": "MBRLOUHOWLUMFF-UHFFFAOYSA-N" } }, "CID:10366136": { "type": "Drug", "properties": { "id": "CID:10366136", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10366136", "label": "crenolanib", "FDA_Category_D_L1000_Similarity": 0.281979, "FDA_Category_D_Structural_Similarity": 0.0366289, "FDA_Category_D_Weighted_Contribution": 0.0759548, "FDA_Category_D_Top_Rank": -0.0842794, "FDA_Category_X_L1000_Similarity": 0.245966, "FDA_Category_X_Structural_Similarity": -0.379829, "FDA_Category_X_Weighted_Contribution": -0.35683, "FDA_Category_X_Top_Rank": -0.0855004, "FDA_Category_D_and_X_L1000_Similarity": 0.317768, "FDA_Category_D_and_X_Structural_Similarity": -0.175881, "FDA_Category_D_and_X_Weighted_Contribution": -0.131281, "FDA_Category_D_and_X_Top_Rank": -0.0886849, "Placenta_Crossing_L1000_Similarity": 0.268333, "Placenta_Crossing_Structural_Similarity": -0.95075, "Placenta_Crossing_Weighted_Contribution": -0.7793, "Placenta_Crossing_Top_Rank": -0.0860141, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4", "InChI_key": "DYNHJHQFHQTFTP-UHFFFAOYSA-N" } }, "CID:10370504": { "type": "Drug", "properties": { "id": "CID:10370504", "label": "uk-356618", "lsm": "LSM-4940", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10370504", "FDA_Category_D_L1000_Similarity": -0.0960706, "FDA_Category_D_Structural_Similarity": 0.925495, "FDA_Category_D_Weighted_Contribution": 0.759714, "FDA_Category_D_Top_Rank": -0.0540935, "FDA_Category_X_L1000_Similarity": -1.97415, "FDA_Category_X_Structural_Similarity": -0.334076, "FDA_Category_X_Weighted_Contribution": -1.1297, "FDA_Category_X_Top_Rank": -0.0870727, "FDA_Category_D_and_X_L1000_Similarity": -0.682331, "FDA_Category_D_and_X_Structural_Similarity": 0.554312, "FDA_Category_D_and_X_Weighted_Contribution": 0.0233522, "FDA_Category_D_and_X_Top_Rank": -0.0721896, "Placenta_Crossing_L1000_Similarity": -0.104791, "Placenta_Crossing_Structural_Similarity": 0.542879, "Placenta_Crossing_Weighted_Contribution": 0.332729, "Placenta_Crossing_Top_Rank": -0.0684432, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)CCCC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C2=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3", "InChI_key": "JJHRUUKMPWUYIB-HVOSOHGQSA-N" } }, "CID:10410894": { "type": "Drug", "properties": { "id": "CID:10410894", "label": "le-135", "lsm": "LSM-2127", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10410894", "FDA_Category_D_L1000_Similarity": -1.67208, "FDA_Category_D_Structural_Similarity": -0.397391, "FDA_Category_D_Weighted_Contribution": -1.11689, "FDA_Category_D_Top_Rank": -0.0928755, "FDA_Category_X_L1000_Similarity": 0.0399902, "FDA_Category_X_Structural_Similarity": -0.092356, "FDA_Category_X_Weighted_Contribution": -0.190091, "FDA_Category_X_Top_Rank": -0.0820878, "FDA_Category_D_and_X_L1000_Similarity": -1.42921, "FDA_Category_D_and_X_Structural_Similarity": -0.365249, "FDA_Category_D_and_X_Weighted_Contribution": -0.9936, "FDA_Category_D_and_X_Top_Rank": -0.0925614, "Placenta_Crossing_L1000_Similarity": -1.49519, "Placenta_Crossing_Structural_Similarity": -0.715789, "Placenta_Crossing_Weighted_Contribution": -1.16972, "Placenta_Crossing_Top_Rank": -0.0913311, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C", "InChI_key": "YZZAIQOVMHVWBS-UHFFFAOYSA-N" } }, "CID:10427712": { "type": "Drug", "properties": { "id": "CID:10427712", "label": "tg100-115", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10427712", "FDA_Category_D_L1000_Similarity": 0.541959, "FDA_Category_D_Structural_Similarity": 2.07469, "FDA_Category_D_Weighted_Contribution": 2.37383, "FDA_Category_D_Top_Rank": 0.0614061, "FDA_Category_X_L1000_Similarity": 2.02084, "FDA_Category_X_Structural_Similarity": 2.15944, "FDA_Category_X_Weighted_Contribution": 3.17576, "FDA_Category_X_Top_Rank": 0.0614266, "FDA_Category_D_and_X_L1000_Similarity": 1.08087, "FDA_Category_D_and_X_Structural_Similarity": 2.81193, "FDA_Category_D_and_X_Weighted_Contribution": 3.13784, "FDA_Category_D_and_X_Top_Rank": 0.157949, "Placenta_Crossing_L1000_Similarity": 0.540627, "Placenta_Crossing_Structural_Similarity": 1.29098, "Placenta_Crossing_Weighted_Contribution": 1.47349, "Placenta_Crossing_Top_Rank": -0.0337106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)O)C2=NC3=C(N=C(N=C3N=C2C4=CC(=CC=C4)O)N)N", "InChI_key": "UJIAQDJKSXQLIT-UHFFFAOYSA-N" } }, "CID:10430360": { "type": "Drug", "properties": { "id": "CID:10430360", "label": "cc-401", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10430360", "FDA_Category_D_L1000_Similarity": 2.09857, "FDA_Category_D_Structural_Similarity": 1.45547, "FDA_Category_D_Weighted_Contribution": 2.64499, "FDA_Category_D_Top_Rank": 0.277157, "FDA_Category_X_L1000_Similarity": 0.83303, "FDA_Category_X_Structural_Similarity": 0.119044, "FDA_Category_X_Weighted_Contribution": 0.419986, "FDA_Category_X_Top_Rank": -0.0761096, "FDA_Category_D_and_X_L1000_Similarity": 2.06198, "FDA_Category_D_and_X_Structural_Similarity": 1.21946, "FDA_Category_D_and_X_Weighted_Contribution": 2.28385, "FDA_Category_D_and_X_Top_Rank": 0.125715, "Placenta_Crossing_L1000_Similarity": 2.43143, "Placenta_Crossing_Structural_Similarity": -0.798366, "Placenta_Crossing_Weighted_Contribution": 0.278176, "Placenta_Crossing_Top_Rank": 0.231843, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5", "InChI_key": "XDJCLCLBSGGNKS-UHFFFAOYSA-N" } }, "CID:104858": { "type": "Drug", "properties": { "id": "CID:104858", "label": "S-nitrosoglutathione", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/104858", "FDA_Category_D_L1000_Similarity": -0.0156065, "FDA_Category_D_Structural_Similarity": -0.457475, "FDA_Category_D_Weighted_Contribution": -0.511846, "FDA_Category_D_Top_Rank": -0.0923051, "FDA_Category_X_L1000_Similarity": -0.908548, "FDA_Category_X_Structural_Similarity": -0.68966, "FDA_Category_X_Weighted_Contribution": -1.02331, "FDA_Category_X_Top_Rank": -0.0911075, "FDA_Category_D_and_X_L1000_Similarity": -0.28936, "FDA_Category_D_and_X_Structural_Similarity": -0.735242, "FDA_Category_D_and_X_Weighted_Contribution": -0.827824, "FDA_Category_D_and_X_Top_Rank": -0.0941396, "Placenta_Crossing_L1000_Similarity": -0.682175, "Placenta_Crossing_Structural_Similarity": -0.998236, "Placenta_Crossing_Weighted_Contribution": -1.10175, "Placenta_Crossing_Top_Rank": -0.0912719, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1049140": { "type": "Drug", "properties": { "id": "CID:1049140", "label": "st-4042556", "lsm": "LSM-4638", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1049140", "FDA_Category_D_L1000_Similarity": 1.84555, "FDA_Category_X_L1000_Similarity": 0.970646, "FDA_Category_D_and_X_L1000_Similarity": 1.88566, "Placenta_Crossing_L1000_Similarity": 1.66865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)Cl", "InChI_key": "NAZTWGOQPYAEMF-UHFFFAOYSA-N" } }, "CID:105007": { "type": "Drug", "properties": { "id": "CID:105007", "label": "fpl-55712", "lsm": "LSM-1940", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/105007", "FDA_Category_D_L1000_Similarity": 0.77826, "FDA_Category_D_Structural_Similarity": 0.457695, "FDA_Category_D_Weighted_Contribution": 0.807238, "FDA_Category_D_Top_Rank": -0.0725546, "FDA_Category_X_L1000_Similarity": 2.04553, "FDA_Category_X_Structural_Similarity": -0.575721, "FDA_Category_X_Weighted_Contribution": 0.32669, "FDA_Category_X_Top_Rank": 0.0190838, "FDA_Category_D_and_X_L1000_Similarity": 1.29205, "FDA_Category_D_and_X_Structural_Similarity": 0.0526217, "FDA_Category_D_and_X_Weighted_Contribution": 0.622431, "FDA_Category_D_and_X_Top_Rank": -0.0475664, "Placenta_Crossing_L1000_Similarity": 0.773737, "Placenta_Crossing_Structural_Similarity": 0.0399205, "Placenta_Crossing_Weighted_Contribution": 0.275519, "Placenta_Crossing_Top_Rank": -0.0770833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC)O", "InChI_key": "LMQBMWHHGVZWMR-UHFFFAOYSA-N" } }, "CID:10633": { "type": "Drug", "properties": { "id": "CID:10633", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10633", "label": "mestanolone", "FDA_Category_D_L1000_Similarity": -0.554781, "FDA_Category_D_Structural_Similarity": -0.662438, "FDA_Category_D_Weighted_Contribution": -0.885888, "FDA_Category_D_Top_Rank": -0.0953295, "FDA_Category_X_L1000_Similarity": 0.615046, "FDA_Category_X_Structural_Similarity": 4.43013, "FDA_Category_X_Weighted_Contribution": 4.08626, "FDA_Category_X_Top_Rank": 0.805236, "FDA_Category_D_and_X_L1000_Similarity": -0.291454, "FDA_Category_D_and_X_Structural_Similarity": 1.86469, "FDA_Category_D_and_X_Weighted_Contribution": 1.60459, "FDA_Category_D_and_X_Top_Rank": 0.0209706, "Placenta_Crossing_L1000_Similarity": -0.967419, "Placenta_Crossing_Structural_Similarity": 0.370165, "Placenta_Crossing_Weighted_Contribution": -0.241121, "Placenta_Crossing_Top_Rank": -0.073246, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4(C)O)C", "InChI_key": "WYZDXEKUWRCKOB-YDSAWKJFSA-N" } }, "CID:10635": { "type": "Drug", "properties": { "id": "CID:10635", "label": "stanolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10635", "FDA_Category_D_L1000_Similarity": 0.0409273, "FDA_Category_D_Structural_Similarity": -0.0933319, "FDA_Category_D_Weighted_Contribution": -0.176243, "FDA_Category_D_Top_Rank": -0.0873991, "FDA_Category_X_L1000_Similarity": 0.373606, "FDA_Category_X_Structural_Similarity": 1.59264, "FDA_Category_X_Weighted_Contribution": 1.8161, "FDA_Category_X_Top_Rank": -0.00288777, "FDA_Category_D_and_X_L1000_Similarity": 0.148736, "FDA_Category_D_and_X_Structural_Similarity": 0.785303, "FDA_Category_D_and_X_Weighted_Contribution": 0.718207, "FDA_Category_D_and_X_Top_Rank": -0.0639297, "Placenta_Crossing_L1000_Similarity": -0.146738, "Placenta_Crossing_Structural_Similarity": 0.189289, "Placenta_Crossing_Weighted_Contribution": -0.0297193, "Placenta_Crossing_Top_Rank": -0.0780536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C", "InChI_key": "NVKAWKQGWWIWPM-ABEVXSGRSA-N" } }, "CID:10668211": { "type": "Drug", "properties": { "id": "CID:10668211", "label": "r-96544", "lsm": "LSM-2339", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10668211", "FDA_Category_D_L1000_Similarity": -1.65804, "FDA_Category_D_Structural_Similarity": 0.450026, "FDA_Category_D_Weighted_Contribution": -0.554375, "FDA_Category_D_Top_Rank": -0.0728289, "FDA_Category_X_L1000_Similarity": 1.96364, "FDA_Category_X_Structural_Similarity": 0.458648, "FDA_Category_X_Weighted_Contribution": 1.43394, "FDA_Category_X_Top_Rank": 0.00545837, "FDA_Category_D_and_X_L1000_Similarity": -0.83294, "FDA_Category_D_and_X_Structural_Similarity": 0.604676, "FDA_Category_D_and_X_Weighted_Contribution": -0.00824306, "FDA_Category_D_and_X_Top_Rank": -0.0706765, "Placenta_Crossing_L1000_Similarity": -1.10939, "Placenta_Crossing_Structural_Similarity": 2.22504, "Placenta_Crossing_Weighted_Contribution": 1.57735, "Placenta_Crossing_Top_Rank": 0.0542028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(CC1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC)O", "InChI_key": "AFZLABYDOCWQBQ-WOJBJXKFSA-N" } }, "CID:10770": { "type": "Drug", "properties": { "id": "CID:10770", "label": "hexylcaine", "lsm": "LSM-1954", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10770", "FDA_Category_D_L1000_Similarity": 0.399446, "FDA_Category_D_Structural_Similarity": 1.62919, "FDA_Category_D_Weighted_Contribution": 1.83766, "FDA_Category_D_Top_Rank": -0.00238836, "FDA_Category_X_L1000_Similarity": 1.64756, "FDA_Category_X_Structural_Similarity": -0.451206, "FDA_Category_X_Weighted_Contribution": 0.248774, "FDA_Category_X_Top_Rank": -0.0356, "FDA_Category_D_and_X_L1000_Similarity": 0.844658, "FDA_Category_D_and_X_Structural_Similarity": 1.04964, "FDA_Category_D_and_X_Weighted_Contribution": 1.41563, "FDA_Category_D_and_X_Top_Rank": -0.0497298, "Placenta_Crossing_L1000_Similarity": 1.18251, "Placenta_Crossing_Structural_Similarity": 2.78941, "Placenta_Crossing_Weighted_Contribution": 3.14813, "Placenta_Crossing_Top_Rank": 0.145583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2", "InChI_key": "DKLKMKYDWHYZTD-UHFFFAOYSA-N" } }, "CID:10783": { "type": "Drug", "properties": { "id": "CID:10783", "label": "clomethiazole", "lsm": "LSM-3110", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10783", "FDA_Category_D_L1000_Similarity": -0.224622, "FDA_Category_D_Structural_Similarity": 0.0920993, "FDA_Category_D_Weighted_Contribution": -0.149279, "FDA_Category_D_Top_Rank": -0.0827686, "FDA_Category_X_L1000_Similarity": -1.03593, "FDA_Category_X_Structural_Similarity": -0.59523, "FDA_Category_X_Weighted_Contribution": -1.00405, "FDA_Category_X_Top_Rank": -0.0910224, "FDA_Category_D_and_X_L1000_Similarity": -0.508222, "FDA_Category_D_and_X_Structural_Similarity": -0.248083, "FDA_Category_D_and_X_Weighted_Contribution": -0.57191, "FDA_Category_D_and_X_Top_Rank": -0.0909167, "Placenta_Crossing_L1000_Similarity": 0.777805, "Placenta_Crossing_Structural_Similarity": -0.847806, "Placenta_Crossing_Weighted_Contribution": -0.515421, "Placenta_Crossing_Top_Rank": -0.0769744, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC=N1)CCCl", "InChI_key": "PCLITLDOTJTVDJ-UHFFFAOYSA-N" } }, "CID:107950": { "type": "Drug", "properties": { "id": "CID:107950", "label": "cl-218872", "lsm": "LSM-1991", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107950", "FDA_Category_D_L1000_Similarity": 0.114324, "FDA_Category_D_Structural_Similarity": 0.00406045, "FDA_Category_D_Weighted_Contribution": -0.0478608, "FDA_Category_D_Top_Rank": -0.0851304, "FDA_Category_X_L1000_Similarity": 0.434096, "FDA_Category_X_Structural_Similarity": 0.366016, "FDA_Category_X_Weighted_Contribution": 0.470749, "FDA_Category_X_Top_Rank": -0.0671353, "FDA_Category_D_and_X_L1000_Similarity": 0.230372, "FDA_Category_D_and_X_Structural_Similarity": 0.200724, "FDA_Category_D_and_X_Weighted_Contribution": 0.173267, "FDA_Category_D_and_X_Top_Rank": -0.0816502, "Placenta_Crossing_L1000_Similarity": 0.0654218, "Placenta_Crossing_Structural_Similarity": -0.278663, "Placenta_Crossing_Weighted_Contribution": -0.34754, "Placenta_Crossing_Top_Rank": -0.0871523, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F", "InChI_key": "GUOQUXNJZHGPQF-UHFFFAOYSA-N" } }, "CID:108107": { "type": "Drug", "properties": { "id": "CID:108107", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID108107", "label": "benzamil", "FDA_Category_D_L1000_Similarity": 1.24221, "FDA_Category_D_Structural_Similarity": -0.925378, "FDA_Category_D_Weighted_Contribution": -0.289479, "FDA_Category_D_Top_Rank": -0.0446554, "FDA_Category_X_L1000_Similarity": 1.65163, "FDA_Category_X_Structural_Similarity": -0.489851, "FDA_Category_X_Weighted_Contribution": 0.210979, "FDA_Category_X_Top_Rank": -0.0350571, "FDA_Category_D_and_X_L1000_Similarity": 1.57237, "FDA_Category_D_and_X_Structural_Similarity": -0.998807, "FDA_Category_D_and_X_Weighted_Contribution": -0.236215, "FDA_Category_D_and_X_Top_Rank": -0.0121193, "Placenta_Crossing_L1000_Similarity": 1.26526, "Placenta_Crossing_Structural_Similarity": -0.100479, "Placenta_Crossing_Weighted_Contribution": 0.38485, "Placenta_Crossing_Top_Rank": -0.0581869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N", "InChI_key": "KXDROGADUISDGY-UHFFFAOYSA-N" } }, "CID:1102": { "type": "Drug", "properties": { "id": "CID:1102", "label": "spermidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1102", "FDA_Category_D_L1000_Similarity": 0.220724, "FDA_Category_D_Structural_Similarity": -0.483766, "FDA_Category_D_Weighted_Contribution": -0.421445, "FDA_Category_D_Top_Rank": -0.0899761, "FDA_Category_X_L1000_Similarity": 0.0684557, "FDA_Category_X_Structural_Similarity": -0.575909, "FDA_Category_X_Weighted_Contribution": -0.595641, "FDA_Category_X_Top_Rank": -0.0870859, "FDA_Category_D_and_X_L1000_Similarity": 0.211059, "FDA_Category_D_and_X_Structural_Similarity": -0.694729, "FDA_Category_D_and_X_Weighted_Contribution": -0.60432, "FDA_Category_D_and_X_Top_Rank": -0.0900584, "Placenta_Crossing_L1000_Similarity": 0.0491589, "Placenta_Crossing_Structural_Similarity": -0.482473, "Placenta_Crossing_Weighted_Contribution": -0.518783, "Placenta_Crossing_Top_Rank": -0.0879588, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CCNCCCN)CN", "InChI_key": "ATHGHQPFGPMSJY-UHFFFAOYSA-N" } }, "CID:1103147": { "type": "Drug", "properties": { "id": "CID:1103147", "label": "ym-90709", "lsm": "LSM-2128", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1103147", "FDA_Category_D_L1000_Similarity": -0.0155528, "FDA_Category_D_Structural_Similarity": -0.312676, "FDA_Category_D_Weighted_Contribution": -0.394402, "FDA_Category_D_Top_Rank": -0.0916031, "FDA_Category_X_L1000_Similarity": -1.53827, "FDA_Category_X_Structural_Similarity": 0.866345, "FDA_Category_X_Weighted_Contribution": -0.0293955, "FDA_Category_X_Top_Rank": -0.0467885, "FDA_Category_D_and_X_L1000_Similarity": -0.480553, "FDA_Category_D_and_X_Structural_Similarity": 0.219301, "FDA_Category_D_and_X_Weighted_Contribution": -0.177616, "FDA_Category_D_and_X_Top_Rank": -0.0812689, "Placenta_Crossing_L1000_Similarity": 0.182648, "Placenta_Crossing_Structural_Similarity": -0.501792, "Placenta_Crossing_Weighted_Contribution": -0.48077, "Placenta_Crossing_Top_Rank": -0.0867585, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC2=CC(=C(C=C2C3=CC4=NC5=CC=CC=C5N=C4N31)OC)OC)C", "InChI_key": "HIXSPVQXXDULHS-UHFFFAOYSA-N" } }, "CID:11096": { "type": "Drug", "properties": { "id": "CID:11096", "label": "pseudopelletierine", "lsm": "LSM-1370", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11096", "FDA_Category_D_L1000_Similarity": 1.214, "FDA_Category_D_Structural_Similarity": 1.08722, "FDA_Category_D_Weighted_Contribution": 1.76869, "FDA_Category_D_Top_Rank": -0.0462765, "FDA_Category_X_L1000_Similarity": -0.0746796, "FDA_Category_X_Structural_Similarity": -0.460173, "FDA_Category_X_Weighted_Contribution": -0.560197, "FDA_Category_X_Top_Rank": -0.0880731, "FDA_Category_D_and_X_L1000_Similarity": 1.02381, "FDA_Category_D_and_X_Structural_Similarity": 0.614632, "FDA_Category_D_and_X_Weighted_Contribution": 1.0576, "FDA_Category_D_and_X_Top_Rank": -0.0675339, "Placenta_Crossing_L1000_Similarity": 1.07554, "Placenta_Crossing_Structural_Similarity": -0.772126, "Placenta_Crossing_Weighted_Contribution": -0.331628, "Placenta_Crossing_Top_Rank": -0.0674198, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2CCCC1CC(=O)C2", "InChI_key": "RHWSKVCZXBAWLZ-UHFFFAOYSA-N" } }, "CID:11167602": { "type": "Drug", "properties": { "id": "CID:11167602", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11167602", "label": "regorafenib", "FDA_Category_D_L1000_Similarity": 1.02557, "FDA_Category_D_Structural_Similarity": 4.60769, "FDA_Category_D_Weighted_Contribution": 4.06483, "FDA_Category_D_Top_Rank": 0.886931, "FDA_Category_X_L1000_Similarity": -1.37925, "FDA_Category_X_Structural_Similarity": -0.522935, "FDA_Category_X_Weighted_Contribution": -1.06555, "FDA_Category_X_Top_Rank": -0.09013, "FDA_Category_D_and_X_L1000_Similarity": 0.465204, "FDA_Category_D_and_X_Structural_Similarity": 3.37501, "FDA_Category_D_and_X_Weighted_Contribution": 3.27965, "FDA_Category_D_and_X_Top_Rank": 0.335265, "Placenta_Crossing_L1000_Similarity": 0.630326, "Placenta_Crossing_Structural_Similarity": 0.731605, "Placenta_Crossing_Weighted_Contribution": 0.919136, "Placenta_Crossing_Top_Rank": -0.0619609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F", "InChI_key": "FNHKPVJBJVTLMP-UHFFFAOYSA-N" } }, "CID:11201035": { "type": "Drug", "properties": { "id": "CID:11201035", "label": "phtpp", "lsm": "LSM-3711", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11201035", "FDA_Category_D_L1000_Similarity": 0.933714, "FDA_Category_D_Structural_Similarity": 0.475627, "FDA_Category_D_Weighted_Contribution": 0.925126, "FDA_Category_D_Top_Rank": -0.0694915, "FDA_Category_X_L1000_Similarity": -0.166285, "FDA_Category_X_Structural_Similarity": -0.562778, "FDA_Category_X_Weighted_Contribution": -0.677225, "FDA_Category_X_Top_Rank": -0.0886, "FDA_Category_D_and_X_L1000_Similarity": 0.754386, "FDA_Category_D_and_X_Structural_Similarity": 0.0738389, "FDA_Category_D_and_X_Weighted_Contribution": 0.336999, "FDA_Category_D_and_X_Top_Rank": -0.0793946, "Placenta_Crossing_L1000_Similarity": 0.792101, "Placenta_Crossing_Structural_Similarity": 0.851995, "Placenta_Crossing_Weighted_Contribution": 1.13736, "Placenta_Crossing_Top_Rank": -0.0572116, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F", "InChI_key": "AEZPAUSGTAHLOQ-UHFFFAOYSA-N" } }, "CID:11214940": { "type": "Drug", "properties": { "id": "CID:11214940", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11214940", "label": "erastin", "FDA_Category_D_L1000_Similarity": 0.150103, "FDA_Category_D_Structural_Similarity": -0.339063, "FDA_Category_D_Weighted_Contribution": -0.335067, "FDA_Category_D_Top_Rank": -0.0907478, "FDA_Category_X_L1000_Similarity": 1.49194, "FDA_Category_X_Structural_Similarity": -0.657524, "FDA_Category_X_Weighted_Contribution": -0.0367181, "FDA_Category_X_Top_Rank": -0.047597, "FDA_Category_D_and_X_L1000_Similarity": 0.582462, "FDA_Category_D_and_X_Structural_Similarity": -0.623916, "FDA_Category_D_and_X_Weighted_Contribution": -0.387251, "FDA_Category_D_and_X_Top_Rank": -0.0839291, "Placenta_Crossing_L1000_Similarity": 1.28624, "Placenta_Crossing_Structural_Similarity": -0.938655, "Placenta_Crossing_Weighted_Contribution": -0.381313, "Placenta_Crossing_Top_Rank": -0.0566097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl", "InChI_key": "BKQFRNYHFIQEKN-UHFFFAOYSA-N" } }, "CID:11219195": { "type": "Drug", "properties": { "id": "CID:11219195", "label": "ku-c103658", "lsm": "LSM-3168", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11219195", "FDA_Category_D_L1000_Similarity": -0.550436, "FDA_Category_D_Structural_Similarity": -0.448756, "FDA_Category_D_Weighted_Contribution": -0.73975, "FDA_Category_D_Top_Rank": -0.093525, "FDA_Category_X_L1000_Similarity": 0.863556, "FDA_Category_X_Structural_Similarity": -0.724743, "FDA_Category_X_Weighted_Contribution": -0.388169, "FDA_Category_X_Top_Rank": -0.0753436, "FDA_Category_D_and_X_L1000_Similarity": -0.212236, "FDA_Category_D_and_X_Structural_Similarity": -0.747252, "FDA_Category_D_and_X_Weighted_Contribution": -0.807321, "FDA_Category_D_and_X_Top_Rank": -0.0937128, "Placenta_Crossing_L1000_Similarity": 0.210805, "Placenta_Crossing_Structural_Similarity": -0.746724, "Placenta_Crossing_Weighted_Contribution": -0.656143, "Placenta_Crossing_Top_Rank": -0.0865317, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)C3=CC=C(C=C3)Cl", "InChI_key": "XZZLYYYXSWYYKL-UHFFFAOYSA-N" } }, "CID:11317348": { "type": "Drug", "properties": { "id": "CID:11317348", "label": "ki-8751", "lsm": "LSM-3040", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11317348", "FDA_Category_D_L1000_Similarity": 0.628673, "FDA_Category_D_Structural_Similarity": -0.497819, "FDA_Category_D_Weighted_Contribution": -0.229885, "FDA_Category_D_Top_Rank": -0.0818241, "FDA_Category_X_L1000_Similarity": -0.3611, "FDA_Category_X_Structural_Similarity": -0.0933678, "FDA_Category_X_Weighted_Contribution": -0.372006, "FDA_Category_X_Top_Rank": -0.0821156, "FDA_Category_D_and_X_L1000_Similarity": 0.432268, "FDA_Category_D_and_X_Structural_Similarity": -0.445507, "FDA_Category_D_and_X_Weighted_Contribution": -0.309252, "FDA_Category_D_and_X_Top_Rank": -0.0869685, "Placenta_Crossing_L1000_Similarity": -0.163501, "Placenta_Crossing_Structural_Similarity": -0.454805, "Placenta_Crossing_Weighted_Contribution": -0.58037, "Placenta_Crossing_Top_Rank": -0.0892878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=O)NC4=C(C=C(C=C4)F)F)F", "InChI_key": "LFKQSJNCVRGFCC-UHFFFAOYSA-N" } }, "CID:11319053": { "type": "Drug", "properties": { "id": "CID:11319053", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11319053", "label": "telcagepant", "FDA_Category_D_L1000_Similarity": 0.359966, "FDA_Category_D_Structural_Similarity": 1.4476, "FDA_Category_D_Weighted_Contribution": 1.61882, "FDA_Category_D_Top_Rank": -0.0225935, "FDA_Category_X_L1000_Similarity": 0.165979, "FDA_Category_X_Structural_Similarity": -0.106811, "FDA_Category_X_Weighted_Contribution": -0.144627, "FDA_Category_X_Top_Rank": -0.0824822, "FDA_Category_D_and_X_L1000_Similarity": 0.360699, "FDA_Category_D_and_X_Structural_Similarity": 1.09135, "FDA_Category_D_and_X_Weighted_Contribution": 1.17002, "FDA_Category_D_and_X_Top_Rank": -0.0469705, "Placenta_Crossing_L1000_Similarity": -0.16556, "Placenta_Crossing_Structural_Similarity": -0.0450251, "Placenta_Crossing_Weighted_Contribution": -0.248408, "Placenta_Crossing_Top_Rank": -0.0831756, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C(=O)N(CC1C2=C(C(=CC=C2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5", "InChI_key": "CGDZXLJGHVKVIE-DNVCBOLYSA-N" } }, "CID:11351968": { "type": "Drug", "properties": { "id": "CID:11351968", "label": "A-740003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11351968", "FDA_Category_D_L1000_Similarity": 0.195636, "FDA_Category_D_Structural_Similarity": -0.5825, "FDA_Category_D_Weighted_Contribution": -0.512894, "FDA_Category_D_Top_Rank": -0.0902707, "FDA_Category_X_L1000_Similarity": 0.280867, "FDA_Category_X_Structural_Similarity": -0.576997, "FDA_Category_X_Weighted_Contribution": -0.510174, "FDA_Category_X_Top_Rank": -0.0851287, "FDA_Category_D_and_X_L1000_Similarity": 0.253951, "FDA_Category_D_and_X_Structural_Similarity": -0.773683, "FDA_Category_D_and_X_Weighted_Contribution": -0.644548, "FDA_Category_D_and_X_Top_Rank": -0.0895582, "Placenta_Crossing_L1000_Similarity": 0.288771, "Placenta_Crossing_Structural_Similarity": -0.89169, "Placenta_Crossing_Weighted_Contribution": -0.731406, "Placenta_Crossing_Top_Rank": -0.0857715, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1140587": { "type": "Drug", "properties": { "id": "CID:1140587", "label": "bas-02859604", "lsm": "LSM-6176", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1140587", "FDA_Category_D_L1000_Similarity": 0.488983, "FDA_Category_X_L1000_Similarity": 0.752481, "FDA_Category_D_and_X_L1000_Similarity": 0.650024, "Placenta_Crossing_L1000_Similarity": 0.80321, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)C#N", "InChI_key": "DPRBGPIAKRWMHH-CPNJWEJPSA-N" } }, "CID:11417954": { "type": "Drug", "properties": { "id": "CID:11417954", "label": "ADL-5859", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11417954", "FDA_Category_D_L1000_Similarity": -1.16346, "FDA_Category_D_Structural_Similarity": 1.46202, "FDA_Category_D_Weighted_Contribution": 0.665138, "FDA_Category_D_Top_Rank": -0.0210978, "FDA_Category_X_L1000_Similarity": 0.820386, "FDA_Category_X_Structural_Similarity": 0.238097, "FDA_Category_X_Weighted_Contribution": 0.541479, "FDA_Category_X_Top_Rank": -0.0719074, "FDA_Category_D_and_X_L1000_Similarity": -0.753781, "FDA_Category_D_and_X_Structural_Similarity": 1.2889, "FDA_Category_D_and_X_Weighted_Contribution": 0.715773, "FDA_Category_D_and_X_Top_Rank": -0.0325911, "Placenta_Crossing_L1000_Similarity": -0.467889, "Placenta_Crossing_Structural_Similarity": 0.219866, "Placenta_Crossing_Weighted_Contribution": -0.150219, "Placenta_Crossing_Top_Rank": -0.0772569, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:114829": { "type": "Drug", "properties": { "id": "CID:114829", "label": "5-deoxyflavanone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/114829", "FDA_Category_D_L1000_Similarity": 0.420732, "FDA_Category_D_Structural_Similarity": -0.62913, "FDA_Category_D_Weighted_Contribution": -0.444546, "FDA_Category_D_Top_Rank": -0.0868041, "FDA_Category_X_L1000_Similarity": 1.28467, "FDA_Category_X_Structural_Similarity": 0.437258, "FDA_Category_X_Weighted_Contribution": 1.02231, "FDA_Category_X_Top_Rank": -0.0602231, "FDA_Category_D_and_X_L1000_Similarity": 0.752805, "FDA_Category_D_and_X_Structural_Similarity": -0.263406, "FDA_Category_D_and_X_Weighted_Contribution": 0.0110509, "FDA_Category_D_and_X_Top_Rank": -0.0794529, "Placenta_Crossing_L1000_Similarity": 0.815974, "Placenta_Crossing_Structural_Similarity": -0.766353, "Placenta_Crossing_Weighted_Contribution": -0.435405, "Placenta_Crossing_Top_Rank": -0.0758674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O", "InChI_key": "FURUXTVZLHCCNA-AWEZNQCLSA-N" } }, "CID:114924": { "type": "Drug", "properties": { "id": "CID:114924", "label": "tetradecylthioacetic-acid", "lsm": "LSM-5584", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/114924", "FDA_Category_D_L1000_Similarity": 1.21697, "FDA_Category_D_Structural_Similarity": -0.886505, "FDA_Category_D_Weighted_Contribution": -0.268589, "FDA_Category_D_Top_Rank": -0.047272, "FDA_Category_X_L1000_Similarity": 1.57299, "FDA_Category_X_Structural_Similarity": -0.48671, "FDA_Category_X_Weighted_Contribution": 0.173873, "FDA_Category_X_Top_Rank": -0.041862, "FDA_Category_D_and_X_L1000_Similarity": 1.52674, "FDA_Category_D_and_X_Structural_Similarity": -0.966258, "FDA_Category_D_and_X_Weighted_Contribution": -0.230201, "FDA_Category_D_and_X_Top_Rank": -0.0195862, "Placenta_Crossing_L1000_Similarity": 1.25967, "Placenta_Crossing_Structural_Similarity": -0.937189, "Placenta_Crossing_Weighted_Contribution": -0.391207, "Placenta_Crossing_Top_Rank": -0.0585408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCSCC(=O)O", "InChI_key": "IPBCWPPBAWQYOO-UHFFFAOYSA-N" } }, "CID:11507802": { "type": "Drug", "properties": { "id": "CID:11507802", "label": "ly-2183240", "lsm": "LSM-2839", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11507802", "FDA_Category_D_L1000_Similarity": 0.60642, "FDA_Category_D_Structural_Similarity": 1.70438, "FDA_Category_D_Weighted_Contribution": 2.0425, "FDA_Category_D_Top_Rank": 0.00624677, "FDA_Category_X_L1000_Similarity": 1.01081, "FDA_Category_X_Structural_Similarity": -0.0847931, "FDA_Category_X_Weighted_Contribution": 0.29853, "FDA_Category_X_Top_Rank": -0.0710803, "FDA_Category_D_and_X_L1000_Similarity": 0.829716, "FDA_Category_D_and_X_Structural_Similarity": 1.30703, "FDA_Category_D_and_X_Weighted_Contribution": 1.67898, "FDA_Category_D_and_X_Top_Rank": -0.0307278, "Placenta_Crossing_L1000_Similarity": -0.0567224, "Placenta_Crossing_Structural_Similarity": 1.12784, "Placenta_Crossing_Weighted_Contribution": 0.970382, "Placenta_Crossing_Top_Rank": -0.0440698, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3", "InChI_key": "GZNIYOXWFCDBBJ-UHFFFAOYSA-N" } }, "CID:115348": { "type": "Drug", "properties": { "id": "CID:115348", "label": "n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/115348", "FDA_Category_D_L1000_Similarity": 0.186533, "FDA_Category_D_Structural_Similarity": -0.795919, "FDA_Category_D_Weighted_Contribution": -0.679175, "FDA_Category_D_Top_Rank": -0.0903594, "FDA_Category_X_L1000_Similarity": 0.0543864, "FDA_Category_X_Structural_Similarity": 0.184051, "FDA_Category_X_Weighted_Contribution": 0.0837661, "FDA_Category_X_Top_Rank": -0.073908, "FDA_Category_D_and_X_L1000_Similarity": 0.17731, "FDA_Category_D_and_X_Structural_Similarity": -0.532419, "FDA_Category_D_and_X_Weighted_Contribution": -0.495388, "FDA_Category_D_and_X_Top_Rank": -0.09052, "Placenta_Crossing_L1000_Similarity": 0.143125, "Placenta_Crossing_Structural_Similarity": -0.608209, "Placenta_Crossing_Weighted_Contribution": -0.578743, "Placenta_Crossing_Top_Rank": -0.0871431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I", "InChI_key": "FJDDSMSDZHURBJ-UHFFFAOYSA-N" } }, "CID:115368": { "type": "Drug", "properties": { "id": "CID:115368", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID115368", "label": "perospirone", "FDA_Category_D_L1000_Similarity": -0.753438, "FDA_Category_D_Structural_Similarity": -0.0546989, "FDA_Category_D_Weighted_Contribution": -0.534892, "FDA_Category_D_Top_Rank": -0.0864532, "FDA_Category_X_L1000_Similarity": -0.516907, "FDA_Category_X_Structural_Similarity": -0.587641, "FDA_Category_X_Weighted_Contribution": -0.82496, "FDA_Category_X_Top_Rank": -0.0900845, "FDA_Category_D_and_X_L1000_Similarity": -0.806448, "FDA_Category_D_and_X_Structural_Similarity": -0.360504, "FDA_Category_D_and_X_Weighted_Contribution": -0.771471, "FDA_Category_D_and_X_Top_Rank": -0.0924766, "Placenta_Crossing_L1000_Similarity": -1.04118, "Placenta_Crossing_Structural_Similarity": -0.500537, "Placenta_Crossing_Weighted_Contribution": -0.918681, "Placenta_Crossing_Top_Rank": -0.0897051, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54", "InChI_key": "FBVFZWUMDDXLLG-HDICACEKSA-N" } }, "CID:11612883": { "type": "Drug", "properties": { "id": "CID:11612883", "label": "PF-573228", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11612883", "FDA_Category_D_L1000_Similarity": -0.603922, "FDA_Category_D_Structural_Similarity": 1.50235, "FDA_Category_D_Weighted_Contribution": 1.06273, "FDA_Category_D_Top_Rank": -0.0170392, "FDA_Category_X_L1000_Similarity": -0.127834, "FDA_Category_X_Structural_Similarity": -0.498753, "FDA_Category_X_Weighted_Contribution": -0.612371, "FDA_Category_X_Top_Rank": -0.08839, "FDA_Category_D_and_X_L1000_Similarity": -0.559415, "FDA_Category_D_and_X_Structural_Similarity": 0.923313, "FDA_Category_D_and_X_Weighted_Contribution": 0.450693, "FDA_Category_D_and_X_Top_Rank": -0.0568125, "Placenta_Crossing_L1000_Similarity": -1.52728, "Placenta_Crossing_Structural_Similarity": -0.502256, "Placenta_Crossing_Weighted_Contribution": -1.06491, "Placenta_Crossing_Top_Rank": -0.089727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11715767": { "type": "Drug", "properties": { "id": "CID:11715767", "label": "PHA-767491", "lsm": "LSM-6304", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11715767", "FDA_Category_D_L1000_Similarity": 0.897052, "FDA_Category_D_Structural_Similarity": -0.960238, "FDA_Category_D_Weighted_Contribution": -0.486652, "FDA_Category_D_Top_Rank": -0.0715975, "FDA_Category_X_L1000_Similarity": -0.0376, "FDA_Category_X_Structural_Similarity": -0.598897, "FDA_Category_X_Weighted_Contribution": -0.655429, "FDA_Category_X_Top_Rank": -0.0878281, "FDA_Category_D_and_X_L1000_Similarity": 0.761861, "FDA_Category_D_and_X_Structural_Similarity": -1.08532, "FDA_Category_D_and_X_Weighted_Contribution": -0.663965, "FDA_Category_D_and_X_Top_Rank": -0.0791387, "Placenta_Crossing_L1000_Similarity": 0.721519, "Placenta_Crossing_Structural_Similarity": -0.965179, "Placenta_Crossing_Weighted_Contribution": -0.626311, "Placenta_Crossing_Top_Rank": -0.0783747, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11848225": { "type": "Drug", "properties": { "id": "CID:11848225", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11848225", "label": "cebranopadol", "FDA_Category_D_L1000_Similarity": 0.254264, "FDA_Category_D_Structural_Similarity": -0.629682, "FDA_Category_D_Weighted_Contribution": -0.52303, "FDA_Category_D_Top_Rank": -0.0894853, "FDA_Category_X_L1000_Similarity": 0.655257, "FDA_Category_X_Structural_Similarity": -0.619136, "FDA_Category_X_Weighted_Contribution": -0.386976, "FDA_Category_X_Top_Rank": -0.0801056, "FDA_Category_D_and_X_L1000_Similarity": 0.418171, "FDA_Category_D_and_X_Structural_Similarity": -0.83387, "FDA_Category_D_and_X_Weighted_Contribution": -0.6213, "FDA_Category_D_and_X_Top_Rank": -0.0871904, "Placenta_Crossing_L1000_Similarity": 0.0271775, "Placenta_Crossing_Structural_Similarity": -0.231556, "Placenta_Crossing_Weighted_Contribution": -0.324279, "Placenta_Crossing_Top_Rank": -0.0864333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "CSMVOZKEWSOFER-RQNOJGIXSA-N" } }, "CID:119031": { "type": "Drug", "properties": { "id": "CID:119031", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID119031", "label": "marimastat", "FDA_Category_D_L1000_Similarity": 1.34273, "FDA_Category_D_Structural_Similarity": 0.208584, "FDA_Category_D_Weighted_Contribution": 0.895256, "FDA_Category_D_Top_Rank": -0.0328456, "FDA_Category_X_L1000_Similarity": 0.819986, "FDA_Category_X_Structural_Similarity": -0.556961, "FDA_Category_X_Weighted_Contribution": -0.258384, "FDA_Category_X_Top_Rank": -0.076448, "FDA_Category_D_and_X_L1000_Similarity": 1.40647, "FDA_Category_D_and_X_Structural_Similarity": -0.134978, "FDA_Category_D_and_X_Weighted_Contribution": 0.495222, "FDA_Category_D_and_X_Top_Rank": -0.0354125, "Placenta_Crossing_L1000_Similarity": 0.464757, "Placenta_Crossing_Structural_Similarity": -0.24276, "Placenta_Crossing_Weighted_Contribution": -0.140804, "Placenta_Crossing_Top_Rank": -0.0835315, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C", "InChI_key": "OCSMOTCMPXTDND-OUAUKWLOSA-N" } }, "CID:119570": { "type": "Drug", "properties": { "id": "CID:119570", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119570", "label": "pramipexole", "ref": "LSM-5243", "FDA_Category_D_L1000_Similarity": 0.815454, "FDA_Category_D_Structural_Similarity": 1.21619, "FDA_Category_D_Weighted_Contribution": 1.65688, "FDA_Category_D_Top_Rank": -0.039469, "FDA_Category_X_L1000_Similarity": 1.05408, "FDA_Category_X_Structural_Similarity": -0.240719, "FDA_Category_X_Weighted_Contribution": 0.159939, "FDA_Category_X_Top_Rank": -0.0697068, "FDA_Category_D_and_X_L1000_Similarity": 1.02305, "FDA_Category_D_and_X_Structural_Similarity": 0.835418, "FDA_Category_D_and_X_Weighted_Contribution": 1.29358, "FDA_Category_D_and_X_Top_Rank": -0.0619124, "Placenta_Crossing_L1000_Similarity": 0.772791, "Placenta_Crossing_Structural_Similarity": 2.69483, "Placenta_Crossing_Weighted_Contribution": 2.92518, "Placenta_Crossing_Top_Rank": 0.125425, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNC1CCC2=C(C1)SC(=N2)N", "InChI_key": "FASDKYOPVNHBLU-ZETCQYMHSA-N" } }, "CID:11957615": { "type": "Drug", "properties": { "id": "CID:11957615", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11957615", "label": "lisuride", "FDA_Category_D_L1000_Similarity": 0.394241, "FDA_Category_D_Structural_Similarity": 0.820894, "FDA_Category_D_Weighted_Contribution": 0.957035, "FDA_Category_D_Top_Rank": -0.0596946, "FDA_Category_X_L1000_Similarity": 1.19119, "FDA_Category_X_Structural_Similarity": -0.130629, "FDA_Category_X_Weighted_Contribution": 0.345202, "FDA_Category_X_Top_Rank": -0.0646329, "FDA_Category_D_and_X_L1000_Similarity": 0.701585, "FDA_Category_D_and_X_Structural_Similarity": 0.581067, "FDA_Category_D_and_X_Weighted_Contribution": 0.829538, "FDA_Category_D_and_X_Top_Rank": -0.0715464, "Placenta_Crossing_L1000_Similarity": 0.81067, "Placenta_Crossing_Structural_Similarity": -0.227961, "Placenta_Crossing_Weighted_Contribution": 0.0342221, "Placenta_Crossing_Top_Rank": -0.0760613, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C", "InChI_key": "BKRGVLQUQGGVSM-RDTXWAMCSA-N" } }, "CID:1206243": { "type": "Drug", "properties": { "id": "CID:1206243", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1206243", "label": "mirin", "FDA_Category_D_L1000_Similarity": -0.0827534, "FDA_Category_D_Structural_Similarity": -0.716495, "FDA_Category_D_Weighted_Contribution": -0.735418, "FDA_Category_D_Top_Rank": -0.0928755, "FDA_Category_X_L1000_Similarity": 0.185649, "FDA_Category_X_Structural_Similarity": -0.315262, "FDA_Category_X_Weighted_Contribution": -0.326449, "FDA_Category_X_Top_Rank": -0.0860796, "FDA_Category_D_and_X_L1000_Similarity": -0.0149545, "FDA_Category_D_and_X_Structural_Similarity": -0.738806, "FDA_Category_D_and_X_Weighted_Contribution": -0.726721, "FDA_Category_D_and_X_Top_Rank": -0.0923177, "Placenta_Crossing_L1000_Similarity": 0.0533455, "Placenta_Crossing_Structural_Similarity": 0.124194, "Placenta_Crossing_Weighted_Contribution": 0.00415733, "Placenta_Crossing_Top_Rank": -0.0794395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C=C2C(=O)N=C(S2)N)O", "InChI_key": "YBHQCJILTOVLHD-YVMONPNESA-N" } }, "CID:121930": { "type": "Drug", "properties": { "id": "CID:121930", "label": "ly-165163", "lsm": "LSM-2302", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/121930", "FDA_Category_D_L1000_Similarity": -1.00299, "FDA_Category_D_Structural_Similarity": 0.19739, "FDA_Category_D_Weighted_Contribution": -0.450393, "FDA_Category_D_Top_Rank": -0.0799769, "FDA_Category_X_L1000_Similarity": 1.13557, "FDA_Category_X_Structural_Similarity": 0.246357, "FDA_Category_X_Weighted_Contribution": 0.723925, "FDA_Category_X_Top_Rank": -0.0668522, "FDA_Category_D_and_X_L1000_Similarity": -0.519747, "FDA_Category_D_and_X_Structural_Similarity": 0.289604, "FDA_Category_D_and_X_Weighted_Contribution": -0.134844, "FDA_Category_D_and_X_Top_Rank": -0.0796547, "Placenta_Crossing_L1000_Similarity": -1.17553, "Placenta_Crossing_Structural_Similarity": 1.31129, "Placenta_Crossing_Weighted_Contribution": 0.563033, "Placenta_Crossing_Top_Rank": -0.0322116, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCC2=CC=C(C=C2)N)C3=CC=CC(=C3)C(F)(F)F", "InChI_key": "GAAKALASJNGQKD-UHFFFAOYSA-N" } }, "CID:122272": { "type": "Drug", "properties": { "id": "CID:122272", "label": "bms-182874", "lsm": "LSM-3258", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122272", "FDA_Category_D_L1000_Similarity": 0.264245, "FDA_Category_D_Structural_Similarity": -0.781699, "FDA_Category_D_Weighted_Contribution": -0.635101, "FDA_Category_D_Top_Rank": -0.0893642, "FDA_Category_X_L1000_Similarity": -0.208992, "FDA_Category_X_Structural_Similarity": -0.594993, "FDA_Category_X_Weighted_Contribution": -0.717891, "FDA_Category_X_Top_Rank": -0.0888426, "FDA_Category_D_and_X_L1000_Similarity": 0.164319, "FDA_Category_D_and_X_Structural_Similarity": -0.941501, "FDA_Category_D_and_X_Weighted_Contribution": -0.796156, "FDA_Category_D_and_X_Top_Rank": -0.0906577, "Placenta_Crossing_L1000_Similarity": 1.08303, "Placenta_Crossing_Structural_Similarity": -0.67543, "Placenta_Crossing_Weighted_Contribution": -0.245797, "Placenta_Crossing_Top_Rank": -0.0671529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C", "InChI_key": "MJRGSRRZKSJHOE-UHFFFAOYSA-N" } }, "CID:122327": { "type": "Drug", "properties": { "id": "CID:122327", "label": "ci-976", "lsm": "LSM-6282", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122327", "FDA_Category_D_L1000_Similarity": 2.0046, "FDA_Category_D_Structural_Similarity": 0.0460828, "FDA_Category_D_Weighted_Contribution": 1.14063, "FDA_Category_D_Top_Rank": 0.200697, "FDA_Category_X_L1000_Similarity": 0.875265, "FDA_Category_X_Structural_Similarity": -0.1227, "FDA_Category_X_Weighted_Contribution": 0.189072, "FDA_Category_X_Top_Rank": -0.0750761, "FDA_Category_D_and_X_L1000_Similarity": 1.9938, "FDA_Category_D_and_X_Structural_Similarity": -0.0296317, "FDA_Category_D_and_X_Weighted_Contribution": 0.950268, "FDA_Category_D_and_X_Top_Rank": 0.0935951, "Placenta_Crossing_L1000_Similarity": 1.51668, "Placenta_Crossing_Structural_Similarity": 2.1219, "Placenta_Crossing_Weighted_Contribution": 2.76768, "Placenta_Crossing_Top_Rank": 0.043794, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC", "InChI_key": "WAFNZAURAWBNDZ-UHFFFAOYSA-N" } }, "CID:123831": { "type": "Drug", "properties": { "id": "CID:123831", "label": "n,n-dimethylarginine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123831", "FDA_Category_D_L1000_Similarity": 0.594816, "FDA_Category_D_Structural_Similarity": -0.422037, "FDA_Category_D_Weighted_Contribution": -0.180148, "FDA_Category_D_Top_Rank": -0.0827974, "FDA_Category_X_L1000_Similarity": 0.832567, "FDA_Category_X_Structural_Similarity": 2.61354, "FDA_Category_X_Weighted_Contribution": 3.06071, "FDA_Category_X_Top_Rank": 0.128783, "FDA_Category_D_and_X_L1000_Similarity": 0.765575, "FDA_Category_D_and_X_Structural_Similarity": 1.07528, "FDA_Category_D_and_X_Weighted_Contribution": 1.39569, "FDA_Category_D_and_X_Top_Rank": -0.0481498, "Placenta_Crossing_L1000_Similarity": 1.46514, "Placenta_Crossing_Structural_Similarity": -0.165245, "Placenta_Crossing_Weighted_Contribution": 0.422075, "Placenta_Crossing_Top_Rank": -0.0433537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=NCCCC(C(=O)O)N)N", "InChI_key": "YDGMGEXADBMOMJ-LURJTMIESA-N" } }, "CID:123964": { "type": "Drug", "properties": { "id": "CID:123964", "label": "vadimezan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123964", "FDA_Category_D_L1000_Similarity": -0.767113, "FDA_Category_D_Structural_Similarity": -0.2972, "FDA_Category_D_Weighted_Contribution": -0.722247, "FDA_Category_D_Top_Rank": -0.0913548, "FDA_Category_X_L1000_Similarity": 0.0438117, "FDA_Category_X_Structural_Similarity": -0.395863, "FDA_Category_X_Weighted_Contribution": -0.457877, "FDA_Category_X_Top_Rank": -0.0872914, "FDA_Category_D_and_X_L1000_Similarity": -0.647953, "FDA_Category_D_and_X_Structural_Similarity": -0.449498, "FDA_Category_D_and_X_Weighted_Contribution": -0.77157, "FDA_Category_D_and_X_Top_Rank": -0.0934972, "Placenta_Crossing_L1000_Similarity": -1.68844, "Placenta_Crossing_Structural_Similarity": -0.114615, "Placenta_Crossing_Weighted_Contribution": -0.882436, "Placenta_Crossing_Top_Rank": -0.0844704, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C", "InChI_key": "XGOYIMQSIKSOBS-UHFFFAOYSA-N" } }, "CID:1243": { "type": "Drug", "properties": { "id": "CID:1243", "label": "skf-83566", "lsm": "LSM-1623", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1243", "FDA_Category_D_L1000_Similarity": 0.415043, "FDA_Category_D_Structural_Similarity": -0.181336, "FDA_Category_D_Weighted_Contribution": -0.0565153, "FDA_Category_D_Top_Rank": -0.0869102, "FDA_Category_X_L1000_Similarity": 0.763591, "FDA_Category_X_Structural_Similarity": -0.507363, "FDA_Category_X_Weighted_Contribution": -0.238885, "FDA_Category_X_Top_Rank": -0.0778678, "FDA_Category_D_and_X_L1000_Similarity": 0.58966, "FDA_Category_D_and_X_Structural_Similarity": -0.4177, "FDA_Category_D_and_X_Weighted_Contribution": -0.210035, "FDA_Category_D_and_X_Top_Rank": -0.0837622, "Placenta_Crossing_L1000_Similarity": 1.27635, "Placenta_Crossing_Structural_Similarity": -0.768567, "Placenta_Crossing_Weighted_Contribution": -0.241513, "Placenta_Crossing_Top_Rank": -0.0572428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br", "InChI_key": "XFTVOHWWEQGXLS-UHFFFAOYSA-N" } }, "CID:124334": { "type": "Drug", "properties": { "id": "CID:124334", "label": "pit", "lsm": "LSM-2971", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/124334", "FDA_Category_D_L1000_Similarity": 0.683428, "FDA_Category_D_Structural_Similarity": -0.858558, "FDA_Category_D_Weighted_Contribution": -0.505302, "FDA_Category_D_Top_Rank": -0.0801988, "FDA_Category_X_L1000_Similarity": 1.71754, "FDA_Category_X_Structural_Similarity": -0.71844, "FDA_Category_X_Weighted_Contribution": 0.0140788, "FDA_Category_X_Top_Rank": -0.0285734, "FDA_Category_D_and_X_L1000_Similarity": 1.11071, "FDA_Category_D_and_X_Structural_Similarity": -1.06912, "FDA_Category_D_and_X_Weighted_Contribution": -0.505853, "FDA_Category_D_and_X_Top_Rank": -0.061883, "Placenta_Crossing_L1000_Similarity": 1.23891, "Placenta_Crossing_Structural_Similarity": -0.779538, "Placenta_Crossing_Weighted_Contribution": -0.267419, "Placenta_Crossing_Top_Rank": -0.0596767, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3", "InChI_key": "LXEZPPZLNVOLDI-UHFFFAOYSA-N" } }, "CID:12478": { "type": "Drug", "properties": { "id": "CID:12478", "label": "trimetozine", "lsm": "LSM-3176", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12478", "FDA_Category_D_L1000_Similarity": 0.899816, "FDA_Category_D_Structural_Similarity": -0.427605, "FDA_Category_D_Weighted_Contribution": -0.0213916, "FDA_Category_D_Top_Rank": -0.0714758, "FDA_Category_X_L1000_Similarity": 0.0706161, "FDA_Category_X_Structural_Similarity": -0.0814998, "FDA_Category_X_Weighted_Contribution": -0.165671, "FDA_Category_X_Top_Rank": -0.08177, "FDA_Category_D_and_X_L1000_Similarity": 0.797104, "FDA_Category_D_and_X_Structural_Similarity": -0.383373, "FDA_Category_D_and_X_Weighted_Contribution": -0.0762414, "FDA_Category_D_and_X_Top_Rank": -0.0778596, "Placenta_Crossing_L1000_Similarity": 1.03512, "Placenta_Crossing_Structural_Similarity": -0.53922, "Placenta_Crossing_Weighted_Contribution": -0.147178, "Placenta_Crossing_Top_Rank": -0.0692768, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOCC2", "InChI_key": "XWVOEFLBOSSYGM-UHFFFAOYSA-N" } }, "CID:12492": { "type": "Drug", "properties": { "id": "CID:12492", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID12492", "label": "clopamide", "FDA_Category_D_L1000_Similarity": 0.1673, "FDA_Category_D_Structural_Similarity": -0.845551, "FDA_Category_D_Weighted_Contribution": -0.723083, "FDA_Category_D_Top_Rank": -0.0905635, "FDA_Category_X_L1000_Similarity": 0.434014, "FDA_Category_X_Structural_Similarity": -0.690278, "FDA_Category_X_Weighted_Contribution": -0.540309, "FDA_Category_X_Top_Rank": -0.0833424, "FDA_Category_D_and_X_L1000_Similarity": 0.276014, "FDA_Category_D_and_X_Structural_Similarity": -1.0436, "FDA_Category_D_and_X_Weighted_Contribution": -0.822219, "FDA_Category_D_and_X_Top_Rank": -0.0892934, "Placenta_Crossing_L1000_Similarity": 0.822122, "Placenta_Crossing_Structural_Similarity": -0.926517, "Placenta_Crossing_Weighted_Contribution": -0.558842, "Placenta_Crossing_Top_Rank": -0.0757079, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCC(N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C", "InChI_key": "LBXHRAWDUMTPSE-AOOOYVTPSA-N" } }, "CID:12555": { "type": "Drug", "properties": { "id": "CID:12555", "label": "benzydamine", "lsm": "LSM-5423", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12555", "FDA_Category_D_L1000_Similarity": 0.588554, "FDA_Category_D_Structural_Similarity": 0.067487, "FDA_Category_D_Weighted_Contribution": 0.283038, "FDA_Category_D_Top_Rank": -0.0829475, "FDA_Category_X_L1000_Similarity": 2.50982, "FDA_Category_X_Structural_Similarity": -0.105082, "FDA_Category_X_Weighted_Contribution": 1.10269, "FDA_Category_X_Top_Rank": 0.160095, "FDA_Category_D_and_X_L1000_Similarity": 1.26953, "FDA_Category_D_and_X_Structural_Similarity": -0.00313647, "FDA_Category_D_and_X_Weighted_Contribution": 0.551717, "FDA_Category_D_and_X_Top_Rank": -0.0496307, "Placenta_Crossing_L1000_Similarity": 1.34803, "Placenta_Crossing_Structural_Similarity": -0.96816, "Placenta_Crossing_Weighted_Contribution": -0.379793, "Placenta_Crossing_Top_Rank": -0.0526317, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3", "InChI_key": "CNBGNNVCVSKAQZ-UHFFFAOYSA-N" } }, "CID:126388": { "type": "Drug", "properties": { "id": "CID:126388", "label": "bd-1008", "lsm": "LSM-2367", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/126388", "FDA_Category_D_L1000_Similarity": 1.50649, "FDA_Category_D_Structural_Similarity": 0.389715, "FDA_Category_D_Weighted_Contribution": 1.19749, "FDA_Category_D_Top_Rank": -0.0067832, "FDA_Category_X_L1000_Similarity": 1.27837, "FDA_Category_X_Structural_Similarity": 0.198574, "FDA_Category_X_Weighted_Contribution": 0.750247, "FDA_Category_X_Top_Rank": -0.0604841, "FDA_Category_D_and_X_L1000_Similarity": 1.68683, "FDA_Category_D_and_X_Structural_Similarity": 0.416472, "FDA_Category_D_and_X_Weighted_Contribution": 1.24342, "FDA_Category_D_and_X_Top_Rank": 0.00695374, "Placenta_Crossing_L1000_Similarity": 0.255762, "Placenta_Crossing_Structural_Similarity": -0.100073, "Placenta_Crossing_Weighted_Contribution": -0.107752, "Placenta_Crossing_Top_Rank": -0.0841808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2", "InChI_key": "ASGIQUHBAVIOTI-UHFFFAOYSA-N" } }, "CID:126688": { "type": "Drug", "properties": { "id": "CID:126688", "label": "amthamine", "lsm": "LSM-2874", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/126688", "FDA_Category_D_L1000_Similarity": 0.724251, "FDA_Category_D_Structural_Similarity": 0.341982, "FDA_Category_D_Weighted_Contribution": 0.649597, "FDA_Category_D_Top_Rank": -0.0760066, "FDA_Category_X_L1000_Similarity": -0.397998, "FDA_Category_X_Structural_Similarity": -0.598127, "FDA_Category_X_Weighted_Contribution": -0.78989, "FDA_Category_X_Top_Rank": -0.0896737, "FDA_Category_D_and_X_L1000_Similarity": 0.503449, "FDA_Category_D_and_X_Structural_Similarity": -0.0513111, "FDA_Category_D_and_X_Weighted_Contribution": 0.0787737, "FDA_Category_D_and_X_Top_Rank": -0.0855588, "Placenta_Crossing_L1000_Similarity": 0.188834, "Placenta_Crossing_Structural_Similarity": -0.25626, "Placenta_Crossing_Weighted_Contribution": -0.275526, "Placenta_Crossing_Top_Rank": -0.0866938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC(=N1)N)CCN", "InChI_key": "LHVRFUVVRXGZPV-UHFFFAOYSA-N" } }, "CID:127861": { "type": "Drug", "properties": { "id": "CID:127861", "label": "bmy-45778", "lsm": "LSM-3901", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/127861", "FDA_Category_D_L1000_Similarity": -2.09231, "FDA_Category_D_Structural_Similarity": 0.905826, "FDA_Category_D_Weighted_Contribution": -0.392422, "FDA_Category_D_Top_Rank": -0.0550783, "FDA_Category_X_L1000_Similarity": -1.16718, "FDA_Category_X_Structural_Similarity": 1.91206, "FDA_Category_X_Weighted_Contribution": 1.30472, "FDA_Category_X_Top_Rank": 0.0304555, "FDA_Category_D_and_X_L1000_Similarity": -2.15806, "FDA_Category_D_and_X_Structural_Similarity": 1.75071, "FDA_Category_D_and_X_Weighted_Contribution": 0.381264, "FDA_Category_D_and_X_Top_Rank": 0.0102081, "Placenta_Crossing_L1000_Similarity": -2.88538, "Placenta_Crossing_Structural_Similarity": -1.04482, "Placenta_Crossing_Weighted_Contribution": -1.57616, "Placenta_Crossing_Top_Rank": -0.0925576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=C(OC(=N2)C3=C(OC=N3)C4=CC(=CC=C4)OCC(=O)O)C5=CC=CC=C5", "InChI_key": "DSRSEEYZGWTODH-UHFFFAOYSA-N" } }, "CID:12791166": { "type": "Drug", "properties": { "id": "CID:12791166", "label": "ketocholesterol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12791166", "FDA_Category_D_L1000_Similarity": 0.495848, "FDA_Category_D_Structural_Similarity": 0.208839, "FDA_Category_D_Weighted_Contribution": 0.371292, "FDA_Category_D_Top_Rank": -0.0796646, "FDA_Category_X_L1000_Similarity": -1.67345, "FDA_Category_X_Structural_Similarity": 2.2261, "FDA_Category_X_Weighted_Contribution": 1.37399, "FDA_Category_X_Top_Rank": 0.0692976, "FDA_Category_D_and_X_L1000_Similarity": -0.0807704, "FDA_Category_D_and_X_Structural_Similarity": 1.36695, "FDA_Category_D_and_X_Weighted_Contribution": 1.20016, "FDA_Category_D_and_X_Top_Rank": -0.0256599, "Placenta_Crossing_L1000_Similarity": -0.188299, "Placenta_Crossing_Structural_Similarity": 0.39088, "Placenta_Crossing_Weighted_Contribution": 0.141151, "Placenta_Crossing_Top_Rank": -0.0727726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1285940": { "type": "Drug", "properties": { "id": "CID:1285940", "label": "brd-k68548958", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1285940", "FDA_Category_D_L1000_Similarity": -0.921588, "FDA_Category_D_Structural_Similarity": 0.31041, "FDA_Category_D_Weighted_Contribution": -0.316387, "FDA_Category_D_Top_Rank": -0.0769347, "FDA_Category_X_L1000_Similarity": -0.349245, "FDA_Category_X_Structural_Similarity": 0.157735, "FDA_Category_X_Weighted_Contribution": -0.138285, "FDA_Category_X_Top_Rank": -0.0749008, "FDA_Category_D_and_X_L1000_Similarity": -0.900482, "FDA_Category_D_and_X_Structural_Similarity": 0.33149, "FDA_Category_D_and_X_Weighted_Contribution": -0.284015, "FDA_Category_D_and_X_Top_Rank": -0.0786823, "Placenta_Crossing_L1000_Similarity": -0.00364471, "Placenta_Crossing_Structural_Similarity": -0.595478, "Placenta_Crossing_Weighted_Contribution": -0.624963, "Placenta_Crossing_Top_Rank": -0.0883852, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C", "InChI_key": "HEKJYZZSCQBJGB-XDHOZWIPSA-N" } }, "CID:129009857": { "type": "Drug", "properties": { "id": "CID:129009857", "label": "tobramycin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129009857", "FDA_Category_D_L1000_Similarity": 1.09815, "FDA_Category_X_L1000_Similarity": 0.239421, "FDA_Category_D_and_X_L1000_Similarity": 1.01933, "Placenta_Crossing_L1000_Similarity": 0.558013, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129009888": { "type": "Drug", "properties": { "id": "CID:129009888", "label": "ursodiol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129009888", "FDA_Category_D_L1000_Similarity": -0.0999923, "FDA_Category_X_L1000_Similarity": 0.674482, "FDA_Category_D_and_X_L1000_Similarity": 0.118621, "Placenta_Crossing_L1000_Similarity": 1.20842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129010088": { "type": "Drug", "properties": { "id": "CID:129010088", "label": "bilobalide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010088", "FDA_Category_D_L1000_Similarity": -0.539871, "FDA_Category_D_Structural_Similarity": 0.320678, "FDA_Category_D_Weighted_Contribution": -0.109257, "FDA_Category_D_Top_Rank": -0.0765834, "FDA_Category_X_L1000_Similarity": 0.889071, "FDA_Category_X_Structural_Similarity": 0.108792, "FDA_Category_X_Weighted_Contribution": 0.439016, "FDA_Category_X_Top_Rank": -0.0747328, "FDA_Category_D_and_X_L1000_Similarity": -0.195389, "FDA_Category_D_and_X_Structural_Similarity": 0.31323, "FDA_Category_D_and_X_Weighted_Contribution": 0.0531613, "FDA_Category_D_and_X_Top_Rank": -0.0790988, "Placenta_Crossing_L1000_Similarity": -0.0652193, "Placenta_Crossing_Structural_Similarity": -0.148463, "Placenta_Crossing_Weighted_Contribution": -0.293564, "Placenta_Crossing_Top_Rank": -0.085145, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129360": { "type": "Drug", "properties": { "id": "CID:129360", "label": "l-670596", "lsm": "LSM-1870", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129360", "FDA_Category_D_L1000_Similarity": 0.26295, "FDA_Category_D_Structural_Similarity": 2.18813, "FDA_Category_D_Weighted_Contribution": 2.32551, "FDA_Category_D_Top_Rank": 0.0803305, "FDA_Category_X_L1000_Similarity": 0.711598, "FDA_Category_X_Structural_Similarity": 2.04687, "FDA_Category_X_Weighted_Contribution": 2.48063, "FDA_Category_X_Top_Rank": 0.0442746, "FDA_Category_D_and_X_L1000_Similarity": 0.44277, "FDA_Category_D_and_X_Structural_Similarity": 2.84123, "FDA_Category_D_and_X_Weighted_Contribution": 2.89969, "FDA_Category_D_and_X_Top_Rank": 0.160344, "Placenta_Crossing_L1000_Similarity": 0.817646, "Placenta_Crossing_Structural_Similarity": 1.17442, "Placenta_Crossing_Weighted_Contribution": 1.49921, "Placenta_Crossing_Top_Rank": -0.0409053, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(CCCC3CC(=O)O)C4=C2C(=CC(=C4)F)F", "InChI_key": "GMJWAIMJHBTYPD-UHFFFAOYSA-N" } }, "CID:129989": { "type": "Drug", "properties": { "id": "CID:129989", "label": "aq-ra741", "lsm": "LSM-3833", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129989", "FDA_Category_D_L1000_Similarity": -0.354687, "FDA_Category_D_Structural_Similarity": -0.699978, "FDA_Category_D_Weighted_Contribution": -0.833577, "FDA_Category_D_Top_Rank": -0.0945133, "FDA_Category_X_L1000_Similarity": 0.319262, "FDA_Category_X_Structural_Similarity": -0.163623, "FDA_Category_X_Weighted_Contribution": -0.125836, "FDA_Category_X_Top_Rank": -0.0837488, "FDA_Category_D_and_X_L1000_Similarity": -0.208791, "FDA_Category_D_and_X_Structural_Similarity": -0.643872, "FDA_Category_D_and_X_Weighted_Contribution": -0.736211, "FDA_Category_D_and_X_Top_Rank": -0.0936961, "Placenta_Crossing_L1000_Similarity": 0.544561, "Placenta_Crossing_Structural_Similarity": -0.871763, "Placenta_Crossing_Weighted_Contribution": -0.623613, "Placenta_Crossing_Top_Rank": -0.0821962, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4", "InChI_key": "BCUGCHZRMKTPMU-UHFFFAOYSA-N" } }, "CID:13019152": { "type": "Drug", "properties": { "id": "CID:13019152", "label": "isosorbide", "lsm": "LSM-5883", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13019152", "FDA_Category_D_L1000_Similarity": -0.0789869, "FDA_Category_D_Structural_Similarity": -0.214145, "FDA_Category_D_Weighted_Contribution": -0.342901, "FDA_Category_D_Top_Rank": -0.0898051, "FDA_Category_X_L1000_Similarity": -0.164796, "FDA_Category_X_Structural_Similarity": -0.24746, "FDA_Category_X_Weighted_Contribution": -0.420383, "FDA_Category_X_Top_Rank": -0.0854947, "FDA_Category_D_and_X_L1000_Similarity": -0.118139, "FDA_Category_D_and_X_Structural_Similarity": -0.303498, "FDA_Category_D_and_X_Weighted_Contribution": -0.445527, "FDA_Category_D_and_X_Top_Rank": -0.0917691, "Placenta_Crossing_L1000_Similarity": 0.291674, "Placenta_Crossing_Structural_Similarity": 0.199414, "Placenta_Crossing_Weighted_Contribution": 0.191704, "Placenta_Crossing_Top_Rank": -0.0777532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13121776": { "type": "Drug", "properties": { "id": "CID:13121776", "label": "nafcilline", "lsm": "LSM-5446", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13121776", "FDA_Category_D_L1000_Similarity": -0.217907, "FDA_Category_D_Structural_Similarity": -0.132241, "FDA_Category_D_Weighted_Contribution": -0.342431, "FDA_Category_D_Top_Rank": -0.0882047, "FDA_Category_X_L1000_Similarity": -1.33859, "FDA_Category_X_Structural_Similarity": -0.408757, "FDA_Category_X_Weighted_Contribution": -0.981744, "FDA_Category_X_Top_Rank": -0.0883459, "FDA_Category_D_and_X_L1000_Similarity": -0.594346, "FDA_Category_D_and_X_Structural_Similarity": -0.325525, "FDA_Category_D_and_X_Weighted_Contribution": -0.664291, "FDA_Category_D_and_X_Top_Rank": -0.0920602, "Placenta_Crossing_L1000_Similarity": -0.957801, "Placenta_Crossing_Structural_Similarity": 5.60518, "Placenta_Crossing_Weighted_Contribution": 3.97723, "Placenta_Crossing_Top_Rank": 1.44875, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:131682": { "type": "Drug", "properties": { "id": "CID:131682", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID131682", "label": "safinamide", "FDA_Category_D_L1000_Similarity": 0.321352, "FDA_Category_D_Structural_Similarity": -0.729824, "FDA_Category_D_Weighted_Contribution": -0.570413, "FDA_Category_D_Top_Rank": -0.0885051, "FDA_Category_X_L1000_Similarity": 0.376865, "FDA_Category_X_Structural_Similarity": -0.570605, "FDA_Category_X_Weighted_Contribution": -0.4647, "FDA_Category_X_Top_Rank": -0.0840694, "FDA_Category_D_and_X_L1000_Similarity": 0.391462, "FDA_Category_D_and_X_Structural_Similarity": -0.887167, "FDA_Category_D_and_X_Weighted_Contribution": -0.67076, "FDA_Category_D_and_X_Top_Rank": -0.0875872, "Placenta_Crossing_L1000_Similarity": 0.845759, "Placenta_Crossing_Structural_Similarity": -0.137529, "Placenta_Crossing_Weighted_Contribution": 0.137457, "Placenta_Crossing_Top_Rank": -0.0751265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F", "InChI_key": "NEMGRZFTLSKBAP-LBPRGKRZSA-N" } }, "CID:132252": { "type": "Drug", "properties": { "id": "CID:132252", "label": "cgp-52432", "lsm": "LSM-1264", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132252", "FDA_Category_D_L1000_Similarity": 0.936132, "FDA_Category_D_Structural_Similarity": -0.736397, "FDA_Category_D_Weighted_Contribution": -0.281048, "FDA_Category_D_Top_Rank": -0.0693728, "FDA_Category_X_L1000_Similarity": 0.781037, "FDA_Category_X_Structural_Similarity": 1.04897, "FDA_Category_X_Weighted_Contribution": 1.43227, "FDA_Category_X_Top_Rank": -0.0383442, "FDA_Category_D_and_X_L1000_Similarity": 1.04414, "FDA_Category_D_and_X_Structural_Similarity": -0.0184684, "FDA_Category_D_and_X_Weighted_Contribution": 0.407304, "FDA_Category_D_and_X_Top_Rank": -0.0663071, "Placenta_Crossing_L1000_Similarity": 1.33064, "Placenta_Crossing_Structural_Similarity": -0.792688, "Placenta_Crossing_Weighted_Contribution": -0.238542, "Placenta_Crossing_Top_Rank": -0.0536865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(OCC)P(=O)(CCCNCC1=CC(=C(C=C1)Cl)Cl)O", "InChI_key": "GJZVQXWEIYRHBE-UHFFFAOYSA-N" } }, "CID:133002": { "type": "Drug", "properties": { "id": "CID:133002", "label": "pg-9", "lsm": "LSM-1747", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133002", "FDA_Category_D_L1000_Similarity": 0.264806, "FDA_Category_D_Structural_Similarity": 4.19426, "FDA_Category_D_Weighted_Contribution": 3.75451, "FDA_Category_D_Top_Rank": 0.633069, "FDA_Category_X_L1000_Similarity": 0.576223, "FDA_Category_X_Structural_Similarity": 0.412714, "FDA_Category_X_Weighted_Contribution": 0.598695, "FDA_Category_X_Top_Rank": -0.0652958, "FDA_Category_D_and_X_L1000_Similarity": 0.40326, "FDA_Category_D_and_X_Structural_Similarity": 3.55174, "FDA_Category_D_and_X_Weighted_Contribution": 3.36519, "FDA_Category_D_and_X_Top_Rank": 0.418942, "Placenta_Crossing_L1000_Similarity": 0.688284, "Placenta_Crossing_Structural_Similarity": 1.5042, "Placenta_Crossing_Weighted_Contribution": 1.77956, "Placenta_Crossing_Top_Rank": -0.0195084, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(C=C1)Br)C(=O)OC2CC3CCC(C2)N3C", "InChI_key": "GHDWIFTUSXQYGK-UHFFFAOYSA-N" } }, "CID:133106": { "type": "Drug", "properties": { "id": "CID:133106", "label": "SIB-1508Y", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133106", "FDA_Category_D_L1000_Similarity": 0.526941, "FDA_Category_D_Structural_Similarity": 2.09278, "FDA_Category_D_Weighted_Contribution": 2.38276, "FDA_Category_D_Top_Rank": 0.0647738, "FDA_Category_X_L1000_Similarity": -1.04741, "FDA_Category_X_Structural_Similarity": -0.261486, "FDA_Category_X_Weighted_Contribution": -0.781437, "FDA_Category_X_Top_Rank": -0.0857503, "FDA_Category_D_and_X_L1000_Similarity": 0.136164, "FDA_Category_D_and_X_Structural_Similarity": 1.51997, "FDA_Category_D_and_X_Weighted_Contribution": 1.49349, "FDA_Category_D_and_X_Top_Rank": -0.0126205, "Placenta_Crossing_L1000_Similarity": -0.503169, "Placenta_Crossing_Structural_Similarity": 1.73198, "Placenta_Crossing_Weighted_Contribution": 1.37821, "Placenta_Crossing_Top_Rank": 0.00157753, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:134117": { "type": "Drug", "properties": { "id": "CID:134117", "label": "bp-554", "lsm": "LSM-3007", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/134117", "FDA_Category_D_L1000_Similarity": 0.941247, "FDA_Category_D_Structural_Similarity": 0.135171, "FDA_Category_D_Weighted_Contribution": 0.56535, "FDA_Category_D_Top_Rank": -0.069133, "FDA_Category_X_L1000_Similarity": 0.574154, "FDA_Category_X_Structural_Similarity": 0.909633, "FDA_Category_X_Weighted_Contribution": 1.15519, "FDA_Category_X_Top_Rank": -0.0452454, "FDA_Category_D_and_X_L1000_Similarity": 0.985733, "FDA_Category_D_and_X_Structural_Similarity": 0.598121, "FDA_Category_D_and_X_Weighted_Contribution": 1.01713, "FDA_Category_D_and_X_Top_Rank": -0.070025, "Placenta_Crossing_L1000_Similarity": 0.973364, "Placenta_Crossing_Structural_Similarity": 0.365664, "Placenta_Crossing_Weighted_Contribution": 0.714595, "Placenta_Crossing_Top_Rank": -0.0712792, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCOC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4", "InChI_key": "VUSNBQDZGKZEDL-UHFFFAOYSA-N" } }, "CID:134780": { "type": "Drug", "properties": { "id": "CID:134780", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID134780", "label": "pomalidomide", "FDA_Category_D_L1000_Similarity": 1.50632, "FDA_Category_D_Structural_Similarity": -0.858191, "FDA_Category_D_Weighted_Contribution": -0.0914974, "FDA_Category_D_Top_Rank": -0.00694459, "FDA_Category_X_L1000_Similarity": 1.014, "FDA_Category_X_Structural_Similarity": -0.608546, "FDA_Category_X_Weighted_Contribution": -0.216734, "FDA_Category_X_Top_Rank": -0.0709732, "FDA_Category_D_and_X_L1000_Similarity": 1.6064, "FDA_Category_D_and_X_Structural_Similarity": -1.00953, "FDA_Category_D_and_X_Weighted_Contribution": -0.229, "FDA_Category_D_and_X_Top_Rank": -0.00621619, "Placenta_Crossing_L1000_Similarity": 1.49698, "Placenta_Crossing_Structural_Similarity": 1.68231, "Placenta_Crossing_Weighted_Contribution": 2.36805, "Placenta_Crossing_Top_Rank": -0.00382737, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N", "InChI_key": "UVSMNLNDYGZFPF-UHFFFAOYSA-N" } }, "CID:135398510": { "type": "Drug", "properties": { "id": "CID:135398510", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135398510", "label": "dovitinib", "FDA_Category_D_L1000_Similarity": 0.432354, "FDA_Category_D_Structural_Similarity": 1.0336, "FDA_Category_D_Weighted_Contribution": 1.21379, "FDA_Category_D_Top_Rank": -0.0487531, "FDA_Category_X_L1000_Similarity": -1.95278, "FDA_Category_X_Structural_Similarity": -0.579208, "FDA_Category_X_Weighted_Contribution": -1.25717, "FDA_Category_X_Top_Rank": -0.0908419, "FDA_Category_D_and_X_L1000_Similarity": -0.220328, "FDA_Category_D_and_X_Structural_Similarity": 0.507841, "FDA_Category_D_and_X_Weighted_Contribution": 0.226133, "FDA_Category_D_and_X_Top_Rank": -0.0736279, "Placenta_Crossing_L1000_Similarity": -0.666887, "Placenta_Crossing_Structural_Similarity": 4.20469, "Placenta_Crossing_Weighted_Contribution": 3.44891, "Placenta_Crossing_Top_Rank": 0.587088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N", "InChI_key": "PIQCTGMSNWUMAF-UHFFFAOYSA-N" } }, "CID:135412158": { "type": "Drug", "properties": { "id": "CID:135412158", "label": "om-137", "lsm": "LSM-5379", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135412158", "FDA_Category_D_L1000_Similarity": -0.278428, "FDA_Category_X_L1000_Similarity": -1.7572, "FDA_Category_D_and_X_L1000_Similarity": -0.773635, "Placenta_Crossing_L1000_Similarity": -0.401507, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC(=N1)N)C(=O)NN=CC2=CC(=C(C=C2)O)OC", "InChI_key": "AMHQGUWEVRTTJB-GIDUJCDVSA-N" } }, "CID:135511839": { "type": "Drug", "properties": { "id": "CID:135511839", "label": "carbadox", "lsm": "LSM-5843", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135511839", "FDA_Category_D_L1000_Similarity": 1.01144, "FDA_Category_D_Structural_Similarity": -0.318691, "FDA_Category_D_Weighted_Contribution": 0.14563, "FDA_Category_D_Top_Rank": -0.0647468, "FDA_Category_X_L1000_Similarity": 0.805636, "FDA_Category_X_Structural_Similarity": -0.625549, "FDA_Category_X_Weighted_Contribution": -0.326487, "FDA_Category_X_Top_Rank": -0.0767842, "FDA_Category_D_and_X_L1000_Similarity": 1.11654, "FDA_Category_D_and_X_Structural_Similarity": -0.590493, "FDA_Category_D_and_X_Weighted_Contribution": -0.101579, "FDA_Category_D_and_X_Top_Rank": -0.0614054, "Placenta_Crossing_L1000_Similarity": 0.438255, "Placenta_Crossing_Structural_Similarity": 0.908403, "Placenta_Crossing_Weighted_Contribution": 1.00448, "Placenta_Crossing_Top_Rank": -0.0545879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:135564558": { "type": "Drug", "properties": { "id": "CID:135564558", "label": "pf-04447943", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135564558", "FDA_Category_D_L1000_Similarity": 0.132339, "FDA_Category_D_Structural_Similarity": -0.0472323, "FDA_Category_D_Weighted_Contribution": -0.0856222, "FDA_Category_D_Top_Rank": -0.0862224, "FDA_Category_X_L1000_Similarity": -0.186336, "FDA_Category_X_Structural_Similarity": -0.685808, "FDA_Category_X_Weighted_Contribution": -0.776664, "FDA_Category_X_Top_Rank": -0.0887134, "FDA_Category_D_and_X_L1000_Similarity": 0.0574912, "FDA_Category_D_and_X_Structural_Similarity": -0.407548, "FDA_Category_D_and_X_Weighted_Contribution": -0.449979, "FDA_Category_D_and_X_Top_Rank": -0.0916821, "Placenta_Crossing_L1000_Similarity": 0.587212, "Placenta_Crossing_Structural_Similarity": 0.154414, "Placenta_Crossing_Weighted_Contribution": 0.295296, "Placenta_Crossing_Top_Rank": -0.0787922, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5", "InChI_key": "IWXUVYOOUMLUTQ-CZUORRHYSA-N" } }, "CID:135821878": { "type": "Drug", "properties": { "id": "CID:135821878", "label": "bjm-csc-15", "lsm": "LSM-1460", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135821878", "FDA_Category_D_L1000_Similarity": -1.7089, "FDA_Category_D_Structural_Similarity": -0.54219, "FDA_Category_D_Weighted_Contribution": -1.2036, "FDA_Category_D_Top_Rank": -0.0945583, "FDA_Category_X_L1000_Similarity": -0.0318724, "FDA_Category_X_Structural_Similarity": -0.598323, "FDA_Category_X_Weighted_Contribution": -0.652761, "FDA_Category_X_Top_Rank": -0.0877967, "FDA_Category_D_and_X_L1000_Similarity": -1.48278, "FDA_Category_D_and_X_Structural_Similarity": -0.753196, "FDA_Category_D_and_X_Weighted_Contribution": -1.21418, "FDA_Category_D_and_X_Top_Rank": -0.0957137, "Placenta_Crossing_L1000_Similarity": -1.14562, "Placenta_Crossing_Structural_Similarity": -0.654607, "Placenta_Crossing_Weighted_Contribution": -1.04173, "Placenta_Crossing_Top_Rank": -0.090954, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=CN3", "InChI_key": "CISVJPXUQJEUAP-KEBDBYFISA-N" } }, "CID:135882970": { "type": "Drug", "properties": { "id": "CID:135882970", "label": "BG-1019", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135882970", "FDA_Category_D_L1000_Similarity": 0.165635, "FDA_Category_D_Structural_Similarity": 1.58649, "FDA_Category_D_Weighted_Contribution": 1.64588, "FDA_Category_D_Top_Rank": -0.00758477, "FDA_Category_X_L1000_Similarity": 1.36127, "FDA_Category_X_Structural_Similarity": 0.407853, "FDA_Category_X_Weighted_Contribution": 1.03244, "FDA_Category_X_Top_Rank": -0.055391, "FDA_Category_D_and_X_L1000_Similarity": 0.556172, "FDA_Category_D_and_X_Structural_Similarity": 1.4793, "FDA_Category_D_and_X_Weighted_Contribution": 1.69877, "FDA_Category_D_and_X_Top_Rank": -0.017216, "Placenta_Crossing_L1000_Similarity": 0.37294, "Placenta_Crossing_Structural_Similarity": -0.133335, "Placenta_Crossing_Weighted_Contribution": -0.0839472, "Placenta_Crossing_Top_Rank": -0.0847958, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:135976680": { "type": "Drug", "properties": { "id": "CID:135976680", "label": "bjm-csc-19", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135976680", "FDA_Category_D_L1000_Similarity": -0.550797, "FDA_Category_D_Structural_Similarity": 0.876589, "FDA_Category_D_Weighted_Contribution": 0.427584, "FDA_Category_D_Top_Rank": -0.0572294, "FDA_Category_X_L1000_Similarity": -1.94687, "FDA_Category_X_Structural_Similarity": -0.628738, "FDA_Category_X_Weighted_Contribution": -1.28081, "FDA_Category_X_Top_Rank": -0.0913597, "FDA_Category_D_and_X_L1000_Similarity": -1.06603, "FDA_Category_D_and_X_Structural_Similarity": 0.356496, "FDA_Category_D_and_X_Weighted_Contribution": -0.340902, "FDA_Category_D_and_X_Top_Rank": -0.0781759, "Placenta_Crossing_L1000_Similarity": -0.547304, "Placenta_Crossing_Structural_Similarity": 0.161567, "Placenta_Crossing_Weighted_Contribution": -0.237184, "Placenta_Crossing_Top_Rank": -0.0786359, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CNC(=C1)C=NNC(=O)CSC2=C(C=CC(=C2)Cl)Cl", "InChI_key": "LLSPTDJPYBSWPW-REZTVBANSA-N" } }, "CID:137": { "type": "Drug", "properties": { "id": "CID:137", "label": "aminolevulinic acid", "lsm": "LSM-5677", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/137", "FDA_Category_D_L1000_Similarity": 0.627885, "FDA_Category_D_Structural_Similarity": -0.780639, "FDA_Category_D_Weighted_Contribution": -0.469009, "FDA_Category_D_Top_Rank": -0.0818636, "FDA_Category_X_L1000_Similarity": 1.19531, "FDA_Category_X_Structural_Similarity": -0.726917, "FDA_Category_X_Weighted_Contribution": -0.242103, "FDA_Category_X_Top_Rank": -0.0644681, "FDA_Category_D_and_X_L1000_Similarity": 0.90424, "FDA_Category_D_and_X_Structural_Similarity": -1.01184, "FDA_Category_D_and_X_Weighted_Contribution": -0.550734, "FDA_Category_D_and_X_Top_Rank": -0.0737928, "Placenta_Crossing_L1000_Similarity": 0.407788, "Placenta_Crossing_Structural_Similarity": -1.02299, "Placenta_Crossing_Weighted_Contribution": -0.780316, "Placenta_Crossing_Top_Rank": -0.0843848, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(=O)O)C(=O)CN", "InChI_key": "ZGXJTSGNIOSYLO-UHFFFAOYSA-N" } }, "CID:13817": { "type": "Drug", "properties": { "id": "CID:13817", "label": "benzopurpurin-4b", "lsm": "LSM-2299", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13817", "FDA_Category_D_L1000_Similarity": 1.80531, "FDA_Category_D_Structural_Similarity": 0.803401, "FDA_Category_D_Weighted_Contribution": 1.83497, "FDA_Category_D_Top_Rank": 0.0763173, "FDA_Category_X_L1000_Similarity": -0.0764859, "FDA_Category_X_Structural_Similarity": 0.504958, "FDA_Category_X_Weighted_Contribution": 0.346505, "FDA_Category_X_Top_Rank": -0.0618814, "FDA_Category_D_and_X_L1000_Similarity": 1.53299, "FDA_Category_D_and_X_Structural_Similarity": 0.910143, "FDA_Category_D_and_X_Weighted_Contribution": 1.6762, "FDA_Category_D_and_X_Top_Rank": -0.01848, "Placenta_Crossing_L1000_Similarity": 2.05717, "Placenta_Crossing_Structural_Similarity": -0.115716, "Placenta_Crossing_Weighted_Contribution": 0.787175, "Placenta_Crossing_Top_Rank": 0.0595391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N", "InChI_key": "PYPYDHUIORYEHW-UHFFFAOYSA-N" } }, "CID:139032029": { "type": "Drug", "properties": { "id": "CID:139032029", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID139032029", "label": "Amphotericin-b", "FDA_Category_D_L1000_Similarity": 0.985974, "FDA_Category_D_Structural_Similarity": 0.538264, "FDA_Category_D_Weighted_Contribution": 1.02663, "FDA_Category_D_Top_Rank": -0.0660602, "FDA_Category_X_L1000_Similarity": -0.114155, "FDA_Category_X_Structural_Similarity": -0.103137, "FDA_Category_X_Weighted_Contribution": -0.270746, "FDA_Category_X_Top_Rank": -0.0824067, "FDA_Category_D_and_X_L1000_Similarity": 0.815263, "FDA_Category_D_and_X_Structural_Similarity": 0.371576, "FDA_Category_D_and_X_Weighted_Contribution": 0.67625, "FDA_Category_D_and_X_Top_Rank": -0.0771789, "Placenta_Crossing_L1000_Similarity": 0.333261, "Placenta_Crossing_Structural_Similarity": 1.75038, "Placenta_Crossing_Weighted_Contribution": 1.8485, "Placenta_Crossing_Top_Rank": 0.0048125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13927310": { "type": "Drug", "properties": { "id": "CID:13927310", "label": "kuc103423n", "lsm": "LSM-1819", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13927310", "FDA_Category_D_L1000_Similarity": 0.227045, "FDA_Category_D_Structural_Similarity": 0.238594, "FDA_Category_D_Weighted_Contribution": 0.242384, "FDA_Category_D_Top_Rank": -0.0788817, "FDA_Category_X_L1000_Similarity": 0.45795, "FDA_Category_X_Structural_Similarity": -0.292424, "FDA_Category_X_Weighted_Contribution": -0.181642, "FDA_Category_X_Top_Rank": -0.0830364, "FDA_Category_D_and_X_L1000_Similarity": 0.334789, "FDA_Category_D_and_X_Structural_Similarity": 0.0315845, "FDA_Category_D_and_X_Weighted_Contribution": 0.0677862, "FDA_Category_D_and_X_Top_Rank": -0.0856594, "Placenta_Crossing_L1000_Similarity": 0.0178905, "Placenta_Crossing_Structural_Similarity": 3.18815, "Placenta_Crossing_Weighted_Contribution": 3.00946, "Placenta_Crossing_Top_Rank": 0.242226, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4", "InChI_key": "MBSCPVGGCCNQCY-UHFFFAOYSA-N" } }, "CID:148192": { "type": "Drug", "properties": { "id": "CID:148192", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID148192", "label": "atazanavir", "FDA_Category_D_L1000_Similarity": -0.612652, "FDA_Category_D_Structural_Similarity": -0.144383, "FDA_Category_D_Weighted_Contribution": -0.540554, "FDA_Category_D_Top_Rank": -0.0884452, "FDA_Category_X_L1000_Similarity": -1.81116, "FDA_Category_X_Structural_Similarity": 0.156547, "FDA_Category_X_Weighted_Contribution": -0.755223, "FDA_Category_X_Top_Rank": -0.0749596, "FDA_Category_D_and_X_L1000_Similarity": -1.07813, "FDA_Category_D_and_X_Structural_Similarity": -0.0301263, "FDA_Category_D_and_X_Weighted_Contribution": -0.646841, "FDA_Category_D_and_X_Top_Rank": -0.0869324, "Placenta_Crossing_L1000_Similarity": -0.408211, "Placenta_Crossing_Structural_Similarity": -0.499409, "Placenta_Crossing_Weighted_Contribution": -0.704134, "Placenta_Crossing_Top_Rank": -0.0896845, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC", "InChI_key": "AXRYRYVKAWYZBR-GASGPIRDSA-N" } }, "CID:148201": { "type": "Drug", "properties": { "id": "CID:148201", "label": "tariquidar", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/148201", "FDA_Category_D_L1000_Similarity": -0.0430944, "FDA_Category_D_Structural_Similarity": -0.802474, "FDA_Category_D_Weighted_Contribution": -0.779278, "FDA_Category_D_Top_Rank": -0.0925544, "FDA_Category_X_L1000_Similarity": 1.77324, "FDA_Category_X_Structural_Similarity": -0.476566, "FDA_Category_X_Weighted_Contribution": 0.287815, "FDA_Category_X_Top_Rank": -0.0226947, "FDA_Category_D_and_X_L1000_Similarity": 0.501355, "FDA_Category_D_and_X_Structural_Similarity": -0.894087, "FDA_Category_D_and_X_Weighted_Contribution": -0.631245, "FDA_Category_D_and_X_Top_Rank": -0.0856013, "Placenta_Crossing_L1000_Similarity": 0.428769, "Placenta_Crossing_Structural_Similarity": -0.897351, "Placenta_Crossing_Weighted_Contribution": -0.685101, "Placenta_Crossing_Top_Rank": -0.0840766, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC", "InChI_key": "LGGHDPFKSSRQNS-UHFFFAOYSA-N" } }, "CID:14900": { "type": "Drug", "properties": { "id": "CID:14900", "label": "1-monopalmitin", "lsm": "LSM-4482", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/14900", "FDA_Category_D_L1000_Similarity": 0.288151, "FDA_Category_D_Structural_Similarity": -0.233926, "FDA_Category_D_Weighted_Contribution": -0.172494, "FDA_Category_D_Top_Rank": -0.089033, "FDA_Category_X_L1000_Similarity": -0.261221, "FDA_Category_X_Structural_Similarity": -0.451434, "FDA_Category_X_Weighted_Contribution": -0.627684, "FDA_Category_X_Top_Rank": -0.0890846, "FDA_Category_D_and_X_L1000_Similarity": 0.16906, "FDA_Category_D_and_X_Structural_Similarity": -0.429262, "FDA_Category_D_and_X_Weighted_Contribution": -0.41731, "FDA_Category_D_and_X_Top_Rank": -0.0906148, "Placenta_Crossing_L1000_Similarity": 0.668473, "Placenta_Crossing_Structural_Similarity": -0.175106, "Placenta_Crossing_Weighted_Contribution": 0.0161015, "Placenta_Crossing_Top_Rank": -0.0796092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:15096": { "type": "Drug", "properties": { "id": "CID:15096", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15096", "label": "Tributyltin", "FDA_Category_D_L1000_Similarity": -0.936672, "FDA_Category_D_Structural_Similarity": -0.92834, "FDA_Category_D_Weighted_Contribution": -1.17, "FDA_Category_D_Top_Rank": -0.0961913, "FDA_Category_X_L1000_Similarity": 0.178968, "FDA_Category_X_Structural_Similarity": 2.56936, "FDA_Category_X_Weighted_Contribution": 2.72991, "FDA_Category_X_Top_Rank": 0.124137, "FDA_Category_D_and_X_L1000_Similarity": -0.753074, "FDA_Category_D_and_X_Structural_Similarity": 0.649583, "FDA_Category_D_and_X_Weighted_Contribution": 0.0754964, "FDA_Category_D_and_X_Top_Rank": -0.0690878, "Placenta_Crossing_L1000_Similarity": -0.285457, "Placenta_Crossing_Structural_Similarity": -1.04099, "Placenta_Crossing_Weighted_Contribution": -1.01306, "Placenta_Crossing_Top_Rank": -0.0899879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1510378": { "type": "Drug", "properties": { "id": "CID:1510378", "label": "ku-c103671", "lsm": "LSM-3082", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1510378", "FDA_Category_D_L1000_Similarity": 1.05812, "FDA_Category_D_Structural_Similarity": -0.33768, "FDA_Category_D_Weighted_Contribution": 0.153792, "FDA_Category_D_Top_Rank": -0.0616105, "FDA_Category_X_L1000_Similarity": 0.378154, "FDA_Category_X_Structural_Similarity": -0.72661, "FDA_Category_X_Weighted_Contribution": -0.592232, "FDA_Category_X_Top_Rank": -0.0840444, "FDA_Category_D_and_X_L1000_Similarity": 1.02695, "FDA_Category_D_and_X_Structural_Similarity": -0.660097, "FDA_Category_D_and_X_Weighted_Contribution": -0.207657, "FDA_Category_D_and_X_Top_Rank": -0.0673573, "Placenta_Crossing_L1000_Similarity": 0.257906, "Placenta_Crossing_Structural_Similarity": -0.645636, "Placenta_Crossing_Weighted_Contribution": -0.562929, "Placenta_Crossing_Top_Rank": -0.0861278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=C(C=C3)F", "InChI_key": "DSSXORGEYXPNQS-UHFFFAOYSA-N" } }, "CID:153994": { "type": "Drug", "properties": { "id": "CID:153994", "label": "clevidipine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/153994", "FDA_Category_D_L1000_Similarity": 0.142152, "FDA_Category_D_Structural_Similarity": 4.58046, "FDA_Category_D_Weighted_Contribution": 3.88509, "FDA_Category_D_Top_Rank": 0.83824, "FDA_Category_X_L1000_Similarity": 0.159171, "FDA_Category_X_Structural_Similarity": -0.404607, "FDA_Category_X_Weighted_Contribution": -0.416117, "FDA_Category_X_Top_Rank": -0.086337, "FDA_Category_D_and_X_L1000_Similarity": 0.170877, "FDA_Category_D_and_X_Structural_Similarity": 3.41724, "FDA_Category_D_and_X_Weighted_Contribution": 3.20136, "FDA_Category_D_and_X_Top_Rank": 0.34206, "Placenta_Crossing_L1000_Similarity": 0.111712, "Placenta_Crossing_Structural_Similarity": 1.29387, "Placenta_Crossing_Weighted_Contribution": 1.24193, "Placenta_Crossing_Top_Rank": -0.0334007, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C", "InChI_key": "KPBZROQVTHLCDU-UHFFFAOYSA-N" } }, "CID:1547484": { "type": "Drug", "properties": { "id": "CID:1547484", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1547484", "label": "cinnarizine", "FDA_Category_D_L1000_Similarity": 0.584507, "FDA_Category_D_Structural_Similarity": -0.457164, "FDA_Category_D_Weighted_Contribution": -0.216815, "FDA_Category_D_Top_Rank": -0.0830041, "FDA_Category_X_L1000_Similarity": 0.579364, "FDA_Category_X_Structural_Similarity": -0.64751, "FDA_Category_X_Weighted_Contribution": -0.444017, "FDA_Category_X_Top_Rank": -0.0813124, "FDA_Category_D_and_X_L1000_Similarity": 0.679791, "FDA_Category_D_and_X_Structural_Similarity": -0.712251, "FDA_Category_D_and_X_Weighted_Contribution": -0.414642, "FDA_Category_D_and_X_Top_Rank": -0.08169, "Placenta_Crossing_L1000_Similarity": 1.31794, "Placenta_Crossing_Structural_Similarity": -0.579865, "Placenta_Crossing_Weighted_Contribution": -0.0538244, "Placenta_Crossing_Top_Rank": -0.0543035, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4", "InChI_key": "DERZBLKQOCDDDZ-JLHYYAGUSA-N" } }, "CID:15478": { "type": "Drug", "properties": { "id": "CID:15478", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15478", "label": "digoxigenin", "FDA_Category_D_L1000_Similarity": -0.395951, "FDA_Category_D_Structural_Similarity": -0.697177, "FDA_Category_D_Weighted_Contribution": -0.847783, "FDA_Category_D_Top_Rank": -0.0946956, "FDA_Category_X_L1000_Similarity": -1.46565, "FDA_Category_X_Structural_Similarity": 2.22943, "FDA_Category_X_Weighted_Contribution": 1.49627, "FDA_Category_X_Top_Rank": 0.0698154, "FDA_Category_D_and_X_L1000_Similarity": -0.786409, "FDA_Category_D_and_X_Structural_Similarity": 0.649632, "FDA_Category_D_and_X_Weighted_Contribution": 0.0579473, "FDA_Category_D_and_X_Top_Rank": -0.0690677, "Placenta_Crossing_L1000_Similarity": -0.744348, "Placenta_Crossing_Structural_Similarity": 1.95976, "Placenta_Crossing_Weighted_Contribution": 1.49163, "Placenta_Crossing_Top_Rank": 0.0275989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O", "InChI_key": "SHIBSTMRCDJXLN-KCZCNTNESA-N" } }, "CID:1548887": { "type": "Drug", "properties": { "id": "CID:1548887", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1548887", "label": "sulindac", "FDA_Category_D_L1000_Similarity": 1.46789, "FDA_Category_D_Structural_Similarity": -0.25103, "FDA_Category_D_Weighted_Contribution": 0.484005, "FDA_Category_D_Top_Rank": -0.0157288, "FDA_Category_X_L1000_Similarity": 2.04506, "FDA_Category_X_Structural_Similarity": -0.652864, "FDA_Category_X_Weighted_Contribution": 0.245933, "FDA_Category_X_Top_Rank": 0.0188316, "FDA_Category_D_and_X_L1000_Similarity": 1.8864, "FDA_Category_D_and_X_Structural_Similarity": -0.551529, "FDA_Category_D_and_X_Weighted_Contribution": 0.346176, "FDA_Category_D_and_X_Top_Rank": 0.0542674, "Placenta_Crossing_L1000_Similarity": 1.0838, "Placenta_Crossing_Structural_Similarity": -0.91716, "Placenta_Crossing_Weighted_Contribution": -0.447435, "Placenta_Crossing_Top_Rank": -0.067099, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O", "InChI_key": "MLKXDPUZXIRXEP-MFOYZWKCSA-N" } }, "CID:1548942": { "type": "Drug", "properties": { "id": "CID:1548942", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1548942", "label": "zucapsaicin", "FDA_Category_D_L1000_Similarity": -0.63067, "FDA_Category_D_Structural_Similarity": -0.845393, "FDA_Category_D_Weighted_Contribution": -1.02574, "FDA_Category_D_Top_Rank": -0.0955539, "FDA_Category_X_L1000_Similarity": -0.308753, "FDA_Category_X_Structural_Similarity": -0.658294, "FDA_Category_X_Weighted_Contribution": -0.801061, "FDA_Category_X_Top_Rank": -0.0893209, "FDA_Category_D_and_X_L1000_Similarity": -0.637416, "FDA_Category_D_and_X_Structural_Similarity": -1.02621, "FDA_Category_D_and_X_Weighted_Contribution": -1.11361, "FDA_Category_D_and_X_Top_Rank": -0.0954855, "Placenta_Crossing_L1000_Similarity": 0.755722, "Placenta_Crossing_Structural_Similarity": -0.956518, "Placenta_Crossing_Weighted_Contribution": -0.606974, "Placenta_Crossing_Top_Rank": -0.077508, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC", "InChI_key": "YKPUWZUDDOIDPM-VURMDHGXSA-N" } }, "CID:1549120": { "type": "Drug", "properties": { "id": "CID:1549120", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1549120", "label": "epalrestat", "FDA_Category_D_L1000_Similarity": -0.111459, "FDA_Category_D_Structural_Similarity": -0.664342, "FDA_Category_D_Weighted_Contribution": -0.710232, "FDA_Category_D_Top_Rank": -0.0931083, "FDA_Category_X_L1000_Similarity": 0.289227, "FDA_Category_X_Structural_Similarity": -0.359179, "FDA_Category_X_Weighted_Contribution": -0.31941, "FDA_Category_X_Top_Rank": -0.0850553, "FDA_Category_D_and_X_L1000_Similarity": -0.00824564, "FDA_Category_D_and_X_Structural_Similarity": -0.721108, "FDA_Category_D_and_X_Weighted_Contribution": -0.71178, "FDA_Category_D_and_X_Top_Rank": -0.0922684, "Placenta_Crossing_L1000_Similarity": -0.0634243, "Placenta_Crossing_Structural_Similarity": -0.753277, "Placenta_Crossing_Weighted_Contribution": -0.75934, "Placenta_Crossing_Top_Rank": -0.088744, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O", "InChI_key": "CHNUOJQWGUIOLD-NFZZJPOKSA-N" } }, "CID:15592": { "type": "Drug", "properties": { "id": "CID:15592", "label": "1-methylisoquinoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15592", "FDA_Category_D_L1000_Similarity": 0.705968, "FDA_Category_X_L1000_Similarity": 1.33149, "FDA_Category_D_and_X_L1000_Similarity": 1.01291, "Placenta_Crossing_L1000_Similarity": -0.268662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:158781": { "type": "Drug", "properties": { "id": "CID:158781", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID158781", "label": "olmesartan", "FDA_Category_D_L1000_Similarity": 1.10872, "FDA_Category_D_Structural_Similarity": 5.51841, "FDA_Category_D_Weighted_Contribution": 4.2718, "FDA_Category_D_Top_Rank": 1.5858, "FDA_Category_X_L1000_Similarity": 1.29883, "FDA_Category_X_Structural_Similarity": -0.29909, "FDA_Category_X_Weighted_Contribution": 0.225628, "FDA_Category_X_Top_Rank": -0.0592804, "FDA_Category_D_and_X_L1000_Similarity": 1.35017, "FDA_Category_D_and_X_Structural_Similarity": 4.21865, "FDA_Category_D_and_X_Weighted_Contribution": 3.89451, "FDA_Category_D_and_X_Top_Rank": 0.838241, "Placenta_Crossing_L1000_Similarity": 1.51095, "Placenta_Crossing_Structural_Similarity": 1.89119, "Placenta_Crossing_Weighted_Contribution": 2.56627, "Placenta_Crossing_Top_Rank": 0.0209421, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O", "InChI_key": "VTRAEEWXHOVJFV-UHFFFAOYSA-N" } }, "CID:159324": { "type": "Drug", "properties": { "id": "CID:159324", "label": "tipifarnib", "lsm": "LSM-6258", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/159324", "FDA_Category_D_L1000_Similarity": -1.08727, "FDA_Category_D_Structural_Similarity": -0.424097, "FDA_Category_D_Weighted_Contribution": -0.932609, "FDA_Category_D_Top_Rank": -0.0932275, "FDA_Category_X_L1000_Similarity": 0.173095, "FDA_Category_X_Structural_Similarity": -0.686327, "FDA_Category_X_Weighted_Contribution": -0.641429, "FDA_Category_X_Top_Rank": -0.0861906, "FDA_Category_D_and_X_L1000_Similarity": -0.884682, "FDA_Category_D_and_X_Structural_Similarity": -0.70695, "FDA_Category_D_and_X_Weighted_Contribution": -1.0146, "FDA_Category_D_and_X_Top_Rank": -0.0954651, "Placenta_Crossing_L1000_Similarity": -1.85929, "Placenta_Crossing_Structural_Similarity": -1.02024, "Placenta_Crossing_Weighted_Contribution": -1.38962, "Placenta_Crossing_Top_Rank": -0.0923587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N", "InChI_key": "PLHJCIYEEKOWNM-HHHXNRCGSA-N" } }, "CID:159594": { "type": "Drug", "properties": { "id": "CID:159594", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID159594", "label": "atrasentan", "FDA_Category_D_L1000_Similarity": 0.694966, "FDA_Category_D_Structural_Similarity": 1.19892, "FDA_Category_D_Weighted_Contribution": 1.56202, "FDA_Category_D_Top_Rank": -0.0399593, "FDA_Category_X_L1000_Similarity": 0.973606, "FDA_Category_X_Structural_Similarity": -0.557627, "FDA_Category_X_Weighted_Contribution": -0.188311, "FDA_Category_X_Top_Rank": -0.0723143, "FDA_Category_D_and_X_L1000_Similarity": 0.894734, "FDA_Category_D_and_X_Structural_Similarity": 0.650703, "FDA_Category_D_and_X_Weighted_Contribution": 1.01881, "FDA_Category_D_and_X_Top_Rank": -0.0690275, "Placenta_Crossing_L1000_Similarity": 1.50183, "Placenta_Crossing_Structural_Similarity": -0.689365, "Placenta_Crossing_Weighted_Contribution": -0.0687093, "Placenta_Crossing_Top_Rank": -0.0398512, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4", "InChI_key": "MOTJMGVDPWRKOC-QPVYNBJUSA-N" } }, "CID:16007391": { "type": "Drug", "properties": { "id": "CID:16007391", "label": "barasertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16007391", "FDA_Category_D_L1000_Similarity": 0.940991, "FDA_Category_X_L1000_Similarity": 0.473508, "FDA_Category_D_and_X_L1000_Similarity": 0.954947, "Placenta_Crossing_L1000_Similarity": 0.0618317, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO", "InChI_key": "QYZOGCMHVIGURT-UHFFFAOYSA-N" } }, "CID:1604254": { "type": "Drug", "properties": { "id": "CID:1604254", "label": "ran-03", "lsm": "LSM-4535", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1604254", "FDA_Category_D_L1000_Similarity": 0.469751, "FDA_Category_D_Structural_Similarity": 5.32863, "FDA_Category_D_Weighted_Contribution": 4.16457, "FDA_Category_D_Top_Rank": 1.44886, "FDA_Category_X_L1000_Similarity": -0.173492, "FDA_Category_X_Structural_Similarity": -0.659633, "FDA_Category_X_Weighted_Contribution": -0.752778, "FDA_Category_X_Top_Rank": -0.0886403, "FDA_Category_D_and_X_L1000_Similarity": 0.352244, "FDA_Category_D_and_X_Structural_Similarity": 3.87347, "FDA_Category_D_and_X_Weighted_Contribution": 3.52526, "FDA_Category_D_and_X_Top_Rank": 0.623771, "Placenta_Crossing_L1000_Similarity": 0.53342, "Placenta_Crossing_Structural_Similarity": -1.00453, "Placenta_Crossing_Weighted_Contribution": -0.723504, "Placenta_Crossing_Top_Rank": -0.0823579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)Cl", "InChI_key": "JXCBIDUKEIBVKZ-UHFFFAOYSA-N" } }, "CID:16102146": { "type": "Drug", "properties": { "id": "CID:16102146", "label": "o-2050", "lsm": "LSM-2030", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16102146", "FDA_Category_D_L1000_Similarity": -0.328276, "FDA_Category_D_Structural_Similarity": -0.589854, "FDA_Category_D_Weighted_Contribution": -0.747502, "FDA_Category_D_Top_Rank": -0.0943847, "FDA_Category_X_L1000_Similarity": 0.576886, "FDA_Category_X_Structural_Similarity": -0.593097, "FDA_Category_X_Weighted_Contribution": -0.398405, "FDA_Category_X_Top_Rank": -0.0813328, "FDA_Category_D_and_X_L1000_Similarity": -0.107787, "FDA_Category_D_and_X_Structural_Similarity": -0.788208, "FDA_Category_D_and_X_Weighted_Contribution": -0.795651, "FDA_Category_D_and_X_Top_Rank": -0.0930416, "Placenta_Crossing_L1000_Similarity": 0.168261, "Placenta_Crossing_Structural_Similarity": -0.968405, "Placenta_Crossing_Weighted_Contribution": -0.825203, "Placenta_Crossing_Top_Rank": -0.0869121, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CCC2C(C1)C3=C(C=C(C=C3OC2(C)C)CC#CCCCNS(=O)(=O)C)O", "InChI_key": "DJTGGIYZQHHLGJ-RTBURBONSA-N" } }, "CID:16117018": { "type": "Drug", "properties": { "id": "CID:16117018", "label": "ku-60019", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16117018", "FDA_Category_D_L1000_Similarity": -0.206709, "FDA_Category_D_Structural_Similarity": -0.498872, "FDA_Category_D_Weighted_Contribution": -0.629837, "FDA_Category_D_Top_Rank": -0.0937287, "FDA_Category_X_L1000_Similarity": 1.74519, "FDA_Category_X_Structural_Similarity": -0.304214, "FDA_Category_X_Weighted_Contribution": 0.455533, "FDA_Category_X_Top_Rank": -0.0258016, "FDA_Category_D_and_X_L1000_Similarity": 0.351794, "FDA_Category_D_and_X_Structural_Similarity": -0.560114, "FDA_Category_D_and_X_Weighted_Contribution": -0.440096, "FDA_Category_D_and_X_Top_Rank": -0.0882178, "Placenta_Crossing_L1000_Similarity": 0.413098, "Placenta_Crossing_Structural_Similarity": -0.41155, "Placenta_Crossing_Weighted_Contribution": -0.310934, "Placenta_Crossing_Top_Rank": -0.0842981, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6", "InChI_key": "SCELLOWTHJGVIC-UHFFFAOYSA-N" } }, "CID:16126782": { "type": "Drug", "properties": { "id": "CID:16126782", "label": "hnha", "lsm": "LSM-5837", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16126782", "FDA_Category_D_L1000_Similarity": 0.799301, "FDA_Category_D_Structural_Similarity": 1.33643, "FDA_Category_D_Weighted_Contribution": 1.77548, "FDA_Category_D_Top_Rank": -0.0318864, "FDA_Category_X_L1000_Similarity": -2.00373, "FDA_Category_X_Structural_Similarity": 0.0174147, "FDA_Category_X_Weighted_Contribution": -0.920606, "FDA_Category_X_Top_Rank": -0.0793577, "FDA_Category_D_and_X_L1000_Similarity": 0.0805177, "FDA_Category_D_and_X_Structural_Similarity": 1.07014, "FDA_Category_D_and_X_Weighted_Contribution": 0.979322, "FDA_Category_D_and_X_Top_Rank": -0.0487211, "Placenta_Crossing_L1000_Similarity": 0.291378, "Placenta_Crossing_Structural_Similarity": 0.0881509, "Placenta_Crossing_Weighted_Contribution": 0.084143, "Placenta_Crossing_Top_Rank": -0.0803248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C=C(C=CC2=C1)SCCCCCCC(=O)NO", "InChI_key": "KPNNXHVGOKRBEF-UHFFFAOYSA-N" } }, "CID:16129706": { "type": "Drug", "properties": { "id": "CID:16129706", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16129706", "label": "somatostatin", "FDA_Category_D_L1000_Similarity": 0.815901, "FDA_Category_D_Structural_Similarity": 2.07527, "FDA_Category_D_Weighted_Contribution": 2.52573, "FDA_Category_D_Top_Rank": 0.0628327, "FDA_Category_X_L1000_Similarity": -0.278413, "FDA_Category_X_Structural_Similarity": 0.025514, "FDA_Category_X_Weighted_Contribution": -0.228388, "FDA_Category_X_Top_Rank": -0.0791315, "FDA_Category_D_and_X_L1000_Similarity": 0.618764, "FDA_Category_D_and_X_Structural_Similarity": 1.66094, "FDA_Category_D_and_X_Weighted_Contribution": 1.92224, "FDA_Category_D_and_X_Top_Rank": 0.000227322, "Placenta_Crossing_L1000_Similarity": 1.14909, "Placenta_Crossing_Structural_Similarity": 3.03269, "Placenta_Crossing_Weighted_Contribution": 3.29849, "Placenta_Crossing_Top_Rank": 0.205875, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O", "InChI_key": "NHXLMOGPVYXJNR-ATOGVRKGSA-N" } }, "CID:16133851": { "type": "Drug", "properties": { "id": "CID:16133851", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16133851", "label": "triptorelin", "FDA_Category_D_L1000_Similarity": 0.170535, "FDA_Category_D_Structural_Similarity": 0.366539, "FDA_Category_D_Weighted_Contribution": 0.337883, "FDA_Category_D_Top_Rank": -0.0752696, "FDA_Category_X_L1000_Similarity": 1.69831, "FDA_Category_X_Structural_Similarity": 0.982566, "FDA_Category_X_Weighted_Contribution": 1.87482, "FDA_Category_X_Top_Rank": -0.0303903, "FDA_Category_D_and_X_L1000_Similarity": 0.662746, "FDA_Category_D_and_X_Structural_Similarity": 0.821115, "FDA_Category_D_and_X_Weighted_Contribution": 1.06197, "FDA_Category_D_and_X_Top_Rank": -0.062436, "Placenta_Crossing_L1000_Similarity": 0.551242, "Placenta_Crossing_Structural_Similarity": 1.58116, "Placenta_Crossing_Weighted_Contribution": 1.78735, "Placenta_Crossing_Top_Rank": -0.0143761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CNC=N7)NC(=O)C8CCC(=O)N8", "InChI_key": "VXKHXGOKWPXYNA-PGBVPBMZSA-N" } }, "CID:1622530": { "type": "Drug", "properties": { "id": "CID:1622530", "label": "coumaric-acid", "lsm": "LSM-4173", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1622530", "FDA_Category_D_L1000_Similarity": 0.378524, "FDA_Category_D_Structural_Similarity": -0.707822, "FDA_Category_D_Weighted_Contribution": -0.527256, "FDA_Category_D_Top_Rank": -0.0875591, "FDA_Category_X_L1000_Similarity": -0.344589, "FDA_Category_X_Structural_Similarity": -0.59424, "FDA_Category_X_Weighted_Contribution": -0.767633, "FDA_Category_X_Top_Rank": -0.0894578, "FDA_Category_D_and_X_L1000_Similarity": 0.221656, "FDA_Category_D_and_X_Structural_Similarity": -0.882457, "FDA_Category_D_and_X_Weighted_Contribution": -0.734342, "FDA_Category_D_and_X_Top_Rank": -0.0899548, "Placenta_Crossing_L1000_Similarity": 0.82295, "Placenta_Crossing_Structural_Similarity": -0.820382, "Placenta_Crossing_Weighted_Contribution": -0.475823, "Placenta_Crossing_Top_Rank": -0.0756795, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1C=CC(=O)O", "InChI_key": "FEGVSPGUHMGGBO-SREVYHEPSA-N" } }, "CID:16231": { "type": "Drug", "properties": { "id": "CID:16231", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16231", "label": "amiloride", "ref": "LSM-4194", "FDA_Category_D_L1000_Similarity": 1.11509, "FDA_Category_D_Structural_Similarity": -0.802722, "FDA_Category_D_Weighted_Contribution": -0.247522, "FDA_Category_D_Top_Rank": -0.056934, "FDA_Category_X_L1000_Similarity": 1.20836, "FDA_Category_X_Structural_Similarity": -0.693064, "FDA_Category_X_Weighted_Contribution": -0.204972, "FDA_Category_X_Top_Rank": -0.0636626, "FDA_Category_D_and_X_L1000_Similarity": 1.32819, "FDA_Category_D_and_X_Structural_Similarity": -1.01111, "FDA_Category_D_and_X_Weighted_Contribution": -0.361974, "FDA_Category_D_and_X_Top_Rank": -0.0443331, "Placenta_Crossing_L1000_Similarity": 0.959492, "Placenta_Crossing_Structural_Similarity": -0.532141, "Placenta_Crossing_Weighted_Contribution": -0.175065, "Placenta_Crossing_Top_Rank": -0.071783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N", "InChI_key": "XSDQTOBWRPYKKA-UHFFFAOYSA-N" } }, "CID:162834": { "type": "Drug", "properties": { "id": "CID:162834", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162834", "label": "fenobam", "FDA_Category_D_L1000_Similarity": 0.715327, "FDA_Category_D_Structural_Similarity": 0.24781, "FDA_Category_D_Weighted_Contribution": 0.544716, "FDA_Category_D_Top_Rank": -0.0785811, "FDA_Category_X_L1000_Similarity": -0.579883, "FDA_Category_X_Structural_Similarity": 1.6272, "FDA_Category_X_Weighted_Contribution": 1.31503, "FDA_Category_X_Top_Rank": 0.000929049, "FDA_Category_D_and_X_L1000_Similarity": 0.440526, "FDA_Category_D_and_X_Structural_Similarity": 1.07472, "FDA_Category_D_and_X_Weighted_Contribution": 1.20015, "FDA_Category_D_and_X_Top_Rank": -0.0482022, "Placenta_Crossing_L1000_Similarity": 1.36157, "Placenta_Crossing_Structural_Similarity": 2.22556, "Placenta_Crossing_Weighted_Contribution": 2.78836, "Placenta_Crossing_Top_Rank": 0.0546336, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(=O)N=C1NC(=O)NC2=CC(=CC=C2)Cl", "InChI_key": "DWPQODZAOSWNHB-UHFFFAOYSA-N" } }, "CID:16351": { "type": "Drug", "properties": { "id": "CID:16351", "label": "clothiapine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16351", "IDG_ID": "717", "FDA_Category_D_L1000_Similarity": -0.043572, "FDA_Category_D_Structural_Similarity": -0.229202, "FDA_Category_D_Weighted_Contribution": -0.338083, "FDA_Category_D_Top_Rank": -0.0900822, "FDA_Category_X_L1000_Similarity": -0.719682, "FDA_Category_X_Structural_Similarity": 0.224377, "FDA_Category_X_Weighted_Contribution": -0.248476, "FDA_Category_X_Top_Rank": -0.072405, "FDA_Category_D_and_X_L1000_Similarity": -0.256108, "FDA_Category_D_and_X_Structural_Similarity": -0.0608482, "FDA_Category_D_and_X_Weighted_Contribution": -0.310279, "FDA_Category_D_and_X_Top_Rank": -0.0875225, "Placenta_Crossing_L1000_Similarity": -0.959432, "Placenta_Crossing_Structural_Similarity": -0.236792, "Placenta_Crossing_Weighted_Contribution": -0.716181, "Placenta_Crossing_Top_Rank": -0.0865278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl", "InChI_key": "KAAZGXDPUNNEFN-UHFFFAOYSA-N" } }, "CID:16362": { "type": "Drug", "properties": { "id": "CID:16362", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16362", "label": "pimozide", "FDA_Category_D_L1000_Similarity": -0.616681, "FDA_Category_D_Structural_Similarity": -0.44765, "FDA_Category_D_Weighted_Contribution": -0.766157, "FDA_Category_D_Top_Rank": -0.0935161, "FDA_Category_X_L1000_Similarity": 3.61384, "FDA_Category_X_Structural_Similarity": -0.545403, "FDA_Category_X_Weighted_Contribution": 1.23051, "FDA_Category_X_Top_Rank": 2.36531, "FDA_Category_D_and_X_L1000_Similarity": 0.565867, "FDA_Category_D_and_X_Structural_Similarity": -0.649603, "FDA_Category_D_and_X_Weighted_Contribution": -0.415621, "FDA_Category_D_and_X_Top_Rank": -0.084285, "Placenta_Crossing_L1000_Similarity": 0.446559, "Placenta_Crossing_Structural_Similarity": -0.0395449, "Placenta_Crossing_Weighted_Contribution": 0.0377084, "Placenta_Crossing_Top_Rank": -0.0830516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F", "InChI_key": "YVUQSNJEYSNKRX-UHFFFAOYSA-N" } }, "CID:164509": { "type": "Drug", "properties": { "id": "CID:164509", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID164509", "label": "talampanel", "FDA_Category_D_L1000_Similarity": 0.129127, "FDA_Category_D_Structural_Similarity": 2.20575, "FDA_Category_D_Weighted_Contribution": 2.26601, "FDA_Category_D_Top_Rank": 0.082106, "FDA_Category_X_L1000_Similarity": 0.570695, "FDA_Category_X_Structural_Similarity": 0.418235, "FDA_Category_X_Weighted_Contribution": 0.601713, "FDA_Category_X_Top_Rank": -0.0650977, "FDA_Category_D_and_X_L1000_Similarity": 0.284611, "FDA_Category_D_and_X_Structural_Similarity": 1.97641, "FDA_Category_D_and_X_Weighted_Contribution": 2.05113, "FDA_Category_D_and_X_Top_Rank": 0.0323775, "Placenta_Crossing_L1000_Similarity": 0.000418344, "Placenta_Crossing_Structural_Similarity": 1.83325, "Placenta_Crossing_Weighted_Contribution": 1.75868, "Placenta_Crossing_Top_Rank": 0.0147172, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3", "InChI_key": "JACAAXNEHGBPOQ-LLVKDONJSA-N" } }, "CID:164723": { "type": "Drug", "properties": { "id": "CID:164723", "label": "byssochlamic-acid", "lsm": "LSM-2963", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/164723", "FDA_Category_D_L1000_Similarity": 0.226854, "FDA_Category_D_Structural_Similarity": -0.725273, "FDA_Category_D_Weighted_Contribution": -0.609164, "FDA_Category_D_Top_Rank": -0.0898912, "FDA_Category_X_L1000_Similarity": -1.17061, "FDA_Category_X_Structural_Similarity": -0.373221, "FDA_Category_X_Weighted_Contribution": -0.902954, "FDA_Category_X_Top_Rank": -0.0877633, "FDA_Category_D_and_X_L1000_Similarity": -0.159941, "FDA_Category_D_and_X_Structural_Similarity": -0.777047, "FDA_Category_D_and_X_Weighted_Contribution": -0.807639, "FDA_Category_D_and_X_Top_Rank": -0.0933897, "Placenta_Crossing_L1000_Similarity": 0.806053, "Placenta_Crossing_Structural_Similarity": -0.904885, "Placenta_Crossing_Weighted_Contribution": -0.548512, "Placenta_Crossing_Top_Rank": -0.0761797, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1CC2=C(CC(CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O", "InChI_key": "NRDWUPPIGBHWAS-ZJUUUORDSA-N" } }, "CID:16667722": { "type": "Drug", "properties": { "id": "CID:16667722", "label": "acadesine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16667722", "FDA_Category_D_L1000_Similarity": 0.96747, "FDA_Category_D_Structural_Similarity": 1.74639, "FDA_Category_D_Weighted_Contribution": 2.29702, "FDA_Category_D_Top_Rank": 0.0124089, "FDA_Category_X_L1000_Similarity": 0.953845, "FDA_Category_X_Structural_Similarity": -0.695444, "FDA_Category_X_Weighted_Contribution": -0.322691, "FDA_Category_X_Top_Rank": -0.0728142, "FDA_Category_D_and_X_L1000_Similarity": 1.12365, "FDA_Category_D_and_X_Structural_Similarity": 1.01087, "FDA_Category_D_and_X_Weighted_Contribution": 1.54062, "FDA_Category_D_and_X_Top_Rank": -0.0525876, "Placenta_Crossing_L1000_Similarity": 1.62559, "Placenta_Crossing_Structural_Similarity": -0.819768, "Placenta_Crossing_Weighted_Contribution": -0.130119, "Placenta_Crossing_Top_Rank": -0.0257419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N", "InChI_key": "RTRQQBHATOEIAF-LZGMGDPASA-N" } }, "CID:16741245": { "type": "Drug", "properties": { "id": "CID:16741245", "label": "4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide", "lsm": "LSM-6250", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16741245", "FDA_Category_D_L1000_Similarity": 0.286217, "FDA_Category_D_Structural_Similarity": -0.368049, "FDA_Category_D_Weighted_Contribution": -0.291626, "FDA_Category_D_Top_Rank": -0.089071, "FDA_Category_X_L1000_Similarity": 0.543601, "FDA_Category_X_Structural_Similarity": 0.219812, "FDA_Category_X_Weighted_Contribution": 0.373101, "FDA_Category_X_Top_Rank": -0.0725548, "FDA_Category_D_and_X_L1000_Similarity": 0.41181, "FDA_Category_D_and_X_Structural_Similarity": -0.173516, "FDA_Category_D_and_X_Weighted_Contribution": -0.0817907, "FDA_Category_D_and_X_Top_Rank": -0.0872991, "Placenta_Crossing_L1000_Similarity": 0.503828, "Placenta_Crossing_Structural_Similarity": -0.447627, "Placenta_Crossing_Weighted_Contribution": -0.302488, "Placenta_Crossing_Top_Rank": -0.0828905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O", "InChI_key": "DTDZLJHKVNTQGZ-GOSISDBHSA-N" } }, "CID:16741282": { "type": "Drug", "properties": { "id": "CID:16741282", "label": "sdm25n", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16741282", "FDA_Category_D_L1000_Similarity": -0.0175107, "FDA_Category_D_Structural_Similarity": 0.429576, "FDA_Category_D_Weighted_Contribution": 0.290269, "FDA_Category_D_Top_Rank": -0.0734246, "FDA_Category_X_L1000_Similarity": 0.294627, "FDA_Category_X_Structural_Similarity": -0.320442, "FDA_Category_X_Weighted_Contribution": -0.282268, "FDA_Category_X_Top_Rank": -0.0849904, "FDA_Category_D_and_X_L1000_Similarity": 0.0743778, "FDA_Category_D_and_X_Structural_Similarity": 0.168051, "FDA_Category_D_and_X_Weighted_Contribution": 0.0588367, "FDA_Category_D_and_X_Top_Rank": -0.0823368, "Placenta_Crossing_L1000_Similarity": 0.251269, "Placenta_Crossing_Structural_Similarity": 1.22334, "Placenta_Crossing_Weighted_Contribution": 1.24223, "Placenta_Crossing_Top_Rank": -0.0384281, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5", "InChI_key": "ZFMVWAWSKLAVOE-OOGIKFLQSA-N" } }, "CID:16759155": { "type": "Drug", "properties": { "id": "CID:16759155", "label": "dau-5884", "lsm": "LSM-2686", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16759155", "FDA_Category_D_L1000_Similarity": 1.65162, "FDA_Category_D_Structural_Similarity": 1.65073, "FDA_Category_D_Weighted_Contribution": 2.58516, "FDA_Category_D_Top_Rank": 0.0291809, "FDA_Category_X_L1000_Similarity": 0.848116, "FDA_Category_X_Structural_Similarity": 0.351852, "FDA_Category_X_Weighted_Contribution": 0.681439, "FDA_Category_X_Top_Rank": -0.0675676, "FDA_Category_D_and_X_L1000_Similarity": 1.68128, "FDA_Category_D_and_X_Structural_Similarity": 1.50006, "FDA_Category_D_and_X_Weighted_Contribution": 2.34706, "FDA_Category_D_and_X_Top_Rank": 0.00549821, "Placenta_Crossing_L1000_Similarity": 1.36537, "Placenta_Crossing_Structural_Similarity": 0.271723, "Placenta_Crossing_Weighted_Contribution": 0.826042, "Placenta_Crossing_Top_Rank": -0.0512001, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "NWXCDQHBVVPPTL-WDNDVIMCSA-N" } }, "CID:16759359": { "type": "Drug", "properties": { "id": "CID:16759359", "label": "sq-29548", "lsm": "LSM-1902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16759359", "FDA_Category_D_L1000_Similarity": 1.03787, "FDA_Category_D_Structural_Similarity": -0.498961, "FDA_Category_D_Weighted_Contribution": -0.0124786, "FDA_Category_D_Top_Rank": -0.0631151, "FDA_Category_X_L1000_Similarity": 0.121003, "FDA_Category_X_Structural_Similarity": -0.272957, "FDA_Category_X_Weighted_Contribution": -0.317591, "FDA_Category_X_Top_Rank": -0.086001, "FDA_Category_D_and_X_L1000_Similarity": 0.931407, "FDA_Category_D_and_X_Structural_Similarity": -0.543318, "FDA_Category_D_and_X_Weighted_Contribution": -0.152128, "FDA_Category_D_and_X_Top_Rank": -0.0727431, "Placenta_Crossing_L1000_Similarity": 0.950168, "Placenta_Crossing_Structural_Similarity": -0.0933684, "Placenta_Crossing_Weighted_Contribution": 0.232199, "Placenta_Crossing_Top_Rank": -0.0721803, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2C(C(C1O2)CC=CCCCC(=O)O)CNNC(=O)NC3=CC=CC=C3", "InChI_key": "RJNDVCNWVBWHLY-BHQIHCQQSA-N" } }, "CID:16759369": { "type": "Drug", "properties": { "id": "CID:16759369", "label": "zm-323881", "lsm": "LSM-3513", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16759369", "FDA_Category_D_L1000_Similarity": 0.433733, "FDA_Category_D_Structural_Similarity": 0.983127, "FDA_Category_D_Weighted_Contribution": 1.15942, "FDA_Category_D_Top_Rank": -0.0512115, "FDA_Category_X_L1000_Similarity": -0.576756, "FDA_Category_X_Structural_Similarity": -0.661718, "FDA_Category_X_Weighted_Contribution": -0.897085, "FDA_Category_X_Top_Rank": -0.0902766, "FDA_Category_D_and_X_L1000_Similarity": 0.19874, "FDA_Category_D_and_X_Structural_Similarity": 0.423261, "FDA_Category_D_and_X_Weighted_Contribution": 0.37494, "FDA_Category_D_and_X_Top_Rank": -0.0762496, "Placenta_Crossing_L1000_Similarity": 0.0417744, "Placenta_Crossing_Structural_Similarity": 0.898045, "Placenta_Crossing_Weighted_Contribution": 0.777964, "Placenta_Crossing_Top_Rank": -0.0552491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F", "InChI_key": "NVBNDZZLJRYRPD-UHFFFAOYSA-N" } }, "CID:1676": { "type": "Drug", "properties": { "id": "CID:1676", "label": "enprofylline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1676", "FDA_Category_D_L1000_Similarity": 0.905188, "FDA_Category_D_Structural_Similarity": 3.02902, "FDA_Category_D_Weighted_Contribution": 3.32144, "FDA_Category_D_Top_Rank": 0.230727, "FDA_Category_X_L1000_Similarity": -0.184548, "FDA_Category_X_Structural_Similarity": -0.259375, "FDA_Category_X_Weighted_Contribution": -0.439021, "FDA_Category_X_Top_Rank": -0.085695, "FDA_Category_D_and_X_L1000_Similarity": 0.72424, "FDA_Category_D_and_X_Structural_Similarity": 2.26421, "FDA_Category_D_and_X_Weighted_Contribution": 2.55354, "FDA_Category_D_and_X_Top_Rank": 0.0714807, "Placenta_Crossing_L1000_Similarity": 0.570654, "Placenta_Crossing_Structural_Similarity": 1.09853, "Placenta_Crossing_Weighted_Contribution": 1.28245, "Placenta_Crossing_Top_Rank": -0.0456018, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C2=C(C(=O)NC1=O)NC=N2", "InChI_key": "SIQPXVQCUCHWDI-UHFFFAOYSA-N" } }, "CID:16960": { "type": "Drug", "properties": { "id": "CID:16960", "label": "dexbrompheniramine", "lsm": "LSM-5386", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16960", "FDA_Category_D_L1000_Similarity": -0.0113266, "FDA_Category_X_L1000_Similarity": 0.314969, "FDA_Category_D_and_X_L1000_Similarity": 0.0858832, "Placenta_Crossing_L1000_Similarity": 0.0151657, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2", "InChI_key": "ZDIGNSYAACHWNL-HNNXBMFYSA-N" } }, "CID:1697": { "type": "Drug", "properties": { "id": "CID:1697", "label": "4,5-dianilinophthalimide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1697", "FDA_Category_D_L1000_Similarity": 0.590572, "FDA_Category_D_Structural_Similarity": -0.795972, "FDA_Category_D_Weighted_Contribution": -0.498779, "FDA_Category_D_Top_Rank": -0.0828692, "FDA_Category_X_L1000_Similarity": -0.621574, "FDA_Category_X_Structural_Similarity": -0.548099, "FDA_Category_X_Weighted_Contribution": -0.834028, "FDA_Category_X_Top_Rank": -0.0904241, "FDA_Category_D_and_X_L1000_Similarity": 0.32032, "FDA_Category_D_and_X_Structural_Similarity": -0.927525, "FDA_Category_D_and_X_Weighted_Contribution": -0.727259, "FDA_Category_D_and_X_Top_Rank": -0.0886453, "Placenta_Crossing_L1000_Similarity": -0.423905, "Placenta_Crossing_Structural_Similarity": -0.903319, "Placenta_Crossing_Weighted_Contribution": -0.973346, "Placenta_Crossing_Top_Rank": -0.0905372, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4", "InChI_key": "AAALVYBICLMAMA-UHFFFAOYSA-N" } }, "CID:170344": { "type": "Drug", "properties": { "id": "CID:170344", "label": "etifenin", "lsm": "LSM-3430", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/170344", "FDA_Category_D_L1000_Similarity": 0.993394, "FDA_Category_D_Structural_Similarity": -0.826393, "FDA_Category_D_Weighted_Contribution": -0.329548, "FDA_Category_D_Top_Rank": -0.0656243, "FDA_Category_X_L1000_Similarity": 0.141825, "FDA_Category_X_Structural_Similarity": 2.3153, "FDA_Category_X_Weighted_Contribution": 2.46384, "FDA_Category_X_Top_Rank": 0.0791364, "FDA_Category_D_and_X_L1000_Similarity": 0.899388, "FDA_Category_D_and_X_Structural_Similarity": 0.593409, "FDA_Category_D_and_X_Weighted_Contribution": 0.960445, "FDA_Category_D_and_X_Top_Rank": -0.0711262, "Placenta_Crossing_L1000_Similarity": 0.97346, "Placenta_Crossing_Structural_Similarity": 0.0326333, "Placenta_Crossing_Weighted_Contribution": 0.369756, "Placenta_Crossing_Top_Rank": -0.0712657, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O", "InChI_key": "WNIDXAKKFOKNEF-UHFFFAOYSA-N" } }, "CID:17134": { "type": "Drug", "properties": { "id": "CID:17134", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID17134", "label": "sulfadoxine", "FDA_Category_D_L1000_Similarity": 0.989788, "FDA_Category_D_Structural_Similarity": -0.492987, "FDA_Category_D_Weighted_Contribution": -0.0332861, "FDA_Category_D_Top_Rank": -0.0658193, "FDA_Category_X_L1000_Similarity": 0.562, "FDA_Category_X_Structural_Similarity": -0.315374, "FDA_Category_X_Weighted_Contribution": -0.154403, "FDA_Category_X_Top_Rank": -0.081594, "FDA_Category_D_and_X_L1000_Similarity": 1.02388, "FDA_Category_D_and_X_Structural_Similarity": -0.561465, "FDA_Category_D_and_X_Weighted_Contribution": -0.122138, "FDA_Category_D_and_X_Top_Rank": -0.0675119, "Placenta_Crossing_L1000_Similarity": 1.40444, "Placenta_Crossing_Structural_Similarity": 2.3186, "Placenta_Crossing_Weighted_Contribution": 2.88129, "Placenta_Crossing_Top_Rank": 0.065758, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "PJSFRIWCGOHTNF-UHFFFAOYSA-N" } }, "CID:171548": { "type": "Drug", "properties": { "id": "CID:171548", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/171548", "label": "biotin", "ref": "LSM-3994", "FDA_Category_D_L1000_Similarity": 1.95623, "FDA_Category_D_Structural_Similarity": -0.561669, "FDA_Category_D_Weighted_Contribution": 0.458397, "FDA_Category_D_Top_Rank": 0.165203, "FDA_Category_X_L1000_Similarity": 0.228665, "FDA_Category_X_Structural_Similarity": 0.100409, "FDA_Category_X_Weighted_Contribution": 0.0873374, "FDA_Category_X_Top_Rank": -0.0770861, "FDA_Category_D_and_X_L1000_Similarity": 1.75575, "FDA_Category_D_and_X_Structural_Similarity": -0.391624, "FDA_Category_D_and_X_Weighted_Contribution": 0.433319, "FDA_Category_D_and_X_Top_Rank": 0.0239886, "Placenta_Crossing_L1000_Similarity": 1.18312, "Placenta_Crossing_Structural_Similarity": 0.193664, "Placenta_Crossing_Weighted_Contribution": 0.645504, "Placenta_Crossing_Top_Rank": -0.0625613, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2", "InChI_key": "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" } }, "CID:1720": { "type": "Drug", "properties": { "id": "CID:1720", "label": "6-amino-benzo[de]isoquinoline-1,3-dione", "lsm": "LSM-3103", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1720", "FDA_Category_D_L1000_Similarity": 0.520715, "FDA_Category_D_Structural_Similarity": 0.886762, "FDA_Category_D_Weighted_Contribution": 1.10971, "FDA_Category_D_Top_Rank": -0.0564077, "FDA_Category_X_L1000_Similarity": -1.04824, "FDA_Category_X_Structural_Similarity": -0.380991, "FDA_Category_X_Weighted_Contribution": -0.86641, "FDA_Category_X_Top_Rank": -0.087894, "FDA_Category_D_and_X_L1000_Similarity": 0.130537, "FDA_Category_D_and_X_Structural_Similarity": 0.498253, "FDA_Category_D_and_X_Weighted_Contribution": 0.411929, "FDA_Category_D_and_X_Top_Rank": -0.0739557, "Placenta_Crossing_L1000_Similarity": 0.292039, "Placenta_Crossing_Structural_Similarity": 0.483757, "Placenta_Crossing_Weighted_Contribution": 0.477216, "Placenta_Crossing_Top_Rank": -0.0700209, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N", "InChI_key": "SSMIFVHARFVINF-UHFFFAOYSA-N" } }, "CID:1727": { "type": "Drug", "properties": { "id": "CID:1727", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1727", "label": "dalfampridine", "FDA_Category_D_L1000_Similarity": 0.799647, "FDA_Category_D_Structural_Similarity": -0.910011, "FDA_Category_D_Weighted_Contribution": -0.492093, "FDA_Category_D_Top_Rank": -0.0758649, "FDA_Category_X_L1000_Similarity": -0.186708, "FDA_Category_X_Structural_Similarity": -0.730227, "FDA_Category_X_Weighted_Contribution": -0.808843, "FDA_Category_X_Top_Rank": -0.088715, "FDA_Category_D_and_X_L1000_Similarity": 0.632608, "FDA_Category_D_and_X_Structural_Similarity": -1.11631, "FDA_Category_D_and_X_Weighted_Contribution": -0.736751, "FDA_Category_D_and_X_Top_Rank": -0.0827825, "Placenta_Crossing_L1000_Similarity": -0.174449, "Placenta_Crossing_Structural_Similarity": 1.084, "Placenta_Crossing_Weighted_Contribution": 0.85928, "Placenta_Crossing_Top_Rank": -0.0463109, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=CC=C1N", "InChI_key": "NUKYPUAOHBNCPY-UHFFFAOYSA-N" } }, "CID:17277": { "type": "Drug", "properties": { "id": "CID:17277", "label": "methyl-dopate", "lsm": "LSM-5885", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17277", "FDA_Category_D_L1000_Similarity": -0.0701227, "FDA_Category_D_Structural_Similarity": -0.810317, "FDA_Category_D_Weighted_Contribution": -0.795536, "FDA_Category_D_Top_Rank": -0.0927719, "FDA_Category_X_L1000_Similarity": -1.05353, "FDA_Category_X_Structural_Similarity": -0.623304, "FDA_Category_X_Weighted_Contribution": -1.02717, "FDA_Category_X_Top_Rank": -0.0913135, "FDA_Category_D_and_X_L1000_Similarity": -0.380387, "FDA_Category_D_and_X_Structural_Similarity": -0.979492, "FDA_Category_D_and_X_Weighted_Contribution": -1.00879, "FDA_Category_D_and_X_Top_Rank": -0.0945942, "Placenta_Crossing_L1000_Similarity": -0.252534, "Placenta_Crossing_Structural_Similarity": 1.65884, "Placenta_Crossing_Weighted_Contribution": 1.43639, "Placenta_Crossing_Top_Rank": -0.00655021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:173614": { "type": "Drug", "properties": { "id": "CID:173614", "label": "gr-144053", "lsm": "LSM-2248", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/173614", "FDA_Category_D_L1000_Similarity": 1.44436, "FDA_Category_D_Structural_Similarity": 0.704623, "FDA_Category_D_Weighted_Contribution": 1.50182, "FDA_Category_D_Top_Rank": -0.0185607, "FDA_Category_X_L1000_Similarity": -0.99994, "FDA_Category_X_Structural_Similarity": 1.44047, "FDA_Category_X_Weighted_Contribution": 0.864156, "FDA_Category_X_Top_Rank": -0.0127539, "FDA_Category_D_and_X_L1000_Similarity": 0.941395, "FDA_Category_D_and_X_Structural_Similarity": 1.33654, "FDA_Category_D_and_X_Weighted_Contribution": 1.77492, "FDA_Category_D_and_X_Top_Rank": -0.0278882, "Placenta_Crossing_L1000_Similarity": 1.35268, "Placenta_Crossing_Structural_Similarity": -0.197448, "Placenta_Crossing_Weighted_Contribution": 0.331783, "Placenta_Crossing_Top_Rank": -0.0522036, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O", "InChI_key": "QGEGSJUSWLLZLH-UHFFFAOYSA-N" } }, "CID:175805": { "type": "Drug", "properties": { "id": "CID:175805", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID175805", "label": "ropivacaine", "FDA_Category_D_L1000_Similarity": 0.174893, "FDA_Category_D_Structural_Similarity": -0.209572, "FDA_Category_D_Weighted_Contribution": -0.209964, "FDA_Category_D_Top_Rank": -0.0897054, "FDA_Category_X_L1000_Similarity": 1.88073, "FDA_Category_X_Structural_Similarity": -0.618438, "FDA_Category_X_Weighted_Contribution": 0.196658, "FDA_Category_X_Top_Rank": -0.00882986, "FDA_Category_D_and_X_L1000_Similarity": 0.721909, "FDA_Category_D_and_X_Structural_Similarity": -0.500047, "FDA_Category_D_and_X_Weighted_Contribution": -0.21717, "FDA_Category_D_and_X_Top_Rank": -0.0806052, "Placenta_Crossing_L1000_Similarity": 1.2306, "Placenta_Crossing_Structural_Similarity": 4.95821, "Placenta_Crossing_Weighted_Contribution": 4.09769, "Placenta_Crossing_Top_Rank": 0.984628, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C", "InChI_key": "ZKMNUMMKYBVTFN-HNNXBMFYSA-N" } }, "CID:177": { "type": "Drug", "properties": { "id": "CID:177", "label": "acetaldehyde", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/177", "FDA_Category_D_L1000_Similarity": -0.193965, "FDA_Category_D_Structural_Similarity": -0.86969, "FDA_Category_D_Weighted_Contribution": -0.883278, "FDA_Category_D_Top_Rank": -0.0936479, "FDA_Category_X_L1000_Similarity": -0.773082, "FDA_Category_X_Structural_Similarity": -0.732288, "FDA_Category_X_Weighted_Contribution": -1.00754, "FDA_Category_X_Top_Rank": -0.0908175, "FDA_Category_D_and_X_L1000_Similarity": -0.401972, "FDA_Category_D_and_X_Structural_Similarity": -1.08542, "FDA_Category_D_and_X_Weighted_Contribution": -1.07472, "FDA_Category_D_and_X_Top_Rank": -0.0946755, "Placenta_Crossing_L1000_Similarity": -0.108311, "Placenta_Crossing_Structural_Similarity": -0.936182, "Placenta_Crossing_Weighted_Contribution": -0.895104, "Placenta_Crossing_Top_Rank": -0.0890462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:17759555": { "type": "Drug", "properties": { "id": "CID:17759555", "label": "cyanoquinoline-11", "lsm": "LSM-6200", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17759555", "FDA_Category_D_L1000_Similarity": -0.0108849, "FDA_Category_D_Structural_Similarity": 0.747902, "FDA_Category_D_Weighted_Contribution": 0.623556, "FDA_Category_D_Top_Rank": -0.0624633, "FDA_Category_X_L1000_Similarity": -0.843652, "FDA_Category_X_Structural_Similarity": -0.604001, "FDA_Category_X_Weighted_Contribution": -0.947707, "FDA_Category_X_Top_Rank": -0.0909678, "FDA_Category_D_and_X_L1000_Similarity": -0.265583, "FDA_Category_D_and_X_Structural_Similarity": 0.267703, "FDA_Category_D_and_X_Weighted_Contribution": -0.0256902, "FDA_Category_D_and_X_Top_Rank": -0.0801945, "Placenta_Crossing_L1000_Similarity": -0.870617, "Placenta_Crossing_Structural_Similarity": 0.0155897, "Placenta_Crossing_Weighted_Contribution": -0.494153, "Placenta_Crossing_Top_Rank": -0.0820165, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1NC2=C3C=C(C=C(C3=NC=C2C#N)Cl)NCC4=CN=CN4)Cl)F", "InChI_key": "ONXROKMQGCSOMG-UHFFFAOYSA-N" } }, "CID:1794": { "type": "Drug", "properties": { "id": "CID:1794", "label": "hexamethyleneamiloride", "lsm": "LSM-2912", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1794", "FDA_Category_D_L1000_Similarity": -0.835543, "FDA_Category_D_Structural_Similarity": -0.654926, "FDA_Category_D_Weighted_Contribution": -0.983873, "FDA_Category_D_Top_Rank": -0.0955026, "FDA_Category_X_L1000_Similarity": -1.10352, "FDA_Category_X_Structural_Similarity": -0.492304, "FDA_Category_X_Weighted_Contribution": -0.959703, "FDA_Category_X_Top_Rank": -0.0896813, "FDA_Category_D_and_X_L1000_Similarity": -1.05537, "FDA_Category_D_and_X_Structural_Similarity": -0.785468, "FDA_Category_D_and_X_Weighted_Contribution": -1.11021, "FDA_Category_D_and_X_Top_Rank": -0.0958792, "Placenta_Crossing_L1000_Similarity": -0.409445, "Placenta_Crossing_Structural_Similarity": -0.674732, "Placenta_Crossing_Weighted_Contribution": -0.824806, "Placenta_Crossing_Top_Rank": -0.0904831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N", "InChI_key": "RQQJJXVETXFINY-UHFFFAOYSA-N" } }, "CID:180933": { "type": "Drug", "properties": { "id": "CID:180933", "label": "chrysenequinone", "lsm": "LSM-5357", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/180933", "FDA_Category_D_L1000_Similarity": -2.55624, "FDA_Category_D_Structural_Similarity": -0.970895, "FDA_Category_D_Weighted_Contribution": -1.57173, "FDA_Category_D_Top_Rank": -0.0970395, "FDA_Category_X_L1000_Similarity": -2.72322, "FDA_Category_X_Structural_Similarity": -0.264131, "FDA_Category_X_Weighted_Contribution": -1.29272, "FDA_Category_X_Top_Rank": -0.0858296, "FDA_Category_D_and_X_L1000_Similarity": -3.03051, "FDA_Category_D_and_X_Structural_Similarity": -0.913136, "FDA_Category_D_and_X_Weighted_Contribution": -1.59289, "FDA_Category_D_and_X_Top_Rank": -0.0964273, "Placenta_Crossing_L1000_Similarity": -3.46929, "Placenta_Crossing_Structural_Similarity": -0.432373, "Placenta_Crossing_Weighted_Contribution": -1.47477, "Placenta_Crossing_Top_Rank": -0.0890398, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:18343": { "type": "Drug", "properties": { "id": "CID:18343", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID18343", "label": "doxifluridine", "FDA_Category_D_L1000_Similarity": 1.60636, "FDA_Category_D_Structural_Similarity": 2.31688, "FDA_Category_D_Weighted_Contribution": 3.11219, "FDA_Category_D_Top_Rank": 0.107211, "FDA_Category_X_L1000_Similarity": 3.3689, "FDA_Category_X_Structural_Similarity": 0.692816, "FDA_Category_X_Weighted_Contribution": 2.45612, "FDA_Category_X_Top_Rank": 1.29157, "FDA_Category_D_and_X_L1000_Similarity": 2.40778, "FDA_Category_D_and_X_Structural_Similarity": 2.21278, "FDA_Category_D_and_X_Weighted_Contribution": 3.2334, "FDA_Category_D_and_X_Top_Rank": 0.371489, "Placenta_Crossing_L1000_Similarity": 1.13115, "Placenta_Crossing_Structural_Similarity": -0.109288, "Placenta_Crossing_Weighted_Contribution": 0.307515, "Placenta_Crossing_Top_Rank": -0.0652486, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O", "InChI_key": "ZWAOHEXOSAUJHY-ZIYNGMLESA-N" } }, "CID:183470": { "type": "Drug", "properties": { "id": "CID:183470", "label": "u-54494a", "lsm": "LSM-2465", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/183470", "FDA_Category_D_L1000_Similarity": 0.391376, "FDA_Category_D_Structural_Similarity": -0.890597, "FDA_Category_D_Weighted_Contribution": -0.660646, "FDA_Category_D_Top_Rank": -0.0873342, "FDA_Category_X_L1000_Similarity": 0.489529, "FDA_Category_X_Structural_Similarity": -0.68538, "FDA_Category_X_Weighted_Contribution": -0.513455, "FDA_Category_X_Top_Rank": -0.0826441, "FDA_Category_D_and_X_L1000_Similarity": 0.486033, "FDA_Category_D_and_X_Structural_Similarity": -1.07671, "FDA_Category_D_and_X_Weighted_Contribution": -0.765842, "FDA_Category_D_and_X_Top_Rank": -0.0859084, "Placenta_Crossing_L1000_Similarity": 0.743506, "Placenta_Crossing_Structural_Similarity": -1.02178, "Placenta_Crossing_Weighted_Contribution": -0.659644, "Placenta_Crossing_Top_Rank": -0.0778077, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1CCCCC1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl", "InChI_key": "JUBNVWGVNWIXMB-SJORKVTESA-N" } }, "CID:183782": { "type": "Drug", "properties": { "id": "CID:183782", "label": "rs-67333", "lsm": "LSM-3018", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/183782", "FDA_Category_D_L1000_Similarity": 0.0485439, "FDA_Category_D_Structural_Similarity": 1.02485, "FDA_Category_D_Weighted_Contribution": 0.958687, "FDA_Category_D_Top_Rank": -0.0492633, "FDA_Category_X_L1000_Similarity": 0.769518, "FDA_Category_X_Structural_Similarity": -0.0901267, "FDA_Category_X_Weighted_Contribution": 0.168286, "FDA_Category_X_Top_Rank": -0.077695, "FDA_Category_D_and_X_L1000_Similarity": 0.275539, "FDA_Category_D_and_X_Structural_Similarity": 0.764803, "FDA_Category_D_and_X_Weighted_Contribution": 0.771372, "FDA_Category_D_and_X_Top_Rank": -0.064866, "Placenta_Crossing_L1000_Similarity": 0.236242, "Placenta_Crossing_Structural_Similarity": 0.719937, "Placenta_Crossing_Weighted_Contribution": 0.69382, "Placenta_Crossing_Top_Rank": -0.0623952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)Cl", "InChI_key": "JBHLYIVFFLNISJ-UHFFFAOYSA-N" } }, "CID:190901": { "type": "Drug", "properties": { "id": "CID:190901", "label": "N-MPPP", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/190901", "FDA_Category_D_L1000_Similarity": 0.630726, "FDA_Category_X_L1000_Similarity": 1.49727, "FDA_Category_D_and_X_L1000_Similarity": 0.998384, "Placenta_Crossing_L1000_Similarity": 0.759484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:194138": { "type": "Drug", "properties": { "id": "CID:194138", "label": "EHPG-piperazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/194138", "FDA_Category_D_L1000_Similarity": -0.108683, "FDA_Category_D_Structural_Similarity": -0.307435, "FDA_Category_D_Weighted_Contribution": -0.435021, "FDA_Category_D_Top_Rank": -0.0915003, "FDA_Category_X_L1000_Similarity": -0.402364, "FDA_Category_X_Structural_Similarity": -0.536164, "FDA_Category_X_Weighted_Contribution": -0.746173, "FDA_Category_X_Top_Rank": -0.0896902, "FDA_Category_D_and_X_L1000_Similarity": -0.215871, "FDA_Category_D_and_X_Structural_Similarity": -0.533327, "FDA_Category_D_and_X_Weighted_Contribution": -0.66116, "FDA_Category_D_and_X_Top_Rank": -0.093734, "Placenta_Crossing_L1000_Similarity": -0.155638, "Placenta_Crossing_Structural_Similarity": -0.224106, "Placenta_Crossing_Weighted_Contribution": -0.395241, "Placenta_Crossing_Top_Rank": -0.0862878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:195165": { "type": "Drug", "properties": { "id": "CID:195165", "label": "sr-95639a", "lsm": "LSM-2435", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/195165", "FDA_Category_D_L1000_Similarity": 1.04413, "FDA_Category_D_Structural_Similarity": -0.777496, "FDA_Category_D_Weighted_Contribution": -0.261801, "FDA_Category_D_Top_Rank": -0.0627209, "FDA_Category_X_L1000_Similarity": 1.99332, "FDA_Category_X_Structural_Similarity": 1.7479, "FDA_Category_X_Weighted_Contribution": 2.81032, "FDA_Category_X_Top_Rank": 0.0104225, "FDA_Category_D_and_X_L1000_Similarity": 1.50539, "FDA_Category_D_and_X_Structural_Similarity": 0.326051, "FDA_Category_D_and_X_Weighted_Contribution": 1.03769, "FDA_Category_D_and_X_Top_Rank": -0.0228499, "Placenta_Crossing_L1000_Similarity": 1.63395, "Placenta_Crossing_Structural_Similarity": -0.956764, "Placenta_Crossing_Weighted_Contribution": -0.247397, "Placenta_Crossing_Top_Rank": -0.0249551, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC=CC=C2C3=NN=C(C=C3C1)NCCN4CCOCC4", "InChI_key": "RUTYAHFAKWVMNH-UHFFFAOYSA-N" } }, "CID:19675": { "type": "Drug", "properties": { "id": "CID:19675", "label": "piperacetazine", "lsm": "LSM-2355", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19675", "FDA_Category_D_L1000_Similarity": 0.060321, "FDA_Category_D_Structural_Similarity": -0.427823, "FDA_Category_D_Weighted_Contribution": -0.452465, "FDA_Category_D_Top_Rank": -0.0916606, "FDA_Category_X_L1000_Similarity": 0.103357, "FDA_Category_X_Structural_Similarity": -0.551279, "FDA_Category_X_Weighted_Contribution": -0.561829, "FDA_Category_X_Top_Rank": -0.0868198, "FDA_Category_D_and_X_L1000_Similarity": 0.0833861, "FDA_Category_D_and_X_Structural_Similarity": -0.637036, "FDA_Category_D_and_X_Weighted_Contribution": -0.614564, "FDA_Category_D_and_X_Top_Rank": -0.0914714, "Placenta_Crossing_L1000_Similarity": -0.502761, "Placenta_Crossing_Structural_Similarity": 0.769079, "Placenta_Crossing_Weighted_Contribution": 0.357186, "Placenta_Crossing_Top_Rank": -0.0606973, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO", "InChI_key": "BTFMCMVEUCGQDX-UHFFFAOYSA-N" } }, "CID:19728": { "type": "Drug", "properties": { "id": "CID:19728", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID19728", "label": "noscapine", "FDA_Category_D_L1000_Similarity": 2.24247, "FDA_Category_D_Structural_Similarity": 0.107066, "FDA_Category_D_Weighted_Contribution": 1.35984, "FDA_Category_D_Top_Rank": 0.383509, "FDA_Category_X_L1000_Similarity": 3.20102, "FDA_Category_X_Structural_Similarity": -0.497647, "FDA_Category_X_Weighted_Contribution": 1.04961, "FDA_Category_X_Top_Rank": 0.924527, "FDA_Category_D_and_X_L1000_Similarity": 2.90513, "FDA_Category_D_and_X_Structural_Similarity": -0.183548, "FDA_Category_D_and_X_Weighted_Contribution": 1.33217, "FDA_Category_D_and_X_Top_Rank": 1.40797, "Placenta_Crossing_L1000_Similarity": 2.42827, "Placenta_Crossing_Structural_Similarity": -0.499555, "Placenta_Crossing_Weighted_Contribution": 0.581136, "Placenta_Crossing_Top_Rank": 0.227865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3", "InChI_key": "AKNNEGZIBPJZJG-QNSVNVJESA-N" } }, "CID:20054848": { "type": "Drug", "properties": { "id": "CID:20054848", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID20054848", "label": "bietaserpine", "FDA_Category_D_L1000_Similarity": -0.811249, "FDA_Category_D_Structural_Similarity": 1.50422, "FDA_Category_D_Weighted_Contribution": 0.932474, "FDA_Category_D_Top_Rank": -0.0169099, "FDA_Category_X_L1000_Similarity": 0.187664, "FDA_Category_X_Structural_Similarity": 2.03643, "FDA_Category_X_Weighted_Contribution": 2.19862, "FDA_Category_X_Top_Rank": 0.0431634, "FDA_Category_D_and_X_L1000_Similarity": -0.642319, "FDA_Category_D_and_X_Structural_Similarity": 2.29277, "FDA_Category_D_and_X_Weighted_Contribution": 1.84553, "FDA_Category_D_and_X_Top_Rank": 0.0747227, "Placenta_Crossing_L1000_Similarity": -1.43394, "Placenta_Crossing_Structural_Similarity": 0.230131, "Placenta_Crossing_Weighted_Contribution": -0.549548, "Placenta_Crossing_Top_Rank": -0.0770415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCN1C2=C(C=CC(=C2)OC)C3=C1C4CC5C(CC(C(C5C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3", "InChI_key": "WFTSRDISOMSAQC-ZNFOTRSXSA-N" } }, "CID:20393": { "type": "Drug", "properties": { "id": "CID:20393", "label": "monoethylhexylphthalate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20393", "FDA_Category_D_L1000_Similarity": 0.174815, "FDA_Category_D_Structural_Similarity": 0.0221222, "FDA_Category_D_Weighted_Contribution": 0.00231043, "FDA_Category_D_Top_Rank": -0.0846436, "FDA_Category_X_L1000_Similarity": 0.313562, "FDA_Category_X_Structural_Similarity": -0.275356, "FDA_Category_X_Weighted_Contribution": -0.232647, "FDA_Category_X_Top_Rank": -0.0848014, "FDA_Category_D_and_X_L1000_Similarity": 0.245915, "FDA_Category_D_and_X_Structural_Similarity": -0.131022, "FDA_Category_D_and_X_Weighted_Contribution": -0.127193, "FDA_Category_D_and_X_Top_Rank": -0.0889423, "Placenta_Crossing_L1000_Similarity": 0.0305956, "Placenta_Crossing_Structural_Similarity": 0.723865, "Placenta_Crossing_Weighted_Contribution": 0.588498, "Placenta_Crossing_Top_Rank": -0.0621793, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2040": { "type": "Drug", "properties": { "id": "CID:2040", "label": "afloqualone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2040", "FDA_Category_D_L1000_Similarity": 0.771419, "FDA_Category_D_Structural_Similarity": -0.4017, "FDA_Category_D_Weighted_Contribution": -0.0673511, "FDA_Category_D_Top_Rank": -0.0770299, "FDA_Category_X_L1000_Similarity": 0.77117, "FDA_Category_X_Structural_Similarity": -0.64395, "FDA_Category_X_Weighted_Contribution": -0.357977, "FDA_Category_X_Top_Rank": -0.0776494, "FDA_Category_D_and_X_L1000_Similarity": 0.899167, "FDA_Category_D_and_X_Structural_Similarity": -0.666307, "FDA_Category_D_and_X_Weighted_Contribution": -0.27465, "FDA_Category_D_and_X_Top_Rank": -0.0741315, "Placenta_Crossing_L1000_Similarity": 0.261985, "Placenta_Crossing_Structural_Similarity": -0.494531, "Placenta_Crossing_Weighted_Contribution": -0.442838, "Placenta_Crossing_Top_Rank": -0.0860809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2082": { "type": "Drug", "properties": { "id": "CID:2082", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2082", "label": "albendazole", "ref": "LSM-3782", "FDA_Category_D_L1000_Similarity": 0.637889, "FDA_Category_D_Structural_Similarity": -0.37447, "FDA_Category_D_Weighted_Contribution": -0.114261, "FDA_Category_D_Top_Rank": -0.0815194, "FDA_Category_X_L1000_Similarity": -0.847909, "FDA_Category_X_Structural_Similarity": -0.322632, "FDA_Category_X_Weighted_Contribution": -0.753132, "FDA_Category_X_Top_Rank": -0.0868971, "FDA_Category_D_and_X_L1000_Similarity": 0.292371, "FDA_Category_D_and_X_Structural_Similarity": -0.471313, "FDA_Category_D_and_X_Weighted_Contribution": -0.395402, "FDA_Category_D_and_X_Top_Rank": -0.0890624, "Placenta_Crossing_L1000_Similarity": 0.348761, "Placenta_Crossing_Structural_Similarity": -0.733356, "Placenta_Crossing_Weighted_Contribution": -0.594455, "Placenta_Crossing_Top_Rank": -0.0850805, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC", "InChI_key": "HXHWSAZORRCQMX-UHFFFAOYSA-N" } }, "CID:210332": { "type": "Drug", "properties": { "id": "CID:210332", "label": "n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine", "lsm": "LSM-5842", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/210332", "FDA_Category_D_L1000_Similarity": -2.04033, "FDA_Category_D_Structural_Similarity": -0.400872, "FDA_Category_D_Weighted_Contribution": -1.22968, "FDA_Category_D_Top_Rank": -0.0929139, "FDA_Category_X_L1000_Similarity": -1.5953, "FDA_Category_X_Structural_Similarity": -0.565405, "FDA_Category_X_Weighted_Contribution": -1.15346, "FDA_Category_X_Top_Rank": -0.0906636, "FDA_Category_D_and_X_L1000_Similarity": -2.24326, "FDA_Category_D_and_X_Structural_Similarity": -0.623268, "FDA_Category_D_and_X_Weighted_Contribution": -1.34535, "FDA_Category_D_and_X_Top_Rank": -0.0949594, "Placenta_Crossing_L1000_Similarity": -1.74121, "Placenta_Crossing_Structural_Similarity": -0.0975974, "Placenta_Crossing_Weighted_Contribution": -0.888642, "Placenta_Crossing_Top_Rank": -0.0841215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5", "InChI_key": "ZFLJHSQHILSNCM-UHFFFAOYSA-N" } }, "CID:213040": { "type": "Drug", "properties": { "id": "CID:213040", "label": "dofequidar", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/213040", "FDA_Category_D_L1000_Similarity": 0.574951, "FDA_Category_D_Structural_Similarity": -0.369319, "FDA_Category_D_Weighted_Contribution": -0.143122, "FDA_Category_D_Top_Rank": -0.083303, "FDA_Category_X_L1000_Similarity": 1.06891, "FDA_Category_X_Structural_Similarity": -0.345219, "FDA_Category_X_Weighted_Contribution": 0.0622169, "FDA_Category_X_Top_Rank": -0.0692122, "FDA_Category_D_and_X_L1000_Similarity": 0.820225, "FDA_Category_D_and_X_Structural_Similarity": -0.479412, "FDA_Category_D_and_X_Weighted_Contribution": -0.150727, "FDA_Category_D_and_X_Top_Rank": -0.0769793, "Placenta_Crossing_L1000_Similarity": 1.53684, "Placenta_Crossing_Structural_Similarity": -0.426213, "Placenta_Crossing_Weighted_Contribution": 0.197622, "Placenta_Crossing_Top_Rank": -0.0360156, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5", "InChI_key": "KLWUUPVJTLHYIM-UHFFFAOYSA-N" } }, "CID:2165": { "type": "Drug", "properties": { "id": "CID:2165", "label": "amodiaquine", "lsm": "LSM-4042", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2165", "IDG_ID": "186", "FDA_Category_D_L1000_Similarity": -0.339221, "FDA_Category_D_Structural_Similarity": -0.683412, "FDA_Category_D_Weighted_Contribution": -0.816372, "FDA_Category_D_Top_Rank": -0.0944429, "FDA_Category_X_L1000_Similarity": 1.3406, "FDA_Category_X_Structural_Similarity": -0.399951, "FDA_Category_X_Weighted_Contribution": 0.143828, "FDA_Category_X_Top_Rank": -0.0566249, "FDA_Category_D_and_X_L1000_Similarity": 0.114694, "FDA_Category_D_and_X_Structural_Similarity": -0.758245, "FDA_Category_D_and_X_Weighted_Contribution": -0.68942, "FDA_Category_D_and_X_Top_Rank": -0.0911626, "Placenta_Crossing_L1000_Similarity": -0.624956, "Placenta_Crossing_Structural_Similarity": 0.0522109, "Placenta_Crossing_Weighted_Contribution": -0.363675, "Placenta_Crossing_Top_Rank": -0.0811635, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O", "InChI_key": "OVCDSSHSILBFBN-UHFFFAOYSA-N" } }, "CID:2176": { "type": "Drug", "properties": { "id": "CID:2176", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2176", "label": "ampiroxicam", "FDA_Category_D_L1000_Similarity": -0.0942022, "FDA_Category_D_Structural_Similarity": 2.31298, "FDA_Category_D_Weighted_Contribution": 2.24275, "FDA_Category_D_Top_Rank": 0.106444, "FDA_Category_X_L1000_Similarity": -0.0962556, "FDA_Category_X_Structural_Similarity": -0.161256, "FDA_Category_X_Weighted_Contribution": -0.31493, "FDA_Category_X_Top_Rank": -0.0836776, "FDA_Category_D_and_X_L1000_Similarity": -0.110435, "FDA_Category_D_and_X_Structural_Similarity": 1.74883, "FDA_Category_D_and_X_Weighted_Contribution": 1.58942, "FDA_Category_D_and_X_Top_Rank": 0.0095419, "Placenta_Crossing_L1000_Similarity": 0.0163266, "Placenta_Crossing_Structural_Similarity": 0.72238, "Placenta_Crossing_Weighted_Contribution": 0.579405, "Placenta_Crossing_Top_Rank": -0.0622516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3", "InChI_key": "LSNWBKACGXCGAJ-UHFFFAOYSA-N" } }, "CID:21874557": { "type": "Drug", "properties": { "id": "CID:21874557", "label": "vipadenant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/21874557", "FDA_Category_D_L1000_Similarity": -0.185273, "FDA_Category_D_Structural_Similarity": 1.52368, "FDA_Category_D_Weighted_Contribution": 1.35434, "FDA_Category_D_Top_Rank": -0.0147875, "FDA_Category_X_L1000_Similarity": 0.0466528, "FDA_Category_X_Structural_Similarity": 0.0638425, "FDA_Category_X_Weighted_Contribution": -0.0385258, "FDA_Category_X_Top_Rank": -0.0781976, "FDA_Category_D_and_X_L1000_Similarity": -0.145543, "FDA_Category_D_and_X_Structural_Similarity": 1.24382, "FDA_Category_D_and_X_Weighted_Contribution": 1.02946, "FDA_Category_D_and_X_Top_Rank": -0.0360438, "Placenta_Crossing_L1000_Similarity": -0.245848, "Placenta_Crossing_Structural_Similarity": -0.387106, "Placenta_Crossing_Weighted_Contribution": -0.56066, "Placenta_Crossing_Top_Rank": -0.0885503, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)CN2C3=NC(=NC(=C3N=N2)C4=CC=CO4)N)N", "InChI_key": "HQSBCDPYXDGTCL-UHFFFAOYSA-N" } }, "CID:219104": { "type": "Drug", "properties": { "id": "CID:219104", "label": "px-12", "lsm": "LSM-4918", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/219104", "FDA_Category_D_L1000_Similarity": 0.915222, "FDA_Category_D_Structural_Similarity": 0.465257, "FDA_Category_D_Weighted_Contribution": 0.90212, "FDA_Category_D_Top_Rank": -0.0706522, "FDA_Category_X_L1000_Similarity": -0.390496, "FDA_Category_X_Structural_Similarity": 4.1355, "FDA_Category_X_Weighted_Contribution": 3.70447, "FDA_Category_X_Top_Rank": 0.634361, "FDA_Category_D_and_X_L1000_Similarity": 0.670348, "FDA_Category_D_and_X_Structural_Similarity": 2.60078, "FDA_Category_D_and_X_Weighted_Contribution": 2.81105, "FDA_Category_D_and_X_Top_Rank": 0.121247, "Placenta_Crossing_L1000_Similarity": 0.371344, "Placenta_Crossing_Structural_Similarity": 1.99121, "Placenta_Crossing_Weighted_Contribution": 2.11358, "Placenta_Crossing_Top_Rank": 0.0309048, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)SSC1=NC=CN1", "InChI_key": "BPBPYQWMFCTCNG-UHFFFAOYSA-N" } }, "CID:2203170": { "type": "Drug", "properties": { "id": "CID:2203170", "label": "emf-sumo1-2", "lsm": "LSM-4496", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2203170", "FDA_Category_D_L1000_Similarity": 0.664249, "FDA_Category_D_Structural_Similarity": -0.393572, "FDA_Category_D_Weighted_Contribution": -0.117611, "FDA_Category_D_Top_Rank": -0.0807878, "FDA_Category_X_L1000_Similarity": 1.60394, "FDA_Category_X_Structural_Similarity": -0.630629, "FDA_Category_X_Weighted_Contribution": 0.0446558, "FDA_Category_X_Top_Rank": -0.0388643, "FDA_Category_D_and_X_L1000_Similarity": 1.05967, "FDA_Category_D_and_X_Structural_Similarity": -0.652668, "FDA_Category_D_and_X_Weighted_Contribution": -0.18514, "FDA_Category_D_and_X_Top_Rank": -0.0654902, "Placenta_Crossing_L1000_Similarity": 1.17411, "Placenta_Crossing_Structural_Similarity": -0.559316, "Placenta_Crossing_Weighted_Contribution": -0.10173, "Placenta_Crossing_Top_Rank": -0.0630736, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl", "InChI_key": "QYOVKDKSKVPVHI-UHFFFAOYSA-N" } }, "CID:224246": { "type": "Drug", "properties": { "id": "CID:224246", "label": "isoflupredone acetate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/224246", "FDA_Category_D_L1000_Similarity": 1.16805, "FDA_Category_X_L1000_Similarity": -0.240262, "FDA_Category_D_and_X_L1000_Similarity": 0.933904, "Placenta_Crossing_L1000_Similarity": 1.14433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)O", "InChI_key": "ZOCUOMKMBMEYQV-GSLJADNHSA-N" } }, "CID:228398": { "type": "Drug", "properties": { "id": "CID:228398", "label": "L-theanine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/228398", "FDA_Category_D_L1000_Similarity": 0.327661, "FDA_Category_D_Structural_Similarity": 0.000553492, "FDA_Category_D_Weighted_Contribution": 0.0669944, "FDA_Category_D_Top_Rank": -0.0851979, "FDA_Category_X_L1000_Similarity": 0.58403, "FDA_Category_X_Structural_Similarity": -0.596408, "FDA_Category_X_Weighted_Contribution": -0.398177, "FDA_Category_X_Top_Rank": -0.0812405, "FDA_Category_D_and_X_L1000_Similarity": 0.459814, "FDA_Category_D_and_X_Structural_Similarity": -0.32138, "FDA_Category_D_and_X_Weighted_Contribution": -0.189497, "FDA_Category_D_and_X_Top_Rank": -0.0864241, "Placenta_Crossing_L1000_Similarity": 0.148886, "Placenta_Crossing_Structural_Similarity": -0.254322, "Placenta_Crossing_Weighted_Contribution": -0.291211, "Placenta_Crossing_Top_Rank": -0.0867659, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:229021": { "type": "Drug", "properties": { "id": "CID:229021", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID229021", "label": "methandriol", "FDA_Category_D_L1000_Similarity": -1.23212, "FDA_Category_D_Structural_Similarity": -0.581096, "FDA_Category_D_Weighted_Contribution": -1.07609, "FDA_Category_D_Top_Rank": -0.0948513, "FDA_Category_X_L1000_Similarity": 0.566756, "FDA_Category_X_Structural_Similarity": 5.0915, "FDA_Category_X_Weighted_Contribution": 4.29376, "FDA_Category_X_Top_Rank": 1.05506, "FDA_Category_D_and_X_L1000_Similarity": -0.889992, "FDA_Category_D_and_X_Structural_Similarity": 2.28613, "FDA_Category_D_and_X_Weighted_Contribution": 1.69476, "FDA_Category_D_and_X_Top_Rank": 0.0730868, "Placenta_Crossing_L1000_Similarity": -0.892266, "Placenta_Crossing_Structural_Similarity": 0.698968, "Placenta_Crossing_Weighted_Contribution": 0.0940207, "Placenta_Crossing_Top_Rank": -0.063188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C)O)C)O", "InChI_key": "WRWBCPJQPDHXTJ-DTMQFJJTSA-N" } }, "CID:2300880": { "type": "Drug", "properties": { "id": "CID:2300880", "label": "st-013960", "lsm": "LSM-4594", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2300880", "FDA_Category_D_L1000_Similarity": -0.35044, "FDA_Category_X_L1000_Similarity": -0.464637, "FDA_Category_D_and_X_L1000_Similarity": -0.443188, "Placenta_Crossing_L1000_Similarity": -0.816763, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=CC=C2OCCNC(=O)C3=CC=CO3", "InChI_key": "XOWNJUKMTCPTEG-UHFFFAOYSA-N" } }, "CID:230748": { "type": "Drug", "properties": { "id": "CID:230748", "label": "inca-6", "lsm": "LSM-2729", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/230748", "FDA_Category_D_L1000_Similarity": -0.709284, "FDA_Category_D_Structural_Similarity": -0.58365, "FDA_Category_D_Weighted_Contribution": -0.893418, "FDA_Category_D_Top_Rank": -0.0948751, "FDA_Category_X_L1000_Similarity": 0.912109, "FDA_Category_X_Structural_Similarity": 0.41449, "FDA_Category_X_Weighted_Contribution": 0.78664, "FDA_Category_X_Top_Rank": -0.0651971, "FDA_Category_D_and_X_L1000_Similarity": -0.334425, "FDA_Category_D_and_X_Structural_Similarity": -0.239594, "FDA_Category_D_and_X_Weighted_Contribution": -0.490737, "FDA_Category_D_and_X_Top_Rank": -0.0908056, "Placenta_Crossing_L1000_Similarity": -0.103845, "Placenta_Crossing_Structural_Similarity": -0.860882, "Placenta_Crossing_Weighted_Contribution": -0.845262, "Placenta_Crossing_Top_Rank": -0.0890191, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C3C(=O)C=CC5=O", "InChI_key": "GCHPUOHXXCNSQL-UHFFFAOYSA-N" } }, "CID:2315": { "type": "Drug", "properties": { "id": "CID:2315", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2315", "label": "bendroflumethiazide", "FDA_Category_D_L1000_Similarity": 0.683452, "FDA_Category_D_Structural_Similarity": -0.333337, "FDA_Category_D_Weighted_Contribution": -0.0517019, "FDA_Category_D_Top_Rank": -0.0801805, "FDA_Category_X_L1000_Similarity": 1.03168, "FDA_Category_X_Structural_Similarity": -0.532601, "FDA_Category_X_Weighted_Contribution": -0.137637, "FDA_Category_X_Top_Rank": -0.0704805, "FDA_Category_D_and_X_L1000_Similarity": 0.902454, "FDA_Category_D_and_X_Structural_Similarity": -0.551964, "FDA_Category_D_and_X_Weighted_Contribution": -0.174095, "FDA_Category_D_and_X_Top_Rank": -0.0739262, "Placenta_Crossing_L1000_Similarity": 1.43133, "Placenta_Crossing_Structural_Similarity": -0.291652, "Placenta_Crossing_Weighted_Contribution": 0.277537, "Placenta_Crossing_Top_Rank": -0.0458573, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2", "InChI_key": "HDWIHXWEUNVBIY-UHFFFAOYSA-N" } }, "CID:23236067": { "type": "Drug", "properties": { "id": "CID:23236067", "label": "flunisolide", "lsm": "LSM-1711", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23236067", "IDG_ID": "1201", "FDA_Category_D_L1000_Similarity": -0.0885733, "FDA_Category_D_Structural_Similarity": 0.304932, "FDA_Category_D_Weighted_Contribution": 0.125605, "FDA_Category_D_Top_Rank": -0.0770773, "FDA_Category_X_L1000_Similarity": -0.686197, "FDA_Category_X_Structural_Similarity": 1.28802, "FDA_Category_X_Weighted_Contribution": 0.869267, "FDA_Category_X_Top_Rank": -0.021527, "FDA_Category_D_and_X_L1000_Similarity": -0.284737, "FDA_Category_D_and_X_Structural_Similarity": 0.937041, "FDA_Category_D_and_X_Weighted_Contribution": 0.622972, "FDA_Category_D_and_X_Top_Rank": -0.0563994, "Placenta_Crossing_L1000_Similarity": -0.0656815, "Placenta_Crossing_Structural_Similarity": 0.547827, "Placenta_Crossing_Weighted_Contribution": 0.357672, "Placenta_Crossing_Top_Rank": -0.0682773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C", "InChI_key": "XSFJVAJPIHIPKU-QYOXGAPUSA-N" } }, "CID:2326": { "type": "Drug", "properties": { "id": "CID:2326", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2326", "label": "benproperine", "FDA_Category_D_L1000_Similarity": -0.0349764, "FDA_Category_D_Structural_Similarity": -0.698324, "FDA_Category_D_Weighted_Contribution": -0.702463, "FDA_Category_D_Top_Rank": -0.0924917, "FDA_Category_X_L1000_Similarity": 0.672676, "FDA_Category_X_Structural_Similarity": -0.348583, "FDA_Category_X_Weighted_Contribution": -0.133509, "FDA_Category_X_Top_Rank": -0.0797086, "FDA_Category_D_and_X_L1000_Similarity": 0.174133, "FDA_Category_D_and_X_Structural_Similarity": -0.742363, "FDA_Category_D_and_X_Weighted_Contribution": -0.654256, "FDA_Category_D_and_X_Top_Rank": -0.0905527, "Placenta_Crossing_L1000_Similarity": -0.728252, "Placenta_Crossing_Structural_Similarity": 0.168307, "Placenta_Crossing_Weighted_Contribution": -0.310221, "Placenta_Crossing_Top_Rank": -0.0785496, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCCCC3", "InChI_key": "JTUQXGZRVLWBCR-UHFFFAOYSA-N" } }, "CID:2327": { "type": "Drug", "properties": { "id": "CID:2327", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2327", "label": "benserazide", "ref": "LSM-5097", "FDA_Category_D_L1000_Similarity": 1.43776, "FDA_Category_D_Structural_Similarity": -0.773262, "FDA_Category_D_Weighted_Contribution": -0.0500382, "FDA_Category_D_Top_Rank": -0.0194237, "FDA_Category_X_L1000_Similarity": -0.296894, "FDA_Category_X_Structural_Similarity": -0.163859, "FDA_Category_X_Weighted_Contribution": -0.405324, "FDA_Category_X_Top_Rank": -0.0837637, "FDA_Category_D_and_X_L1000_Similarity": 1.14921, "FDA_Category_D_and_X_Structural_Similarity": -0.702166, "FDA_Category_D_and_X_Weighted_Contribution": -0.184531, "FDA_Category_D_and_X_Top_Rank": -0.0593124, "Placenta_Crossing_L1000_Similarity": 0.824439, "Placenta_Crossing_Structural_Similarity": -0.319789, "Placenta_Crossing_Weighted_Contribution": -0.0448718, "Placenta_Crossing_Top_Rank": -0.0756416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O", "InChI_key": "BNQDCRGUHNALGH-UHFFFAOYSA-N" } }, "CID:23606608": { "type": "Drug", "properties": { "id": "CID:23606608", "label": "emf-sumo1-10", "lsm": "LSM-4840", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23606608", "FDA_Category_D_L1000_Similarity": 0.644097, "FDA_Category_D_Structural_Similarity": -0.70444, "FDA_Category_D_Weighted_Contribution": -0.398953, "FDA_Category_D_Top_Rank": -0.0813141, "FDA_Category_X_L1000_Similarity": 0.293193, "FDA_Category_X_Structural_Similarity": -0.42002, "FDA_Category_X_Weighted_Contribution": -0.371342, "FDA_Category_X_Top_Rank": -0.0850214, "FDA_Category_D_and_X_L1000_Similarity": 0.644263, "FDA_Category_D_and_X_Structural_Similarity": -0.785764, "FDA_Category_D_and_X_Weighted_Contribution": -0.488824, "FDA_Category_D_and_X_Top_Rank": -0.0825584, "Placenta_Crossing_L1000_Similarity": 1.49971, "Placenta_Crossing_Structural_Similarity": -0.86049, "Placenta_Crossing_Weighted_Contribution": -0.22288, "Placenta_Crossing_Top_Rank": -0.04004, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(C1=CC=C(C=C1)F)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O", "InChI_key": "BTGJJKUUMGGZNO-UHFFFAOYSA-N" } }, "CID:23649325": { "type": "Drug", "properties": { "id": "CID:23649325", "label": "AZD-1283", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23649325", "FDA_Category_D_L1000_Similarity": 0.837754, "FDA_Category_D_Structural_Similarity": -0.86927, "FDA_Category_D_Weighted_Contribution": -0.441237, "FDA_Category_D_Top_Rank": -0.0742465, "FDA_Category_X_L1000_Similarity": -1.02151, "FDA_Category_X_Structural_Similarity": -0.679637, "FDA_Category_X_Weighted_Contribution": -1.052, "FDA_Category_X_Top_Rank": -0.0913054, "FDA_Category_D_and_X_L1000_Similarity": 0.411944, "FDA_Category_D_and_X_Structural_Similarity": -1.05668, "FDA_Category_D_and_X_Weighted_Contribution": -0.780355, "FDA_Category_D_and_X_Top_Rank": -0.0872904, "Placenta_Crossing_L1000_Similarity": 0.0292144, "Placenta_Crossing_Structural_Similarity": -0.958775, "Placenta_Crossing_Weighted_Contribution": -0.864985, "Placenta_Crossing_Top_Rank": -0.0881325, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2366": { "type": "Drug", "properties": { "id": "CID:2366", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2366", "label": "betahistine", "ref": "LSM-4044", "FDA_Category_D_L1000_Similarity": 1.65078, "FDA_Category_D_Structural_Similarity": -0.890314, "FDA_Category_D_Weighted_Contribution": -0.0428708, "FDA_Category_D_Top_Rank": 0.0279726, "FDA_Category_X_L1000_Similarity": 2.66668, "FDA_Category_X_Structural_Similarity": -0.451227, "FDA_Category_X_Weighted_Contribution": 0.80036, "FDA_Category_X_Top_Rank": 0.2682, "FDA_Category_D_and_X_L1000_Similarity": 2.23282, "FDA_Category_D_and_X_Structural_Similarity": -0.950134, "FDA_Category_D_and_X_Weighted_Contribution": 0.145987, "FDA_Category_D_and_X_Top_Rank": 0.238733, "Placenta_Crossing_L1000_Similarity": 1.34946, "Placenta_Crossing_Structural_Similarity": -0.836157, "Placenta_Crossing_Weighted_Contribution": -0.26788, "Placenta_Crossing_Top_Rank": -0.0525545, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCC1=CC=CC=N1", "InChI_key": "UUQMNUMQCIQDMZ-UHFFFAOYSA-N" } }, "CID:23748533": { "type": "Drug", "properties": { "id": "CID:23748533", "label": "ml-3163", "lsm": "LSM-4138", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23748533", "FDA_Category_D_L1000_Similarity": 0.45022, "FDA_Category_D_Structural_Similarity": 1.21648, "FDA_Category_D_Weighted_Contribution": 1.42526, "FDA_Category_D_Top_Rank": -0.0393984, "FDA_Category_X_L1000_Similarity": 1.59247, "FDA_Category_X_Structural_Similarity": -0.681056, "FDA_Category_X_Weighted_Contribution": -0.010636, "FDA_Category_X_Top_Rank": -0.0402489, "FDA_Category_D_and_X_L1000_Similarity": 0.871699, "FDA_Category_D_and_X_Structural_Similarity": 0.598044, "FDA_Category_D_and_X_Weighted_Contribution": 0.948843, "FDA_Category_D_and_X_Top_Rank": -0.0709119, "Placenta_Crossing_L1000_Similarity": 0.805112, "Placenta_Crossing_Structural_Similarity": 0.0912221, "Placenta_Crossing_Weighted_Contribution": 0.342721, "Placenta_Crossing_Top_Rank": -0.0761978, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[S+](C1=CC=C(C=C1)CSC2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O", "InChI_key": "ANMPJJNVRCURIU-UHFFFAOYSA-N" } }, "CID:2378": { "type": "Drug", "properties": { "id": "CID:2378", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2378", "label": "bifonazole", "FDA_Category_D_L1000_Similarity": 0.19662, "FDA_Category_D_Structural_Similarity": 0.623208, "FDA_Category_D_Weighted_Contribution": 0.620189, "FDA_Category_D_Top_Rank": -0.0667184, "FDA_Category_X_L1000_Similarity": 0.427542, "FDA_Category_X_Structural_Similarity": 1.20303, "FDA_Category_X_Weighted_Contribution": 1.40625, "FDA_Category_X_Top_Rank": -0.0280362, "FDA_Category_D_and_X_L1000_Similarity": 0.299325, "FDA_Category_D_and_X_Structural_Similarity": 1.1438, "FDA_Category_D_and_X_Weighted_Contribution": 1.18936, "FDA_Category_D_and_X_Top_Rank": -0.042982, "Placenta_Crossing_L1000_Similarity": -0.039363, "Placenta_Crossing_Structural_Similarity": 0.147484, "Placenta_Crossing_Weighted_Contribution": -0.0179682, "Placenta_Crossing_Top_Rank": -0.078946, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4", "InChI_key": "OCAPBUJLXMYKEJ-UHFFFAOYSA-N" } }, "CID:2378095": { "type": "Drug", "properties": { "id": "CID:2378095", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2378095", "label": "decafluorobutane", "FDA_Category_D_L1000_Similarity": 0.534349, "FDA_Category_D_Structural_Similarity": -0.792098, "FDA_Category_D_Weighted_Contribution": -0.521773, "FDA_Category_D_Top_Rank": -0.0844451, "FDA_Category_X_L1000_Similarity": -0.836054, "FDA_Category_X_Structural_Similarity": -0.658662, "FDA_Category_X_Weighted_Contribution": -0.980738, "FDA_Category_X_Top_Rank": -0.0909524, "FDA_Category_D_and_X_L1000_Similarity": 0.206729, "FDA_Category_D_and_X_Structural_Similarity": -0.98411, "FDA_Category_D_and_X_Weighted_Contribution": -0.808643, "FDA_Category_D_and_X_Top_Rank": -0.0901255, "Placenta_Crossing_L1000_Similarity": 0.361557, "Placenta_Crossing_Structural_Similarity": -0.835421, "Placenta_Crossing_Weighted_Contribution": -0.665025, "Placenta_Crossing_Top_Rank": -0.0849231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)F)C=NN=CC2=CC(=CC=C2)F", "InChI_key": "YYMCVDNIIFNDJK-UHFFFAOYSA-N" } }, "CID:23789067": { "type": "Drug", "properties": { "id": "CID:23789067", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID23789067", "label": "Sisomicin", "FDA_Category_D_L1000_Similarity": -0.641931, "FDA_Category_D_Structural_Similarity": -0.0790236, "FDA_Category_D_Weighted_Contribution": -0.502584, "FDA_Category_D_Top_Rank": -0.0870375, "FDA_Category_X_L1000_Similarity": 0.916048, "FDA_Category_X_Structural_Similarity": -0.463017, "FDA_Category_X_Weighted_Contribution": -0.126555, "FDA_Category_X_Top_Rank": -0.0739293, "FDA_Category_D_and_X_L1000_Similarity": -0.275168, "FDA_Category_D_and_X_Structural_Similarity": -0.312564, "FDA_Category_D_and_X_Weighted_Contribution": -0.521561, "FDA_Category_D_and_X_Top_Rank": -0.0918852, "Placenta_Crossing_L1000_Similarity": -0.396192, "Placenta_Crossing_Structural_Similarity": -0.179357, "Placenta_Crossing_Weighted_Contribution": -0.45786, "Placenta_Crossing_Top_Rank": -0.0856421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:23919667": { "type": "Drug", "properties": { "id": "CID:23919667", "label": "dy-44", "lsm": "LSM-4718", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23919667", "FDA_Category_D_L1000_Similarity": 1.06874, "FDA_Category_X_L1000_Similarity": 0.494512, "FDA_Category_D_and_X_L1000_Similarity": 1.07145, "Placenta_Crossing_L1000_Similarity": 1.19021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(N(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O", "InChI_key": "ZVISIOHMFLGRAA-VBNZEHGJSA-N" } }, "CID:24151277": { "type": "Drug", "properties": { "id": "CID:24151277", "label": "nikkomycin", "lsm": "LSM-4472", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24151277", "FDA_Category_D_L1000_Similarity": 0.424134, "FDA_Category_D_Structural_Similarity": -0.218337, "FDA_Category_D_Weighted_Contribution": -0.0858373, "FDA_Category_D_Top_Rank": -0.0867576, "FDA_Category_X_L1000_Similarity": -0.416492, "FDA_Category_X_Structural_Similarity": 0.47088, "FDA_Category_X_Weighted_Contribution": 0.135291, "FDA_Category_X_Top_Rank": -0.0632673, "FDA_Category_D_and_X_L1000_Similarity": 0.239127, "FDA_Category_D_and_X_Structural_Similarity": 0.080788, "FDA_Category_D_and_X_Weighted_Contribution": 0.0636237, "FDA_Category_D_and_X_Top_Rank": -0.0845508, "Placenta_Crossing_L1000_Similarity": 0.396845, "Placenta_Crossing_Structural_Similarity": -0.317747, "Placenta_Crossing_Weighted_Contribution": -0.237481, "Placenta_Crossing_Top_Rank": -0.0845234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=NC=C(C=C1)O)C(C)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)CC3=O)O)O)C(=O)O)N", "InChI_key": "MUYOCJNYLOJXQK-ZRBNDYFUSA-N" } }, "CID:2438": { "type": "Drug", "properties": { "id": "CID:2438", "label": "brl-54443", "lsm": "LSM-2389", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2438", "FDA_Category_D_L1000_Similarity": 1.76778, "FDA_Category_D_Structural_Similarity": -0.744735, "FDA_Category_D_Weighted_Contribution": 0.162135, "FDA_Category_D_Top_Rank": 0.0628327, "FDA_Category_X_L1000_Similarity": 1.09785, "FDA_Category_X_Structural_Similarity": -0.473803, "FDA_Category_X_Weighted_Contribution": -0.0497858, "FDA_Category_X_Top_Rank": -0.0681363, "FDA_Category_D_and_X_L1000_Similarity": 1.85725, "FDA_Category_D_and_X_Structural_Similarity": -0.846768, "FDA_Category_D_and_X_Weighted_Contribution": 0.044392, "FDA_Category_D_and_X_Top_Rank": 0.0464838, "Placenta_Crossing_L1000_Similarity": 1.37275, "Placenta_Crossing_Structural_Similarity": -0.949704, "Placenta_Crossing_Weighted_Contribution": -0.354074, "Placenta_Crossing_Top_Rank": -0.0507445, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O", "InChI_key": "WKNFADCGOAHBPG-UHFFFAOYSA-N" } }, "CID:244": { "type": "Drug", "properties": { "id": "CID:244", "label": "benzyl alcohol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/244", "FDA_Category_D_L1000_Similarity": -0.138225, "FDA_Category_D_Structural_Similarity": -0.874913, "FDA_Category_D_Weighted_Contribution": -0.865435, "FDA_Category_D_Top_Rank": -0.0933005, "FDA_Category_X_L1000_Similarity": 1.16617, "FDA_Category_X_Structural_Similarity": -0.700908, "FDA_Category_X_Weighted_Contribution": -0.231643, "FDA_Category_X_Top_Rank": -0.0657616, "FDA_Category_D_and_X_L1000_Similarity": 0.234986, "FDA_Category_D_and_X_Structural_Similarity": -1.07264, "FDA_Category_D_and_X_Weighted_Contribution": -0.855924, "FDA_Category_D_and_X_Top_Rank": -0.0898008, "Placenta_Crossing_L1000_Similarity": 0.388026, "Placenta_Crossing_Structural_Similarity": -0.727828, "Placenta_Crossing_Weighted_Contribution": -0.57524, "Placenta_Crossing_Top_Rank": -0.0846004, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CO", "InChI_key": "WVDDGKGOMKODPV-UHFFFAOYSA-N" } }, "CID:2457": { "type": "Drug", "properties": { "id": "CID:2457", "label": "BU-224", "lsm": "LSM-3231", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2457", "FDA_Category_D_L1000_Similarity": 1.60335, "FDA_Category_D_Structural_Similarity": 1.12849, "FDA_Category_D_Weighted_Contribution": 2.0506, "FDA_Category_D_Top_Rank": 0.0145398, "FDA_Category_X_L1000_Similarity": -0.922626, "FDA_Category_X_Structural_Similarity": -0.0202361, "FDA_Category_X_Weighted_Contribution": -0.54751, "FDA_Category_X_Top_Rank": -0.080263, "FDA_Category_D_and_X_L1000_Similarity": 1.10194, "FDA_Category_D_and_X_Structural_Similarity": 0.884775, "FDA_Category_D_and_X_Weighted_Contribution": 1.39361, "FDA_Category_D_and_X_Top_Rank": -0.0590443, "Placenta_Crossing_L1000_Similarity": 0.884664, "Placenta_Crossing_Structural_Similarity": -0.275893, "Placenta_Crossing_Weighted_Contribution": 0.0244439, "Placenta_Crossing_Top_Rank": -0.0740771, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2474": { "type": "Drug", "properties": { "id": "CID:2474", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2474", "label": "bupivacaine", "ref": "LSM-4301", "FDA_Category_D_L1000_Similarity": -0.0371253, "FDA_Category_D_Structural_Similarity": -0.190837, "FDA_Category_D_Weighted_Contribution": -0.302079, "FDA_Category_D_Top_Rank": -0.0892946, "FDA_Category_X_L1000_Similarity": 0.21691, "FDA_Category_X_Structural_Similarity": -0.499241, "FDA_Category_X_Weighted_Contribution": -0.472007, "FDA_Category_X_Top_Rank": -0.0857586, "FDA_Category_D_and_X_L1000_Similarity": 0.0338721, "FDA_Category_D_and_X_Structural_Similarity": -0.420858, "FDA_Category_D_and_X_Weighted_Contribution": -0.470983, "FDA_Category_D_and_X_Top_Rank": -0.091909, "Placenta_Crossing_L1000_Similarity": -0.615744, "Placenta_Crossing_Structural_Similarity": 5.14564, "Placenta_Crossing_Weighted_Contribution": 3.88536, "Placenta_Crossing_Top_Rank": 1.1323, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C", "InChI_key": "LEBVLXFERQHONN-UHFFFAOYSA-N" } }, "CID:24747172": { "type": "Drug", "properties": { "id": "CID:24747172", "label": "psh-022", "lsm": "LSM-4208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747172", "FDA_Category_D_L1000_Similarity": 1.00047, "FDA_Category_D_Structural_Similarity": -0.515074, "FDA_Category_D_Weighted_Contribution": -0.0480679, "FDA_Category_D_Top_Rank": -0.0653031, "FDA_Category_X_L1000_Similarity": 0.370693, "FDA_Category_X_Structural_Similarity": -0.0796289, "FDA_Category_X_Weighted_Contribution": -0.0203549, "FDA_Category_X_Top_Rank": -0.0817093, "FDA_Category_D_and_X_L1000_Similarity": 0.974986, "FDA_Category_D_and_X_Structural_Similarity": -0.451788, "FDA_Category_D_and_X_Weighted_Contribution": -0.0477537, "FDA_Category_D_and_X_Top_Rank": -0.0705114, "Placenta_Crossing_L1000_Similarity": 1.11297, "Placenta_Crossing_Structural_Similarity": -0.612917, "Placenta_Crossing_Weighted_Contribution": -0.177651, "Placenta_Crossing_Top_Rank": -0.0661718, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CC=C4F)C5=CC=CC=C5N2)C", "InChI_key": "RDUPLSWJXORTBB-GOSISDBHSA-N" } }, "CID:24747188": { "type": "Drug", "properties": { "id": "CID:24747188", "label": "JAS07-002", "lsm": "LSM-3606", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747188", "FDA_Category_D_L1000_Similarity": -0.461928, "FDA_Category_D_Structural_Similarity": -0.470459, "FDA_Category_D_Weighted_Contribution": -0.718356, "FDA_Category_D_Top_Rank": -0.0937868, "FDA_Category_X_L1000_Similarity": -0.403648, "FDA_Category_X_Structural_Similarity": -0.629557, "FDA_Category_X_Weighted_Contribution": -0.814474, "FDA_Category_X_Top_Rank": -0.0896965, "FDA_Category_D_and_X_L1000_Similarity": -0.520774, "FDA_Category_D_and_X_Structural_Similarity": -0.713116, "FDA_Category_D_and_X_Weighted_Contribution": -0.896458, "FDA_Category_D_and_X_Top_Rank": -0.0951527, "Placenta_Crossing_L1000_Similarity": -0.350837, "Placenta_Crossing_Structural_Similarity": -1.06869, "Placenta_Crossing_Weighted_Contribution": -1.04789, "Placenta_Crossing_Top_Rank": -0.0902563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24747230": { "type": "Drug", "properties": { "id": "CID:24747230", "label": "UTMB-00042", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747230", "FDA_Category_D_L1000_Similarity": 0.575966, "FDA_Category_D_Structural_Similarity": -0.743578, "FDA_Category_D_Weighted_Contribution": -0.463638, "FDA_Category_D_Top_Rank": -0.0832549, "FDA_Category_X_L1000_Similarity": -0.503405, "FDA_Category_X_Structural_Similarity": -0.349944, "FDA_Category_X_Weighted_Contribution": -0.643099, "FDA_Category_X_Top_Rank": -0.0873748, "FDA_Category_D_and_X_L1000_Similarity": 0.343615, "FDA_Category_D_and_X_Structural_Similarity": -0.779016, "FDA_Category_D_and_X_Weighted_Contribution": -0.611693, "FDA_Category_D_and_X_Top_Rank": -0.0883279, "Placenta_Crossing_L1000_Similarity": 0.51799, "Placenta_Crossing_Structural_Similarity": -0.86456, "Placenta_Crossing_Weighted_Contribution": -0.628257, "Placenta_Crossing_Top_Rank": -0.0826265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24775005": { "type": "Drug", "properties": { "id": "CID:24775005", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24775005", "label": "sonidegib", "FDA_Category_D_L1000_Similarity": -0.941179, "FDA_Category_D_Structural_Similarity": -0.658437, "FDA_Category_D_Weighted_Contribution": -1.02274, "FDA_Category_D_Top_Rank": -0.0955228, "FDA_Category_X_L1000_Similarity": 2.27428, "FDA_Category_X_Structural_Similarity": -0.596008, "FDA_Category_X_Weighted_Contribution": 0.426563, "FDA_Category_X_Top_Rank": 0.0713884, "FDA_Category_D_and_X_L1000_Similarity": -0.120652, "FDA_Category_D_and_X_Structural_Similarity": -0.844214, "FDA_Category_D_and_X_Weighted_Contribution": -0.83719, "FDA_Category_D_and_X_Top_Rank": -0.0931245, "Placenta_Crossing_L1000_Similarity": 0.470061, "Placenta_Crossing_Structural_Similarity": -0.265094, "Placenta_Crossing_Weighted_Contribution": -0.158377, "Placenta_Crossing_Top_Rank": -0.0834339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F", "InChI_key": "VZZJRYRQSPEMTK-CALCHBBNSA-N" } }, "CID:2480": { "type": "Drug", "properties": { "id": "CID:2480", "label": "butacaine", "lsm": "LSM-6030", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2480", "FDA_Category_D_L1000_Similarity": -0.523488, "FDA_Category_D_Structural_Similarity": -0.165371, "FDA_Category_D_Weighted_Contribution": -0.516037, "FDA_Category_D_Top_Rank": -0.08879, "FDA_Category_X_L1000_Similarity": -0.601391, "FDA_Category_X_Structural_Similarity": 0.0397766, "FDA_Category_X_Weighted_Contribution": -0.360708, "FDA_Category_X_Top_Rank": -0.0788189, "FDA_Category_D_and_X_L1000_Similarity": -0.633876, "FDA_Category_D_and_X_Structural_Similarity": -0.109794, "FDA_Category_D_and_X_Weighted_Contribution": -0.520259, "FDA_Category_D_and_X_Top_Rank": -0.0885178, "Placenta_Crossing_L1000_Similarity": 0.0637074, "Placenta_Crossing_Structural_Similarity": 2.83089, "Placenta_Crossing_Weighted_Contribution": 2.74419, "Placenta_Crossing_Top_Rank": 0.153524, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N", "InChI_key": "HQFWVSGBVLEQGA-UHFFFAOYSA-N" } }, "CID:24812758": { "type": "Drug", "properties": { "id": "CID:24812758", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24812758", "label": "canagliflozin", "FDA_Category_D_L1000_Similarity": 0.235885, "FDA_Category_D_Structural_Similarity": 2.94171, "FDA_Category_D_Weighted_Contribution": 2.97698, "FDA_Category_D_Top_Rank": 0.207266, "FDA_Category_X_L1000_Similarity": 0.309241, "FDA_Category_X_Structural_Similarity": -0.500024, "FDA_Category_X_Weighted_Contribution": -0.433524, "FDA_Category_X_Top_Rank": -0.0848365, "FDA_Category_D_and_X_L1000_Similarity": 0.297254, "FDA_Category_D_and_X_Structural_Similarity": 2.06506, "FDA_Category_D_and_X_Weighted_Contribution": 2.14555, "FDA_Category_D_and_X_Top_Rank": 0.0430596, "Placenta_Crossing_L1000_Similarity": 0.0162245, "Placenta_Crossing_Structural_Similarity": 1.38992, "Placenta_Crossing_Weighted_Contribution": 1.2934, "Placenta_Crossing_Top_Rank": -0.0277292, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F", "InChI_key": "XTNGUQKDFGDXSJ-ZXGKGEBGSA-N" } }, "CID:24831714": { "type": "Drug", "properties": { "id": "CID:24831714", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24831714", "label": "sotagliflozin", "FDA_Category_D_L1000_Similarity": -0.0874213, "FDA_Category_D_Structural_Similarity": 4.39434, "FDA_Category_D_Weighted_Contribution": 3.75172, "FDA_Category_D_Top_Rank": 0.766924, "FDA_Category_X_L1000_Similarity": 0.0258483, "FDA_Category_X_Structural_Similarity": 0.86258, "FDA_Category_X_Weighted_Contribution": 0.791779, "FDA_Category_X_Top_Rank": -0.046885, "FDA_Category_D_and_X_L1000_Similarity": -0.0675108, "FDA_Category_D_and_X_Structural_Similarity": 3.95329, "FDA_Category_D_and_X_Weighted_Contribution": 3.44308, "FDA_Category_D_and_X_Top_Rank": 0.683509, "Placenta_Crossing_L1000_Similarity": 0.106928, "Placenta_Crossing_Structural_Similarity": 1.90394, "Placenta_Crossing_Weighted_Contribution": 1.88864, "Placenta_Crossing_Top_Rank": 0.0217355, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)Cl", "InChI_key": "QKDRXGFQVGOQKS-CRSSMBPESA-N" } }, "CID:24856237": { "type": "Drug", "properties": { "id": "CID:24856237", "label": "fu-jmbii105b", "lsm": "LSM-2559", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24856237", "FDA_Category_D_L1000_Similarity": -0.558467, "FDA_Category_D_Structural_Similarity": -0.0787301, "FDA_Category_D_Weighted_Contribution": -0.463201, "FDA_Category_D_Top_Rank": -0.0870285, "FDA_Category_X_L1000_Similarity": 1.64422, "FDA_Category_X_Structural_Similarity": -0.0873295, "FDA_Category_X_Weighted_Contribution": 0.63644, "FDA_Category_X_Top_Rank": -0.0358858, "FDA_Category_D_and_X_L1000_Similarity": 0.0179179, "FDA_Category_D_and_X_Structural_Similarity": -0.109612, "FDA_Category_D_and_X_Weighted_Contribution": -0.220811, "FDA_Category_D_and_X_Top_Rank": -0.0885104, "Placenta_Crossing_L1000_Similarity": -0.812515, "Placenta_Crossing_Structural_Similarity": -0.270641, "Placenta_Crossing_Weighted_Contribution": -0.687254, "Placenta_Crossing_Top_Rank": -0.0870264, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=C(C=C2)OC", "InChI_key": "MFCNPPLTGGUOKM-INIZCTEOSA-N" } }, "CID:24868317": { "type": "Drug", "properties": { "id": "CID:24868317", "label": "ucl-2077", "lsm": "LSM-3106", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24868317", "FDA_Category_D_L1000_Similarity": 0.757666, "FDA_Category_D_Structural_Similarity": -0.463655, "FDA_Category_D_Weighted_Contribution": -0.131629, "FDA_Category_D_Top_Rank": -0.0775189, "FDA_Category_X_L1000_Similarity": 0.526418, "FDA_Category_X_Structural_Similarity": -0.761789, "FDA_Category_X_Weighted_Contribution": -0.560864, "FDA_Category_X_Top_Rank": -0.0821756, "FDA_Category_D_and_X_L1000_Similarity": 0.812979, "FDA_Category_D_and_X_Structural_Similarity": -0.779068, "FDA_Category_D_and_X_Weighted_Contribution": -0.408307, "FDA_Category_D_and_X_Top_Rank": -0.0772834, "Placenta_Crossing_L1000_Similarity": 0.767432, "Placenta_Crossing_Structural_Similarity": -0.839581, "Placenta_Crossing_Weighted_Contribution": -0.513109, "Placenta_Crossing_Top_Rank": -0.0772651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC4=CN=CC=C4", "InChI_key": "PQFNWDHABGBCHB-UHFFFAOYSA-N" } }, "CID:24871506": { "type": "Drug", "properties": { "id": "CID:24871506", "label": "apabetalone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24871506", "FDA_Category_D_L1000_Similarity": 0.656764, "FDA_Category_D_Structural_Similarity": -0.779795, "FDA_Category_D_Weighted_Contribution": -0.454659, "FDA_Category_D_Top_Rank": -0.081003, "FDA_Category_X_L1000_Similarity": 0.722118, "FDA_Category_X_Structural_Similarity": -0.574403, "FDA_Category_X_Weighted_Contribution": -0.318165, "FDA_Category_X_Top_Rank": -0.0787238, "FDA_Category_D_and_X_L1000_Similarity": 0.785433, "FDA_Category_D_and_X_Structural_Similarity": -0.92888, "FDA_Category_D_and_X_Weighted_Contribution": -0.538266, "FDA_Category_D_and_X_Top_Rank": -0.0782831, "Placenta_Crossing_L1000_Similarity": 0.623834, "Placenta_Crossing_Structural_Similarity": -0.958489, "Placenta_Crossing_Weighted_Contribution": -0.657769, "Placenta_Crossing_Top_Rank": -0.080526, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1OCCO)C)C2=NC(=O)C3=C(N2)C=C(C=C3OC)OC", "InChI_key": "NETXMUIMUZJUTB-UHFFFAOYSA-N" } }, "CID:24889392": { "type": "Drug", "properties": { "id": "CID:24889392", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24889392", "label": "quizartinib", "FDA_Category_D_L1000_Similarity": 0.641053, "FDA_Category_D_Structural_Similarity": 3.97563, "FDA_Category_D_Weighted_Contribution": 3.75527, "FDA_Category_D_Top_Rank": 0.521038, "FDA_Category_X_L1000_Similarity": 1.01124, "FDA_Category_X_Structural_Similarity": 0.990312, "FDA_Category_X_Weighted_Contribution": 1.49665, "FDA_Category_X_Top_Rank": -0.0413935, "FDA_Category_D_and_X_L1000_Similarity": 0.85968, "FDA_Category_D_and_X_Structural_Similarity": 3.68988, "FDA_Category_D_and_X_Weighted_Contribution": 3.57539, "FDA_Category_D_and_X_Top_Rank": 0.514358, "Placenta_Crossing_L1000_Similarity": 0.513991, "Placenta_Crossing_Structural_Similarity": 0.774407, "Placenta_Crossing_Weighted_Contribution": 0.901743, "Placenta_Crossing_Top_Rank": -0.0603276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3", "InChI_key": "CVWXJKQAOSCOAB-UHFFFAOYSA-N" } }, "CID:24901704": { "type": "Drug", "properties": { "id": "CID:24901704", "label": "mgcd-265", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24901704", "FDA_Category_D_L1000_Similarity": 0.315108, "FDA_Category_D_Structural_Similarity": 2.29556, "FDA_Category_D_Weighted_Contribution": 2.45763, "FDA_Category_D_Top_Rank": 0.101953, "FDA_Category_X_L1000_Similarity": 0.391661, "FDA_Category_X_Structural_Similarity": -0.605464, "FDA_Category_X_Weighted_Contribution": -0.487744, "FDA_Category_X_Top_Rank": -0.0838744, "FDA_Category_D_and_X_L1000_Similarity": 0.390569, "FDA_Category_D_and_X_Structural_Similarity": 1.49531, "FDA_Category_D_and_X_Weighted_Contribution": 1.61821, "FDA_Category_D_and_X_Top_Rank": -0.0155151, "Placenta_Crossing_L1000_Similarity": 0.142082, "Placenta_Crossing_Structural_Similarity": 0.759298, "Placenta_Crossing_Weighted_Contribution": 0.684954, "Placenta_Crossing_Top_Rank": -0.0610085, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F", "InChI_key": "UFICVEHDQUKCEA-UHFFFAOYSA-N" } }, "CID:24989044": { "type": "Drug", "properties": { "id": "CID:24989044", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24989044", "label": "copanlisib", "FDA_Category_D_L1000_Similarity": 0.318063, "FDA_Category_D_Structural_Similarity": -0.565535, "FDA_Category_D_Weighted_Contribution": -0.441717, "FDA_Category_D_Top_Rank": -0.0885847, "FDA_Category_X_L1000_Similarity": 0.282927, "FDA_Category_X_Structural_Similarity": 0.39848, "FDA_Category_X_Weighted_Contribution": 0.424432, "FDA_Category_X_Top_Rank": -0.065838, "FDA_Category_D_and_X_L1000_Similarity": 0.360091, "FDA_Category_D_and_X_Structural_Similarity": -0.233855, "FDA_Category_D_and_X_Weighted_Contribution": -0.161682, "FDA_Category_D_and_X_Top_Rank": -0.0880787, "Placenta_Crossing_L1000_Similarity": 0.711694, "Placenta_Crossing_Structural_Similarity": -0.482251, "Placenta_Crossing_Weighted_Contribution": -0.241632, "Placenta_Crossing_Top_Rank": -0.0786645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC2=C1N=C(N3C2=NCC3)NC(=O)C4=CN=C(N=C4)N)OCCCN5CCOCC5", "InChI_key": "PZBCKZWLPGJMAO-UHFFFAOYSA-N" } }, "CID:24996872": { "type": "Drug", "properties": { "id": "CID:24996872", "label": "gsk-1292263", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24996872", "FDA_Category_D_L1000_Similarity": 1.45969, "FDA_Category_D_Structural_Similarity": -0.273577, "FDA_Category_D_Weighted_Contribution": 0.455629, "FDA_Category_D_Top_Rank": -0.0167803, "FDA_Category_X_L1000_Similarity": 1.36933, "FDA_Category_X_Structural_Similarity": -0.173174, "FDA_Category_X_Weighted_Contribution": 0.394562, "FDA_Category_X_Top_Rank": -0.0550879, "FDA_Category_D_and_X_L1000_Similarity": 1.67413, "FDA_Category_D_and_X_Structural_Similarity": -0.310586, "FDA_Category_D_and_X_Weighted_Contribution": 0.469145, "FDA_Category_D_and_X_Top_Rank": 0.00408069, "Placenta_Crossing_L1000_Similarity": 0.500749, "Placenta_Crossing_Structural_Similarity": 0.36137, "Placenta_Crossing_Weighted_Contribution": 0.460274, "Placenta_Crossing_Top_Rank": -0.0735784, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C", "InChI_key": "AYJRTVVIBJSSKN-UHFFFAOYSA-N" } }, "CID:25025298": { "type": "Drug", "properties": { "id": "CID:25025298", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25025298", "label": "telotristat", "FDA_Category_D_L1000_Similarity": 0.759123, "FDA_Category_D_Structural_Similarity": 1.90888, "FDA_Category_D_Weighted_Contribution": 2.33649, "FDA_Category_D_Top_Rank": 0.0342455, "FDA_Category_X_L1000_Similarity": 1.30326, "FDA_Category_X_Structural_Similarity": 1.08154, "FDA_Category_X_Weighted_Contribution": 1.76481, "FDA_Category_X_Top_Rank": -0.0367275, "FDA_Category_D_and_X_L1000_Similarity": 1.05015, "FDA_Category_D_and_X_Structural_Similarity": 2.0987, "FDA_Category_D_and_X_Weighted_Contribution": 2.56862, "FDA_Category_D_and_X_Top_Rank": 0.0464838, "Placenta_Crossing_L1000_Similarity": 0.104897, "Placenta_Crossing_Structural_Similarity": 1.78458, "Placenta_Crossing_Weighted_Contribution": 1.76323, "Placenta_Crossing_Top_Rank": 0.00868529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN(C=C1)C2=C(C=CC(=C2)Cl)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N", "InChI_key": "NCLGDOBQAWBXRA-PGRDOPGGSA-N" } }, "CID:25099184": { "type": "Drug", "properties": { "id": "CID:25099184", "label": "AZ-960", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25099184", "FDA_Category_D_L1000_Similarity": -1.83748, "FDA_Category_X_L1000_Similarity": 0.175682, "FDA_Category_D_and_X_L1000_Similarity": -1.53059, "Placenta_Crossing_L1000_Similarity": -2.14657, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25105713": { "type": "Drug", "properties": { "id": "CID:25105713", "label": "VU-0155069", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25105713", "FDA_Category_D_L1000_Similarity": -0.750196, "FDA_Category_D_Structural_Similarity": -0.309499, "FDA_Category_D_Weighted_Contribution": -0.723952, "FDA_Category_D_Top_Rank": -0.0915519, "FDA_Category_X_L1000_Similarity": 1.87631, "FDA_Category_X_Structural_Similarity": -0.614838, "FDA_Category_X_Weighted_Contribution": 0.198082, "FDA_Category_X_Top_Rank": -0.00955687, "FDA_Category_D_and_X_L1000_Similarity": -0.0768826, "FDA_Category_D_and_X_Structural_Similarity": -0.577417, "FDA_Category_D_and_X_Weighted_Contribution": -0.636693, "FDA_Category_D_and_X_Top_Rank": -0.0928126, "Placenta_Crossing_L1000_Similarity": -1.25932, "Placenta_Crossing_Structural_Similarity": -0.550051, "Placenta_Crossing_Weighted_Contribution": -1.01487, "Placenta_Crossing_Top_Rank": -0.0901429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25109985": { "type": "Drug", "properties": { "id": "CID:25109985", "label": "sjb-shh-31", "lsm": "LSM-4795", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25109985", "FDA_Category_D_L1000_Similarity": 1.35185, "FDA_Category_D_Structural_Similarity": -0.613829, "FDA_Category_D_Weighted_Contribution": 0.0529746, "FDA_Category_D_Top_Rank": -0.031531, "FDA_Category_X_L1000_Similarity": 2.51698, "FDA_Category_X_Structural_Similarity": -0.526222, "FDA_Category_X_Weighted_Contribution": 0.634062, "FDA_Category_X_Top_Rank": 0.165106, "FDA_Category_D_and_X_L1000_Similarity": 1.92968, "FDA_Category_D_and_X_Structural_Similarity": -0.771152, "FDA_Category_D_and_X_Weighted_Contribution": 0.154676, "FDA_Category_D_and_X_Top_Rank": 0.0668337, "Placenta_Crossing_L1000_Similarity": 1.6011, "Placenta_Crossing_Structural_Similarity": -0.863189, "Placenta_Crossing_Weighted_Contribution": -0.179993, "Placenta_Crossing_Top_Rank": -0.0283677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)OC(CNC(=O)C(CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3", "InChI_key": "DRDSZZCLAHXSAE-BQIDRLATSA-N" } }, "CID:25117126": { "type": "Drug", "properties": { "id": "CID:25117126", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25117126", "label": "defactinib", "FDA_Category_D_L1000_Similarity": -1.67405, "FDA_Category_D_Structural_Similarity": 0.487677, "FDA_Category_D_Weighted_Contribution": -0.532322, "FDA_Category_D_Top_Rank": -0.0714758, "FDA_Category_X_L1000_Similarity": -0.964008, "FDA_Category_X_Structural_Similarity": 0.419634, "FDA_Category_X_Weighted_Contribution": -0.181173, "FDA_Category_X_Top_Rank": -0.0650178, "FDA_Category_D_and_X_L1000_Similarity": -1.73581, "FDA_Category_D_and_X_Structural_Similarity": 0.613508, "FDA_Category_D_and_X_Weighted_Contribution": -0.437395, "FDA_Category_D_and_X_Top_Rank": -0.0703633, "Placenta_Crossing_L1000_Similarity": -0.453429, "Placenta_Crossing_Structural_Similarity": -0.400287, "Placenta_Crossing_Weighted_Contribution": -0.649234, "Placenta_Crossing_Top_Rank": -0.0887168, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F", "InChI_key": "FWLMVFUGMHIOAA-UHFFFAOYSA-N" } }, "CID:25134326": { "type": "Drug", "properties": { "id": "CID:25134326", "label": "asp-3026", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25134326", "FDA_Category_D_L1000_Similarity": -1.15149, "FDA_Category_D_Structural_Similarity": 0.504589, "FDA_Category_D_Weighted_Contribution": -0.26497, "FDA_Category_D_Top_Rank": -0.0707802, "FDA_Category_X_L1000_Similarity": 0.668609, "FDA_Category_X_Structural_Similarity": 0.0479905, "FDA_Category_X_Weighted_Contribution": 0.258449, "FDA_Category_X_Top_Rank": -0.0786415, "FDA_Category_D_and_X_L1000_Similarity": -0.789558, "FDA_Category_D_and_X_Structural_Similarity": 0.426394, "FDA_Category_D_and_X_Weighted_Contribution": -0.147697, "FDA_Category_D_and_X_Top_Rank": -0.0760987, "Placenta_Crossing_L1000_Similarity": -0.365273, "Placenta_Crossing_Structural_Similarity": 0.136037, "Placenta_Crossing_Weighted_Contribution": -0.178512, "Placenta_Crossing_Top_Rank": -0.0792128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC", "InChI_key": "MGGBYMDAPCCKCT-UHFFFAOYSA-N" } }, "CID:25150857": { "type": "Drug", "properties": { "id": "CID:25150857", "label": "bix-01294", "lsm": "LSM-4571", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25150857", "FDA_Category_D_L1000_Similarity": -0.634031, "FDA_Category_D_Structural_Similarity": 1.22763, "FDA_Category_D_Weighted_Contribution": 0.745891, "FDA_Category_D_Top_Rank": -0.0387553, "FDA_Category_X_L1000_Similarity": 1.93772, "FDA_Category_X_Structural_Similarity": -0.336147, "FDA_Category_X_Weighted_Contribution": 0.525055, "FDA_Category_X_Top_Rank": 0.000929049, "FDA_Category_D_and_X_L1000_Similarity": 0.0418926, "FDA_Category_D_and_X_Structural_Similarity": 0.793001, "FDA_Category_D_and_X_Weighted_Contribution": 0.663621, "FDA_Category_D_and_X_Top_Rank": -0.0634987, "Placenta_Crossing_L1000_Similarity": -1.1491, "Placenta_Crossing_Structural_Similarity": 1.26172, "Placenta_Crossing_Weighted_Contribution": 0.525536, "Placenta_Crossing_Top_Rank": -0.0355824, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC", "InChI_key": "OSXFATOLZGZLSK-UHFFFAOYSA-N" } }, "CID:2519": { "type": "Drug", "properties": { "id": "CID:2519", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2519", "label": "caffeine", "ref": "LSM-2026", "FDA_Category_D_L1000_Similarity": 0.917735, "FDA_Category_D_Structural_Similarity": -0.511713, "FDA_Category_D_Weighted_Contribution": -0.089828, "FDA_Category_D_Top_Rank": -0.070523, "FDA_Category_X_L1000_Similarity": 1.56816, "FDA_Category_X_Structural_Similarity": 0.242372, "FDA_Category_X_Weighted_Contribution": 0.962242, "FDA_Category_X_Top_Rank": -0.0422656, "FDA_Category_D_and_X_L1000_Similarity": 1.26732, "FDA_Category_D_and_X_Structural_Similarity": -0.275371, "FDA_Category_D_and_X_Weighted_Contribution": 0.275872, "FDA_Category_D_and_X_Top_Rank": -0.0498287, "Placenta_Crossing_L1000_Similarity": 1.58052, "Placenta_Crossing_Structural_Similarity": 0.493701, "Placenta_Crossing_Weighted_Contribution": 1.18242, "Placenta_Crossing_Top_Rank": -0.0308942, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CN1C=NC2=C1C(=O)N(C(=O)N2C)C", "InChI_key": "RYYVLZVUVIJVGH-UHFFFAOYSA-N" } }, "CID:25226380": { "type": "Drug", "properties": { "id": "CID:25226380", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25226380", "label": "enobosarm", "FDA_Category_D_L1000_Similarity": -0.383085, "FDA_Category_D_Structural_Similarity": -0.804304, "FDA_Category_D_Weighted_Contribution": -0.912346, "FDA_Category_D_Top_Rank": -0.094637, "FDA_Category_X_L1000_Similarity": 0.949161, "FDA_Category_X_Structural_Similarity": 0.336532, "FDA_Category_X_Weighted_Contribution": 0.720481, "FDA_Category_X_Top_Rank": -0.0682345, "FDA_Category_D_and_X_L1000_Similarity": -0.0419715, "FDA_Category_D_and_X_Structural_Similarity": -0.456795, "FDA_Category_D_and_X_Weighted_Contribution": -0.531938, "FDA_Category_D_and_X_Top_Rank": -0.0925499, "Placenta_Crossing_L1000_Similarity": 0.604765, "Placenta_Crossing_Structural_Similarity": -0.422251, "Placenta_Crossing_Weighted_Contribution": -0.236632, "Placenta_Crossing_Top_Rank": -0.080904, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O", "InChI_key": "JNGVJMBLXIUVRD-GOSISDBHSA-N" } }, "CID:25257557": { "type": "Drug", "properties": { "id": "CID:25257557", "label": "CX-5461", "lsm": "LSM-6342", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25257557", "FDA_Category_D_L1000_Similarity": -0.0150753, "FDA_Category_D_Structural_Similarity": -0.698839, "FDA_Category_D_Weighted_Contribution": -0.694419, "FDA_Category_D_Top_Rank": -0.092299, "FDA_Category_X_L1000_Similarity": -1.4976, "FDA_Category_X_Structural_Similarity": -0.635589, "FDA_Category_X_Weighted_Contribution": -1.1654, "FDA_Category_X_Top_Rank": -0.0914297, "FDA_Category_D_and_X_L1000_Similarity": -0.467787, "FDA_Category_D_and_X_Structural_Similarity": -0.897639, "FDA_Category_D_and_X_Weighted_Contribution": -0.989789, "FDA_Category_D_and_X_Top_Rank": -0.0949491, "Placenta_Crossing_L1000_Similarity": -1.19061, "Placenta_Crossing_Structural_Similarity": -0.645495, "Placenta_Crossing_Weighted_Contribution": -1.04948, "Placenta_Crossing_Top_Rank": -0.0908789, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2540": { "type": "Drug", "properties": { "id": "CID:2540", "label": "candesartan cilexetil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2540", "FDA_Category_D_L1000_Similarity": 0.534629, "FDA_Category_D_Structural_Similarity": 4.34659, "FDA_Category_D_Weighted_Contribution": 3.88354, "FDA_Category_D_Top_Rank": 0.753938, "FDA_Category_X_L1000_Similarity": -0.298954, "FDA_Category_X_Structural_Similarity": -0.175295, "FDA_Category_X_Weighted_Contribution": -0.416062, "FDA_Category_X_Top_Rank": -0.0840373, "FDA_Category_D_and_X_L1000_Similarity": 0.370079, "FDA_Category_D_and_X_Structural_Similarity": 3.35536, "FDA_Category_D_and_X_Weighted_Contribution": 3.2336, "FDA_Category_D_and_X_Top_Rank": 0.319151, "Placenta_Crossing_L1000_Similarity": 0.614611, "Placenta_Crossing_Structural_Similarity": 0.618411, "Placenta_Crossing_Weighted_Contribution": 0.78963, "Placenta_Crossing_Top_Rank": -0.0660568, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6", "InChI_key": "GHOSNRCGJFBJIB-UHFFFAOYSA-N" } }, "CID:2566": { "type": "Drug", "properties": { "id": "CID:2566", "label": "carbofuran", "lsm": "LSM-3186", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2566", "FDA_Category_D_L1000_Similarity": 0.719213, "FDA_Category_D_Structural_Similarity": -0.747451, "FDA_Category_D_Weighted_Contribution": -0.398144, "FDA_Category_D_Top_Rank": -0.079004, "FDA_Category_X_L1000_Similarity": -0.397127, "FDA_Category_X_Structural_Similarity": 0.130365, "FDA_Category_X_Weighted_Contribution": -0.186386, "FDA_Category_X_Top_Rank": -0.0760478, "FDA_Category_D_and_X_L1000_Similarity": 0.499372, "FDA_Category_D_and_X_Structural_Similarity": -0.522918, "FDA_Category_D_and_X_Weighted_Contribution": -0.342481, "FDA_Category_D_and_X_Top_Rank": -0.0856383, "Placenta_Crossing_L1000_Similarity": 0.929858, "Placenta_Crossing_Structural_Similarity": 1.13117, "Placenta_Crossing_Weighted_Contribution": 1.51388, "Placenta_Crossing_Top_Rank": -0.0438514, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C", "InChI_key": "DUEPRVBVGDRKAG-UHFFFAOYSA-N" } }, "CID:2583": { "type": "Drug", "properties": { "id": "CID:2583", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2583", "label": "carteolol", "FDA_Category_D_L1000_Similarity": 1.12128, "FDA_Category_D_Structural_Similarity": -0.117642, "FDA_Category_D_Weighted_Contribution": 0.412047, "FDA_Category_D_Top_Rank": -0.0562934, "FDA_Category_X_L1000_Similarity": -0.154911, "FDA_Category_X_Structural_Similarity": 0.688136, "FDA_Category_X_Weighted_Contribution": 0.500281, "FDA_Category_X_Top_Rank": -0.0545382, "FDA_Category_D_and_X_L1000_Similarity": 0.919514, "FDA_Category_D_and_X_Structural_Similarity": 0.277942, "FDA_Category_D_and_X_Weighted_Contribution": 0.639565, "FDA_Category_D_and_X_Top_Rank": -0.0732153, "Placenta_Crossing_L1000_Similarity": 0.898337, "Placenta_Crossing_Structural_Similarity": 0.906977, "Placenta_Crossing_Weighted_Contribution": 1.25509, "Placenta_Crossing_Top_Rank": -0.0546937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O", "InChI_key": "LWAFSWPYPHEXKX-UHFFFAOYSA-N" } }, "CID:26533": { "type": "Drug", "properties": { "id": "CID:26533", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26533", "label": "tiletamine", "FDA_Category_D_L1000_Similarity": -0.0507707, "FDA_Category_D_Structural_Similarity": -0.0845563, "FDA_Category_D_Weighted_Contribution": -0.216285, "FDA_Category_D_Top_Rank": -0.0871939, "FDA_Category_X_L1000_Similarity": 0.349189, "FDA_Category_X_Structural_Similarity": -0.250474, "FDA_Category_X_Weighted_Contribution": -0.193242, "FDA_Category_X_Top_Rank": -0.0844031, "FDA_Category_D_and_X_L1000_Similarity": 0.0622799, "FDA_Category_D_and_X_Structural_Similarity": -0.202268, "FDA_Category_D_and_X_Weighted_Contribution": -0.278978, "FDA_Category_D_and_X_Top_Rank": -0.0902777, "Placenta_Crossing_L1000_Similarity": -0.0336178, "Placenta_Crossing_Structural_Similarity": -0.544978, "Placenta_Crossing_Weighted_Contribution": -0.598663, "Placenta_Crossing_Top_Rank": -0.0885697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC1(CCCCC1=O)C2=CC=CS2", "InChI_key": "QAXBVGVYDCAVLV-UHFFFAOYSA-N" } }, "CID:2703": { "type": "Drug", "properties": { "id": "CID:2703", "label": "chelerythrine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2703", "FDA_Category_D_L1000_Similarity": 0.315323, "FDA_Category_D_Structural_Similarity": 0.0576299, "FDA_Category_D_Weighted_Contribution": 0.11512, "FDA_Category_D_Top_Rank": -0.0837514, "FDA_Category_X_L1000_Similarity": 1.28531, "FDA_Category_X_Structural_Similarity": -0.0699489, "FDA_Category_X_Weighted_Contribution": 0.45998, "FDA_Category_X_Top_Rank": -0.0601705, "FDA_Category_D_and_X_L1000_Similarity": 0.662138, "FDA_Category_D_and_X_Structural_Similarity": 0.00799742, "FDA_Category_D_and_X_Weighted_Contribution": 0.221097, "FDA_Category_D_and_X_Top_Rank": -0.0821104, "Placenta_Crossing_L1000_Similarity": 0.431484, "Placenta_Crossing_Structural_Similarity": 0.28587, "Placenta_Crossing_Weighted_Contribution": 0.347856, "Placenta_Crossing_Top_Rank": -0.0753821, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2708": { "type": "Drug", "properties": { "id": "CID:2708", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2708", "label": "chlorambucil", "FDA_Category_D_L1000_Similarity": 1.3218, "FDA_Category_D_Structural_Similarity": 2.45077, "FDA_Category_D_Weighted_Contribution": 3.08794, "FDA_Category_D_Top_Rank": 0.125648, "FDA_Category_X_L1000_Similarity": -0.839867, "FDA_Category_X_Structural_Similarity": -0.599623, "FDA_Category_X_Weighted_Contribution": -0.943583, "FDA_Category_X_Top_Rank": -0.090966, "FDA_Category_D_and_X_L1000_Similarity": 0.884366, "FDA_Category_D_and_X_Structural_Similarity": 1.62166, "FDA_Category_D_and_X_Weighted_Contribution": 2.03265, "FDA_Category_D_and_X_Top_Rank": -0.00387495, "Placenta_Crossing_L1000_Similarity": 0.541804, "Placenta_Crossing_Structural_Similarity": 3.23813, "Placenta_Crossing_Weighted_Contribution": 3.23204, "Placenta_Crossing_Top_Rank": 0.267537, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl", "InChI_key": "JCKYGMPEJWAADB-UHFFFAOYSA-N" } }, "CID:2717": { "type": "Drug", "properties": { "id": "CID:2717", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2717", "label": "chlormezanone", "FDA_Category_D_L1000_Similarity": -0.00776903, "FDA_Category_D_Structural_Similarity": -0.836257, "FDA_Category_D_Weighted_Contribution": -0.788293, "FDA_Category_D_Top_Rank": -0.0922332, "FDA_Category_X_L1000_Similarity": 1.03011, "FDA_Category_X_Structural_Similarity": -0.0771527, "FDA_Category_X_Weighted_Contribution": 0.316655, "FDA_Category_X_Top_Rank": -0.0705084, "FDA_Category_D_and_X_L1000_Similarity": 0.30612, "FDA_Category_D_and_X_Structural_Similarity": -0.705379, "FDA_Category_D_and_X_Weighted_Contribution": -0.572514, "FDA_Category_D_and_X_Top_Rank": -0.0888446, "Placenta_Crossing_L1000_Similarity": 1.49543, "Placenta_Crossing_Structural_Similarity": -0.917915, "Placenta_Crossing_Weighted_Contribution": -0.274502, "Placenta_Crossing_Top_Rank": -0.0402276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl", "InChI_key": "WEQAYVWKMWHEJO-UHFFFAOYSA-N" } }, "CID:2725417": { "type": "Drug", "properties": { "id": "CID:2725417", "label": "rdr-01440sc", "lsm": "LSM-4904", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2725417", "FDA_Category_D_L1000_Similarity": 0.241323, "FDA_Category_D_Structural_Similarity": 0.50097, "FDA_Category_D_Weighted_Contribution": 0.51917, "FDA_Category_D_Top_Rank": -0.0709615, "FDA_Category_X_L1000_Similarity": -0.695873, "FDA_Category_X_Structural_Similarity": 0.268883, "FDA_Category_X_Weighted_Contribution": -0.196581, "FDA_Category_X_Top_Rank": -0.0709732, "FDA_Category_D_and_X_L1000_Similarity": -0.00330688, "FDA_Category_D_and_X_Structural_Similarity": 0.542715, "FDA_Category_D_and_X_Weighted_Contribution": 0.381156, "FDA_Category_D_and_X_Top_Rank": -0.0726469, "Placenta_Crossing_L1000_Similarity": 1.03062, "Placenta_Crossing_Structural_Similarity": 0.428018, "Placenta_Crossing_Weighted_Contribution": 0.811622, "Placenta_Crossing_Top_Rank": -0.0693855, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)O", "InChI_key": "IQLZFDMBGRRLGC-UHFFFAOYSA-N" } }, "CID:2733": { "type": "Drug", "properties": { "id": "CID:2733", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2733", "label": "chlorzoxazone", "FDA_Category_D_L1000_Similarity": -0.464134, "FDA_Category_D_Structural_Similarity": -0.877093, "FDA_Category_D_Weighted_Contribution": -0.986691, "FDA_Category_D_Top_Rank": -0.0950048, "FDA_Category_X_L1000_Similarity": -0.604895, "FDA_Category_X_Structural_Similarity": -0.694986, "FDA_Category_X_Weighted_Contribution": -0.928883, "FDA_Category_X_Top_Rank": -0.0903724, "FDA_Category_D_and_X_L1000_Similarity": -0.583785, "FDA_Category_D_and_X_Structural_Similarity": -1.07117, "FDA_Category_D_and_X_Weighted_Contribution": -1.12141, "FDA_Category_D_and_X_Top_Rank": -0.0953545, "Placenta_Crossing_L1000_Similarity": -0.0853089, "Placenta_Crossing_Structural_Similarity": -1.03064, "Placenta_Crossing_Weighted_Contribution": -0.946507, "Placenta_Crossing_Top_Rank": -0.0888992, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1Cl)NC(=O)O2", "InChI_key": "TZFWDZFKRBELIQ-UHFFFAOYSA-N" } }, "CID:2735313": { "type": "Drug", "properties": { "id": "CID:2735313", "label": "A-7", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2735313", "FDA_Category_D_L1000_Similarity": 0.0130454, "FDA_Category_D_Structural_Similarity": -0.584196, "FDA_Category_D_Weighted_Contribution": -0.597129, "FDA_Category_D_Top_Rank": -0.0920801, "FDA_Category_X_L1000_Similarity": 0.965209, "FDA_Category_X_Structural_Similarity": -0.503907, "FDA_Category_X_Weighted_Contribution": -0.141947, "FDA_Category_X_Top_Rank": -0.0724111, "FDA_Category_D_and_X_L1000_Similarity": 0.304366, "FDA_Category_D_and_X_Structural_Similarity": -0.73559, "FDA_Category_D_and_X_Weighted_Contribution": -0.595832, "FDA_Category_D_and_X_Top_Rank": -0.0888587, "Placenta_Crossing_L1000_Similarity": 0.685419, "Placenta_Crossing_Structural_Similarity": -0.565411, "Placenta_Crossing_Weighted_Contribution": -0.324215, "Placenta_Crossing_Top_Rank": -0.0792532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2747117": { "type": "Drug", "properties": { "id": "CID:2747117", "label": "bi-78d3", "lsm": "LSM-5817", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2747117", "FDA_Category_D_L1000_Similarity": 0.572217, "FDA_Category_D_Structural_Similarity": -0.244702, "FDA_Category_D_Weighted_Contribution": -0.0297657, "FDA_Category_D_Top_Rank": -0.0834187, "FDA_Category_X_L1000_Similarity": -1.83269, "FDA_Category_X_Structural_Similarity": -0.548407, "FDA_Category_X_Weighted_Contribution": -1.20945, "FDA_Category_X_Top_Rank": -0.0904616, "FDA_Category_D_and_X_L1000_Similarity": -0.063299, "FDA_Category_D_and_X_Structural_Similarity": -0.490141, "FDA_Category_D_and_X_Weighted_Contribution": -0.566375, "FDA_Category_D_and_X_Top_Rank": -0.0927327, "Placenta_Crossing_L1000_Similarity": -0.158938, "Placenta_Crossing_Structural_Similarity": -0.330215, "Placenta_Crossing_Weighted_Contribution": -0.482126, "Placenta_Crossing_Top_Rank": -0.0878989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-]", "InChI_key": "QFRLDZGQEZCCJZ-UHFFFAOYSA-N" } }, "CID:2749": { "type": "Drug", "properties": { "id": "CID:2749", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2749", "label": "ciclopirox", "FDA_Category_D_L1000_Similarity": -0.744708, "FDA_Category_D_Structural_Similarity": -0.771616, "FDA_Category_D_Weighted_Contribution": -1.02164, "FDA_Category_D_Top_Rank": -0.0958332, "FDA_Category_X_L1000_Similarity": -0.653007, "FDA_Category_X_Structural_Similarity": -0.584982, "FDA_Category_X_Weighted_Contribution": -0.870701, "FDA_Category_X_Top_Rank": -0.0905203, "FDA_Category_D_and_X_L1000_Similarity": -0.840261, "FDA_Category_D_and_X_Structural_Similarity": -0.928096, "FDA_Category_D_and_X_Weighted_Contribution": -1.12177, "FDA_Category_D_and_X_Top_Rank": -0.0959797, "Placenta_Crossing_L1000_Similarity": -1.76873, "Placenta_Crossing_Structural_Similarity": -1.03647, "Placenta_Crossing_Weighted_Contribution": -1.37778, "Placenta_Crossing_Top_Rank": -0.0923243, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)N(C(=C1)C2CCCCC2)O", "InChI_key": "SCKYRAXSEDYPSA-UHFFFAOYSA-N" } }, "CID:2750": { "type": "Drug", "properties": { "id": "CID:2750", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2750", "label": "ciglitazone", "FDA_Category_D_L1000_Similarity": 0.23274, "FDA_Category_D_Structural_Similarity": -0.562475, "FDA_Category_D_Weighted_Contribution": -0.479643, "FDA_Category_D_Top_Rank": -0.0897773, "FDA_Category_X_L1000_Similarity": 0.0900136, "FDA_Category_X_Structural_Similarity": 0.0966727, "FDA_Category_X_Weighted_Contribution": 0.0147581, "FDA_Category_X_Top_Rank": -0.0772139, "FDA_Category_D_and_X_L1000_Similarity": 0.227961, "FDA_Category_D_and_X_Structural_Similarity": -0.39428, "FDA_Category_D_and_X_Weighted_Contribution": -0.361913, "FDA_Category_D_and_X_Top_Rank": -0.0898737, "Placenta_Crossing_L1000_Similarity": 0.402252, "Placenta_Crossing_Structural_Similarity": -0.813033, "Placenta_Crossing_Weighted_Contribution": -0.633562, "Placenta_Crossing_Top_Rank": -0.0844633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3", "InChI_key": "YZFWTZACSRHJQD-UHFFFAOYSA-N" } }, "CID:27559": { "type": "Drug", "properties": { "id": "CID:27559", "label": "pnu-22394", "lsm": "LSM-2360", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/27559", "FDA_Category_D_L1000_Similarity": 0.539566, "FDA_Category_D_Structural_Similarity": -0.930634, "FDA_Category_D_Weighted_Contribution": -0.625909, "FDA_Category_D_Top_Rank": -0.0842547, "FDA_Category_X_L1000_Similarity": 1.59107, "FDA_Category_X_Structural_Similarity": 0.179283, "FDA_Category_X_Weighted_Contribution": 0.903956, "FDA_Category_X_Top_Rank": -0.0405546, "FDA_Category_D_and_X_L1000_Similarity": 0.948293, "FDA_Category_D_and_X_Structural_Similarity": -0.641916, "FDA_Category_D_and_X_Weighted_Contribution": -0.230127, "FDA_Category_D_and_X_Top_Rank": -0.0718544, "Placenta_Crossing_L1000_Similarity": 0.916072, "Placenta_Crossing_Structural_Similarity": -0.533227, "Placenta_Crossing_Weighted_Contribution": -0.195513, "Placenta_Crossing_Top_Rank": -0.0732228, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(CCNCC2)C3=CC=CC=C31", "InChI_key": "ZBXDOQWPGBISAR-UHFFFAOYSA-N" } }, "CID:2765": { "type": "Drug", "properties": { "id": "CID:2765", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2765", "label": "cirazoline", "FDA_Category_D_L1000_Similarity": 0.0883581, "FDA_Category_D_Structural_Similarity": -0.217911, "FDA_Category_D_Weighted_Contribution": -0.261887, "FDA_Category_D_Top_Rank": -0.0898698, "FDA_Category_X_L1000_Similarity": 1.10533, "FDA_Category_X_Structural_Similarity": -0.372273, "FDA_Category_X_Weighted_Contribution": 0.0534363, "FDA_Category_X_Top_Rank": -0.067888, "FDA_Category_D_and_X_L1000_Similarity": 0.411833, "FDA_Category_D_and_X_Structural_Similarity": -0.373836, "FDA_Category_D_and_X_Weighted_Contribution": -0.258193, "FDA_Category_D_and_X_Top_Rank": -0.0872947, "Placenta_Crossing_L1000_Similarity": 0.771098, "Placenta_Crossing_Structural_Similarity": 0.082163, "Placenta_Crossing_Weighted_Contribution": 0.316315, "Placenta_Crossing_Top_Rank": -0.0771415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C2=CC=CC=C2OCC3=NCCN3", "InChI_key": "YAORIDZYZDUZCM-UHFFFAOYSA-N" } }, "CID:2772764": { "type": "Drug", "properties": { "id": "CID:2772764", "label": "vu-0011562", "lsm": "LSM-1989", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2772764", "FDA_Category_D_L1000_Similarity": 0.403887, "FDA_Category_D_Structural_Similarity": 0.304572, "FDA_Category_D_Weighted_Contribution": 0.414229, "FDA_Category_D_Top_Rank": -0.0770891, "FDA_Category_X_L1000_Similarity": -0.0582139, "FDA_Category_X_Structural_Similarity": -0.668243, "FDA_Category_X_Weighted_Contribution": -0.716238, "FDA_Category_X_Top_Rank": -0.0879866, "FDA_Category_D_and_X_L1000_Similarity": 0.330482, "FDA_Category_D_and_X_Structural_Similarity": -0.118838, "FDA_Category_D_and_X_Weighted_Contribution": -0.073556, "FDA_Category_D_and_X_Top_Rank": -0.0885398, "Placenta_Crossing_L1000_Similarity": 0.501012, "Placenta_Crossing_Structural_Similarity": 0.0618134, "Placenta_Crossing_Weighted_Contribution": 0.161126, "Placenta_Crossing_Top_Rank": -0.0808759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)NC(=N2)COCC3=NC4=CC=CC=C4N3", "InChI_key": "ARJVRZCHBXVMAC-UHFFFAOYSA-N" } }, "CID:2788": { "type": "Drug", "properties": { "id": "CID:2788", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2788", "label": "clioquinol", "FDA_Category_D_L1000_Similarity": 1.95486, "FDA_Category_D_Structural_Similarity": -0.637535, "FDA_Category_D_Weighted_Contribution": 0.379472, "FDA_Category_D_Top_Rank": 0.163955, "FDA_Category_X_L1000_Similarity": 0.20747, "FDA_Category_X_Structural_Similarity": -0.701821, "FDA_Category_X_Weighted_Contribution": -0.640097, "FDA_Category_X_Top_Rank": -0.0858702, "FDA_Category_D_and_X_L1000_Similarity": 1.74813, "FDA_Category_D_and_X_Structural_Similarity": -0.88472, "FDA_Category_D_and_X_Weighted_Contribution": -0.0473279, "FDA_Category_D_and_X_Top_Rank": 0.0225988, "Placenta_Crossing_L1000_Similarity": 1.90546, "Placenta_Crossing_Structural_Similarity": -0.913346, "Placenta_Crossing_Weighted_Contribution": -0.0862765, "Placenta_Crossing_Top_Rank": 0.0217355, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1", "InChI_key": "QCDFBFJGMNKBDO-UHFFFAOYSA-N" } }, "CID:2794": { "type": "Drug", "properties": { "id": "CID:2794", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2794", "label": "clofazimine", "FDA_Category_D_L1000_Similarity": -1.57252, "FDA_Category_D_Structural_Similarity": -0.617535, "FDA_Category_D_Weighted_Contribution": -1.20134, "FDA_Category_D_Top_Rank": -0.0952067, "FDA_Category_X_L1000_Similarity": 0.711652, "FDA_Category_X_Structural_Similarity": -0.716549, "FDA_Category_X_Weighted_Contribution": -0.446432, "FDA_Category_X_Top_Rank": -0.0789265, "FDA_Category_D_and_X_L1000_Similarity": -1.13942, "FDA_Category_D_and_X_Structural_Similarity": -0.876793, "FDA_Category_D_and_X_Weighted_Contribution": -1.18079, "FDA_Category_D_and_X_Top_Rank": -0.0962919, "Placenta_Crossing_L1000_Similarity": -0.317263, "Placenta_Crossing_Structural_Similarity": 0.173475, "Placenta_Crossing_Weighted_Contribution": -0.123256, "Placenta_Crossing_Top_Rank": -0.0784334, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "WDQPAMHFFCXSNU-BGABXYSRSA-N" } }, "CID:2796": { "type": "Drug", "properties": { "id": "CID:2796", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2796", "label": "clofibrate", "ref": "LSM-2996", "FDA_Category_D_L1000_Similarity": 1.05662, "FDA_Category_D_Structural_Similarity": 0.408579, "FDA_Category_D_Weighted_Contribution": 0.930476, "FDA_Category_D_Top_Rank": -0.0617004, "FDA_Category_X_L1000_Similarity": 0.92724, "FDA_Category_X_Structural_Similarity": 0.807431, "FDA_Category_X_Weighted_Contribution": 1.24015, "FDA_Category_X_Top_Rank": -0.0495756, "FDA_Category_D_and_X_L1000_Similarity": 1.19242, "FDA_Category_D_and_X_Structural_Similarity": 0.759981, "FDA_Category_D_and_X_Weighted_Contribution": 1.31446, "FDA_Category_D_and_X_Top_Rank": -0.0553138, "Placenta_Crossing_L1000_Similarity": 0.405831, "Placenta_Crossing_Structural_Similarity": 0.620345, "Placenta_Crossing_Weighted_Contribution": 0.679527, "Placenta_Crossing_Top_Rank": -0.065941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl", "InChI_key": "KNHUKKLJHYUCFP-UHFFFAOYSA-N" } }, "CID:2798": { "type": "Drug", "properties": { "id": "CID:2798", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2798", "label": "Clofilium", "FDA_Category_D_L1000_Similarity": -1.81525, "FDA_Category_D_Structural_Similarity": -0.282986, "FDA_Category_D_Weighted_Contribution": -1.10019, "FDA_Category_D_Top_Rank": -0.0911057, "FDA_Category_X_L1000_Similarity": -0.983043, "FDA_Category_X_Structural_Similarity": -0.604351, "FDA_Category_X_Weighted_Contribution": -0.993045, "FDA_Category_X_Top_Rank": -0.0911136, "FDA_Category_D_and_X_L1000_Similarity": -1.86331, "FDA_Category_D_and_X_Structural_Similarity": -0.550715, "FDA_Category_D_and_X_Weighted_Contribution": -1.21932, "FDA_Category_D_and_X_Top_Rank": -0.0944113, "Placenta_Crossing_L1000_Similarity": -1.44621, "Placenta_Crossing_Structural_Similarity": -0.589841, "Placenta_Crossing_Weighted_Contribution": -1.09049, "Placenta_Crossing_Top_Rank": -0.0904705, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2802894": { "type": "Drug", "properties": { "id": "CID:2802894", "label": "ly-288513", "lsm": "LSM-2541", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2802894", "FDA_Category_D_L1000_Similarity": 0.0391365, "FDA_Category_D_Structural_Similarity": 0.680144, "FDA_Category_D_Weighted_Contribution": 0.582934, "FDA_Category_D_Top_Rank": -0.0649256, "FDA_Category_X_L1000_Similarity": 1.93409, "FDA_Category_X_Structural_Similarity": -0.67313, "FDA_Category_X_Weighted_Contribution": 0.168035, "FDA_Category_X_Top_Rank": 0.000390627, "FDA_Category_D_and_X_L1000_Similarity": 0.621087, "FDA_Category_D_and_X_Structural_Similarity": 0.176621, "FDA_Category_D_and_X_Weighted_Contribution": 0.365031, "FDA_Category_D_and_X_Top_Rank": -0.0821332, "Placenta_Crossing_L1000_Similarity": 0.106128, "Placenta_Crossing_Structural_Similarity": 0.847783, "Placenta_Crossing_Weighted_Contribution": 0.759255, "Placenta_Crossing_Top_Rank": -0.0574598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4", "InChI_key": "LMUQHXHWJWQXSD-PMACEKPBSA-N" } }, "CID:2805": { "type": "Drug", "properties": { "id": "CID:2805", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2805", "label": "cloperastine", "FDA_Category_D_L1000_Similarity": -1.37627, "FDA_Category_D_Structural_Similarity": 2.07518, "FDA_Category_D_Weighted_Contribution": 1.1946, "FDA_Category_D_Top_Rank": 0.0618789, "FDA_Category_X_L1000_Similarity": 0.363349, "FDA_Category_X_Structural_Similarity": -0.663871, "FDA_Category_X_Weighted_Contribution": -0.547613, "FDA_Category_X_Top_Rank": -0.0842244, "FDA_Category_D_and_X_L1000_Similarity": -1.07603, "FDA_Category_D_and_X_Structural_Similarity": 1.28887, "FDA_Category_D_and_X_Weighted_Contribution": 0.528248, "FDA_Category_D_and_X_Top_Rank": -0.0326775, "Placenta_Crossing_L1000_Similarity": -0.330731, "Placenta_Crossing_Structural_Similarity": -0.972243, "Placenta_Crossing_Weighted_Contribution": -0.986232, "Placenta_Crossing_Top_Rank": -0.0901835, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "InChI_key": "FLNXBVJLPJNOSI-UHFFFAOYSA-N" } }, "CID:28061": { "type": "Drug", "properties": { "id": "CID:28061", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID28061", "label": "ornidazole", "FDA_Category_D_L1000_Similarity": 1.94815, "FDA_Category_D_Structural_Similarity": 1.22736, "FDA_Category_D_Weighted_Contribution": 2.35079, "FDA_Category_D_Top_Rank": 0.16028, "FDA_Category_X_L1000_Similarity": 2.07613, "FDA_Category_X_Structural_Similarity": 1.05836, "FDA_Category_X_Weighted_Contribution": 2.16341, "FDA_Category_X_Top_Rank": 0.0235452, "FDA_Category_D_and_X_L1000_Similarity": 2.30983, "FDA_Category_D_and_X_Structural_Similarity": 1.54526, "FDA_Category_D_and_X_Weighted_Contribution": 2.69933, "FDA_Category_D_and_X_Top_Rank": 0.298484, "Placenta_Crossing_L1000_Similarity": 2.37201, "Placenta_Crossing_Structural_Similarity": 0.0979964, "Placenta_Crossing_Weighted_Contribution": 1.18872, "Placenta_Crossing_Top_Rank": 0.195955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]", "InChI_key": "IPWKIXLWTCNBKN-UHFFFAOYSA-N" } }, "CID:2815801": { "type": "Drug", "properties": { "id": "CID:2815801", "label": "hts-11203sc", "lsm": "LSM-4912", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2815801", "FDA_Category_D_L1000_Similarity": -0.29695, "FDA_Category_D_Structural_Similarity": -0.309097, "FDA_Category_D_Weighted_Contribution": -0.524759, "FDA_Category_D_Top_Rank": -0.0915449, "FDA_Category_X_L1000_Similarity": -1.17877, "FDA_Category_X_Structural_Similarity": 0.385213, "FDA_Category_X_Weighted_Contribution": -0.310668, "FDA_Category_X_Top_Rank": -0.0664909, "FDA_Category_D_and_X_L1000_Similarity": -0.613943, "FDA_Category_D_and_X_Structural_Similarity": -0.037475, "FDA_Category_D_and_X_Weighted_Contribution": -0.454989, "FDA_Category_D_and_X_Top_Rank": -0.0870758, "Placenta_Crossing_L1000_Similarity": -0.0756833, "Placenta_Crossing_Structural_Similarity": -0.453331, "Placenta_Crossing_Weighted_Contribution": -0.54525, "Placenta_Crossing_Top_Rank": -0.0888164, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)C2=NN(N=C2)C3=CC=C(C=C3)Cl", "InChI_key": "XWHGBBYCNYAEFF-UHFFFAOYSA-N" } }, "CID:2819152": { "type": "Drug", "properties": { "id": "CID:2819152", "label": "km-00927", "lsm": "LSM-4745", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2819152", "FDA_Category_D_L1000_Similarity": -0.409877, "FDA_Category_D_Structural_Similarity": -0.864173, "FDA_Category_D_Weighted_Contribution": -0.959517, "FDA_Category_D_Top_Rank": -0.094751, "FDA_Category_X_L1000_Similarity": -2.14129, "FDA_Category_X_Structural_Similarity": -0.600494, "FDA_Category_X_Weighted_Contribution": -1.31486, "FDA_Category_X_Top_Rank": -0.0910849, "FDA_Category_D_and_X_L1000_Similarity": -1.0036, "FDA_Category_D_and_X_Structural_Similarity": -1.00993, "FDA_Category_D_and_X_Weighted_Contribution": -1.2085, "FDA_Category_D_and_X_Top_Rank": -0.0962302, "Placenta_Crossing_L1000_Similarity": -1.06258, "Placenta_Crossing_Structural_Similarity": -0.135109, "Placenta_Crossing_Weighted_Contribution": -0.68103, "Placenta_Crossing_Top_Rank": -0.0848965, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N", "InChI_key": "VAUYKIRTPDSWGR-MHWRWJLKSA-N" } }, "CID:2819993": { "type": "Drug", "properties": { "id": "CID:2819993", "label": "P-5091", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2819993", "FDA_Category_D_L1000_Similarity": 0.0524119, "FDA_Category_X_L1000_Similarity": -0.125248, "FDA_Category_D_and_X_L1000_Similarity": 0.00714748, "Placenta_Crossing_L1000_Similarity": -0.267781, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2820118": { "type": "Drug", "properties": { "id": "CID:2820118", "label": "km-03439", "lsm": "LSM-4604", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2820118", "FDA_Category_D_L1000_Similarity": -0.215376, "FDA_Category_D_Structural_Similarity": -0.440748, "FDA_Category_D_Weighted_Contribution": -0.589749, "FDA_Category_D_Top_Rank": -0.0934447, "FDA_Category_X_L1000_Similarity": -0.272858, "FDA_Category_X_Structural_Similarity": -0.712178, "FDA_Category_X_Weighted_Contribution": -0.826669, "FDA_Category_X_Top_Rank": -0.0891481, "FDA_Category_D_and_X_L1000_Similarity": -0.26853, "FDA_Category_D_and_X_Structural_Similarity": -0.734116, "FDA_Category_D_and_X_Weighted_Contribution": -0.819449, "FDA_Category_D_and_X_Top_Rank": -0.0940377, "Placenta_Crossing_L1000_Similarity": 0.0563928, "Placenta_Crossing_Structural_Similarity": 1.25051, "Placenta_Crossing_Weighted_Contribution": 1.16469, "Placenta_Crossing_Top_Rank": -0.0365135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN(C=C3)C(=O)NC4=CC=CC=C4)C", "InChI_key": "LITOCZGWAIHTLM-UHFFFAOYSA-N" } }, "CID:2820696": { "type": "Drug", "properties": { "id": "CID:2820696", "label": "KM-04644SC", "lsm": "LSM-4901", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2820696", "FDA_Category_D_L1000_Similarity": -0.0792794, "FDA_Category_D_Structural_Similarity": 1.49085, "FDA_Category_D_Weighted_Contribution": 1.38629, "FDA_Category_D_Top_Rank": -0.0176797, "FDA_Category_X_L1000_Similarity": 0.935564, "FDA_Category_X_Structural_Similarity": -0.674215, "FDA_Category_X_Weighted_Contribution": -0.311924, "FDA_Category_X_Top_Rank": -0.0734732, "FDA_Category_D_and_X_L1000_Similarity": 0.215769, "FDA_Category_D_and_X_Structural_Similarity": 0.819508, "FDA_Category_D_and_X_Weighted_Contribution": 0.793724, "FDA_Category_D_and_X_Top_Rank": -0.0624934, "Placenta_Crossing_L1000_Similarity": 0.921796, "Placenta_Crossing_Structural_Similarity": -0.0154392, "Placenta_Crossing_Weighted_Contribution": 0.29518, "Placenta_Crossing_Top_Rank": -0.0730529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2837663": { "type": "Drug", "properties": { "id": "CID:2837663", "label": "foliosidine", "lsm": "LSM-1604", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2837663", "FDA_Category_D_L1000_Similarity": 0.366777, "FDA_Category_D_Structural_Similarity": -0.885855, "FDA_Category_D_Weighted_Contribution": -0.667751, "FDA_Category_D_Top_Rank": -0.0877365, "FDA_Category_X_L1000_Similarity": 0.489692, "FDA_Category_X_Structural_Similarity": -0.52971, "FDA_Category_X_Weighted_Contribution": -0.381255, "FDA_Category_X_Top_Rank": -0.0826398, "FDA_Category_D_and_X_L1000_Similarity": 0.464872, "FDA_Category_D_and_X_Structural_Similarity": -0.988944, "FDA_Category_D_and_X_Weighted_Contribution": -0.713612, "FDA_Category_D_and_X_Top_Rank": -0.0863322, "Placenta_Crossing_L1000_Similarity": 0.795535, "Placenta_Crossing_Structural_Similarity": -0.958465, "Placenta_Crossing_Weighted_Contribution": -0.593295, "Placenta_Crossing_Top_Rank": -0.0764923, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)O", "InChI_key": "IUPYLWAXGAJZQC-UHFFFAOYSA-N" } }, "CID:28871": { "type": "Drug", "properties": { "id": "CID:28871", "label": "fentiazac", "lsm": "LSM-5342", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/28871", "IDG_ID": "1165", "FDA_Category_D_L1000_Similarity": 0.516453, "FDA_Category_D_Structural_Similarity": 0.981113, "FDA_Category_D_Weighted_Contribution": 1.21025, "FDA_Category_D_Top_Rank": -0.0514451, "FDA_Category_X_L1000_Similarity": -0.0505075, "FDA_Category_X_Structural_Similarity": -0.536054, "FDA_Category_X_Weighted_Contribution": -0.611268, "FDA_Category_X_Top_Rank": -0.087935, "FDA_Category_D_and_X_L1000_Similarity": 0.429858, "FDA_Category_D_and_X_Structural_Similarity": 0.48947, "FDA_Category_D_and_X_Weighted_Contribution": 0.574313, "FDA_Category_D_and_X_Top_Rank": -0.0742186, "Placenta_Crossing_L1000_Similarity": 0.811707, "Placenta_Crossing_Structural_Similarity": 1.10675, "Placenta_Crossing_Weighted_Contribution": 1.42326, "Placenta_Crossing_Top_Rank": -0.04524, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl", "InChI_key": "JIEKMACRVQTPRC-UHFFFAOYSA-N" } }, "CID:2904": { "type": "Drug", "properties": { "id": "CID:2904", "label": "cyclopenthiazide", "lsm": "LSM-1529", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2904", "FDA_Category_D_L1000_Similarity": 0.457621, "FDA_Category_D_Structural_Similarity": 0.201309, "FDA_Category_D_Weighted_Contribution": 0.340813, "FDA_Category_D_Top_Rank": -0.0798737, "FDA_Category_X_L1000_Similarity": 0.277091, "FDA_Category_X_Structural_Similarity": -0.321301, "FDA_Category_X_Weighted_Contribution": -0.290945, "FDA_Category_X_Top_Rank": -0.085162, "FDA_Category_D_and_X_L1000_Similarity": 0.478613, "FDA_Category_D_and_X_Structural_Similarity": -0.0135908, "FDA_Category_D_and_X_Weighted_Contribution": 0.10131, "FDA_Category_D_and_X_Top_Rank": -0.0860805, "Placenta_Crossing_L1000_Similarity": 0.854358, "Placenta_Crossing_Structural_Similarity": 0.0816116, "Placenta_Crossing_Weighted_Contribution": 0.358204, "Placenta_Crossing_Top_Rank": -0.0748753, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl", "InChI_key": "BKYKPTRYDKTTJY-UHFFFAOYSA-N" } }, "CID:2913": { "type": "Drug", "properties": { "id": "CID:2913", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2913", "label": "cyproheptadine", "FDA_Category_D_L1000_Similarity": 0.543147, "FDA_Category_D_Structural_Similarity": -0.703555, "FDA_Category_D_Weighted_Contribution": -0.446776, "FDA_Category_D_Top_Rank": -0.0841674, "FDA_Category_X_L1000_Similarity": 0.0766432, "FDA_Category_X_Structural_Similarity": -0.597763, "FDA_Category_X_Weighted_Contribution": -0.60975, "FDA_Category_X_Top_Rank": -0.087031, "FDA_Category_D_and_X_L1000_Similarity": 0.491478, "FDA_Category_D_and_X_Structural_Similarity": -0.880971, "FDA_Category_D_and_X_Weighted_Contribution": -0.625704, "FDA_Category_D_and_X_Top_Rank": -0.085764, "Placenta_Crossing_L1000_Similarity": -1.04083, "Placenta_Crossing_Structural_Similarity": -0.968033, "Placenta_Crossing_Weighted_Contribution": -1.18068, "Placenta_Crossing_Top_Rank": -0.0918768, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1", "InChI_key": "JJCFRYNCJDLXIK-UHFFFAOYSA-N" } }, "CID:2921148": { "type": "Drug", "properties": { "id": "CID:2921148", "label": "brl-50481", "lsm": "LSM-3887", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2921148", "FDA_Category_D_L1000_Similarity": 1.50092, "FDA_Category_D_Structural_Similarity": -0.118644, "FDA_Category_D_Weighted_Contribution": 0.64342, "FDA_Category_D_Top_Rank": -0.00837311, "FDA_Category_X_L1000_Similarity": 2.72573, "FDA_Category_X_Structural_Similarity": -0.60841, "FDA_Category_X_Weighted_Contribution": 0.65859, "FDA_Category_X_Top_Rank": 0.306456, "FDA_Category_D_and_X_L1000_Similarity": 2.12158, "FDA_Category_D_and_X_Structural_Similarity": -0.422465, "FDA_Category_D_and_X_Weighted_Contribution": 0.611967, "FDA_Category_D_and_X_Top_Rank": 0.161558, "Placenta_Crossing_L1000_Similarity": 1.74119, "Placenta_Crossing_Structural_Similarity": -0.139576, "Placenta_Crossing_Weighted_Contribution": 0.593043, "Placenta_Crossing_Top_Rank": -0.00926726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)C", "InChI_key": "IFIUFCJFLGCQPH-UHFFFAOYSA-N" } }, "CID:2929": { "type": "Drug", "properties": { "id": "CID:2929", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2929", "label": "indibulin", "FDA_Category_D_L1000_Similarity": 0.681022, "FDA_Category_D_Structural_Similarity": -0.377592, "FDA_Category_D_Weighted_Contribution": -0.0939629, "FDA_Category_D_Top_Rank": -0.08029, "FDA_Category_X_L1000_Similarity": 0.0404441, "FDA_Category_X_Structural_Similarity": -0.104239, "FDA_Category_X_Weighted_Contribution": -0.200904, "FDA_Category_X_Top_Rank": -0.0824156, "FDA_Category_D_and_X_L1000_Similarity": 0.59934, "FDA_Category_D_and_X_Structural_Similarity": -0.355947, "FDA_Category_D_and_X_Weighted_Contribution": -0.151042, "FDA_Category_D_and_X_Top_Rank": -0.0834463, "Placenta_Crossing_L1000_Similarity": 0.638946, "Placenta_Crossing_Structural_Similarity": -0.867428, "Placenta_Crossing_Weighted_Contribution": -0.584555, "Placenta_Crossing_Top_Rank": -0.08018, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4", "InChI_key": "SOLIIYNRSAWTSQ-UHFFFAOYSA-N" } }, "CID:2930014": { "type": "Drug", "properties": { "id": "CID:2930014", "label": "k3644", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2930014", "FDA_Category_D_L1000_Similarity": 1.09839, "FDA_Category_D_Structural_Similarity": -0.477332, "FDA_Category_D_Weighted_Contribution": 0.041579, "FDA_Category_D_Top_Rank": -0.0583743, "FDA_Category_X_L1000_Similarity": 0.498034, "FDA_Category_X_Structural_Similarity": -0.756238, "FDA_Category_X_Weighted_Contribution": -0.567859, "FDA_Category_X_Top_Rank": -0.0825351, "FDA_Category_D_and_X_L1000_Similarity": 1.09807, "FDA_Category_D_and_X_Structural_Similarity": -0.786928, "FDA_Category_D_and_X_Weighted_Contribution": -0.2824, "FDA_Category_D_and_X_Top_Rank": -0.0628341, "Placenta_Crossing_L1000_Similarity": 0.708518, "Placenta_Crossing_Structural_Similarity": -0.943455, "Placenta_Crossing_Weighted_Contribution": -0.615087, "Placenta_Crossing_Top_Rank": -0.0787073, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C", "InChI_key": "JEFVYQYZCAVNTP-UHFFFAOYSA-N" } }, "CID:2933863": { "type": "Drug", "properties": { "id": "CID:2933863", "label": "ku-c103875", "lsm": "LSM-2801", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2933863", "FDA_Category_D_L1000_Similarity": 0.206022, "FDA_Category_D_Structural_Similarity": 0.428204, "FDA_Category_D_Weighted_Contribution": 0.422222, "FDA_Category_D_Top_Rank": -0.0735165, "FDA_Category_X_L1000_Similarity": 1.5901, "FDA_Category_X_Structural_Similarity": 0.0169326, "FDA_Category_X_Weighted_Contribution": 0.721733, "FDA_Category_X_Top_Rank": -0.0406759, "FDA_Category_D_and_X_L1000_Similarity": 0.660486, "FDA_Category_D_and_X_Structural_Similarity": 0.349008, "FDA_Category_D_and_X_Weighted_Contribution": 0.562779, "FDA_Category_D_and_X_Top_Rank": -0.078347, "Placenta_Crossing_L1000_Similarity": 0.77443, "Placenta_Crossing_Structural_Similarity": 0.274793, "Placenta_Crossing_Weighted_Contribution": 0.514055, "Placenta_Crossing_Top_Rank": -0.0757174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)NCCCN3C=CN=C3", "InChI_key": "KXNLJVJENNOQRK-UHFFFAOYSA-N" } }, "CID:2948": { "type": "Drug", "properties": { "id": "CID:2948", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2948", "label": "damnacanthal", "FDA_Category_D_L1000_Similarity": 1.03839, "FDA_Category_D_Structural_Similarity": 0.817223, "FDA_Category_D_Weighted_Contribution": 1.36537, "FDA_Category_D_Top_Rank": -0.0599234, "FDA_Category_X_L1000_Similarity": -1.1405, "FDA_Category_X_Structural_Similarity": 0.0135767, "FDA_Category_X_Weighted_Contribution": -0.607947, "FDA_Category_X_Top_Rank": -0.0794277, "FDA_Category_D_and_X_L1000_Similarity": 0.548767, "FDA_Category_D_and_X_Structural_Similarity": 0.655967, "FDA_Category_D_and_X_Weighted_Contribution": 0.818153, "FDA_Category_D_and_X_Top_Rank": -0.0688247, "Placenta_Crossing_L1000_Similarity": 0.716827, "Placenta_Crossing_Structural_Similarity": -0.42649, "Placenta_Crossing_Weighted_Contribution": -0.190519, "Placenta_Crossing_Top_Rank": -0.0785352, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O", "InChI_key": "IPDMWUNUULAXLU-UHFFFAOYSA-N" } }, "CID:2966": { "type": "Drug", "properties": { "id": "CID:2966", "label": "debrisoquine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2966", "FDA_Category_D_L1000_Similarity": 0.33994, "FDA_Category_X_L1000_Similarity": 0.535232, "FDA_Category_D_and_X_L1000_Similarity": 0.455579, "Placenta_Crossing_L1000_Similarity": 0.156185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC2=CC=CC=C21)C(=N)N", "InChI_key": "JWPGJSVJDAJRLW-UHFFFAOYSA-N" } }, "CID:2968": { "type": "Drug", "properties": { "id": "CID:2968", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2968", "label": "decamethonium", "FDA_Category_D_L1000_Similarity": -0.19631, "FDA_Category_D_Structural_Similarity": -0.405989, "FDA_Category_D_Weighted_Contribution": -0.554411, "FDA_Category_D_Top_Rank": -0.0930049, "FDA_Category_X_L1000_Similarity": -0.984463, "FDA_Category_X_Structural_Similarity": -0.714056, "FDA_Category_X_Weighted_Contribution": -1.06166, "FDA_Category_X_Top_Rank": -0.0912376, "FDA_Category_D_and_X_L1000_Similarity": -0.468186, "FDA_Category_D_and_X_Structural_Similarity": -0.70754, "FDA_Category_D_and_X_Weighted_Contribution": -0.87444, "FDA_Category_D_and_X_Top_Rank": -0.0949503, "Placenta_Crossing_L1000_Similarity": -0.337858, "Placenta_Crossing_Structural_Similarity": -0.731486, "Placenta_Crossing_Weighted_Contribution": -0.838271, "Placenta_Crossing_Top_Rank": -0.0902116, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C", "InChI_key": "MTCUAOILFDZKCO-UHFFFAOYSA-N" } }, "CID:299": { "type": "Drug", "properties": { "id": "CID:299", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID299", "label": "Kepone", "FDA_Category_D_L1000_Similarity": -0.938514, "FDA_Category_D_Structural_Similarity": -0.644259, "FDA_Category_D_Weighted_Contribution": -1.01348, "FDA_Category_D_Top_Rank": -0.0954258, "FDA_Category_X_L1000_Similarity": -0.333769, "FDA_Category_X_Structural_Similarity": -0.708196, "FDA_Category_X_Weighted_Contribution": -0.845319, "FDA_Category_X_Top_Rank": -0.0894014, "FDA_Category_D_and_X_L1000_Similarity": -0.910367, "FDA_Category_D_and_X_Structural_Similarity": -0.893496, "FDA_Category_D_and_X_Weighted_Contribution": -1.12422, "FDA_Category_D_and_X_Top_Rank": -0.0961001, "Placenta_Crossing_L1000_Similarity": -0.538509, "Placenta_Crossing_Structural_Similarity": -0.971578, "Placenta_Crossing_Weighted_Contribution": -1.04681, "Placenta_Crossing_Top_Rank": -0.0908994, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2993": { "type": "Drug", "properties": { "id": "CID:2993", "label": "dequalinium", "lsm": "LSM-5846", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2993", "IDG_ID": "4376", "FDA_Category_D_L1000_Similarity": -1.37723, "FDA_Category_D_Structural_Similarity": -0.0253754, "FDA_Category_D_Weighted_Contribution": -0.782141, "FDA_Category_D_Top_Rank": -0.0857094, "FDA_Category_X_L1000_Similarity": -1.88894, "FDA_Category_X_Structural_Similarity": 0.637265, "FDA_Category_X_Weighted_Contribution": -0.401476, "FDA_Category_X_Top_Rank": -0.0562431, "FDA_Category_D_and_X_L1000_Similarity": -1.76083, "FDA_Category_D_and_X_Structural_Similarity": 0.323725, "FDA_Category_D_and_X_Weighted_Contribution": -0.667619, "FDA_Category_D_and_X_Top_Rank": -0.0788057, "Placenta_Crossing_L1000_Similarity": -1.35674, "Placenta_Crossing_Structural_Similarity": 2.83952, "Placenta_Crossing_Weighted_Contribution": 2.08523, "Placenta_Crossing_Top_Rank": 0.15952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C", "InChI_key": "PCSWXVJAIHCTMO-UHFFFAOYSA-P" } }, "CID:3000322": { "type": "Drug", "properties": { "id": "CID:3000322", "label": "scopolamine", "lsm": "LSM-1606", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3000322", "IDG_ID": "2424", "FDA_Category_D_L1000_Similarity": -0.189494, "FDA_Category_D_Structural_Similarity": 3.29562, "FDA_Category_D_Weighted_Contribution": 3.05779, "FDA_Category_D_Top_Rank": 0.292894, "FDA_Category_X_L1000_Similarity": 1.99688, "FDA_Category_X_Structural_Similarity": 0.69858, "FDA_Category_X_Weighted_Contribution": 1.72458, "FDA_Category_X_Top_Rank": 0.0112966, "FDA_Category_D_and_X_L1000_Similarity": 0.44307, "FDA_Category_D_and_X_Structural_Similarity": 2.99273, "FDA_Category_D_and_X_Weighted_Contribution": 3.01334, "FDA_Category_D_and_X_Top_Rank": 0.205658, "Placenta_Crossing_L1000_Similarity": 1.95016, "Placenta_Crossing_Structural_Similarity": 1.1085, "Placenta_Crossing_Weighted_Contribution": 2.03146, "Placenta_Crossing_Top_Rank": 0.0321504, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1([O-])[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4", "InChI_key": "GSYQNAMOFFWAPF-PPOBMCMBSA-N" } }, "CID:3002119": { "type": "Drug", "properties": { "id": "CID:3002119", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3002119", "label": "fursultiamine", "FDA_Category_D_L1000_Similarity": 0.630744, "FDA_Category_D_Structural_Similarity": 0.714902, "FDA_Category_D_Weighted_Contribution": 0.992418, "FDA_Category_D_Top_Rank": -0.0637193, "FDA_Category_X_L1000_Similarity": -0.0117305, "FDA_Category_X_Structural_Similarity": 0.988803, "FDA_Category_X_Weighted_Contribution": 0.912378, "FDA_Category_X_Top_Rank": -0.0416872, "FDA_Category_D_and_X_L1000_Similarity": 0.540146, "FDA_Category_D_and_X_Structural_Similarity": 1.10098, "FDA_Category_D_and_X_Weighted_Contribution": 1.28809, "FDA_Category_D_and_X_Top_Rank": -0.0461369, "Placenta_Crossing_L1000_Similarity": 1.11691, "Placenta_Crossing_Structural_Similarity": 2.43479, "Placenta_Crossing_Weighted_Contribution": 2.85761, "Placenta_Crossing_Top_Rank": 0.0803793, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C", "InChI_key": "JTLXCMOFVBXEKD-FOWTUZBSSA-N" } }, "CID:3009": { "type": "Drug", "properties": { "id": "CID:3009", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3009", "label": "eflornithine", "FDA_Category_D_L1000_Similarity": 0.766877, "FDA_Category_D_Structural_Similarity": -0.833874, "FDA_Category_D_Weighted_Contribution": -0.446212, "FDA_Category_D_Top_Rank": -0.0771715, "FDA_Category_X_L1000_Similarity": 2.68679, "FDA_Category_X_Structural_Similarity": -0.724674, "FDA_Category_X_Weighted_Contribution": 0.510223, "FDA_Category_X_Top_Rank": 0.283672, "FDA_Category_D_and_X_L1000_Similarity": 1.47699, "FDA_Category_D_and_X_Structural_Similarity": -1.05289, "FDA_Category_D_and_X_Weighted_Contribution": -0.327463, "FDA_Category_D_and_X_Top_Rank": -0.0266889, "Placenta_Crossing_L1000_Similarity": 1.00312, "Placenta_Crossing_Structural_Similarity": 0.512731, "Placenta_Crossing_Weighted_Contribution": 0.887236, "Placenta_Crossing_Top_Rank": -0.0690886, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(C(F)F)(C(=O)O)N)CN", "InChI_key": "VLCYCQAOQCDTCN-UHFFFAOYSA-N" } }, "CID:3009355": { "type": "Drug", "properties": { "id": "CID:3009355", "label": "vicriviroc", "lsm": "LSM-6059", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3009355", "FDA_Category_D_L1000_Similarity": 0.877318, "FDA_Category_D_Structural_Similarity": 0.526484, "FDA_Category_D_Weighted_Contribution": 0.9445, "FDA_Category_D_Top_Rank": -0.0700915, "FDA_Category_X_L1000_Similarity": 0.727646, "FDA_Category_X_Structural_Similarity": -0.616278, "FDA_Category_X_Weighted_Contribution": -0.352797, "FDA_Category_X_Top_Rank": -0.0785376, "FDA_Category_D_and_X_L1000_Similarity": 0.977239, "FDA_Category_D_and_X_Structural_Similarity": 0.0853361, "FDA_Category_D_and_X_Weighted_Contribution": 0.474512, "FDA_Category_D_and_X_Top_Rank": -0.0703819, "Placenta_Crossing_L1000_Similarity": 0.950479, "Placenta_Crossing_Structural_Similarity": 0.371114, "Placenta_Crossing_Weighted_Contribution": 0.708086, "Placenta_Crossing_Top_Rank": -0.0721677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C", "InChI_key": "CNPVJJQCETWNEU-CYFREDJKSA-N" } }, "CID:3011155": { "type": "Drug", "properties": { "id": "CID:3011155", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3011155", "label": "nelarabine", "FDA_Category_D_L1000_Similarity": 0.893303, "FDA_Category_D_Structural_Similarity": 2.61563, "FDA_Category_D_Weighted_Contribution": 3.02276, "FDA_Category_D_Top_Rank": 0.152085, "FDA_Category_X_L1000_Similarity": 0.0506648, "FDA_Category_X_Structural_Similarity": 0.92625, "FDA_Category_X_Weighted_Contribution": 0.877092, "FDA_Category_X_Top_Rank": -0.0445176, "FDA_Category_D_and_X_L1000_Similarity": 0.785425, "FDA_Category_D_and_X_Structural_Similarity": 2.57586, "FDA_Category_D_and_X_Weighted_Contribution": 2.84253, "FDA_Category_D_and_X_Top_Rank": 0.114451, "Placenta_Crossing_L1000_Similarity": 1.48593, "Placenta_Crossing_Structural_Similarity": 1.77387, "Placenta_Crossing_Weighted_Contribution": 2.44826, "Placenta_Crossing_Top_Rank": 0.0072251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N", "InChI_key": "IXOXBSCIXZEQEQ-UHTZMRCNSA-N" } }, "CID:3032818": { "type": "Drug", "properties": { "id": "CID:3032818", "label": "naproxol", "lsm": "LSM-2742", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3032818", "FDA_Category_D_L1000_Similarity": -0.411994, "FDA_Category_D_Structural_Similarity": -0.769039, "FDA_Category_D_Weighted_Contribution": -0.900663, "FDA_Category_D_Top_Rank": -0.0947632, "FDA_Category_X_L1000_Similarity": -0.938524, "FDA_Category_X_Structural_Similarity": -0.664956, "FDA_Category_X_Weighted_Contribution": -1.01725, "FDA_Category_X_Top_Rank": -0.0911626, "FDA_Category_D_and_X_L1000_Similarity": -0.640162, "FDA_Category_D_and_X_Structural_Similarity": -0.969205, "FDA_Category_D_and_X_Weighted_Contribution": -1.08409, "FDA_Category_D_and_X_Top_Rank": -0.095492, "Placenta_Crossing_L1000_Similarity": 0.122041, "Placenta_Crossing_Structural_Similarity": -1.05813, "Placenta_Crossing_Weighted_Contribution": -0.898319, "Placenta_Crossing_Top_Rank": -0.0873382, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CO)C1=CC2=C(C=C1)C=C(C=C2)OC", "InChI_key": "LTRANDSQVZFZDG-SNVBAGLBSA-N" } }, "CID:3033769": { "type": "Drug", "properties": { "id": "CID:3033769", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3033769", "label": "raclopride", "FDA_Category_D_L1000_Similarity": 2.25713, "FDA_Category_D_Structural_Similarity": 3.50915, "FDA_Category_D_Weighted_Contribution": 3.94613, "FDA_Category_D_Top_Rank": 0.400585, "FDA_Category_X_L1000_Similarity": 1.11561, "FDA_Category_X_Structural_Similarity": 0.526643, "FDA_Category_X_Weighted_Contribution": 1.02774, "FDA_Category_X_Top_Rank": -0.0608435, "FDA_Category_D_and_X_L1000_Similarity": 2.28448, "FDA_Category_D_and_X_Structural_Similarity": 3.06943, "FDA_Category_D_and_X_Weighted_Contribution": 3.6581, "FDA_Category_D_and_X_Top_Rank": 0.274709, "Placenta_Crossing_L1000_Similarity": 2.20204, "Placenta_Crossing_Structural_Similarity": 3.4595, "Placenta_Crossing_Weighted_Contribution": 3.78971, "Placenta_Crossing_Top_Rank": 0.338349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O", "InChI_key": "WAOQONBSWFLFPE-VIFPVBQESA-N" } }, "CID:3042": { "type": "Drug", "properties": { "id": "CID:3042", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3042", "label": "dicyclomine", "FDA_Category_D_L1000_Similarity": -0.355072, "FDA_Category_D_Structural_Similarity": -0.433502, "FDA_Category_D_Weighted_Contribution": -0.645866, "FDA_Category_D_Top_Rank": -0.0933457, "FDA_Category_X_L1000_Similarity": 0.11503, "FDA_Category_X_Structural_Similarity": 0.749363, "FDA_Category_X_Weighted_Contribution": 0.715406, "FDA_Category_X_Top_Rank": -0.0517618, "FDA_Category_D_and_X_L1000_Similarity": -0.271138, "FDA_Category_D_and_X_Structural_Similarity": 0.0602773, "FDA_Category_D_and_X_Weighted_Contribution": -0.213996, "FDA_Category_D_and_X_Top_Rank": -0.085083, "Placenta_Crossing_L1000_Similarity": -0.275079, "Placenta_Crossing_Structural_Similarity": -0.022593, "Placenta_Crossing_Weighted_Contribution": -0.276966, "Placenta_Crossing_Top_Rank": -0.0827484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2", "InChI_key": "CURUTKGFNZGFSE-UHFFFAOYSA-N" } }, "CID:3048": { "type": "Drug", "properties": { "id": "CID:3048", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3048", "label": "Dieldrin", "FDA_Category_D_L1000_Similarity": -0.248081, "FDA_Category_D_Structural_Similarity": -0.782433, "FDA_Category_D_Weighted_Contribution": -0.846899, "FDA_Category_D_Top_Rank": -0.0939511, "FDA_Category_X_L1000_Similarity": -0.940562, "FDA_Category_X_Structural_Similarity": -0.426674, "FDA_Category_X_Weighted_Contribution": -0.860733, "FDA_Category_X_Top_Rank": -0.0886611, "FDA_Category_D_and_X_L1000_Similarity": -0.499482, "FDA_Category_D_and_X_Structural_Similarity": -0.851259, "FDA_Category_D_and_X_Weighted_Contribution": -0.973017, "FDA_Category_D_and_X_Top_Rank": -0.0950672, "Placenta_Crossing_L1000_Similarity": 0.373993, "Placenta_Crossing_Structural_Similarity": -0.837818, "Placenta_Crossing_Weighted_Contribution": -0.662186, "Placenta_Crossing_Top_Rank": -0.0847823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:305": { "type": "Drug", "properties": { "id": "CID:305", "label": "choline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/305", "FDA_Category_D_L1000_Similarity": 0.657403, "FDA_Category_D_Structural_Similarity": -0.837913, "FDA_Category_D_Weighted_Contribution": -0.501011, "FDA_Category_D_Top_Rank": -0.0809774, "FDA_Category_X_L1000_Similarity": -0.569013, "FDA_Category_X_Structural_Similarity": -0.761763, "FDA_Category_X_Weighted_Contribution": -0.961, "FDA_Category_X_Top_Rank": -0.0902536, "FDA_Category_D_and_X_L1000_Similarity": 0.393896, "FDA_Category_D_and_X_Structural_Similarity": -1.07611, "FDA_Category_D_and_X_Weighted_Contribution": -0.800086, "FDA_Category_D_and_X_Top_Rank": -0.0875288, "Placenta_Crossing_L1000_Similarity": 0.0362495, "Placenta_Crossing_Structural_Similarity": -0.883898, "Placenta_Crossing_Weighted_Contribution": -0.81356, "Placenta_Crossing_Top_Rank": -0.0880824, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+](C)(C)CCO", "InChI_key": "OEYIOHPDSNJKLS-UHFFFAOYSA-N" } }, "CID:3053": { "type": "Drug", "properties": { "id": "CID:3053", "label": "pentetic acid", "lsm": "LSM-5524", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3053", "FDA_Category_D_L1000_Similarity": 0.889059, "FDA_Category_D_Structural_Similarity": -0.922917, "FDA_Category_D_Weighted_Contribution": -0.460402, "FDA_Category_D_Top_Rank": -0.0720414, "FDA_Category_X_L1000_Similarity": 0.794807, "FDA_Category_X_Structural_Similarity": 2.34943, "FDA_Category_X_Weighted_Contribution": 2.81196, "FDA_Category_X_Top_Rank": 0.084503, "FDA_Category_D_and_X_L1000_Similarity": 1.00775, "FDA_Category_D_and_X_Structural_Similarity": 0.535214, "FDA_Category_D_and_X_Weighted_Contribution": 0.963161, "FDA_Category_D_and_X_Top_Rank": -0.0686608, "Placenta_Crossing_L1000_Similarity": 0.648131, "Placenta_Crossing_Structural_Similarity": -0.414564, "Placenta_Crossing_Weighted_Contribution": -0.210698, "Placenta_Crossing_Top_Rank": -0.0800267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O", "InChI_key": "QPCDCPDFJACHGM-UHFFFAOYSA-N" } }, "CID:3074": { "type": "Drug", "properties": { "id": "CID:3074", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3074", "label": "dilazep", "FDA_Category_D_L1000_Similarity": -1.74454, "FDA_Category_D_Structural_Similarity": -0.278126, "FDA_Category_D_Weighted_Contribution": -1.07446, "FDA_Category_D_Top_Rank": -0.0910118, "FDA_Category_X_L1000_Similarity": 0.252002, "FDA_Category_X_Structural_Similarity": 0.137623, "FDA_Category_X_Weighted_Contribution": 0.136568, "FDA_Category_X_Top_Rank": -0.075833, "FDA_Category_D_and_X_L1000_Similarity": -1.42729, "FDA_Category_D_and_X_Structural_Similarity": -0.146491, "FDA_Category_D_and_X_Weighted_Contribution": -0.859555, "FDA_Category_D_and_X_Top_Rank": -0.0892173, "Placenta_Crossing_L1000_Similarity": -0.641141, "Placenta_Crossing_Structural_Similarity": 1.5603, "Placenta_Crossing_Weighted_Contribution": 1.11705, "Placenta_Crossing_Top_Rank": -0.0156577, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC", "InChI_key": "QVZCXCJXTMIDME-UHFFFAOYSA-N" } }, "CID:3081": { "type": "Drug", "properties": { "id": "CID:3081", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3081", "label": "Dimethadione", "FDA_Category_D_L1000_Similarity": -0.604167, "FDA_Category_D_Structural_Similarity": -0.291757, "FDA_Category_D_Weighted_Contribution": -0.648924, "FDA_Category_D_Top_Rank": -0.0912647, "FDA_Category_X_L1000_Similarity": 1.80922, "FDA_Category_X_Structural_Similarity": -0.640018, "FDA_Category_X_Weighted_Contribution": 0.138185, "FDA_Category_X_Top_Rank": -0.0180322, "FDA_Category_D_and_X_L1000_Similarity": 0.0286252, "FDA_Category_D_and_X_Structural_Similarity": -0.576923, "FDA_Category_D_and_X_Weighted_Contribution": -0.592785, "FDA_Category_D_and_X_Top_Rank": -0.0919477, "Placenta_Crossing_L1000_Similarity": 0.455169, "Placenta_Crossing_Structural_Similarity": -0.952496, "Placenta_Crossing_Weighted_Contribution": -0.714817, "Placenta_Crossing_Top_Rank": -0.0836875, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3083928": { "type": "Drug", "properties": { "id": "CID:3083928", "label": "fraxidin", "lsm": "LSM-3489", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3083928", "FDA_Category_D_L1000_Similarity": 0.366663, "FDA_Category_D_Structural_Similarity": 1.49104, "FDA_Category_D_Weighted_Contribution": 1.66984, "FDA_Category_D_Top_Rank": -0.0175524, "FDA_Category_X_L1000_Similarity": 0.284262, "FDA_Category_X_Structural_Similarity": 0.0292842, "FDA_Category_X_Weighted_Contribution": 0.0441988, "FDA_Category_X_Top_Rank": -0.0790395, "FDA_Category_D_and_X_L1000_Similarity": 0.402398, "FDA_Category_D_and_X_Structural_Similarity": 1.19926, "FDA_Category_D_and_X_Weighted_Contribution": 1.31063, "FDA_Category_D_and_X_Top_Rank": -0.0394569, "Placenta_Crossing_L1000_Similarity": 0.587444, "Placenta_Crossing_Structural_Similarity": -0.25945, "Placenta_Crossing_Weighted_Contribution": -0.0996903, "Placenta_Crossing_Top_Rank": -0.0812609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC", "InChI_key": "RAYQKHLZHPFYEJ-UHFFFAOYSA-N" } }, "CID:30951": { "type": "Drug", "properties": { "id": "CID:30951", "label": "alclofenac", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/30951", "FDA_Category_D_L1000_Similarity": 0.652759, "FDA_Category_D_Structural_Similarity": 0.877456, "FDA_Category_D_Weighted_Contribution": 1.18414, "FDA_Category_D_Top_Rank": -0.0570822, "FDA_Category_X_L1000_Similarity": -0.755895, "FDA_Category_X_Structural_Similarity": -0.15988, "FDA_Category_X_Weighted_Contribution": -0.592835, "FDA_Category_X_Top_Rank": -0.0836209, "FDA_Category_D_and_X_L1000_Similarity": 0.333121, "FDA_Category_D_and_X_Structural_Similarity": 0.610177, "FDA_Category_D_and_X_Weighted_Contribution": 0.643232, "FDA_Category_D_and_X_Top_Rank": -0.0705298, "Placenta_Crossing_L1000_Similarity": -0.0192627, "Placenta_Crossing_Structural_Similarity": 2.22456, "Placenta_Crossing_Weighted_Contribution": 2.14854, "Placenta_Crossing_Top_Rank": 0.0537743, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl", "InChI_key": "ARHWPKZXBHOEEE-UHFFFAOYSA-N" } }, "CID:3125011": { "type": "Drug", "properties": { "id": "CID:3125011", "label": "mw-a1-2", "lsm": "LSM-4792", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3125011", "FDA_Category_D_L1000_Similarity": 0.387651, "FDA_Category_D_Structural_Similarity": -0.614016, "FDA_Category_D_Weighted_Contribution": -0.448009, "FDA_Category_D_Top_Rank": -0.0873818, "FDA_Category_X_L1000_Similarity": 0.71925, "FDA_Category_X_Structural_Similarity": -0.432233, "FDA_Category_X_Weighted_Contribution": -0.190064, "FDA_Category_X_Top_Rank": -0.078785, "FDA_Category_D_and_X_L1000_Similarity": 0.552584, "FDA_Category_D_and_X_Structural_Similarity": -0.720583, "FDA_Category_D_and_X_Weighted_Contribution": -0.478023, "FDA_Category_D_and_X_Top_Rank": -0.0846397, "Placenta_Crossing_L1000_Similarity": 0.725609, "Placenta_Crossing_Structural_Similarity": 1.68335, "Placenta_Crossing_Weighted_Contribution": 1.98438, "Placenta_Crossing_Top_Rank": -0.00333001, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NC3=CC=C(C=C3)Cl", "InChI_key": "UOTFDQYQLUZBMD-UHFFFAOYSA-N" } }, "CID:31275": { "type": "Drug", "properties": { "id": "CID:31275", "label": "1,4-diethylene dioxide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31275", "FDA_Category_D_L1000_Similarity": 0.47492, "FDA_Category_D_Structural_Similarity": -0.920807, "FDA_Category_D_Weighted_Contribution": -0.646812, "FDA_Category_D_Top_Rank": -0.0857463, "FDA_Category_X_L1000_Similarity": 0.144376, "FDA_Category_X_Structural_Similarity": -0.0293923, "FDA_Category_X_Weighted_Contribution": -0.0813019, "FDA_Category_X_Top_Rank": -0.0804969, "FDA_Category_D_and_X_L1000_Similarity": 0.45324, "FDA_Category_D_and_X_Structural_Similarity": -0.746716, "FDA_Category_D_and_X_Weighted_Contribution": -0.54136, "FDA_Category_D_and_X_Top_Rank": -0.0865814, "Placenta_Crossing_L1000_Similarity": -0.0748395, "Placenta_Crossing_Structural_Similarity": -1.05318, "Placenta_Crossing_Weighted_Contribution": -0.956968, "Placenta_Crossing_Top_Rank": -0.0888097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCO1", "InChI_key": "RYHBNJHYFVUHQT-UHFFFAOYSA-N" } }, "CID:3132": { "type": "Drug", "properties": { "id": "CID:3132", "label": "thiorphan", "lsm": "LSM-1652", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3132", "FDA_Category_D_L1000_Similarity": 1.12642, "FDA_Category_D_Structural_Similarity": 0.10973, "FDA_Category_D_Weighted_Contribution": 0.653051, "FDA_Category_D_Top_Rank": -0.055947, "FDA_Category_X_L1000_Similarity": 0.498606, "FDA_Category_X_Structural_Similarity": -0.168075, "FDA_Category_X_Weighted_Contribution": -0.0441093, "FDA_Category_X_Top_Rank": -0.0825263, "FDA_Category_D_and_X_L1000_Similarity": 1.12241, "FDA_Category_D_and_X_Structural_Similarity": -0.00359828, "FDA_Category_D_and_X_Weighted_Contribution": 0.466821, "FDA_Category_D_and_X_Top_Rank": -0.0610399, "Placenta_Crossing_L1000_Similarity": 1.50807, "Placenta_Crossing_Structural_Similarity": -0.913538, "Placenta_Crossing_Weighted_Contribution": -0.265226, "Placenta_Crossing_Top_Rank": -0.0392772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O", "InChI_key": "LJJKNPQAGWVLDQ-UHFFFAOYSA-N" } }, "CID:3156": { "type": "Drug", "properties": { "id": "CID:3156", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3156", "label": "doxapram", "FDA_Category_D_L1000_Similarity": 0.953806, "FDA_Category_D_Structural_Similarity": -0.702203, "FDA_Category_D_Weighted_Contribution": -0.242195, "FDA_Category_D_Top_Rank": -0.0682871, "FDA_Category_X_L1000_Similarity": 2.34244, "FDA_Category_X_Structural_Similarity": -0.677575, "FDA_Category_X_Weighted_Contribution": 0.376027, "FDA_Category_X_Top_Rank": 0.0915208, "FDA_Category_D_and_X_L1000_Similarity": 1.53355, "FDA_Category_D_and_X_Structural_Similarity": -0.922965, "FDA_Category_D_and_X_Weighted_Contribution": -0.189221, "FDA_Category_D_and_X_Top_Rank": -0.0183553, "Placenta_Crossing_L1000_Similarity": 1.2349, "Placenta_Crossing_Structural_Similarity": -0.72634, "Placenta_Crossing_Weighted_Contribution": -0.223046, "Placenta_Crossing_Top_Rank": -0.0599506, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4", "InChI_key": "XFDJYSQDBULQSI-UHFFFAOYSA-N" } }, "CID:3168": { "type": "Drug", "properties": { "id": "CID:3168", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3168", "label": "droperidol", "FDA_Category_D_L1000_Similarity": 1.05286, "FDA_Category_D_Structural_Similarity": -0.489141, "FDA_Category_D_Weighted_Contribution": 0.00505845, "FDA_Category_D_Top_Rank": -0.062144, "FDA_Category_X_L1000_Similarity": 0.51263, "FDA_Category_X_Structural_Similarity": -0.729138, "FDA_Category_X_Weighted_Contribution": -0.539917, "FDA_Category_X_Top_Rank": -0.0823349, "FDA_Category_D_and_X_L1000_Similarity": 1.06326, "FDA_Category_D_and_X_Structural_Similarity": -0.781678, "FDA_Category_D_and_X_Weighted_Contribution": -0.294474, "FDA_Category_D_and_X_Top_Rank": -0.0652927, "Placenta_Crossing_L1000_Similarity": 0.555235, "Placenta_Crossing_Structural_Similarity": -0.99461, "Placenta_Crossing_Weighted_Contribution": -0.7087, "Placenta_Crossing_Top_Rank": -0.0819968, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F", "InChI_key": "RMEDXOLNCUSCGS-UHFFFAOYSA-N" } }, "CID:3177": { "type": "Drug", "properties": { "id": "CID:3177", "label": "dup-697", "lsm": "LSM-2119", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3177", "FDA_Category_D_L1000_Similarity": 0.236017, "FDA_Category_D_Structural_Similarity": -0.956056, "FDA_Category_D_Weighted_Contribution": -0.772459, "FDA_Category_D_Top_Rank": -0.0896897, "FDA_Category_X_L1000_Similarity": -0.331522, "FDA_Category_X_Structural_Similarity": -0.743078, "FDA_Category_X_Weighted_Contribution": -0.868786, "FDA_Category_X_Top_Rank": -0.0893933, "FDA_Category_D_and_X_L1000_Similarity": 0.10277, "FDA_Category_D_and_X_Structural_Similarity": -1.1598, "FDA_Category_D_and_X_Weighted_Contribution": -0.95576, "FDA_Category_D_and_X_Top_Rank": -0.0912866, "Placenta_Crossing_L1000_Similarity": 0.104558, "Placenta_Crossing_Structural_Similarity": -1.10033, "Placenta_Crossing_Weighted_Contribution": -0.93017, "Placenta_Crossing_Top_Rank": -0.0875278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F", "InChI_key": "AJFTZWGGHJXZOB-UHFFFAOYSA-N" } }, "CID:3185": { "type": "Drug", "properties": { "id": "CID:3185", "label": "e-4031", "lsm": "LSM-2928", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3185", "FDA_Category_D_L1000_Similarity": -0.357644, "FDA_Category_D_Structural_Similarity": 0.0769572, "FDA_Category_D_Weighted_Contribution": -0.23235, "FDA_Category_D_Top_Rank": -0.0832412, "FDA_Category_X_L1000_Similarity": 0.660594, "FDA_Category_X_Structural_Similarity": -0.482925, "FDA_Category_X_Weighted_Contribution": -0.263584, "FDA_Category_X_Top_Rank": -0.0799931, "FDA_Category_D_and_X_L1000_Similarity": -0.107685, "FDA_Category_D_and_X_Structural_Similarity": -0.199502, "FDA_Category_D_and_X_Weighted_Contribution": -0.356451, "FDA_Category_D_and_X_Top_Rank": -0.0902293, "Placenta_Crossing_L1000_Similarity": 0.468352, "Placenta_Crossing_Structural_Similarity": -0.0618314, "Placenta_Crossing_Weighted_Contribution": 0.0271347, "Placenta_Crossing_Top_Rank": -0.0834747, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C", "InChI_key": "SRUISGSHWFJION-UHFFFAOYSA-N" } }, "CID:3198": { "type": "Drug", "properties": { "id": "CID:3198", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3198", "label": "econazole", "FDA_Category_D_L1000_Similarity": 1.08224, "FDA_Category_D_Structural_Similarity": -0.52431, "FDA_Category_D_Weighted_Contribution": -0.01188, "FDA_Category_D_Top_Rank": -0.0599559, "FDA_Category_X_L1000_Similarity": 1.75223, "FDA_Category_X_Structural_Similarity": -0.663357, "FDA_Category_X_Weighted_Contribution": 0.0859701, "FDA_Category_X_Top_Rank": -0.0250247, "FDA_Category_D_and_X_L1000_Similarity": 1.46503, "FDA_Category_D_and_X_Structural_Similarity": -0.774096, "FDA_Category_D_and_X_Weighted_Contribution": -0.090992, "FDA_Category_D_and_X_Top_Rank": -0.0278882, "Placenta_Crossing_L1000_Similarity": 0.468148, "Placenta_Crossing_Structural_Similarity": -0.9789, "Placenta_Crossing_Weighted_Contribution": -0.728754, "Placenta_Crossing_Top_Rank": -0.0834829, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl", "InChI_key": "LEZWWPYKPKIXLL-UHFFFAOYSA-N" } }, "CID:3202": { "type": "Drug", "properties": { "id": "CID:3202", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3202", "label": "edrophonium", "FDA_Category_D_L1000_Similarity": 0.271754, "FDA_Category_D_Structural_Similarity": -0.869873, "FDA_Category_D_Weighted_Contribution": -0.69664, "FDA_Category_D_Top_Rank": -0.0892511, "FDA_Category_X_L1000_Similarity": 0.395673, "FDA_Category_X_Structural_Similarity": -0.576663, "FDA_Category_X_Weighted_Contribution": -0.461871, "FDA_Category_X_Top_Rank": -0.0838303, "FDA_Category_D_and_X_L1000_Similarity": 0.354417, "FDA_Category_D_and_X_Structural_Similarity": -1.00159, "FDA_Category_D_and_X_Weighted_Contribution": -0.764939, "FDA_Category_D_and_X_Top_Rank": -0.0881678, "Placenta_Crossing_L1000_Similarity": 0.569907, "Placenta_Crossing_Structural_Similarity": -0.596881, "Placenta_Crossing_Weighted_Contribution": -0.399096, "Placenta_Crossing_Top_Rank": -0.081701, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](C)(C)C1=CC(=CC=C1)O", "InChI_key": "VWLHWLSRQJQWRG-UHFFFAOYSA-O" } }, "CID:3229": { "type": "Drug", "properties": { "id": "CID:3229", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3229", "label": "enoxacin", "FDA_Category_D_L1000_Similarity": 0.776183, "FDA_Category_D_Structural_Similarity": -0.60259, "FDA_Category_D_Weighted_Contribution": -0.246057, "FDA_Category_D_Top_Rank": -0.0768748, "FDA_Category_X_L1000_Similarity": 1.93512, "FDA_Category_X_Structural_Similarity": 0.248728, "FDA_Category_X_Weighted_Contribution": 1.17814, "FDA_Category_X_Top_Rank": 0.000569448, "FDA_Category_D_and_X_L1000_Similarity": 1.25674, "FDA_Category_D_and_X_Structural_Similarity": -0.344071, "FDA_Category_D_and_X_Weighted_Contribution": 0.202848, "FDA_Category_D_and_X_Top_Rank": -0.0509865, "Placenta_Crossing_L1000_Similarity": 1.28117, "Placenta_Crossing_Structural_Similarity": 1.7823, "Placenta_Crossing_Weighted_Contribution": 2.3591, "Placenta_Crossing_Top_Rank": 0.00847422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O", "InChI_key": "IDYZIJYBMGIQMJ-UHFFFAOYSA-N" } }, "CID:3230028": { "type": "Drug", "properties": { "id": "CID:3230028", "label": "ku-c104139", "lsm": "LSM-4157", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3230028", "FDA_Category_D_L1000_Similarity": 0.821775, "FDA_Category_D_Structural_Similarity": -0.784355, "FDA_Category_D_Weighted_Contribution": -0.378865, "FDA_Category_D_Top_Rank": -0.0748997, "FDA_Category_X_L1000_Similarity": 0.892366, "FDA_Category_X_Structural_Similarity": -0.498082, "FDA_Category_X_Weighted_Contribution": -0.170698, "FDA_Category_X_Top_Rank": -0.0746127, "FDA_Category_D_and_X_L1000_Similarity": 0.979388, "FDA_Category_D_and_X_Structural_Similarity": -0.891316, "FDA_Category_D_and_X_Weighted_Contribution": -0.423594, "FDA_Category_D_and_X_Top_Rank": -0.0703074, "Placenta_Crossing_L1000_Similarity": 0.416215, "Placenta_Crossing_Structural_Similarity": -0.881368, "Placenta_Crossing_Weighted_Contribution": -0.67819, "Placenta_Crossing_Top_Rank": -0.0842507, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)OC)C5=CC=CC=C5", "InChI_key": "APQIVKLWLHXSLW-UHFFFAOYSA-N" } }, "CID:3247059": { "type": "Drug", "properties": { "id": "CID:3247059", "label": "epoxycholesterol", "lsm": "LSM-5712", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3247059", "FDA_Category_D_L1000_Similarity": 0.604032, "FDA_Category_D_Structural_Similarity": -0.677084, "FDA_Category_D_Weighted_Contribution": -0.395722, "FDA_Category_D_Top_Rank": -0.0825349, "FDA_Category_X_L1000_Similarity": -1.20936, "FDA_Category_X_Structural_Similarity": -0.00663515, "FDA_Category_X_Weighted_Contribution": -0.650844, "FDA_Category_X_Top_Rank": -0.0799752, "FDA_Category_D_and_X_L1000_Similarity": 0.15343, "FDA_Category_D_and_X_Structural_Similarity": -0.540991, "FDA_Category_D_and_X_Weighted_Contribution": -0.512433, "FDA_Category_D_and_X_Top_Rank": -0.0907663, "Placenta_Crossing_L1000_Similarity": 0.472442, "Placenta_Crossing_Structural_Similarity": -0.747776, "Placenta_Crossing_Weighted_Contribution": -0.557814, "Placenta_Crossing_Top_Rank": -0.0834052, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC1C(O1)(C)C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C", "InChI_key": "OSENKJZWYQXHBN-XVYZBDJZSA-N" } }, "CID:3248571": { "type": "Drug", "properties": { "id": "CID:3248571", "label": "sb-258585", "lsm": "LSM-3812", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3248571", "FDA_Category_D_L1000_Similarity": 0.192842, "FDA_Category_D_Structural_Similarity": 0.591927, "FDA_Category_D_Weighted_Contribution": 0.584821, "FDA_Category_D_Top_Rank": -0.0677068, "FDA_Category_X_L1000_Similarity": -0.719705, "FDA_Category_X_Structural_Similarity": -0.0828767, "FDA_Category_X_Weighted_Contribution": -0.515606, "FDA_Category_X_Top_Rank": -0.0818086, "FDA_Category_D_and_X_L1000_Similarity": -0.052331, "FDA_Category_D_and_X_Structural_Similarity": 0.4251, "FDA_Category_D_and_X_Weighted_Contribution": 0.237303, "FDA_Category_D_and_X_Top_Rank": -0.0761492, "Placenta_Crossing_L1000_Similarity": 0.65658, "Placenta_Crossing_Structural_Similarity": -0.068914, "Placenta_Crossing_Weighted_Contribution": 0.111124, "Placenta_Crossing_Top_Rank": -0.0798645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)I)OC", "InChI_key": "BDHMSYNBSBZCAF-UHFFFAOYSA-N" } }, "CID:3250": { "type": "Drug", "properties": { "id": "CID:3250", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3250", "label": "ergometrine", "FDA_Category_D_L1000_Similarity": 1.00847, "FDA_Category_D_Structural_Similarity": -0.0458915, "FDA_Category_D_Weighted_Contribution": 0.417905, "FDA_Category_D_Top_Rank": -0.0649256, "FDA_Category_X_L1000_Similarity": -0.527699, "FDA_Category_X_Structural_Similarity": 3.61899, "FDA_Category_X_Weighted_Contribution": 3.3179, "FDA_Category_X_Top_Rank": 0.399212, "FDA_Category_D_and_X_L1000_Similarity": 0.709068, "FDA_Category_D_and_X_Structural_Similarity": 1.91637, "FDA_Category_D_and_X_Weighted_Contribution": 2.22516, "FDA_Category_D_and_X_Top_Rank": 0.0256976, "Placenta_Crossing_L1000_Similarity": 0.707223, "Placenta_Crossing_Structural_Similarity": 0.217358, "Placenta_Crossing_Weighted_Contribution": 0.420146, "Placenta_Crossing_Top_Rank": -0.0773304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C", "InChI_key": "WVVSZNPYNCNODU-UHFFFAOYSA-N" } }, "CID:3275": { "type": "Drug", "properties": { "id": "CID:3275", "label": "etafenone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3275", "FDA_Category_D_L1000_Similarity": -0.89402, "FDA_Category_D_Structural_Similarity": -0.557831, "FDA_Category_D_Weighted_Contribution": -0.945424, "FDA_Category_D_Top_Rank": -0.094682, "FDA_Category_X_L1000_Similarity": 0.370321, "FDA_Category_X_Structural_Similarity": 0.274469, "FDA_Category_X_Weighted_Contribution": 0.339224, "FDA_Category_X_Top_Rank": -0.0707565, "FDA_Category_D_and_X_L1000_Similarity": -0.658198, "FDA_Category_D_and_X_Structural_Similarity": -0.294656, "FDA_Category_D_and_X_Weighted_Contribution": -0.667821, "FDA_Category_D_and_X_Top_Rank": -0.0916505, "Placenta_Crossing_L1000_Similarity": -0.551566, "Placenta_Crossing_Structural_Similarity": -0.929319, "Placenta_Crossing_Weighted_Contribution": -1.02653, "Placenta_Crossing_Top_Rank": -0.0909379, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=CC=C2", "InChI_key": "OEGDFSLNGABBKJ-UHFFFAOYSA-N" } }, "CID:3278": { "type": "Drug", "properties": { "id": "CID:3278", "label": "etacrynic acid", "lsm": "LSM-3420", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3278", "FDA_Category_D_L1000_Similarity": 0.518405, "FDA_Category_D_Structural_Similarity": -0.804219, "FDA_Category_D_Weighted_Contribution": -0.538606, "FDA_Category_D_Top_Rank": -0.0848438, "FDA_Category_X_L1000_Similarity": 0.607094, "FDA_Category_X_Structural_Similarity": -0.676253, "FDA_Category_X_Weighted_Contribution": -0.456626, "FDA_Category_X_Top_Rank": -0.0808875, "FDA_Category_D_and_X_L1000_Similarity": 0.631233, "FDA_Category_D_and_X_Structural_Similarity": -1.00322, "FDA_Category_D_and_X_Weighted_Contribution": -0.65759, "FDA_Category_D_and_X_Top_Rank": -0.0827968, "Placenta_Crossing_L1000_Similarity": -0.244257, "Placenta_Crossing_Structural_Similarity": -0.935343, "Placenta_Crossing_Weighted_Contribution": -0.937536, "Placenta_Crossing_Top_Rank": -0.0898028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl", "InChI_key": "AVOLMBLBETYQHX-UHFFFAOYSA-N" } }, "CID:3290": { "type": "Drug", "properties": { "id": "CID:3290", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3290", "label": "profenamine", "FDA_Category_D_L1000_Similarity": -0.166489, "FDA_Category_D_Structural_Similarity": 0.507748, "FDA_Category_D_Weighted_Contribution": 0.281147, "FDA_Category_D_Top_Rank": -0.0707072, "FDA_Category_X_L1000_Similarity": 1.0498, "FDA_Category_X_Structural_Similarity": -0.668889, "FDA_Category_X_Weighted_Contribution": -0.25559, "FDA_Category_X_Top_Rank": -0.0698825, "FDA_Category_D_and_X_L1000_Similarity": 0.175287, "FDA_Category_D_and_X_Structural_Similarity": 0.0420765, "FDA_Category_D_and_X_Weighted_Contribution": -0.00586104, "FDA_Category_D_and_X_Top_Rank": -0.0854409, "Placenta_Crossing_L1000_Similarity": -0.774625, "Placenta_Crossing_Structural_Similarity": -0.599196, "Placenta_Crossing_Weighted_Contribution": -0.895761, "Placenta_Crossing_Top_Rank": -0.0905562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31", "InChI_key": "CDOZDBSBBXSXLB-UHFFFAOYSA-N" } }, "CID:33032": { "type": "Drug", "properties": { "id": "CID:33032", "label": "glutamic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/33032", "FDA_Category_D_L1000_Similarity": 0.331792, "FDA_Category_D_Structural_Similarity": 0.342057, "FDA_Category_D_Weighted_Contribution": 0.409362, "FDA_Category_D_Top_Rank": -0.0759938, "FDA_Category_X_L1000_Similarity": -0.66714, "FDA_Category_X_Structural_Similarity": 0.726967, "FDA_Category_X_Weighted_Contribution": 0.269425, "FDA_Category_X_Top_Rank": -0.0528765, "FDA_Category_D_and_X_L1000_Similarity": 0.0834019, "FDA_Category_D_and_X_Structural_Similarity": 0.663763, "FDA_Category_D_and_X_Weighted_Contribution": 0.553774, "FDA_Category_D_and_X_Top_Rank": -0.0686196, "Placenta_Crossing_L1000_Similarity": -0.239173, "Placenta_Crossing_Structural_Similarity": 0.43183, "Placenta_Crossing_Weighted_Contribution": 0.155806, "Placenta_Crossing_Top_Rank": -0.0715864, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(=O)O)C(C(=O)O)N", "InChI_key": "WHUUTDBJXJRKMK-VKHMYHEASA-N" } }, "CID:3305": { "type": "Drug", "properties": { "id": "CID:3305", "label": "etidronic acid", "lsm": "LSM-5508", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3305", "FDA_Category_D_L1000_Similarity": 0.475081, "FDA_Category_D_Structural_Similarity": 3.38918, "FDA_Category_D_Weighted_Contribution": 3.39045, "FDA_Category_D_Top_Rank": 0.331896, "FDA_Category_X_L1000_Similarity": 0.828374, "FDA_Category_X_Structural_Similarity": -0.651616, "FDA_Category_X_Weighted_Contribution": -0.339506, "FDA_Category_X_Top_Rank": -0.0762149, "FDA_Category_D_and_X_L1000_Similarity": 0.661095, "FDA_Category_D_and_X_Structural_Similarity": 2.33843, "FDA_Category_D_and_X_Weighted_Contribution": 2.5875, "FDA_Category_D_and_X_Top_Rank": 0.0815818, "Placenta_Crossing_L1000_Similarity": 0.118876, "Placenta_Crossing_Structural_Similarity": 0.131225, "Placenta_Crossing_Weighted_Contribution": 0.0419851, "Placenta_Crossing_Top_Rank": -0.0793001, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "DBVJJBKOTRCVKF-UHFFFAOYSA-N" } }, "CID:3335": { "type": "Drug", "properties": { "id": "CID:3335", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3335", "label": "fenbufen", "FDA_Category_D_L1000_Similarity": 1.30777, "FDA_Category_D_Structural_Similarity": -0.0927002, "FDA_Category_D_Weighted_Contribution": 0.551445, "FDA_Category_D_Top_Rank": -0.0368225, "FDA_Category_X_L1000_Similarity": 0.830352, "FDA_Category_X_Structural_Similarity": 0.255316, "FDA_Category_X_Weighted_Contribution": 0.565659, "FDA_Category_X_Top_Rank": -0.0713966, "FDA_Category_D_and_X_L1000_Similarity": 1.37948, "FDA_Category_D_and_X_Structural_Similarity": 0.0641904, "FDA_Category_D_and_X_Weighted_Contribution": 0.685546, "FDA_Category_D_and_X_Top_Rank": -0.0395974, "Placenta_Crossing_L1000_Similarity": 1.59291, "Placenta_Crossing_Structural_Similarity": 0.500723, "Placenta_Crossing_Weighted_Contribution": 1.19681, "Placenta_Crossing_Top_Rank": -0.0296106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O", "InChI_key": "ZPAKPRAICRBAOD-UHFFFAOYSA-N" } }, "CID:3337816": { "type": "Drug", "properties": { "id": "CID:3337816", "label": "ccmq", "lsm": "LSM-2112", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3337816", "FDA_Category_D_L1000_Similarity": 0.74075, "FDA_Category_D_Structural_Similarity": 0.237159, "FDA_Category_D_Weighted_Contribution": 0.549158, "FDA_Category_D_Top_Rank": -0.0782081, "FDA_Category_X_L1000_Similarity": -0.227255, "FDA_Category_X_Structural_Similarity": -0.40179, "FDA_Category_X_Weighted_Contribution": -0.574702, "FDA_Category_X_Top_Rank": -0.0882302, "FDA_Category_D_and_X_L1000_Similarity": 0.569526, "FDA_Category_D_and_X_Structural_Similarity": -0.0285681, "FDA_Category_D_and_X_Weighted_Contribution": 0.135616, "FDA_Category_D_and_X_Top_Rank": -0.0842174, "Placenta_Crossing_L1000_Similarity": 0.408546, "Placenta_Crossing_Structural_Similarity": 0.192305, "Placenta_Crossing_Weighted_Contribution": 0.242954, "Placenta_Crossing_Top_Rank": -0.0779621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=C(C(=N2)C(=O)O)CC(=O)O", "InChI_key": "IFXJDEHFADWURH-UHFFFAOYSA-N" } }, "CID:3338": { "type": "Drug", "properties": { "id": "CID:3338", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3338", "label": "Fenipentol", "FDA_Category_D_L1000_Similarity": 0.208774, "FDA_Category_D_Structural_Similarity": -0.791416, "FDA_Category_D_Weighted_Contribution": -0.666345, "FDA_Category_D_Top_Rank": -0.0901192, "FDA_Category_X_L1000_Similarity": -0.198254, "FDA_Category_X_Structural_Similarity": 1.16447, "FDA_Category_X_Weighted_Contribution": 1.00547, "FDA_Category_X_Top_Rank": -0.0313864, "FDA_Category_D_and_X_L1000_Similarity": 0.119767, "FDA_Category_D_and_X_Structural_Similarity": 0.000183152, "FDA_Category_D_and_X_Weighted_Contribution": -0.0727378, "FDA_Category_D_and_X_Top_Rank": -0.0863468, "Placenta_Crossing_L1000_Similarity": 0.279296, "Placenta_Crossing_Structural_Similarity": -0.283318, "Placenta_Crossing_Weighted_Contribution": -0.259316, "Placenta_Crossing_Top_Rank": -0.085884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3339": { "type": "Drug", "properties": { "id": "CID:3339", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3339", "label": "fenofibrate", "FDA_Category_D_L1000_Similarity": 0.327589, "FDA_Category_D_Structural_Similarity": -0.308112, "FDA_Category_D_Weighted_Contribution": -0.21805, "FDA_Category_D_Top_Rank": -0.0883925, "FDA_Category_X_L1000_Similarity": 0.123762, "FDA_Category_X_Structural_Similarity": -0.246451, "FDA_Category_X_Weighted_Contribution": -0.292633, "FDA_Category_X_Top_Rank": -0.0854717, "FDA_Category_D_and_X_L1000_Similarity": 0.319973, "FDA_Category_D_and_X_Structural_Similarity": -0.377537, "FDA_Category_D_and_X_Weighted_Contribution": -0.305031, "FDA_Category_D_and_X_Top_Rank": -0.0886525, "Placenta_Crossing_L1000_Similarity": 1.42626, "Placenta_Crossing_Structural_Similarity": 0.265069, "Placenta_Crossing_Weighted_Contribution": 0.851924, "Placenta_Crossing_Top_Rank": -0.0463608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl", "InChI_key": "YMTINGFKWWXKFG-UHFFFAOYSA-N" } }, "CID:334007": { "type": "Drug", "properties": { "id": "CID:334007", "label": "SEW-00445", "lsm": "LSM-4699", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/334007", "FDA_Category_D_L1000_Similarity": 0.933911, "FDA_Category_D_Structural_Similarity": -0.0463454, "FDA_Category_D_Weighted_Contribution": 0.37266, "FDA_Category_D_Top_Rank": -0.0694718, "FDA_Category_X_L1000_Similarity": -0.648001, "FDA_Category_X_Structural_Similarity": 1.17354, "FDA_Category_X_Weighted_Contribution": 0.762499, "FDA_Category_X_Top_Rank": -0.030809, "FDA_Category_D_and_X_L1000_Similarity": 0.608262, "FDA_Category_D_and_X_Structural_Similarity": 0.596452, "FDA_Category_D_and_X_Weighted_Contribution": 0.790519, "FDA_Category_D_and_X_Top_Rank": -0.0710016, "Placenta_Crossing_L1000_Similarity": 1.4001, "Placenta_Crossing_Structural_Similarity": -0.676383, "Placenta_Crossing_Weighted_Contribution": -0.103925, "Placenta_Crossing_Top_Rank": -0.0483281, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3342": { "type": "Drug", "properties": { "id": "CID:3342", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3342", "label": "fenoprofen", "FDA_Category_D_L1000_Similarity": -0.0291624, "FDA_Category_D_Structural_Similarity": -0.832852, "FDA_Category_D_Weighted_Contribution": -0.794544, "FDA_Category_D_Top_Rank": -0.0924402, "FDA_Category_X_L1000_Similarity": 0.358466, "FDA_Category_X_Structural_Similarity": -0.657774, "FDA_Category_X_Weighted_Contribution": -0.544636, "FDA_Category_X_Top_Rank": -0.0842971, "FDA_Category_D_and_X_L1000_Similarity": 0.0837259, "FDA_Category_D_and_X_Structural_Similarity": -1.01598, "FDA_Category_D_and_X_Weighted_Contribution": -0.873841, "FDA_Category_D_and_X_Top_Rank": -0.0914644, "Placenta_Crossing_L1000_Similarity": 0.434198, "Placenta_Crossing_Structural_Similarity": -0.894842, "Placenta_Crossing_Weighted_Contribution": -0.681322, "Placenta_Crossing_Top_Rank": -0.083986, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O", "InChI_key": "RDJGLLICXDHJDY-UHFFFAOYSA-N" } }, "CID:3344": { "type": "Drug", "properties": { "id": "CID:3344", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3344", "label": "fenspiride", "ref": "LSM-5410", "FDA_Category_D_L1000_Similarity": 0.752992, "FDA_Category_D_Structural_Similarity": -0.261801, "FDA_Category_D_Weighted_Contribution": 0.0542609, "FDA_Category_D_Top_Rank": -0.0776891, "FDA_Category_X_L1000_Similarity": 0.12329, "FDA_Category_X_Structural_Similarity": 0.272648, "FDA_Category_X_Weighted_Contribution": 0.208623, "FDA_Category_X_Top_Rank": -0.0708246, "FDA_Category_D_and_X_L1000_Similarity": 0.686531, "FDA_Category_D_and_X_Structural_Similarity": -0.060675, "FDA_Category_D_and_X_Weighted_Contribution": 0.167778, "FDA_Category_D_and_X_Top_Rank": -0.0815863, "Placenta_Crossing_L1000_Similarity": -0.145948, "Placenta_Crossing_Structural_Similarity": -0.846758, "Placenta_Crossing_Weighted_Contribution": -0.84998, "Placenta_Crossing_Top_Rank": -0.0892576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3", "InChI_key": "FVNFBBAOMBJTST-UHFFFAOYSA-N" } }, "CID:3371": { "type": "Drug", "properties": { "id": "CID:3371", "label": "flufenamic acid", "lsm": "LSM-2973", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3371", "FDA_Category_D_L1000_Similarity": 0.431942, "FDA_Category_D_Structural_Similarity": -0.60905, "FDA_Category_D_Weighted_Contribution": -0.422758, "FDA_Category_D_Top_Rank": -0.0866211, "FDA_Category_X_L1000_Similarity": 1.37363, "FDA_Category_X_Structural_Similarity": 0.161492, "FDA_Category_X_Weighted_Contribution": 0.762039, "FDA_Category_X_Top_Rank": -0.054746, "FDA_Category_D_and_X_L1000_Similarity": 0.789487, "FDA_Category_D_and_X_Structural_Similarity": -0.39627, "FDA_Category_D_and_X_Weighted_Contribution": -0.0917692, "FDA_Category_D_and_X_Top_Rank": -0.0781543, "Placenta_Crossing_L1000_Similarity": 1.19179, "Placenta_Crossing_Structural_Similarity": 1.27, "Placenta_Crossing_Weighted_Contribution": 1.80178, "Placenta_Crossing_Top_Rank": -0.0349953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F", "InChI_key": "LPEPZBJOKDYZAD-UHFFFAOYSA-N" } }, "CID:3374": { "type": "Drug", "properties": { "id": "CID:3374", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3374", "label": "flumequine", "FDA_Category_D_L1000_Similarity": 0.314105, "FDA_Category_D_Structural_Similarity": 1.71056, "FDA_Category_D_Weighted_Contribution": 1.87078, "FDA_Category_D_Top_Rank": 0.00729849, "FDA_Category_X_L1000_Similarity": -1.37061, "FDA_Category_X_Structural_Similarity": -0.64383, "FDA_Category_X_Weighted_Contribution": -1.13414, "FDA_Category_X_Top_Rank": -0.0914982, "FDA_Category_D_and_X_L1000_Similarity": -0.145472, "FDA_Category_D_and_X_Structural_Similarity": 1.01029, "FDA_Category_D_and_X_Weighted_Contribution": 0.781359, "FDA_Category_D_and_X_Top_Rank": -0.0527202, "Placenta_Crossing_L1000_Similarity": -0.213773, "Placenta_Crossing_Structural_Similarity": -0.434811, "Placenta_Crossing_Weighted_Contribution": -0.584534, "Placenta_Crossing_Top_Rank": -0.0890589, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O", "InChI_key": "DPSPPJIUMHPXMA-UHFFFAOYSA-N" } }, "CID:3386873": { "type": "Drug", "properties": { "id": "CID:3386873", "label": "AH-11110", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3386873", "FDA_Category_D_L1000_Similarity": 0.350666, "FDA_Category_D_Structural_Similarity": 0.00608658, "FDA_Category_D_Weighted_Contribution": 0.0852761, "FDA_Category_D_Top_Rank": -0.0850454, "FDA_Category_X_L1000_Similarity": 1.55117, "FDA_Category_X_Structural_Similarity": -0.579842, "FDA_Category_X_Weighted_Contribution": 0.0688901, "FDA_Category_X_Top_Rank": -0.0437151, "FDA_Category_D_and_X_L1000_Similarity": 0.773335, "FDA_Category_D_and_X_Structural_Similarity": -0.308049, "FDA_Category_D_and_X_Weighted_Contribution": -0.0195893, "FDA_Category_D_and_X_Top_Rank": -0.0786719, "Placenta_Crossing_L1000_Similarity": 0.640322, "Placenta_Crossing_Structural_Similarity": -0.0189717, "Placenta_Crossing_Weighted_Contribution": 0.151322, "Placenta_Crossing_Top_Rank": -0.0801678, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3408722": { "type": "Drug", "properties": { "id": "CID:3408722", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3408722", "label": "nafadotride", "FDA_Category_D_L1000_Similarity": 0.569411, "FDA_Category_D_Structural_Similarity": 2.73734, "FDA_Category_D_Weighted_Contribution": 2.96984, "FDA_Category_D_Top_Rank": 0.172944, "FDA_Category_X_L1000_Similarity": 1.94178, "FDA_Category_X_Structural_Similarity": 0.09979, "FDA_Category_X_Weighted_Contribution": 1.0125, "FDA_Category_X_Top_Rank": 0.0014734, "FDA_Category_D_and_X_L1000_Similarity": 1.08052, "FDA_Category_D_and_X_Structural_Similarity": 2.22651, "FDA_Category_D_and_X_Weighted_Contribution": 2.69275, "FDA_Category_D_and_X_Top_Rank": 0.0653391, "Placenta_Crossing_L1000_Similarity": 0.754244, "Placenta_Crossing_Structural_Similarity": 3.795, "Placenta_Crossing_Weighted_Contribution": 3.61305, "Placenta_Crossing_Top_Rank": 0.443151, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN1CCCC1CNC(=O)C2=C(C3=CC=CC=C3C(=C2)C#N)OC", "InChI_key": "IDZASIQMRGPBCQ-UHFFFAOYSA-N" } }, "CID:3428129": { "type": "Drug", "properties": { "id": "CID:3428129", "label": "ichthynone", "lsm": "LSM-2615", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3428129", "FDA_Category_D_L1000_Similarity": 0.202011, "FDA_Category_D_Structural_Similarity": -0.714194, "FDA_Category_D_Weighted_Contribution": -0.611785, "FDA_Category_D_Top_Rank": -0.0901838, "FDA_Category_X_L1000_Similarity": -1.32124, "FDA_Category_X_Structural_Similarity": -0.401398, "FDA_Category_X_Weighted_Contribution": -0.971412, "FDA_Category_X_Top_Rank": -0.088225, "FDA_Category_D_and_X_L1000_Similarity": -0.2271, "FDA_Category_D_and_X_Structural_Similarity": -0.783458, "FDA_Category_D_and_X_Weighted_Contribution": -0.836487, "FDA_Category_D_and_X_Top_Rank": -0.0938059, "Placenta_Crossing_L1000_Similarity": -0.112267, "Placenta_Crossing_Structural_Similarity": -0.287314, "Placenta_Crossing_Weighted_Contribution": -0.428828, "Placenta_Crossing_Top_Rank": -0.0872867, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C(=CO3)C4=CC5=C(C=C4OC)OCO5)C", "InChI_key": "NPYOKEDYJXYSTA-UHFFFAOYSA-N" } }, "CID:34312": { "type": "Drug", "properties": { "id": "CID:34312", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/34312", "label": "oxcarbazepine", "ref": "LSM-5219", "FDA_Category_D_L1000_Similarity": 0.462546, "FDA_Category_D_Structural_Similarity": 1.352, "FDA_Category_D_Weighted_Contribution": 1.58041, "FDA_Category_D_Top_Rank": -0.0309913, "FDA_Category_X_L1000_Similarity": 0.226986, "FDA_Category_X_Structural_Similarity": -0.653969, "FDA_Category_X_Weighted_Contribution": -0.594629, "FDA_Category_X_Top_Rank": -0.0856812, "FDA_Category_D_and_X_L1000_Similarity": 0.467645, "FDA_Category_D_and_X_Structural_Similarity": 0.720223, "FDA_Category_D_and_X_Weighted_Contribution": 0.838024, "FDA_Category_D_and_X_Top_Rank": -0.0667023, "Placenta_Crossing_L1000_Similarity": 0.998623, "Placenta_Crossing_Structural_Similarity": 1.31054, "Placenta_Crossing_Weighted_Contribution": 1.74154, "Placenta_Crossing_Top_Rank": -0.0322922, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N", "InChI_key": "CTRLABGOLIVAIY-UHFFFAOYSA-N" } }, "CID:34359": { "type": "Drug", "properties": { "id": "CID:34359", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/34359", "label": "carbidopa", "ref": "LSM-5850", "FDA_Category_D_L1000_Similarity": 0.889453, "FDA_Category_D_Structural_Similarity": 1.19222, "FDA_Category_D_Weighted_Contribution": 1.6777, "FDA_Category_D_Top_Rank": -0.0403735, "FDA_Category_X_L1000_Similarity": 0.529649, "FDA_Category_X_Structural_Similarity": 0.940878, "FDA_Category_X_Weighted_Contribution": 1.16542, "FDA_Category_X_Top_Rank": -0.0437151, "FDA_Category_D_and_X_L1000_Similarity": 0.927559, "FDA_Category_D_and_X_Structural_Similarity": 1.45397, "FDA_Category_D_and_X_Weighted_Contribution": 1.88775, "FDA_Category_D_and_X_Top_Rank": -0.0197073, "Placenta_Crossing_L1000_Similarity": 0.813298, "Placenta_Crossing_Structural_Similarity": 1.13233, "Placenta_Crossing_Weighted_Contribution": 1.45165, "Placenta_Crossing_Top_Rank": -0.0437966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN", "InChI_key": "TZFNLOMSOLWIDK-JTQLQIEISA-N" } }, "CID:3440": { "type": "Drug", "properties": { "id": "CID:3440", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3440", "label": "furosemide", "ref": "LSM-5847", "FDA_Category_D_L1000_Similarity": 0.0596047, "FDA_Category_D_Structural_Similarity": 0.0847123, "FDA_Category_D_Weighted_Contribution": -0.00229069, "FDA_Category_D_Top_Rank": -0.0829971, "FDA_Category_X_L1000_Similarity": 0.554384, "FDA_Category_X_Structural_Similarity": -0.137593, "FDA_Category_X_Weighted_Contribution": 0.012897, "FDA_Category_X_Top_Rank": -0.0817458, "FDA_Category_D_and_X_L1000_Similarity": 0.219735, "FDA_Category_D_and_X_Structural_Similarity": -0.00700719, "FDA_Category_D_and_X_Weighted_Contribution": -0.0281327, "FDA_Category_D_and_X_Top_Rank": -0.0865103, "Placenta_Crossing_L1000_Similarity": -0.529995, "Placenta_Crossing_Structural_Similarity": 0.156267, "Placenta_Crossing_Weighted_Contribution": -0.234156, "Placenta_Crossing_Top_Rank": -0.0787215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl", "InChI_key": "ZZUFCTLCJUWOSV-UHFFFAOYSA-N" } }, "CID:3446": { "type": "Drug", "properties": { "id": "CID:3446", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3446", "label": "gabapentin", "FDA_Category_D_L1000_Similarity": 0.606754, "FDA_Category_D_Structural_Similarity": -0.797536, "FDA_Category_D_Weighted_Contribution": -0.492476, "FDA_Category_D_Top_Rank": -0.0824309, "FDA_Category_X_L1000_Similarity": 1.22649, "FDA_Category_X_Structural_Similarity": -0.33243, "FDA_Category_X_Weighted_Contribution": 0.15441, "FDA_Category_X_Top_Rank": -0.0630213, "FDA_Category_D_and_X_L1000_Similarity": 0.895492, "FDA_Category_D_and_X_Structural_Similarity": -0.812392, "FDA_Category_D_and_X_Weighted_Contribution": -0.39783, "FDA_Category_D_and_X_Top_Rank": -0.0742619, "Placenta_Crossing_L1000_Similarity": 1.03049, "Placenta_Crossing_Structural_Similarity": -0.146377, "Placenta_Crossing_Weighted_Contribution": 0.220138, "Placenta_Crossing_Top_Rank": -0.0694009, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)(CC(=O)O)CN", "InChI_key": "UGJMXCAKCUNAIE-UHFFFAOYSA-N" } }, "CID:3454": { "type": "Drug", "properties": { "id": "CID:3454", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3454", "label": "ganciclovir", "ref": "LSM-5382", "FDA_Category_D_L1000_Similarity": 1.76611, "FDA_Category_D_Structural_Similarity": -0.618739, "FDA_Category_D_Weighted_Contribution": 0.286387, "FDA_Category_D_Top_Rank": 0.060936, "FDA_Category_X_L1000_Similarity": 0.597872, "FDA_Category_X_Structural_Similarity": -0.337088, "FDA_Category_X_Weighted_Contribution": -0.157935, "FDA_Category_X_Top_Rank": -0.081021, "FDA_Category_D_and_X_L1000_Similarity": 1.70398, "FDA_Category_D_and_X_Structural_Similarity": -0.672993, "FDA_Category_D_and_X_Weighted_Contribution": 0.1275, "FDA_Category_D_and_X_Top_Rank": 0.0127197, "Placenta_Crossing_L1000_Similarity": 1.36393, "Placenta_Crossing_Structural_Similarity": 2.47211, "Placenta_Crossing_Weighted_Contribution": 2.98446, "Placenta_Crossing_Top_Rank": 0.0846055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N", "InChI_key": "IRSCQMHQWWYFCW-UHFFFAOYSA-N" } }, "CID:3473417": { "type": "Drug", "properties": { "id": "CID:3473417", "label": "VU-0447126-2", "lsm": "LSM-1381", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3473417", "FDA_Category_D_L1000_Similarity": 0.703634, "FDA_Category_D_Structural_Similarity": -0.143541, "FDA_Category_D_Weighted_Contribution": 0.140648, "FDA_Category_D_Top_Rank": -0.0794615, "FDA_Category_X_L1000_Similarity": 0.652416, "FDA_Category_X_Structural_Similarity": 0.0188187, "FDA_Category_X_Weighted_Contribution": 0.219892, "FDA_Category_X_Top_Rank": -0.0793258, "FDA_Category_D_and_X_L1000_Similarity": 0.804674, "FDA_Category_D_and_X_Structural_Similarity": -0.103776, "FDA_Category_D_and_X_Weighted_Contribution": 0.190125, "FDA_Category_D_and_X_Top_Rank": -0.0775351, "Placenta_Crossing_L1000_Similarity": 0.811438, "Placenta_Crossing_Structural_Similarity": 0.105459, "Placenta_Crossing_Weighted_Contribution": 0.360296, "Placenta_Crossing_Top_Rank": -0.0760246, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3532": { "type": "Drug", "properties": { "id": "CID:3532", "label": "guvacine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3532", "FDA_Category_D_L1000_Similarity": 0.730196, "FDA_Category_D_Structural_Similarity": -0.314217, "FDA_Category_D_Weighted_Contribution": -0.00817239, "FDA_Category_D_Top_Rank": -0.0786648, "FDA_Category_X_L1000_Similarity": 0.223446, "FDA_Category_X_Structural_Similarity": -0.521497, "FDA_Category_X_Weighted_Contribution": -0.487919, "FDA_Category_X_Top_Rank": -0.0857089, "FDA_Category_D_and_X_L1000_Similarity": 0.697294, "FDA_Category_D_and_X_Structural_Similarity": -0.530796, "FDA_Category_D_and_X_Weighted_Contribution": -0.255574, "FDA_Category_D_and_X_Top_Rank": -0.0812854, "Placenta_Crossing_L1000_Similarity": 0.449364, "Placenta_Crossing_Structural_Similarity": 2.16548, "Placenta_Crossing_Weighted_Contribution": 2.32226, "Placenta_Crossing_Top_Rank": 0.0496186, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCC(=C1)C(=O)O", "InChI_key": "QTDZOWFRBNTPQR-UHFFFAOYSA-N" } }, "CID:35375": { "type": "Drug", "properties": { "id": "CID:35375", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID35375", "label": "etofenamate", "FDA_Category_D_L1000_Similarity": 0.222586, "FDA_Category_D_Structural_Similarity": -0.778061, "FDA_Category_D_Weighted_Contribution": -0.650531, "FDA_Category_D_Top_Rank": -0.089952, "FDA_Category_X_L1000_Similarity": 1.0917, "FDA_Category_X_Structural_Similarity": -0.271308, "FDA_Category_X_Weighted_Contribution": 0.14798, "FDA_Category_X_Top_Rank": -0.0683966, "FDA_Category_D_and_X_L1000_Similarity": 0.52341, "FDA_Category_D_and_X_Structural_Similarity": -0.763954, "FDA_Category_D_and_X_Weighted_Contribution": -0.524434, "FDA_Category_D_and_X_Top_Rank": -0.0852389, "Placenta_Crossing_L1000_Similarity": 1.36134, "Placenta_Crossing_Structural_Similarity": -0.342524, "Placenta_Crossing_Weighted_Contribution": 0.192397, "Placenta_Crossing_Top_Rank": -0.0516871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F", "InChI_key": "XILVEPYQJIOVNB-UHFFFAOYSA-N" } }, "CID:353825": { "type": "Drug", "properties": { "id": "CID:353825", "label": "graveoline", "lsm": "LSM-4078", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/353825", "FDA_Category_D_L1000_Similarity": 0.703562, "FDA_Category_D_Structural_Similarity": 1.35649, "FDA_Category_D_Weighted_Contribution": 1.73708, "FDA_Category_D_Top_Rank": -0.030627, "FDA_Category_X_L1000_Similarity": -0.908625, "FDA_Category_X_Structural_Similarity": 0.39116, "FDA_Category_X_Weighted_Contribution": -0.181881, "FDA_Category_X_Top_Rank": -0.0662329, "FDA_Category_D_and_X_L1000_Similarity": 0.330545, "FDA_Category_D_and_X_Structural_Similarity": 1.28773, "FDA_Category_D_and_X_Weighted_Contribution": 1.36216, "FDA_Category_D_and_X_Top_Rank": -0.0329352, "Placenta_Crossing_L1000_Similarity": 0.389741, "Placenta_Crossing_Structural_Similarity": -1.08668, "Placenta_Crossing_Weighted_Contribution": -0.829112, "Placenta_Crossing_Top_Rank": -0.0845829, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4", "InChI_key": "COBBNRKBTCBWQP-UHFFFAOYSA-N" } }, "CID:3542": { "type": "Drug", "properties": { "id": "CID:3542", "label": "5-(2-methylpiperazine-1-sulfonyl)isoquinoline", "lsm": "LSM-5082", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3542", "FDA_Category_D_L1000_Similarity": 0.679482, "FDA_Category_D_Structural_Similarity": -0.63931, "FDA_Category_D_Weighted_Contribution": -0.32677, "FDA_Category_D_Top_Rank": -0.0803715, "FDA_Category_X_L1000_Similarity": -0.429849, "FDA_Category_X_Structural_Similarity": -0.600658, "FDA_Category_X_Weighted_Contribution": -0.803186, "FDA_Category_X_Top_Rank": -0.0897887, "FDA_Category_D_and_X_L1000_Similarity": 0.455184, "FDA_Category_D_and_X_Structural_Similarity": -0.831542, "FDA_Category_D_and_X_Weighted_Contribution": -0.604293, "FDA_Category_D_and_X_Top_Rank": -0.0865245, "Placenta_Crossing_L1000_Similarity": 0.527186, "Placenta_Crossing_Structural_Similarity": 1.70918, "Placenta_Crossing_Weighted_Contribution": 1.90768, "Placenta_Crossing_Top_Rank": -0.000232316, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3", "InChI_key": "BDVFVCGFMNCYPV-UHFFFAOYSA-N" } }, "CID:3561": { "type": "Drug", "properties": { "id": "CID:3561", "label": "haloprogin", "lsm": "LSM-5310", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3561", "IDG_ID": "1355", "FDA_Category_D_L1000_Similarity": -2.19264, "FDA_Category_D_Structural_Similarity": -0.545713, "FDA_Category_D_Weighted_Contribution": -1.33737, "FDA_Category_D_Top_Rank": -0.0945839, "FDA_Category_X_L1000_Similarity": -1.78937, "FDA_Category_X_Structural_Similarity": -0.583874, "FDA_Category_X_Weighted_Contribution": -1.21683, "FDA_Category_X_Top_Rank": -0.0908939, "FDA_Category_D_and_X_L1000_Similarity": -2.43349, "FDA_Category_D_and_X_Structural_Similarity": -0.748196, "FDA_Category_D_and_X_Weighted_Contribution": -1.43467, "FDA_Category_D_and_X_Top_Rank": -0.0956836, "Placenta_Crossing_L1000_Similarity": -2.59891, "Placenta_Crossing_Structural_Similarity": 1.23857, "Placenta_Crossing_Weighted_Contribution": -0.205534, "Placenta_Crossing_Top_Rank": -0.0372112, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI", "InChI_key": "CTETYYAZBPJBHE-UHFFFAOYSA-N" } }, "CID:3563638": { "type": "Drug", "properties": { "id": "CID:3563638", "label": "l-732138", "lsm": "LSM-1945", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3563638", "FDA_Category_D_L1000_Similarity": 0.691719, "FDA_Category_D_Structural_Similarity": 0.239742, "FDA_Category_D_Weighted_Contribution": 0.5218, "FDA_Category_D_Top_Rank": -0.078851, "FDA_Category_X_L1000_Similarity": -0.348773, "FDA_Category_X_Structural_Similarity": 0.321042, "FDA_Category_X_Weighted_Contribution": 0.0194814, "FDA_Category_X_Top_Rank": -0.0688571, "FDA_Category_D_and_X_L1000_Similarity": 0.490356, "FDA_Category_D_and_X_Structural_Similarity": 0.363519, "FDA_Category_D_and_X_Weighted_Contribution": 0.479866, "FDA_Category_D_and_X_Top_Rank": -0.0779257, "Placenta_Crossing_L1000_Similarity": 1.31074, "Placenta_Crossing_Structural_Similarity": 0.141116, "Placenta_Crossing_Weighted_Contribution": 0.658309, "Placenta_Crossing_Top_Rank": -0.0547288, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F", "InChI_key": "BYYQYXVAWXAYQC-UHFFFAOYSA-N" } }, "CID:3567002": { "type": "Drug", "properties": { "id": "CID:3567002", "label": "rs-100329", "lsm": "LSM-2172", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3567002", "FDA_Category_D_L1000_Similarity": 1.08367, "FDA_Category_D_Structural_Similarity": -0.529337, "FDA_Category_D_Weighted_Contribution": -0.0158215, "FDA_Category_D_Top_Rank": -0.059793, "FDA_Category_X_L1000_Similarity": 0.123526, "FDA_Category_X_Structural_Similarity": -0.439806, "FDA_Category_X_Weighted_Contribution": -0.461303, "FDA_Category_X_Top_Rank": -0.0866665, "FDA_Category_D_and_X_L1000_Similarity": 0.97166, "FDA_Category_D_and_X_Structural_Similarity": -0.657459, "FDA_Category_D_and_X_Weighted_Contribution": -0.232239, "FDA_Category_D_and_X_Top_Rank": -0.0706399, "Placenta_Crossing_L1000_Similarity": 1.29041, "Placenta_Crossing_Structural_Similarity": 0.58282, "Placenta_Crossing_Weighted_Contribution": 1.11966, "Placenta_Crossing_Top_Rank": -0.0562859, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CNC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F", "InChI_key": "RCOBWVAGWYRNHZ-UHFFFAOYSA-N" } }, "CID:3579925": { "type": "Drug", "properties": { "id": "CID:3579925", "label": "phccc", "lsm": "LSM-1591", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3579925", "FDA_Category_D_L1000_Similarity": -0.238554, "FDA_Category_D_Structural_Similarity": -0.228617, "FDA_Category_D_Weighted_Contribution": -0.432758, "FDA_Category_D_Top_Rank": -0.0900719, "FDA_Category_X_L1000_Similarity": 2.31704, "FDA_Category_X_Structural_Similarity": 0.544387, "FDA_Category_X_Weighted_Contribution": 1.73134, "FDA_Category_X_Top_Rank": 0.0820782, "FDA_Category_D_and_X_L1000_Similarity": 0.498005, "FDA_Category_D_and_X_Structural_Similarity": 0.112293, "FDA_Category_D_and_X_Weighted_Contribution": 0.233092, "FDA_Category_D_and_X_Top_Rank": -0.0837557, "Placenta_Crossing_L1000_Similarity": 1.20182, "Placenta_Crossing_Structural_Similarity": -0.193772, "Placenta_Crossing_Weighted_Contribution": 0.259131, "Placenta_Crossing_Top_Rank": -0.0616406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2C1(OC3=CC=CC=C3C2=NO)C(=O)NC4=CC=CC=C4", "InChI_key": "FPXPIEZPAXSELW-UHFFFAOYSA-N" } }, "CID:35802": { "type": "Drug", "properties": { "id": "CID:35802", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID35802", "label": "flubendazole", "FDA_Category_D_L1000_Similarity": -0.662608, "FDA_Category_D_Structural_Similarity": -0.0351842, "FDA_Category_D_Weighted_Contribution": -0.477244, "FDA_Category_D_Top_Rank": -0.085944, "FDA_Category_X_L1000_Similarity": -0.335158, "FDA_Category_X_Structural_Similarity": 0.138721, "FDA_Category_X_Weighted_Contribution": -0.149559, "FDA_Category_X_Top_Rank": -0.0757968, "FDA_Category_D_and_X_L1000_Similarity": -0.672959, "FDA_Category_D_and_X_Structural_Similarity": 0.0469271, "FDA_Category_D_and_X_Weighted_Contribution": -0.413939, "FDA_Category_D_and_X_Top_Rank": -0.0853867, "Placenta_Crossing_L1000_Similarity": -1.27266, "Placenta_Crossing_Structural_Similarity": -0.501305, "Placenta_Crossing_Weighted_Contribution": -0.990316, "Placenta_Crossing_Top_Rank": -0.0897147, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F", "InChI_key": "CPEUVMUXAHMANV-UHFFFAOYSA-N" } }, "CID:3590": { "type": "Drug", "properties": { "id": "CID:3590", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3590", "label": "heptaminol", "FDA_Category_D_L1000_Similarity": 0.317925, "FDA_Category_D_Structural_Similarity": 2.91784, "FDA_Category_D_Weighted_Contribution": 2.99589, "FDA_Category_D_Top_Rank": 0.203947, "FDA_Category_X_L1000_Similarity": -0.637059, "FDA_Category_X_Structural_Similarity": -0.502687, "FDA_Category_X_Weighted_Contribution": -0.807282, "FDA_Category_X_Top_Rank": -0.0898753, "FDA_Category_D_and_X_L1000_Similarity": 0.0805888, "FDA_Category_D_and_X_Structural_Similarity": 2.04468, "FDA_Category_D_and_X_Weighted_Contribution": 2.00509, "FDA_Category_D_and_X_Top_Rank": 0.0412241, "Placenta_Crossing_L1000_Similarity": -0.278728, "Placenta_Crossing_Structural_Similarity": 1.69148, "Placenta_Crossing_Weighted_Contribution": 1.4572, "Placenta_Crossing_Top_Rank": -0.00231942, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCCC(C)(C)O)N", "InChI_key": "LREQLEBVOXIEOM-UHFFFAOYSA-N" } }, "CID:3600": { "type": "Drug", "properties": { "id": "CID:3600", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3600", "label": "Miltefosine", "FDA_Category_D_L1000_Similarity": -0.51426, "FDA_Category_D_Structural_Similarity": 0.955476, "FDA_Category_D_Weighted_Contribution": 0.531768, "FDA_Category_D_Top_Rank": -0.0524488, "FDA_Category_X_L1000_Similarity": -0.934472, "FDA_Category_X_Structural_Similarity": -0.645953, "FDA_Category_X_Weighted_Contribution": -1.00402, "FDA_Category_X_Top_Rank": -0.09116, "FDA_Category_D_and_X_L1000_Similarity": -0.727084, "FDA_Category_D_and_X_Structural_Similarity": 0.409821, "FDA_Category_D_and_X_Weighted_Contribution": -0.131287, "FDA_Category_D_and_X_Top_Rank": -0.0766074, "Placenta_Crossing_L1000_Similarity": -0.527738, "Placenta_Crossing_Structural_Similarity": 1.42694, "Placenta_Crossing_Weighted_Contribution": 1.03518, "Placenta_Crossing_Top_Rank": -0.0252522, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3604": { "type": "Drug", "properties": { "id": "CID:3604", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3604", "label": "hexamethonium", "FDA_Category_D_L1000_Similarity": 0.157511, "FDA_Category_D_Structural_Similarity": -0.405989, "FDA_Category_D_Weighted_Contribution": -0.387723, "FDA_Category_D_Top_Rank": -0.0906834, "FDA_Category_X_L1000_Similarity": -0.526973, "FDA_Category_X_Structural_Similarity": -0.714056, "FDA_Category_X_Weighted_Contribution": -0.915581, "FDA_Category_X_Top_Rank": -0.0901164, "FDA_Category_D_and_X_L1000_Similarity": -0.0242472, "FDA_Category_D_and_X_Structural_Similarity": -0.70754, "FDA_Category_D_and_X_Weighted_Contribution": -0.708562, "FDA_Category_D_and_X_Top_Rank": -0.0924021, "Placenta_Crossing_L1000_Similarity": 0.11197, "Placenta_Crossing_Structural_Similarity": -0.731486, "Placenta_Crossing_Weighted_Contribution": -0.681403, "Placenta_Crossing_Top_Rank": -0.0874311, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+](C)(C)CCCCCC[N+](C)(C)C", "InChI_key": "VZJFGSRCJCXDSG-UHFFFAOYSA-N" } }, "CID:3611": { "type": "Drug", "properties": { "id": "CID:3611", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3611", "label": "hinokitiol", "FDA_Category_D_L1000_Similarity": -2.78239, "FDA_Category_D_Structural_Similarity": -0.782891, "FDA_Category_D_Weighted_Contribution": -1.55442, "FDA_Category_D_Top_Rank": -0.0964036, "FDA_Category_X_L1000_Similarity": -0.792938, "FDA_Category_X_Structural_Similarity": -0.414842, "FDA_Category_X_Weighted_Contribution": -0.800226, "FDA_Category_X_Top_Rank": -0.0884722, "FDA_Category_D_and_X_L1000_Similarity": -2.63927, "FDA_Category_D_and_X_Structural_Similarity": -0.845238, "FDA_Category_D_and_X_Weighted_Contribution": -1.50734, "FDA_Category_D_and_X_Top_Rank": -0.0961633, "Placenta_Crossing_L1000_Similarity": -3.25545, "Placenta_Crossing_Structural_Similarity": -0.369812, "Placenta_Crossing_Weighted_Contribution": -1.41214, "Placenta_Crossing_Top_Rank": -0.0883669, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC(=O)C(=CC=C1)O", "InChI_key": "FUWUEFKEXZQKKA-UHFFFAOYSA-N" } }, "CID:3645619": { "type": "Drug", "properties": { "id": "CID:3645619", "label": "pd-168077", "lsm": "LSM-5586", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3645619", "FDA_Category_D_L1000_Similarity": 1.92433, "FDA_Category_D_Structural_Similarity": -0.805152, "FDA_Category_D_Weighted_Contribution": 0.192905, "FDA_Category_D_Top_Rank": 0.139162, "FDA_Category_X_L1000_Similarity": 0.0947155, "FDA_Category_X_Structural_Similarity": -0.711061, "FDA_Category_X_Weighted_Contribution": -0.690733, "FDA_Category_X_Top_Rank": -0.0868994, "FDA_Category_D_and_X_L1000_Similarity": 1.68757, "FDA_Category_D_and_X_Structural_Similarity": -1.02275, "FDA_Category_D_and_X_Weighted_Contribution": -0.200968, "FDA_Category_D_and_X_Top_Rank": 0.00716487, "Placenta_Crossing_L1000_Similarity": 0.895048, "Placenta_Crossing_Structural_Similarity": -1.03129, "Placenta_Crossing_Weighted_Contribution": -0.610024, "Placenta_Crossing_Top_Rank": -0.0737581, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N", "InChI_key": "DNULYRGWTFLJQL-UHFFFAOYSA-N" } }, "CID:3655": { "type": "Drug", "properties": { "id": "CID:3655", "label": "velnacrine", "lsm": "LSM-1959", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3655", "IDG_ID": "3848", "FDA_Category_D_L1000_Similarity": 0.824097, "FDA_Category_D_Structural_Similarity": -0.762389, "FDA_Category_D_Weighted_Contribution": -0.359297, "FDA_Category_D_Top_Rank": -0.0747462, "FDA_Category_X_L1000_Similarity": 1.20275, "FDA_Category_X_Structural_Similarity": 0.0688872, "FDA_Category_X_Weighted_Contribution": 0.56557, "FDA_Category_X_Top_Rank": -0.0640489, "FDA_Category_D_and_X_L1000_Similarity": 1.07564, "FDA_Category_D_and_X_Structural_Similarity": -0.567947, "FDA_Category_D_and_X_Weighted_Contribution": -0.101922, "FDA_Category_D_and_X_Top_Rank": -0.0645331, "Placenta_Crossing_L1000_Similarity": 1.12701, "Placenta_Crossing_Structural_Similarity": -0.24343, "Placenta_Crossing_Weighted_Contribution": 0.173109, "Placenta_Crossing_Top_Rank": -0.0655688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O", "InChI_key": "HLVVITIHAZBPKB-UHFFFAOYSA-N" } }, "CID:3658": { "type": "Drug", "properties": { "id": "CID:3658", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3658", "label": "hydroxyzine", "FDA_Category_D_L1000_Similarity": -0.369726, "FDA_Category_D_Structural_Similarity": -0.713598, "FDA_Category_D_Weighted_Contribution": -0.848487, "FDA_Category_D_Top_Rank": -0.0945788, "FDA_Category_X_L1000_Similarity": -0.647951, "FDA_Category_X_Structural_Similarity": -0.518884, "FDA_Category_X_Weighted_Contribution": -0.822705, "FDA_Category_X_Top_Rank": -0.0900822, "FDA_Category_D_and_X_L1000_Similarity": -0.515476, "FDA_Category_D_and_X_Structural_Similarity": -0.84638, "FDA_Category_D_and_X_Weighted_Contribution": -0.975425, "FDA_Category_D_and_X_Top_Rank": -0.0951266, "Placenta_Crossing_L1000_Similarity": -0.333053, "Placenta_Crossing_Structural_Similarity": -0.247944, "Placenta_Crossing_Weighted_Contribution": -0.486916, "Placenta_Crossing_Top_Rank": -0.0866738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "InChI_key": "ZQDWXGKKHFNSQK-UHFFFAOYSA-N" } }, "CID:3683": { "type": "Drug", "properties": { "id": "CID:3683", "label": "ici-204448", "lsm": "LSM-1502", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3683", "FDA_Category_D_L1000_Similarity": 1.948, "FDA_Category_D_Structural_Similarity": -0.876146, "FDA_Category_D_Weighted_Contribution": 0.136817, "FDA_Category_D_Top_Rank": 0.159077, "FDA_Category_X_L1000_Similarity": 1.05337, "FDA_Category_X_Structural_Similarity": -0.208197, "FDA_Category_X_Weighted_Contribution": 0.19279, "FDA_Category_X_Top_Rank": -0.0697216, "FDA_Category_D_and_X_L1000_Similarity": 1.9991, "FDA_Category_D_and_X_Structural_Similarity": -0.807751, "FDA_Category_D_and_X_Weighted_Contribution": 0.156902, "FDA_Category_D_and_X_Top_Rank": 0.0963261, "Placenta_Crossing_L1000_Similarity": 1.23301, "Placenta_Crossing_Structural_Similarity": -0.995219, "Placenta_Crossing_Weighted_Contribution": -0.449334, "Placenta_Crossing_Top_Rank": -0.0601131, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl", "InChI_key": "JKYJSFISYHSNOE-UHFFFAOYSA-N" } }, "CID:3689": { "type": "Drug", "properties": { "id": "CID:3689", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3689", "label": "ifenprodil", "FDA_Category_D_L1000_Similarity": -0.0033638, "FDA_Category_D_Structural_Similarity": -0.714428, "FDA_Category_D_Weighted_Contribution": -0.700727, "FDA_Category_D_Top_Rank": -0.0921917, "FDA_Category_X_L1000_Similarity": 0.349344, "FDA_Category_X_Structural_Similarity": -0.506397, "FDA_Category_X_Weighted_Contribution": -0.421806, "FDA_Category_X_Top_Rank": -0.0843963, "FDA_Category_D_and_X_L1000_Similarity": 0.103181, "FDA_Category_D_and_X_Structural_Similarity": -0.8403, "FDA_Category_D_and_X_Weighted_Contribution": -0.751007, "FDA_Category_D_and_X_Top_Rank": -0.0912842, "Placenta_Crossing_L1000_Similarity": -0.276197, "Placenta_Crossing_Structural_Similarity": 0.933139, "Placenta_Crossing_Weighted_Contribution": 0.644613, "Placenta_Crossing_Top_Rank": -0.0531276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3", "InChI_key": "UYNVMODNBIQBMV-UHFFFAOYSA-N" } }, "CID:3715": { "type": "Drug", "properties": { "id": "CID:3715", "label": "indomethacin", "lsm": "LSM-3275", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3715", "FDA_Category_D_L1000_Similarity": 1.13795, "FDA_Category_D_Structural_Similarity": 0.074875, "FDA_Category_D_Weighted_Contribution": 0.623251, "FDA_Category_D_Top_Rank": -0.0547545, "FDA_Category_X_L1000_Similarity": -0.473078, "FDA_Category_X_Structural_Similarity": -0.454455, "FDA_Category_X_Weighted_Contribution": -0.711581, "FDA_Category_X_Top_Rank": -0.0891265, "FDA_Category_D_and_X_L1000_Similarity": 0.837262, "FDA_Category_D_and_X_Structural_Similarity": -0.185793, "FDA_Category_D_and_X_Weighted_Contribution": 0.128787, "FDA_Category_D_and_X_Top_Rank": -0.0764728, "Placenta_Crossing_L1000_Similarity": 0.481788, "Placenta_Crossing_Structural_Similarity": -0.401574, "Placenta_Crossing_Weighted_Contribution": -0.272689, "Placenta_Crossing_Top_Rank": -0.0832766, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O", "InChI_key": "CGIGDMFJXJATDK-UHFFFAOYSA-N" } }, "CID:3718": { "type": "Drug", "properties": { "id": "CID:3718", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3718", "label": "indoprofen", "FDA_Category_D_L1000_Similarity": -0.133581, "FDA_Category_D_Structural_Similarity": -0.789449, "FDA_Category_D_Weighted_Contribution": -0.806636, "FDA_Category_D_Top_Rank": -0.0932718, "FDA_Category_X_L1000_Similarity": -0.423318, "FDA_Category_X_Structural_Similarity": -0.614394, "FDA_Category_X_Weighted_Contribution": -0.810679, "FDA_Category_X_Top_Rank": -0.089759, "FDA_Category_D_and_X_L1000_Similarity": -0.243702, "FDA_Category_D_and_X_Structural_Similarity": -0.958121, "FDA_Category_D_and_X_Weighted_Contribution": -0.951298, "FDA_Category_D_and_X_Top_Rank": -0.0938971, "Placenta_Crossing_L1000_Similarity": 0.203469, "Placenta_Crossing_Structural_Similarity": -0.710128, "Placenta_Crossing_Weighted_Contribution": -0.632042, "Placenta_Crossing_Top_Rank": -0.0865879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O", "InChI_key": "RJMIEHBSYVWVIN-UHFFFAOYSA-N" } }, "CID:3724": { "type": "Drug", "properties": { "id": "CID:3724", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3724", "label": "iodixanol", "FDA_Category_D_L1000_Similarity": 1.6909, "FDA_Category_D_Structural_Similarity": -0.0862669, "FDA_Category_D_Weighted_Contribution": 0.79697, "FDA_Category_D_Top_Rank": 0.0390061, "FDA_Category_X_L1000_Similarity": -0.0622985, "FDA_Category_X_Structural_Similarity": 0.292304, "FDA_Category_X_Weighted_Contribution": 0.133939, "FDA_Category_X_Top_Rank": -0.0700704, "FDA_Category_D_and_X_L1000_Similarity": 1.43867, "FDA_Category_D_and_X_Structural_Similarity": 0.0892547, "FDA_Category_D_and_X_Weighted_Contribution": 0.746603, "FDA_Category_D_and_X_Top_Rank": -0.0316272, "Placenta_Crossing_L1000_Similarity": 0.529814, "Placenta_Crossing_Structural_Similarity": 0.261339, "Placenta_Crossing_Weighted_Contribution": 0.373435, "Placenta_Crossing_Top_Rank": -0.0761888, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I", "InChI_key": "NBQNWMBBSKPBAY-UHFFFAOYSA-N" } }, "CID:3736": { "type": "Drug", "properties": { "id": "CID:3736", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3736", "label": "iopromide", "ref": "LSM-5134", "FDA_Category_D_L1000_Similarity": 0.66336, "FDA_Category_D_Structural_Similarity": -0.603153, "FDA_Category_D_Weighted_Contribution": -0.303905, "FDA_Category_D_Top_Rank": -0.0808051, "FDA_Category_X_L1000_Similarity": 1.5433, "FDA_Category_X_Structural_Similarity": -0.702349, "FDA_Category_X_Weighted_Contribution": -0.0552415, "FDA_Category_X_Top_Rank": -0.0444648, "FDA_Category_D_and_X_L1000_Similarity": 1.0405, "FDA_Category_D_and_X_Structural_Similarity": -0.857716, "FDA_Category_D_and_X_Weighted_Contribution": -0.368456, "FDA_Category_D_and_X_Top_Rank": -0.0665174, "Placenta_Crossing_L1000_Similarity": 0.583762, "Placenta_Crossing_Structural_Similarity": -0.594883, "Placenta_Crossing_Weighted_Contribution": -0.391688, "Placenta_Crossing_Top_Rank": -0.0813571, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I", "InChI_key": "DGAIEPBNLOQYER-UHFFFAOYSA-N" } }, "CID:374536": { "type": "Drug", "properties": { "id": "CID:374536", "label": "rita", "lsm": "LSM-6201", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/374536", "FDA_Category_D_L1000_Similarity": 1.37232, "FDA_Category_D_Structural_Similarity": 0.477256, "FDA_Category_D_Weighted_Contribution": 1.20731, "FDA_Category_D_Top_Rank": -0.0290366, "FDA_Category_X_L1000_Similarity": -0.795149, "FDA_Category_X_Structural_Similarity": -0.71664, "FDA_Category_X_Weighted_Contribution": -1.00463, "FDA_Category_X_Top_Rank": -0.0908634, "FDA_Category_D_and_X_L1000_Similarity": 0.94149, "FDA_Category_D_and_X_Structural_Similarity": -0.00789114, "FDA_Category_D_and_X_Weighted_Contribution": 0.360121, "FDA_Category_D_and_X_Top_Rank": -0.0722722, "Placenta_Crossing_L1000_Similarity": 0.523596, "Placenta_Crossing_Structural_Similarity": 0.499081, "Placenta_Crossing_Weighted_Contribution": 0.614941, "Placenta_Crossing_Top_Rank": -0.0694626, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO", "InChI_key": "KZENBFUSKMWCJF-UHFFFAOYSA-N" } }, "CID:37542": { "type": "Drug", "properties": { "id": "CID:37542", "label": "ribavirin", "lsm": "LSM-5701", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/37542", "IDG_ID": "2373", "FDA_Category_D_L1000_Similarity": 1.05933, "FDA_Category_D_Structural_Similarity": 1.16211, "FDA_Category_D_Weighted_Contribution": 1.75198, "FDA_Category_D_Top_Rank": -0.0423015, "FDA_Category_X_L1000_Similarity": 0.381286, "FDA_Category_X_Structural_Similarity": -0.511672, "FDA_Category_X_Weighted_Contribution": -0.412605, "FDA_Category_X_Top_Rank": -0.0839906, "FDA_Category_D_and_X_L1000_Similarity": 1.02896, "FDA_Category_D_and_X_Structural_Similarity": 0.646284, "FDA_Category_D_and_X_Weighted_Contribution": 1.09456, "FDA_Category_D_and_X_Top_Rank": -0.0672461, "Placenta_Crossing_L1000_Similarity": 0.509563, "Placenta_Crossing_Structural_Similarity": -0.795675, "Placenta_Crossing_Weighted_Contribution": -0.579931, "Placenta_Crossing_Top_Rank": -0.082802, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N", "InChI_key": "IWUCXVSUMQZMFG-AFCXAGJDSA-N" } }, "CID:3760": { "type": "Drug", "properties": { "id": "CID:3760", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3760", "label": "isoconazole", "FDA_Category_D_L1000_Similarity": 0.121367, "FDA_Category_D_Structural_Similarity": -0.418514, "FDA_Category_D_Weighted_Contribution": -0.415629, "FDA_Category_D_Top_Rank": -0.0910577, "FDA_Category_X_L1000_Similarity": 0.0391642, "FDA_Category_X_Structural_Similarity": -0.670462, "FDA_Category_X_Weighted_Contribution": -0.68096, "FDA_Category_X_Top_Rank": -0.087327, "FDA_Category_D_and_X_L1000_Similarity": 0.116519, "FDA_Category_D_and_X_Structural_Similarity": -0.693959, "FDA_Category_D_and_X_Weighted_Contribution": -0.6426, "FDA_Category_D_and_X_Top_Rank": -0.0911404, "Placenta_Crossing_L1000_Similarity": 0.577909, "Placenta_Crossing_Structural_Similarity": -0.992298, "Placenta_Crossing_Weighted_Contribution": -0.698888, "Placenta_Crossing_Top_Rank": -0.0815073, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl", "InChI_key": "MPIPASJGOJYODL-UHFFFAOYSA-N" } }, "CID:3780913": { "type": "Drug", "properties": { "id": "CID:3780913", "label": "st-019386", "lsm": "LSM-4451", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3780913", "FDA_Category_D_L1000_Similarity": 0.434682, "FDA_Category_X_L1000_Similarity": 0.089233, "FDA_Category_D_and_X_L1000_Similarity": 0.401806, "Placenta_Crossing_L1000_Similarity": 0.96125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(N=CC2=C1)CC(=O)O", "InChI_key": "WYXBWPATBKEJBZ-UHFFFAOYSA-N" } }, "CID:3825": { "type": "Drug", "properties": { "id": "CID:3825", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3825", "label": "ketoprofen", "FDA_Category_D_L1000_Similarity": -0.84938, "FDA_Category_X_L1000_Similarity": 0.930798, "FDA_Category_D_and_X_L1000_Similarity": -0.44951, "Placenta_Crossing_L1000_Similarity": 0.503479, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O", "InChI_key": "DKYWVDODHFEZIM-UHFFFAOYSA-N" } }, "CID:3825829": { "type": "Drug", "properties": { "id": "CID:3825829", "label": "mdivi-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3825829", "FDA_Category_D_L1000_Similarity": -0.86221, "FDA_Category_D_Structural_Similarity": 1.9276, "FDA_Category_D_Weighted_Contribution": 1.36255, "FDA_Category_D_Top_Rank": 0.0369261, "FDA_Category_X_L1000_Similarity": -0.471531, "FDA_Category_X_Structural_Similarity": -0.55392, "FDA_Category_X_Weighted_Contribution": -0.784527, "FDA_Category_X_Top_Rank": -0.0899363, "FDA_Category_D_and_X_L1000_Similarity": -0.886436, "FDA_Category_D_and_X_Structural_Similarity": 1.23107, "FDA_Category_D_and_X_Weighted_Contribution": 0.578164, "FDA_Category_D_and_X_Top_Rank": -0.0371207, "Placenta_Crossing_L1000_Similarity": -1.09574, "Placenta_Crossing_Structural_Similarity": 0.5585, "Placenta_Crossing_Weighted_Contribution": -0.132175, "Placenta_Crossing_Top_Rank": -0.0680251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3830": { "type": "Drug", "properties": { "id": "CID:3830", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3830", "label": "kinetin", "FDA_Category_D_L1000_Similarity": 0.437261, "FDA_Category_D_Structural_Similarity": -0.613337, "FDA_Category_D_Weighted_Contribution": -0.423721, "FDA_Category_D_Top_Rank": -0.0864943, "FDA_Category_X_L1000_Similarity": 0.674101, "FDA_Category_X_Structural_Similarity": -0.68999, "FDA_Category_X_Weighted_Contribution": -0.439825, "FDA_Category_X_Top_Rank": -0.079684, "FDA_Category_D_and_X_L1000_Similarity": 0.58164, "FDA_Category_D_and_X_Structural_Similarity": -0.859129, "FDA_Category_D_and_X_Weighted_Contribution": -0.571989, "FDA_Category_D_and_X_Top_Rank": -0.0839482, "Placenta_Crossing_L1000_Similarity": 1.07958, "Placenta_Crossing_Structural_Similarity": -0.407123, "Placenta_Crossing_Weighted_Contribution": -0.00583139, "Placenta_Crossing_Top_Rank": -0.067278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=COC(=C1)CNC2=NC=NC3=C2NC=N3", "InChI_key": "QANMHLXAZMSUEX-UHFFFAOYSA-N" } }, "CID:38853": { "type": "Drug", "properties": { "id": "CID:38853", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/38853", "label": "methyldopa", "ref": "LSM-5596", "FDA_Category_D_L1000_Similarity": 0.32128, "FDA_Category_D_Structural_Similarity": -0.809785, "FDA_Category_D_Weighted_Contribution": -0.631131, "FDA_Category_D_Top_Rank": -0.0885088, "FDA_Category_X_L1000_Similarity": -0.193044, "FDA_Category_X_Structural_Similarity": -0.616511, "FDA_Category_X_Weighted_Contribution": -0.728032, "FDA_Category_X_Top_Rank": -0.0887621, "FDA_Category_D_and_X_L1000_Similarity": 0.218321, "FDA_Category_D_and_X_Structural_Similarity": -0.975404, "FDA_Category_D_and_X_Weighted_Contribution": -0.798571, "FDA_Category_D_and_X_Top_Rank": -0.0899905, "Placenta_Crossing_L1000_Similarity": 0.624054, "Placenta_Crossing_Structural_Similarity": -0.96922, "Placenta_Crossing_Weighted_Contribution": -0.665483, "Placenta_Crossing_Top_Rank": -0.0805201, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N", "InChI_key": "CJCSPKMFHVPWAR-JTQLQIEISA-N" } }, "CID:3913": { "type": "Drug", "properties": { "id": "CID:3913", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3913", "label": "tetramisole", "FDA_Category_D_L1000_Similarity": 1.33063, "FDA_Category_X_L1000_Similarity": -0.788718, "FDA_Category_D_and_X_L1000_Similarity": 0.907503, "Placenta_Crossing_L1000_Similarity": 1.5167, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CSC2=NC(CN21)C3=CC=CC=C3", "InChI_key": "HLFSDGLLUJUHTE-UHFFFAOYSA-N" } }, "CID:39186": { "type": "Drug", "properties": { "id": "CID:39186", "label": "diltiazem", "lsm": "LSM-1744", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/39186", "IDG_ID": "897", "FDA_Category_D_L1000_Similarity": 0.960199, "FDA_Category_D_Structural_Similarity": 1.62028, "FDA_Category_D_Weighted_Contribution": 2.16763, "FDA_Category_D_Top_Rank": -0.00291581, "FDA_Category_X_L1000_Similarity": 2.38028, "FDA_Category_X_Structural_Similarity": -0.360779, "FDA_Category_X_Weighted_Contribution": 0.741399, "FDA_Category_X_Top_Rank": 0.105005, "FDA_Category_D_and_X_L1000_Similarity": 1.55055, "FDA_Category_D_and_X_Structural_Similarity": 1.09136, "FDA_Category_D_and_X_Weighted_Contribution": 1.87407, "FDA_Category_D_and_X_Top_Rank": -0.0155151, "Placenta_Crossing_L1000_Similarity": 0.940134, "Placenta_Crossing_Structural_Similarity": 0.00607362, "Placenta_Crossing_Weighted_Contribution": 0.325998, "Placenta_Crossing_Top_Rank": -0.0725659, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC", "InChI_key": "HSUGRBWQSSZJOP-RTWAWAEBSA-N" } }, "CID:3932": { "type": "Drug", "properties": { "id": "CID:3932", "label": "linopirdine", "lsm": "LSM-3317", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3932", "FDA_Category_D_L1000_Similarity": 0.196531, "FDA_Category_D_Structural_Similarity": -0.632062, "FDA_Category_D_Weighted_Contribution": -0.55133, "FDA_Category_D_Top_Rank": -0.0902621, "FDA_Category_X_L1000_Similarity": 1.78399, "FDA_Category_X_Structural_Similarity": -0.705877, "FDA_Category_X_Weighted_Contribution": 0.0594011, "FDA_Category_X_Top_Rank": -0.0216346, "FDA_Category_D_and_X_L1000_Similarity": 0.711178, "FDA_Category_D_and_X_Structural_Similarity": -0.882564, "FDA_Category_D_and_X_Weighted_Contribution": -0.534679, "FDA_Category_D_and_X_Top_Rank": -0.080925, "Placenta_Crossing_L1000_Similarity": 0.45419, "Placenta_Crossing_Structural_Similarity": -0.987653, "Placenta_Crossing_Weighted_Contribution": -0.73981, "Placenta_Crossing_Top_Rank": -0.0836954, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5", "InChI_key": "YEJCDKJIEMIWRQ-UHFFFAOYSA-N" } }, "CID:39468": { "type": "Drug", "properties": { "id": "CID:39468", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID39468", "label": "levobunolol", "FDA_Category_D_L1000_Similarity": -0.603776, "FDA_Category_D_Structural_Similarity": 0.4658, "FDA_Category_D_Weighted_Contribution": -0.00924295, "FDA_Category_D_Top_Rank": -0.0721921, "FDA_Category_X_L1000_Similarity": 1.40813, "FDA_Category_X_Structural_Similarity": 1.56151, "FDA_Category_X_Weighted_Contribution": 2.34106, "FDA_Category_X_Top_Rank": -0.00500776, "FDA_Category_D_and_X_L1000_Similarity": -0.0928367, "FDA_Category_D_and_X_Structural_Similarity": 1.2123, "FDA_Category_D_and_X_Weighted_Contribution": 1.02735, "FDA_Category_D_and_X_Top_Rank": -0.0383099, "Placenta_Crossing_L1000_Similarity": 0.608028, "Placenta_Crossing_Structural_Similarity": 2.02005, "Placenta_Crossing_Weighted_Contribution": 2.25988, "Placenta_Crossing_Top_Rank": 0.0334203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O", "InChI_key": "IXHBTMCLRNMKHZ-LBPRGKRZSA-N" } }, "CID:3947": { "type": "Drug", "properties": { "id": "CID:3947", "label": "lofepramine", "lsm": "LSM-5879", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3947", "IDG_ID": "1592", "FDA_Category_D_L1000_Similarity": -1.21855, "FDA_Category_D_Structural_Similarity": 0.447391, "FDA_Category_D_Weighted_Contribution": -0.34779, "FDA_Category_D_Top_Rank": -0.0729245, "FDA_Category_X_L1000_Similarity": 1.65375, "FDA_Category_X_Structural_Similarity": -0.402913, "FDA_Category_X_Weighted_Contribution": 0.302305, "FDA_Category_X_Top_Rank": -0.0348741, "FDA_Category_D_and_X_L1000_Similarity": -0.548198, "FDA_Category_D_and_X_Structural_Similarity": 0.13769, "FDA_Category_D_and_X_Weighted_Contribution": -0.280894, "FDA_Category_D_and_X_Top_Rank": -0.0831407, "Placenta_Crossing_L1000_Similarity": -0.980696, "Placenta_Crossing_Structural_Similarity": 2.4981, "Placenta_Crossing_Weighted_Contribution": 1.93233, "Placenta_Crossing_Top_Rank": 0.0890363, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl", "InChI_key": "SAPNXPWPAUFAJU-UHFFFAOYSA-N" } }, "CID:3953": { "type": "Drug", "properties": { "id": "CID:3953", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3953", "label": "lonidamine", "FDA_Category_D_L1000_Similarity": 0.420565, "FDA_Category_D_Structural_Similarity": 0.201727, "FDA_Category_D_Weighted_Contribution": 0.319228, "FDA_Category_D_Top_Rank": -0.0798643, "FDA_Category_X_L1000_Similarity": 0.998822, "FDA_Category_X_Structural_Similarity": -0.109582, "FDA_Category_X_Weighted_Contribution": 0.266416, "FDA_Category_X_Top_Rank": -0.0714615, "FDA_Category_D_and_X_L1000_Similarity": 0.665852, "FDA_Category_D_and_X_Structural_Similarity": 0.100984, "FDA_Category_D_and_X_Weighted_Contribution": 0.314635, "FDA_Category_D_and_X_Top_Rank": -0.0820415, "Placenta_Crossing_L1000_Similarity": 1.11628, "Placenta_Crossing_Structural_Similarity": -0.921895, "Placenta_Crossing_Weighted_Contribution": -0.437983, "Placenta_Crossing_Top_Rank": -0.066076, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=NN2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O", "InChI_key": "DGRMEXOCSJEPGJ-UHFFFAOYSA-N" } }, "CID:3998": { "type": "Drug", "properties": { "id": "CID:3998", "label": "mafenide", "lsm": "LSM-5445", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3998", "IDG_ID": "1624", "FDA_Category_D_L1000_Similarity": 1.04128, "FDA_Category_D_Structural_Similarity": -0.488835, "FDA_Category_D_Weighted_Contribution": -0.00105607, "FDA_Category_D_Top_Rank": -0.0629471, "FDA_Category_X_L1000_Similarity": 0.851856, "FDA_Category_X_Structural_Similarity": 2.54209, "FDA_Category_X_Weighted_Contribution": 3.00832, "FDA_Category_X_Top_Rank": 0.114556, "FDA_Category_D_and_X_L1000_Similarity": 1.1563, "FDA_Category_D_and_X_Structural_Similarity": 0.983707, "FDA_Category_D_and_X_Weighted_Contribution": 1.53124, "FDA_Category_D_and_X_Top_Rank": -0.0541348, "Placenta_Crossing_L1000_Similarity": 1.98961, "Placenta_Crossing_Structural_Similarity": 0.615291, "Placenta_Crossing_Weighted_Contribution": 1.53716, "Placenta_Crossing_Top_Rank": 0.0415906, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CN)S(=O)(=O)N", "InChI_key": "TYMRLRRVMHJFTF-UHFFFAOYSA-N" } }, "CID:4008": { "type": "Drug", "properties": { "id": "CID:4008", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4008", "label": "manidipine", "FDA_Category_D_L1000_Similarity": -1.00887, "FDA_Category_D_Structural_Similarity": 3.47713, "FDA_Category_D_Weighted_Contribution": 2.81981, "FDA_Category_D_Top_Rank": 0.349023, "FDA_Category_X_L1000_Similarity": 0.0732938, "FDA_Category_X_Structural_Similarity": -0.500868, "FDA_Category_X_Weighted_Contribution": -0.533023, "FDA_Category_X_Top_Rank": -0.087042, "FDA_Category_D_and_X_L1000_Similarity": -0.8474, "FDA_Category_D_and_X_Structural_Similarity": 2.48958, "FDA_Category_D_and_X_Weighted_Contribution": 1.92911, "FDA_Category_D_and_X_Top_Rank": 0.105751, "Placenta_Crossing_L1000_Similarity": -0.977044, "Placenta_Crossing_Structural_Similarity": 1.90422, "Placenta_Crossing_Weighted_Contribution": 1.30464, "Placenta_Crossing_Top_Rank": 0.0220023, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC", "InChI_key": "ANEBWFXPVPTEET-UHFFFAOYSA-N" } }, "CID:4039": { "type": "Drug", "properties": { "id": "CID:4039", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4039", "label": "meclofenoxate", "FDA_Category_D_L1000_Similarity": -0.0774469, "FDA_Category_D_Structural_Similarity": 0.449001, "FDA_Category_D_Weighted_Contribution": 0.274512, "FDA_Category_D_Top_Rank": -0.0728768, "FDA_Category_X_L1000_Similarity": -0.490697, "FDA_Category_X_Structural_Similarity": -0.0608709, "FDA_Category_X_Weighted_Contribution": -0.400133, "FDA_Category_X_Top_Rank": -0.0811835, "FDA_Category_D_and_X_L1000_Similarity": -0.215776, "FDA_Category_D_and_X_Structural_Similarity": 0.323533, "FDA_Category_D_and_X_Weighted_Contribution": 0.052105, "FDA_Category_D_and_X_Top_Rank": -0.0788261, "Placenta_Crossing_L1000_Similarity": -0.387579, "Placenta_Crossing_Structural_Similarity": 0.105047, "Placenta_Crossing_Weighted_Contribution": -0.215793, "Placenta_Crossing_Top_Rank": -0.079877, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl", "InChI_key": "XZTYGFHCIAKPGJ-UHFFFAOYSA-N" } }, "CID:4045": { "type": "Drug", "properties": { "id": "CID:4045", "label": "mefexamide", "lsm": "LSM-2459", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4045", "FDA_Category_D_L1000_Similarity": 1.03207, "FDA_Category_D_Structural_Similarity": -0.324117, "FDA_Category_D_Weighted_Contribution": 0.152136, "FDA_Category_D_Top_Rank": -0.063447, "FDA_Category_X_L1000_Similarity": 0.86479, "FDA_Category_X_Structural_Similarity": -0.659091, "FDA_Category_X_Weighted_Contribution": -0.329985, "FDA_Category_X_Top_Rank": -0.0752963, "FDA_Category_D_and_X_L1000_Similarity": 1.15228, "FDA_Category_D_and_X_Structural_Similarity": -0.612899, "FDA_Category_D_and_X_Weighted_Contribution": -0.103711, "FDA_Category_D_and_X_Top_Rank": -0.059078, "Placenta_Crossing_L1000_Similarity": 1.54019, "Placenta_Crossing_Structural_Similarity": 1.35835, "Placenta_Crossing_Weighted_Contribution": 2.07366, "Placenta_Crossing_Top_Rank": -0.02926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCNC(=O)COC1=CC=C(C=C1)OC", "InChI_key": "HUNIPYLVUPMFCZ-UHFFFAOYSA-N" } }, "CID:4054": { "type": "Drug", "properties": { "id": "CID:4054", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4054", "label": "memantine", "FDA_Category_D_L1000_Similarity": 0.0318124, "FDA_Category_D_Structural_Similarity": -0.469673, "FDA_Category_D_Weighted_Contribution": -0.499498, "FDA_Category_D_Top_Rank": -0.0919116, "FDA_Category_X_L1000_Similarity": 0.393912, "FDA_Category_X_Structural_Similarity": -0.699644, "FDA_Category_X_Weighted_Contribution": -0.564231, "FDA_Category_X_Top_Rank": -0.0838542, "FDA_Category_D_and_X_L1000_Similarity": 0.147045, "FDA_Category_D_and_X_Structural_Similarity": -0.750311, "FDA_Category_D_and_X_Weighted_Contribution": -0.670872, "FDA_Category_D_and_X_Top_Rank": -0.0908368, "Placenta_Crossing_L1000_Similarity": 0.264157, "Placenta_Crossing_Structural_Similarity": -0.969384, "Placenta_Crossing_Weighted_Contribution": -0.793359, "Placenta_Crossing_Top_Rank": -0.086056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC3CC(C1)(CC(C3)(C2)N)C", "InChI_key": "BUGYDGFZZOZRHP-UHFFFAOYSA-N" } }, "CID:4055": { "type": "Drug", "properties": { "id": "CID:4055", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4055", "label": "menadione", "FDA_Category_D_L1000_Similarity": -0.678549, "FDA_Category_D_Structural_Similarity": -0.943601, "FDA_Category_D_Weighted_Contribution": -1.09743, "FDA_Category_D_Top_Rank": -0.0956788, "FDA_Category_X_L1000_Similarity": -0.761169, "FDA_Category_X_Structural_Similarity": -0.204362, "FDA_Category_X_Weighted_Contribution": -0.630121, "FDA_Category_X_Top_Rank": -0.0846626, "FDA_Category_D_and_X_L1000_Similarity": -0.816069, "FDA_Category_D_and_X_Structural_Similarity": -0.859222, "FDA_Category_D_and_X_Weighted_Contribution": -1.07794, "FDA_Category_D_and_X_Top_Rank": -0.0959324, "Placenta_Crossing_L1000_Similarity": -1.26466, "Placenta_Crossing_Structural_Similarity": 0.264128, "Placenta_Crossing_Weighted_Contribution": -0.455536, "Placenta_Crossing_Top_Rank": -0.0760796, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)C2=CC=CC=C2C1=O", "InChI_key": "MJVAVZPDRWSRRC-UHFFFAOYSA-N" } }, "CID:4059": { "type": "Drug", "properties": { "id": "CID:4059", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4059", "label": "mephenesin", "FDA_Category_D_L1000_Similarity": 0.247621, "FDA_Category_D_Structural_Similarity": -0.4929, "FDA_Category_D_Weighted_Contribution": -0.416002, "FDA_Category_D_Top_Rank": -0.089553, "FDA_Category_X_L1000_Similarity": 0.663181, "FDA_Category_X_Structural_Similarity": -0.735269, "FDA_Category_X_Weighted_Contribution": -0.482672, "FDA_Category_X_Top_Rank": -0.0799573, "FDA_Category_D_and_X_L1000_Similarity": 0.414844, "FDA_Category_D_and_X_Structural_Similarity": -0.787969, "FDA_Category_D_and_X_Weighted_Contribution": -0.58872, "FDA_Category_D_and_X_Top_Rank": -0.0872601, "Placenta_Crossing_L1000_Similarity": 0.300789, "Placenta_Crossing_Structural_Similarity": -0.193673, "Placenta_Crossing_Weighted_Contribution": -0.171245, "Placenta_Crossing_Top_Rank": -0.085648, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1OCC(CO)O", "InChI_key": "JWDYCNIAQWPBHD-UHFFFAOYSA-N" } }, "CID:40692": { "type": "Drug", "properties": { "id": "CID:40692", "label": "mefloquine", "lsm": "LSM-5180", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/40692", "IDG_ID": "1665", "FDA_Category_D_L1000_Similarity": -1.0084, "FDA_Category_D_Structural_Similarity": -0.127451, "FDA_Category_D_Weighted_Contribution": -0.701851, "FDA_Category_D_Top_Rank": -0.0881697, "FDA_Category_X_L1000_Similarity": 1.27938, "FDA_Category_X_Structural_Similarity": -0.285031, "FDA_Category_X_Weighted_Contribution": 0.230092, "FDA_Category_X_Top_Rank": -0.0604062, "FDA_Category_D_and_X_L1000_Similarity": -0.480739, "FDA_Category_D_and_X_Structural_Similarity": -0.254961, "FDA_Category_D_and_X_Weighted_Contribution": -0.565487, "FDA_Category_D_and_X_Top_Rank": -0.0910534, "Placenta_Crossing_L1000_Similarity": 0.144818, "Placenta_Crossing_Structural_Similarity": 3.67775, "Placenta_Crossing_Weighted_Contribution": 3.3819, "Placenta_Crossing_Top_Rank": 0.403042, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O", "InChI_key": "XEEQGYMUWCZPDN-DOMZBBRYSA-N" } }, "CID:4071": { "type": "Drug", "properties": { "id": "CID:4071", "label": "mercaptopurine", "lsm": "LSM-5963", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4071", "FDA_Category_D_L1000_Similarity": -1.53922, "FDA_Category_D_Structural_Similarity": -0.263864, "FDA_Category_D_Weighted_Contribution": -0.996484, "FDA_Category_D_Top_Rank": -0.0907425, "FDA_Category_X_L1000_Similarity": -1.78506, "FDA_Category_X_Structural_Similarity": -0.655306, "FDA_Category_X_Weighted_Contribution": -1.25314, "FDA_Category_X_Top_Rank": -0.0916029, "FDA_Category_D_and_X_L1000_Similarity": -1.86893, "FDA_Category_D_and_X_Structural_Similarity": -0.563033, "FDA_Category_D_and_X_Weighted_Contribution": -1.22663, "FDA_Category_D_and_X_Top_Rank": -0.0945037, "Placenta_Crossing_L1000_Similarity": -1.66697, "Placenta_Crossing_Structural_Similarity": 0.603393, "Placenta_Crossing_Weighted_Contribution": -0.344863, "Placenta_Crossing_Top_Rank": -0.0664931, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=NC2=C(N1)C(=NC=N2)S", "InChI_key": "GLVAUDGFNGKCSF-UHFFFAOYSA-N" } }, "CID:4075": { "type": "Drug", "properties": { "id": "CID:4075", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4075", "label": "mesalazine", "FDA_Category_D_L1000_Similarity": 1.05032, "FDA_Category_D_Structural_Similarity": 0.357247, "FDA_Category_D_Weighted_Contribution": 0.870811, "FDA_Category_D_Top_Rank": -0.0624056, "FDA_Category_X_L1000_Similarity": -1.05396, "FDA_Category_X_Structural_Similarity": -0.338516, "FDA_Category_X_Weighted_Contribution": -0.838803, "FDA_Category_X_Top_Rank": -0.0871596, "FDA_Category_D_and_X_L1000_Similarity": 0.585322, "FDA_Category_D_and_X_Structural_Similarity": 0.10089, "FDA_Category_D_and_X_Weighted_Contribution": 0.269917, "FDA_Category_D_and_X_Top_Rank": -0.0838524, "Placenta_Crossing_L1000_Similarity": 0.10279, "Placenta_Crossing_Structural_Similarity": 2.56658, "Placenta_Crossing_Weighted_Contribution": 2.53132, "Placenta_Crossing_Top_Rank": 0.0992934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1N)C(=O)O)O", "InChI_key": "KBOPZPXVLCULAV-UHFFFAOYSA-N" } }, "CID:4099413": { "type": "Drug", "properties": { "id": "CID:4099413", "label": "sb-366791", "lsm": "LSM-3316", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4099413", "FDA_Category_D_L1000_Similarity": 0.0965836, "FDA_Category_D_Structural_Similarity": 1.46447, "FDA_Category_D_Weighted_Contribution": 1.46984, "FDA_Category_D_Top_Rank": -0.0208628, "FDA_Category_X_L1000_Similarity": 0.0485408, "FDA_Category_X_Structural_Similarity": -0.526144, "FDA_Category_X_Weighted_Contribution": -0.563686, "FDA_Category_X_Top_Rank": -0.0872513, "FDA_Category_D_and_X_L1000_Similarity": 0.097997, "FDA_Category_D_and_X_Structural_Similarity": 0.878466, "FDA_Category_D_and_X_Weighted_Contribution": 0.786274, "FDA_Category_D_and_X_Top_Rank": -0.0593457, "Placenta_Crossing_L1000_Similarity": 0.0991032, "Placenta_Crossing_Structural_Similarity": -0.807997, "Placenta_Crossing_Weighted_Contribution": -0.740145, "Placenta_Crossing_Top_Rank": -0.0875739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl", "InChI_key": "RYAMDQKWNKKFHD-UHFFFAOYSA-N" } }, "CID:41049": { "type": "Drug", "properties": { "id": "CID:41049", "label": "meptazinol", "lsm": "LSM-1252", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/41049", "IDG_ID": "1706", "FDA_Category_D_L1000_Similarity": 0.0998129, "FDA_Category_D_Structural_Similarity": 0.753528, "FDA_Category_D_Weighted_Contribution": 0.698435, "FDA_Category_D_Top_Rank": -0.0622024, "FDA_Category_X_L1000_Similarity": 0.269194, "FDA_Category_X_Structural_Similarity": 1.09617, "FDA_Category_X_Weighted_Contribution": 1.19388, "FDA_Category_X_Top_Rank": -0.0361689, "FDA_Category_D_and_X_L1000_Similarity": 0.167788, "FDA_Category_D_and_X_Structural_Similarity": 1.18957, "FDA_Category_D_and_X_Weighted_Contribution": 1.1594, "FDA_Category_D_and_X_Top_Rank": -0.0400844, "Placenta_Crossing_L1000_Similarity": 0.552999, "Placenta_Crossing_Structural_Similarity": -0.201322, "Placenta_Crossing_Weighted_Contribution": -0.0625723, "Placenta_Crossing_Top_Rank": -0.0820361, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O", "InChI_key": "JLICHNCFTLFZJN-UHFFFAOYSA-N" } }, "CID:4105": { "type": "Drug", "properties": { "id": "CID:4105", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4105", "label": "Met-leu-phe", "FDA_Category_D_L1000_Similarity": 1.47437, "FDA_Category_D_Structural_Similarity": -0.0986182, "FDA_Category_D_Weighted_Contribution": 0.648172, "FDA_Category_D_Top_Rank": -0.0149232, "FDA_Category_X_L1000_Similarity": -0.484379, "FDA_Category_X_Structural_Similarity": -0.27198, "FDA_Category_X_Weighted_Contribution": -0.573782, "FDA_Category_X_Top_Rank": -0.0859798, "FDA_Category_D_and_X_L1000_Similarity": 1.12384, "FDA_Category_D_and_X_Structural_Similarity": -0.225034, "FDA_Category_D_and_X_Weighted_Contribution": 0.2463, "FDA_Category_D_and_X_Top_Rank": -0.0609783, "Placenta_Crossing_L1000_Similarity": 0.957219, "Placenta_Crossing_Structural_Similarity": 0.0620137, "Placenta_Crossing_Weighted_Contribution": 0.391157, "Placenta_Crossing_Top_Rank": -0.0719125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4115": { "type": "Drug", "properties": { "id": "CID:4115", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4115", "label": "Methoxychlor", "FDA_Category_D_L1000_Similarity": -1.41228, "FDA_Category_D_Structural_Similarity": 2.87662, "FDA_Category_D_Weighted_Contribution": 2.03234, "FDA_Category_D_Top_Rank": 0.197516, "FDA_Category_X_L1000_Similarity": -0.317984, "FDA_Category_X_Structural_Similarity": 0.346716, "FDA_Category_X_Weighted_Contribution": 0.0601507, "FDA_Category_X_Top_Rank": -0.0678211, "FDA_Category_D_and_X_L1000_Similarity": -1.31397, "FDA_Category_D_and_X_Structural_Similarity": 2.4703, "FDA_Category_D_and_X_Weighted_Contribution": 1.6387, "FDA_Category_D_and_X_Top_Rank": 0.102022, "Placenta_Crossing_L1000_Similarity": -0.328877, "Placenta_Crossing_Structural_Similarity": 0.787942, "Placenta_Crossing_Weighted_Contribution": 0.466116, "Placenta_Crossing_Top_Rank": -0.0598415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4116": { "type": "Drug", "properties": { "id": "CID:4116", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4116", "label": "methoxyflurane", "FDA_Category_D_L1000_Similarity": 0.140027, "FDA_Category_D_Structural_Similarity": -0.92143, "FDA_Category_D_Weighted_Contribution": -0.78735, "FDA_Category_D_Top_Rank": -0.0908432, "FDA_Category_X_L1000_Similarity": -1.2601, "FDA_Category_X_Structural_Similarity": -0.759033, "FDA_Category_X_Weighted_Contribution": -1.16796, "FDA_Category_X_Top_Rank": -0.0916141, "FDA_Category_D_and_X_L1000_Similarity": -0.261964, "FDA_Category_D_and_X_Structural_Similarity": -1.14092, "FDA_Category_D_and_X_Weighted_Contribution": -1.06216, "FDA_Category_D_and_X_Top_Rank": -0.0940079, "Placenta_Crossing_L1000_Similarity": -0.623139, "Placenta_Crossing_Structural_Similarity": -0.626899, "Placenta_Crossing_Weighted_Contribution": -0.864385, "Placenta_Crossing_Top_Rank": -0.0907593, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "COC(C(Cl)Cl)(F)F", "InChI_key": "RFKMCNOHBTXSMU-UHFFFAOYSA-N" } }, "CID:4165": { "type": "Drug", "properties": { "id": "CID:4165", "label": "meticrane", "lsm": "LSM-5683", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4165", "FDA_Category_D_L1000_Similarity": -0.856578, "FDA_Category_D_Structural_Similarity": 1.07015, "FDA_Category_D_Weighted_Contribution": 0.442548, "FDA_Category_D_Top_Rank": -0.046999, "FDA_Category_X_L1000_Similarity": 0.535032, "FDA_Category_X_Structural_Similarity": -0.33328, "FDA_Category_X_Weighted_Contribution": -0.183768, "FDA_Category_X_Top_Rank": -0.0820365, "FDA_Category_D_and_X_L1000_Similarity": -0.575911, "FDA_Category_D_and_X_Structural_Similarity": 0.669555, "FDA_Category_D_and_X_Weighted_Contribution": 0.189563, "FDA_Category_D_and_X_Top_Rank": -0.0683701, "Placenta_Crossing_L1000_Similarity": 0.592168, "Placenta_Crossing_Structural_Similarity": -0.057932, "Placenta_Crossing_Weighted_Contribution": 0.0903549, "Placenta_Crossing_Top_Rank": -0.0811689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1S(=O)(=O)N)S(=O)(=O)CCC2", "InChI_key": "FNQQBFNIYODEMB-UHFFFAOYSA-N" } }, "CID:4168": { "type": "Drug", "properties": { "id": "CID:4168", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4168", "label": "metoclopramide", "ref": "LSM-3689", "FDA_Category_D_L1000_Similarity": 1.7985, "FDA_Category_D_Structural_Similarity": 0.503492, "FDA_Category_D_Weighted_Contribution": 1.50861, "FDA_Category_D_Top_Rank": 0.0741019, "FDA_Category_X_L1000_Similarity": 2.37157, "FDA_Category_X_Structural_Similarity": -0.523875, "FDA_Category_X_Weighted_Contribution": 0.556987, "FDA_Category_X_Top_Rank": 0.102009, "FDA_Category_D_and_X_L1000_Similarity": 2.27054, "FDA_Category_D_and_X_Structural_Similarity": 0.116947, "FDA_Category_D_and_X_Weighted_Contribution": 1.27306, "FDA_Category_D_and_X_Top_Rank": 0.265023, "Placenta_Crossing_L1000_Similarity": 1.10603, "Placenta_Crossing_Structural_Similarity": 1.82459, "Placenta_Crossing_Weighted_Contribution": 2.31485, "Placenta_Crossing_Top_Rank": 0.0140137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl", "InChI_key": "TTWJBBZEZQICBI-UHFFFAOYSA-N" } }, "CID:4173": { "type": "Drug", "properties": { "id": "CID:4173", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4173", "label": "metronidazole", "FDA_Category_D_L1000_Similarity": 0.417712, "FDA_Category_X_L1000_Similarity": -0.143156, "FDA_Category_D_and_X_L1000_Similarity": 0.316614, "Placenta_Crossing_L1000_Similarity": 0.328719, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(N1CCO)[N+](=O)[O-]", "InChI_key": "VAOCPAMSLUNLGC-UHFFFAOYSA-N" } }, "CID:4174": { "type": "Drug", "properties": { "id": "CID:4174", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4174", "label": "metyrapone", "FDA_Category_D_L1000_Similarity": 0.50516, "FDA_Category_D_Structural_Similarity": 0.226707, "FDA_Category_D_Weighted_Contribution": 0.395163, "FDA_Category_D_Top_Rank": -0.0790949, "FDA_Category_X_L1000_Similarity": 1.51142, "FDA_Category_X_Structural_Similarity": 0.127608, "FDA_Category_X_Weighted_Contribution": 0.801184, "FDA_Category_X_Top_Rank": -0.0462514, "FDA_Category_D_and_X_L1000_Similarity": 0.894449, "FDA_Category_D_and_X_Structural_Similarity": 0.248797, "FDA_Category_D_and_X_Weighted_Contribution": 0.594742, "FDA_Category_D_and_X_Top_Rank": -0.0743482, "Placenta_Crossing_L1000_Similarity": 1.1082, "Placenta_Crossing_Structural_Similarity": -0.468603, "Placenta_Crossing_Weighted_Contribution": -0.0493537, "Placenta_Crossing_Top_Rank": -0.0663049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2", "InChI_key": "FJLBFSROUSIWMA-UHFFFAOYSA-N" } }, "CID:4184": { "type": "Drug", "properties": { "id": "CID:4184", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4184", "label": "mianserin", "ref": "LSM-1374", "FDA_Category_D_L1000_Similarity": 0.633801, "FDA_Category_D_Structural_Similarity": -0.635675, "FDA_Category_D_Weighted_Contribution": -0.3464, "FDA_Category_D_Top_Rank": -0.0816487, "FDA_Category_X_L1000_Similarity": 0.372853, "FDA_Category_X_Structural_Similarity": -0.5898, "FDA_Category_X_Weighted_Contribution": -0.482515, "FDA_Category_X_Top_Rank": -0.0841244, "FDA_Category_D_and_X_L1000_Similarity": 0.659577, "FDA_Category_D_and_X_Structural_Similarity": -0.822798, "FDA_Category_D_and_X_Weighted_Contribution": -0.510945, "FDA_Category_D_and_X_Top_Rank": -0.0822167, "Placenta_Crossing_L1000_Similarity": 0.700064, "Placenta_Crossing_Structural_Similarity": -0.886257, "Placenta_Crossing_Weighted_Contribution": -0.575338, "Placenta_Crossing_Top_Rank": -0.0788624, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42", "InChI_key": "UEQUQVLFIPOEMF-UHFFFAOYSA-N" } }, "CID:4199": { "type": "Drug", "properties": { "id": "CID:4199", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4199", "label": "minaprine", "FDA_Category_D_L1000_Similarity": 2.42802, "FDA_Category_D_Structural_Similarity": -0.884674, "FDA_Category_D_Weighted_Contribution": 0.410175, "FDA_Category_D_Top_Rank": 0.729095, "FDA_Category_X_L1000_Similarity": 1.16328, "FDA_Category_X_Structural_Similarity": -0.721966, "FDA_Category_X_Weighted_Contribution": -0.252213, "FDA_Category_X_Top_Rank": -0.0658094, "FDA_Category_D_and_X_L1000_Similarity": 2.44626, "FDA_Category_D_and_X_Structural_Similarity": -1.09175, "FDA_Category_D_and_X_Weighted_Contribution": 0.124965, "FDA_Category_D_and_X_Top_Rank": 0.428608, "Placenta_Crossing_L1000_Similarity": 1.77275, "Placenta_Crossing_Structural_Similarity": 0.598783, "Placenta_Crossing_Weighted_Contribution": 1.40127, "Placenta_Crossing_Top_Rank": -0.00464484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3", "InChI_key": "LDMWSLGGVTVJPG-UHFFFAOYSA-N" } }, "CID:4235": { "type": "Drug", "properties": { "id": "CID:4235", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4235", "label": "moclobemide", "FDA_Category_D_L1000_Similarity": -0.146874, "FDA_Category_D_Structural_Similarity": 0.0418176, "FDA_Category_D_Weighted_Contribution": -0.153577, "FDA_Category_D_Top_Rank": -0.0841297, "FDA_Category_X_L1000_Similarity": -1.00092, "FDA_Category_X_Structural_Similarity": -0.372844, "FDA_Category_X_Weighted_Contribution": -0.844267, "FDA_Category_X_Top_Rank": -0.0877517, "FDA_Category_D_and_X_L1000_Similarity": -0.430569, "FDA_Category_D_and_X_Structural_Similarity": -0.167994, "FDA_Category_D_and_X_Weighted_Contribution": -0.476872, "FDA_Category_D_and_X_Top_Rank": -0.0896619, "Placenta_Crossing_L1000_Similarity": -0.400472, "Placenta_Crossing_Structural_Similarity": 4.16601, "Placenta_Crossing_Weighted_Contribution": 3.50239, "Placenta_Crossing_Top_Rank": 0.562012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl", "InChI_key": "YHXISWVBGDMDLQ-UHFFFAOYSA-N" } }, "CID:4237": { "type": "Drug", "properties": { "id": "CID:4237", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4237", "label": "mofezolac", "FDA_Category_D_L1000_Similarity": 0.742905, "FDA_Category_D_Structural_Similarity": -0.202022, "FDA_Category_D_Weighted_Contribution": 0.106133, "FDA_Category_D_Top_Rank": -0.0781213, "FDA_Category_X_L1000_Similarity": -0.19642, "FDA_Category_X_Structural_Similarity": -0.70977, "FDA_Category_X_Weighted_Contribution": -0.797657, "FDA_Category_X_Top_Rank": -0.0887761, "FDA_Category_D_and_X_L1000_Similarity": 0.580747, "FDA_Category_D_and_X_Structural_Similarity": -0.543336, "FDA_Category_D_and_X_Weighted_Contribution": -0.321489, "FDA_Category_D_and_X_Top_Rank": -0.0839672, "Placenta_Crossing_L1000_Similarity": 1.10712, "Placenta_Crossing_Structural_Similarity": 0.318108, "Placenta_Crossing_Weighted_Contribution": 0.736074, "Placenta_Crossing_Top_Rank": -0.0663238, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O", "InChI_key": "DJEIHHYCDCTAAH-UHFFFAOYSA-N" } }, "CID:4237309": { "type": "Drug", "properties": { "id": "CID:4237309", "label": "l-701252", "lsm": "LSM-2212", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4237309", "FDA_Category_D_L1000_Similarity": 0.159839, "FDA_Category_D_Structural_Similarity": -0.387665, "FDA_Category_D_Weighted_Contribution": -0.371273, "FDA_Category_D_Top_Rank": -0.090659, "FDA_Category_X_L1000_Similarity": -0.740755, "FDA_Category_X_Structural_Similarity": -0.668378, "FDA_Category_X_Weighted_Contribution": -0.956146, "FDA_Category_X_Top_Rank": -0.0907356, "FDA_Category_D_and_X_L1000_Similarity": -0.087171, "FDA_Category_D_and_X_Structural_Similarity": -0.668349, "FDA_Category_D_and_X_Weighted_Contribution": -0.705815, "FDA_Category_D_and_X_Top_Rank": -0.0928931, "Placenta_Crossing_L1000_Similarity": 0.480917, "Placenta_Crossing_Structural_Similarity": 0.842272, "Placenta_Crossing_Weighted_Contribution": 0.956594, "Placenta_Crossing_Top_Rank": -0.0579173, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)O", "InChI_key": "MXEFWCFPCLDOOG-UHFFFAOYSA-N" } }, "CID:4250": { "type": "Drug", "properties": { "id": "CID:4250", "label": "morantel", "lsm": "LSM-5826", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4250", "FDA_Category_D_L1000_Similarity": 1.39209, "FDA_Category_D_Structural_Similarity": 0.475811, "FDA_Category_D_Weighted_Contribution": 1.21841, "FDA_Category_D_Top_Rank": -0.0255321, "FDA_Category_X_L1000_Similarity": 1.73839, "FDA_Category_X_Structural_Similarity": 1.30817, "FDA_Category_X_Weighted_Contribution": 2.2491, "FDA_Category_X_Top_Rank": -0.0197623, "FDA_Category_D_and_X_L1000_Similarity": 1.72791, "FDA_Category_D_and_X_Structural_Similarity": 1.08354, "FDA_Category_D_and_X_Weighted_Contribution": 1.96716, "FDA_Category_D_and_X_Top_Rank": 0.0163298, "Placenta_Crossing_L1000_Similarity": 1.09095, "Placenta_Crossing_Structural_Similarity": -0.222428, "Placenta_Crossing_Weighted_Contribution": 0.175742, "Placenta_Crossing_Top_Rank": -0.0668081, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42628535": { "type": "Drug", "properties": { "id": "CID:42628535", "label": "XMD-1185H", "lsm": "LSM-5577", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42628535", "FDA_Category_D_L1000_Similarity": 1.09288, "FDA_Category_D_Structural_Similarity": 0.37146, "FDA_Category_D_Weighted_Contribution": 0.913222, "FDA_Category_D_Top_Rank": -0.0590274, "FDA_Category_X_L1000_Similarity": 2.14246, "FDA_Category_X_Structural_Similarity": 0.420788, "FDA_Category_X_Weighted_Contribution": 1.49271, "FDA_Category_X_Top_Rank": 0.0409923, "FDA_Category_D_and_X_L1000_Similarity": 1.59271, "FDA_Category_D_and_X_Structural_Similarity": 0.521888, "FDA_Category_D_and_X_Weighted_Contribution": 1.2998, "FDA_Category_D_and_X_Top_Rank": -0.00797959, "Placenta_Crossing_L1000_Similarity": 1.33275, "Placenta_Crossing_Structural_Similarity": 1.26035, "Placenta_Crossing_Weighted_Contribution": 1.86616, "Placenta_Crossing_Top_Rank": -0.0358719, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42636535": { "type": "Drug", "properties": { "id": "CID:42636535", "label": "A-66", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42636535", "FDA_Category_D_L1000_Similarity": -0.100971, "FDA_Category_D_Structural_Similarity": -0.576069, "FDA_Category_D_Weighted_Contribution": -0.641237, "FDA_Category_D_Top_Rank": -0.0930129, "FDA_Category_X_L1000_Similarity": 1.04276, "FDA_Category_X_Structural_Similarity": -0.50573, "FDA_Category_X_Weighted_Contribution": -0.106899, "FDA_Category_X_Top_Rank": -0.070199, "FDA_Category_D_and_X_L1000_Similarity": 0.229637, "FDA_Category_D_and_X_Structural_Similarity": -0.730124, "FDA_Category_D_and_X_Weighted_Contribution": -0.622723, "FDA_Category_D_and_X_Top_Rank": -0.0898525, "Placenta_Crossing_L1000_Similarity": 1.39654, "Placenta_Crossing_Structural_Similarity": -0.748642, "Placenta_Crossing_Weighted_Contribution": -0.170433, "Placenta_Crossing_Top_Rank": -0.0486492, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4296": { "type": "Drug", "properties": { "id": "CID:4296", "label": "tfmpp", "lsm": "LSM-24939", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4296", "FDA_Category_D_L1000_Similarity": 0.808541, "FDA_Category_D_Structural_Similarity": -0.755911, "FDA_Category_D_Weighted_Contribution": -0.361511, "FDA_Category_D_Top_Rank": -0.0754709, "FDA_Category_X_L1000_Similarity": -0.789997, "FDA_Category_X_Structural_Similarity": 0.929528, "FDA_Category_X_Weighted_Contribution": 0.418184, "FDA_Category_X_Top_Rank": -0.0441994, "FDA_Category_D_and_X_L1000_Similarity": 0.457065, "FDA_Category_D_and_X_Structural_Similarity": -0.0984068, "FDA_Category_D_and_X_Weighted_Contribution": 0.0103238, "FDA_Category_D_and_X_Top_Rank": -0.0864745, "Placenta_Crossing_L1000_Similarity": 0.40538, "Placenta_Crossing_Structural_Similarity": 0.138443, "Placenta_Crossing_Weighted_Contribution": 0.188493, "Placenta_Crossing_Top_Rank": -0.0791587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F", "InChI_key": "KKIMDKMETPPURN-UHFFFAOYSA-N" } }, "CID:4296446": { "type": "Drug", "properties": { "id": "CID:4296446", "label": "vu-0447127-2", "lsm": "LSM-1419", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4296446", "FDA_Category_D_L1000_Similarity": 0.540783, "FDA_Category_D_Structural_Similarity": -0.736608, "FDA_Category_D_Weighted_Contribution": -0.474622, "FDA_Category_D_Top_Rank": -0.0842173, "FDA_Category_X_L1000_Similarity": 1.6067, "FDA_Category_X_Structural_Similarity": -0.6604, "FDA_Category_X_Weighted_Contribution": 0.0166136, "FDA_Category_X_Top_Rank": -0.0387351, "FDA_Category_D_and_X_L1000_Similarity": 0.954086, "FDA_Category_D_and_X_Structural_Similarity": -0.941004, "FDA_Category_D_and_X_Weighted_Contribution": -0.474371, "FDA_Category_D_and_X_Top_Rank": -0.0715637, "Placenta_Crossing_L1000_Similarity": 1.50209, "Placenta_Crossing_Structural_Similarity": -0.832279, "Placenta_Crossing_Weighted_Contribution": -0.197066, "Placenta_Crossing_Top_Rank": -0.0397879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2CC1CC2C(=O)NC3=CC4=CC=CC=C4C=C3", "InChI_key": "KPTCFZBEMVTSKM-UHFFFAOYSA-N" } }, "CID:4306": { "type": "Drug", "properties": { "id": "CID:4306", "label": "w-9", "lsm": "LSM-3529", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4306", "FDA_Category_D_L1000_Similarity": -0.917273, "FDA_Category_D_Structural_Similarity": -0.509817, "FDA_Category_D_Weighted_Contribution": -0.923929, "FDA_Category_D_Top_Rank": -0.0942204, "FDA_Category_X_L1000_Similarity": 0.766786, "FDA_Category_X_Structural_Similarity": -0.487122, "FDA_Category_X_Weighted_Contribution": -0.218836, "FDA_Category_X_Top_Rank": -0.077778, "FDA_Category_D_and_X_L1000_Similarity": -0.557843, "FDA_Category_D_and_X_Structural_Similarity": -0.667497, "FDA_Category_D_and_X_Weighted_Contribution": -0.88089, "FDA_Category_D_and_X_Top_Rank": -0.0952533, "Placenta_Crossing_L1000_Similarity": -0.602709, "Placenta_Crossing_Structural_Similarity": -0.690346, "Placenta_Crossing_Weighted_Contribution": -0.898245, "Placenta_Crossing_Top_Rank": -0.0910744, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCCCN)C(=C1)Cl", "InChI_key": "WAEIMOCPASQBSR-UHFFFAOYSA-N" } }, "CID:4306515": { "type": "Drug", "properties": { "id": "CID:4306515", "label": "sc-560", "lsm": "LSM-2314", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4306515", "FDA_Category_D_L1000_Similarity": -1.05986, "FDA_Category_D_Structural_Similarity": -0.467071, "FDA_Category_D_Weighted_Contribution": -0.94936, "FDA_Category_D_Top_Rank": -0.093744, "FDA_Category_X_L1000_Similarity": 1.42878, "FDA_Category_X_Structural_Similarity": 1.13092, "FDA_Category_X_Weighted_Contribution": 1.88975, "FDA_Category_X_Top_Rank": -0.0342061, "FDA_Category_D_and_X_L1000_Similarity": -0.479723, "FDA_Category_D_and_X_Structural_Similarity": 0.239517, "FDA_Category_D_and_X_Weighted_Contribution": -0.159385, "FDA_Category_D_and_X_Top_Rank": -0.0808223, "Placenta_Crossing_L1000_Similarity": 0.489318, "Placenta_Crossing_Structural_Similarity": -0.618994, "Placenta_Crossing_Weighted_Contribution": -0.450179, "Placenta_Crossing_Top_Rank": -0.0831586, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl", "InChI_key": "PQUGCKBLVKJMNT-UHFFFAOYSA-N" } }, "CID:4331799": { "type": "Drug", "properties": { "id": "CID:4331799", "label": "sb-408124", "lsm": "LSM-3195", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4331799", "FDA_Category_D_L1000_Similarity": 0.29584, "FDA_Category_D_Structural_Similarity": 0.574714, "FDA_Category_D_Weighted_Contribution": 0.63036, "FDA_Category_D_Top_Rank": -0.0683294, "FDA_Category_X_L1000_Similarity": 0.262395, "FDA_Category_X_Structural_Similarity": 0.0956251, "FDA_Category_X_Weighted_Contribution": 0.099465, "FDA_Category_X_Top_Rank": -0.0772615, "FDA_Category_D_and_X_L1000_Similarity": 0.334702, "FDA_Category_D_and_X_Structural_Similarity": 0.507757, "FDA_Category_D_and_X_Weighted_Contribution": 0.538203, "FDA_Category_D_and_X_Top_Rank": -0.073658, "Placenta_Crossing_L1000_Similarity": 0.306953, "Placenta_Crossing_Structural_Similarity": 0.0236947, "Placenta_Crossing_Weighted_Contribution": 0.0305657, "Placenta_Crossing_Top_Rank": -0.0818527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C", "InChI_key": "JTARFZSNUAGHRB-UHFFFAOYSA-N" } }, "CID:4336830": { "type": "Drug", "properties": { "id": "CID:4336830", "label": "sc-19220", "lsm": "LSM-3162", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4336830", "FDA_Category_D_L1000_Similarity": 1.1994, "FDA_Category_D_Structural_Similarity": -0.957774, "FDA_Category_D_Weighted_Contribution": -0.338682, "FDA_Category_D_Top_Rank": -0.0487531, "FDA_Category_X_L1000_Similarity": 1.39403, "FDA_Category_X_Structural_Similarity": -0.631252, "FDA_Category_X_Weighted_Contribution": -0.0587127, "FDA_Category_X_Top_Rank": -0.053723, "FDA_Category_D_and_X_L1000_Similarity": 1.45725, "FDA_Category_D_and_X_Structural_Similarity": -1.10082, "FDA_Category_D_and_X_Weighted_Contribution": -0.37624, "FDA_Category_D_and_X_Top_Rank": -0.0291456, "Placenta_Crossing_L1000_Similarity": 1.12071, "Placenta_Crossing_Structural_Similarity": -1.10379, "Placenta_Crossing_Weighted_Contribution": -0.578472, "Placenta_Crossing_Top_Rank": -0.0659216, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl", "InChI_key": "KNURFLJTOUGOOQ-UHFFFAOYSA-N" } }, "CID:4342": { "type": "Drug", "properties": { "id": "CID:4342", "label": "acecainide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4342", "FDA_Category_D_L1000_Similarity": -0.173896, "FDA_Category_D_Structural_Similarity": 1.32868, "FDA_Category_D_Weighted_Contribution": 1.14819, "FDA_Category_D_Top_Rank": -0.0321506, "FDA_Category_X_L1000_Similarity": -0.536835, "FDA_Category_X_Structural_Similarity": -0.580571, "FDA_Category_X_Weighted_Contribution": -0.827015, "FDA_Category_X_Top_Rank": -0.0901481, "FDA_Category_D_and_X_L1000_Similarity": -0.312924, "FDA_Category_D_and_X_Structural_Similarity": 0.741319, "FDA_Category_D_and_X_Weighted_Contribution": 0.406356, "FDA_Category_D_and_X_Top_Rank": -0.0658791, "Placenta_Crossing_L1000_Similarity": -0.0439904, "Placenta_Crossing_Structural_Similarity": 4.67368, "Placenta_Crossing_Weighted_Contribution": 3.81894, "Placenta_Crossing_Top_Rank": 0.761162, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4350931": { "type": "Drug", "properties": { "id": "CID:4350931", "label": "le-300", "lsm": "LSM-2007", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4350931", "FDA_Category_D_L1000_Similarity": 0.185554, "FDA_Category_D_Structural_Similarity": -0.788478, "FDA_Category_D_Weighted_Contribution": -0.674158, "FDA_Category_D_Top_Rank": -0.0903793, "FDA_Category_X_L1000_Similarity": 0.998114, "FDA_Category_X_Structural_Similarity": -0.66429, "FDA_Category_X_Weighted_Contribution": -0.27488, "FDA_Category_X_Top_Rank": -0.0714745, "FDA_Category_D_and_X_L1000_Similarity": 0.463054, "FDA_Category_D_and_X_Structural_Similarity": -0.984274, "FDA_Category_D_and_X_Weighted_Contribution": -0.71106, "FDA_Category_D_and_X_Top_Rank": -0.0863759, "Placenta_Crossing_L1000_Similarity": 0.555176, "Placenta_Crossing_Structural_Similarity": -1.03566, "Placenta_Crossing_Weighted_Contribution": -0.737563, "Placenta_Crossing_Top_Rank": -0.0820017, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3", "InChI_key": "YEWGIGCYIAMFMA-UHFFFAOYSA-N" } }, "CID:4353886": { "type": "Drug", "properties": { "id": "CID:4353886", "label": "fr-139317", "lsm": "LSM-1822", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4353886", "FDA_Category_D_L1000_Similarity": 1.16825, "FDA_Category_D_Structural_Similarity": -0.47292, "FDA_Category_D_Weighted_Contribution": 0.0850417, "FDA_Category_D_Top_Rank": -0.0518147, "FDA_Category_X_L1000_Similarity": -0.349059, "FDA_Category_X_Structural_Similarity": -0.00623453, "FDA_Category_X_Weighted_Contribution": -0.289382, "FDA_Category_X_Top_Rank": -0.0799573, "FDA_Category_D_and_X_L1000_Similarity": 0.901047, "FDA_Category_D_and_X_Structural_Similarity": -0.378727, "FDA_Category_D_and_X_Weighted_Contribution": -0.0187479, "FDA_Category_D_and_X_Top_Rank": -0.0740146, "Placenta_Crossing_L1000_Similarity": 1.17785, "Placenta_Crossing_Structural_Similarity": -0.598574, "Placenta_Crossing_Weighted_Contribution": -0.135468, "Placenta_Crossing_Top_Rank": -0.0628193, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)NC(CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4", "InChI_key": "LIOKMIQQPDDTNO-UHFFFAOYSA-N" } }, "CID:4369359": { "type": "Drug", "properties": { "id": "CID:4369359", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4369359", "label": "sitagliptin", "FDA_Category_D_L1000_Similarity": 0.213674, "FDA_Category_D_Structural_Similarity": -0.482306, "FDA_Category_D_Weighted_Contribution": -0.423637, "FDA_Category_D_Top_Rank": -0.0900659, "FDA_Category_X_L1000_Similarity": 1.29886, "FDA_Category_X_Structural_Similarity": -0.386, "FDA_Category_X_Weighted_Contribution": 0.136802, "FDA_Category_X_Top_Rank": -0.0592527, "FDA_Category_D_and_X_L1000_Similarity": 0.578629, "FDA_Category_D_and_X_Structural_Similarity": -0.591097, "FDA_Category_D_and_X_Weighted_Contribution": -0.362115, "FDA_Category_D_and_X_Top_Rank": -0.0840051, "Placenta_Crossing_L1000_Similarity": 1.66953, "Placenta_Crossing_Structural_Similarity": -0.599558, "Placenta_Crossing_Weighted_Contribution": 0.0950619, "Placenta_Crossing_Top_Rank": -0.0196229, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N", "InChI_key": "MFFMDFFZMYYVKS-SECBINFHSA-N" } }, "CID:4369524": { "type": "Drug", "properties": { "id": "CID:4369524", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4369524", "label": "tanaproget", "FDA_Category_D_L1000_Similarity": -0.375982, "FDA_Category_D_Structural_Similarity": -0.914464, "FDA_Category_D_Weighted_Contribution": -0.978085, "FDA_Category_D_Top_Rank": -0.0946054, "FDA_Category_X_L1000_Similarity": -1.82746, "FDA_Category_X_Structural_Similarity": 0.740996, "FDA_Category_X_Weighted_Contribution": -0.282686, "FDA_Category_X_Top_Rank": -0.0522297, "FDA_Category_D_and_X_L1000_Similarity": -0.879072, "FDA_Category_D_and_X_Structural_Similarity": -0.325984, "FDA_Category_D_and_X_Weighted_Contribution": -0.775647, "FDA_Category_D_and_X_Top_Rank": -0.0920728, "Placenta_Crossing_L1000_Similarity": -0.58349, "Placenta_Crossing_Structural_Similarity": -0.273611, "Placenta_Crossing_Weighted_Contribution": -0.604346, "Placenta_Crossing_Top_Rank": -0.0870734, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C", "InChI_key": "PYVFWTPEBMRKSR-UHFFFAOYSA-N" } }, "CID:439504": { "type": "Drug", "properties": { "id": "CID:439504", "label": "tylosin", "lsm": "LSM-5361", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/439504", "FDA_Category_D_L1000_Similarity": -0.133706, "FDA_Category_D_Structural_Similarity": 0.460373, "FDA_Category_D_Weighted_Contribution": 0.252899, "FDA_Category_D_Top_Rank": -0.0724893, "FDA_Category_X_L1000_Similarity": -0.5091, "FDA_Category_X_Structural_Similarity": 0.507209, "FDA_Category_X_Weighted_Contribution": 0.125167, "FDA_Category_X_Top_Rank": -0.0618092, "FDA_Category_D_and_X_L1000_Similarity": -0.269858, "FDA_Category_D_and_X_Structural_Similarity": 0.639092, "FDA_Category_D_and_X_Weighted_Contribution": 0.328132, "FDA_Category_D_and_X_Top_Rank": -0.0693666, "Placenta_Crossing_L1000_Similarity": -0.78646, "Placenta_Crossing_Structural_Similarity": 0.441097, "Placenta_Crossing_Weighted_Contribution": -0.0964593, "Placenta_Crossing_Top_Rank": -0.0713331, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4409": { "type": "Drug", "properties": { "id": "CID:4409", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4409", "label": "nabumetone", "ref": "LSM-3453", "FDA_Category_D_L1000_Similarity": 0.344351, "FDA_Category_D_Structural_Similarity": -0.820059, "FDA_Category_D_Weighted_Contribution": -0.628711, "FDA_Category_D_Top_Rank": -0.0880637, "FDA_Category_X_L1000_Similarity": 1.40685, "FDA_Category_X_Structural_Similarity": -0.713646, "FDA_Category_X_Weighted_Contribution": -0.131314, "FDA_Category_X_Top_Rank": -0.0528952, "FDA_Category_D_and_X_L1000_Similarity": 0.724066, "FDA_Category_D_and_X_Structural_Similarity": -1.03597, "FDA_Category_D_and_X_Weighted_Contribution": -0.643648, "FDA_Category_D_and_X_Top_Rank": -0.0805349, "Placenta_Crossing_L1000_Similarity": 1.21799, "Placenta_Crossing_Structural_Similarity": 2.93908, "Placenta_Crossing_Weighted_Contribution": 3.26087, "Placenta_Crossing_Top_Rank": 0.183693, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC", "InChI_key": "BLXXJMDCKKHMKV-UHFFFAOYSA-N" } }, "CID:441289": { "type": "Drug", "properties": { "id": "CID:441289", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441289", "label": "pancuronium", "ref": "LSM-5931", "FDA_Category_D_L1000_Similarity": -0.206446, "FDA_Category_D_Structural_Similarity": 0.956711, "FDA_Category_D_Weighted_Contribution": 0.723908, "FDA_Category_D_Top_Rank": -0.052404, "FDA_Category_X_L1000_Similarity": 1.23427, "FDA_Category_X_Structural_Similarity": 1.54734, "FDA_Category_X_Weighted_Contribution": 2.2353, "FDA_Category_X_Top_Rank": -0.0064209, "FDA_Category_D_and_X_L1000_Similarity": 0.196875, "FDA_Category_D_and_X_Structural_Similarity": 1.59429, "FDA_Category_D_and_X_Weighted_Contribution": 1.60811, "FDA_Category_D_and_X_Top_Rank": -0.00654166, "Placenta_Crossing_L1000_Similarity": 0.767078, "Placenta_Crossing_Structural_Similarity": -0.624844, "Placenta_Crossing_Weighted_Contribution": -0.339357, "Placenta_Crossing_Top_Rank": -0.0772814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C", "InChI_key": "GVEAYVLWDAFXET-XGHATYIMSA-N" } }, "CID:44143698": { "type": "Drug", "properties": { "id": "CID:44143698", "label": "kuc103420n", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44143698", "FDA_Category_D_L1000_Similarity": -0.516063, "FDA_Category_D_Structural_Similarity": 0.245972, "FDA_Category_D_Weighted_Contribution": -0.164434, "FDA_Category_D_Top_Rank": -0.078623, "FDA_Category_X_L1000_Similarity": 2.41483, "FDA_Category_X_Structural_Similarity": -0.281067, "FDA_Category_X_Weighted_Contribution": 0.849807, "FDA_Category_X_Top_Rank": 0.121439, "FDA_Category_D_and_X_L1000_Similarity": 0.288491, "FDA_Category_D_and_X_Structural_Similarity": 0.0435683, "FDA_Category_D_and_X_Weighted_Contribution": 0.0546494, "FDA_Category_D_and_X_Top_Rank": -0.0854193, "Placenta_Crossing_L1000_Similarity": 0.260862, "Placenta_Crossing_Structural_Similarity": 3.1885, "Placenta_Crossing_Weighted_Contribution": 3.09987, "Placenta_Crossing_Top_Rank": 0.244381, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)OC", "InChI_key": "ZZMKNPKZBXVRFI-UHFFFAOYSA-N" } }, "CID:441724": { "type": "Drug", "properties": { "id": "CID:441724", "label": "delcorine", "lsm": "LSM-1882", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441724", "FDA_Category_D_L1000_Similarity": 1.24643, "FDA_Category_D_Structural_Similarity": -0.433282, "FDA_Category_D_Weighted_Contribution": 0.168184, "FDA_Category_D_Top_Rank": -0.0442355, "FDA_Category_X_L1000_Similarity": 0.0251766, "FDA_Category_X_Structural_Similarity": -0.360802, "FDA_Category_X_Weighted_Contribution": -0.436021, "FDA_Category_X_Top_Rank": -0.0874385, "FDA_Category_D_and_X_L1000_Similarity": 1.08208, "FDA_Category_D_and_X_Structural_Similarity": -0.538589, "FDA_Category_D_and_X_Weighted_Contribution": -0.0721298, "FDA_Category_D_and_X_Top_Rank": -0.0640095, "Placenta_Crossing_L1000_Similarity": 1.26368, "Placenta_Crossing_Structural_Similarity": 0.00595425, "Placenta_Crossing_Weighted_Contribution": 0.492767, "Placenta_Crossing_Top_Rank": -0.0582463, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "XTLROSDJDZHIIK-YUXMBUEVSA-N" } }, "CID:441749": { "type": "Drug", "properties": { "id": "CID:441749", "label": "napelline", "lsm": "LSM-1634", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441749", "FDA_Category_D_L1000_Similarity": 0.861494, "FDA_Category_D_Structural_Similarity": -0.0350501, "FDA_Category_D_Weighted_Contribution": 0.340957, "FDA_Category_D_Top_Rank": -0.0731766, "FDA_Category_X_L1000_Similarity": 0.972525, "FDA_Category_X_Structural_Similarity": -0.462801, "FDA_Category_X_Weighted_Contribution": -0.0994804, "FDA_Category_X_Top_Rank": -0.0723265, "FDA_Category_D_and_X_L1000_Similarity": 1.03797, "FDA_Category_D_and_X_Structural_Similarity": -0.277545, "FDA_Category_D_and_X_Weighted_Contribution": 0.148666, "FDA_Category_D_and_X_Top_Rank": -0.0667253, "Placenta_Crossing_L1000_Similarity": 0.523456, "Placenta_Crossing_Structural_Similarity": -0.407694, "Placenta_Crossing_Weighted_Contribution": -0.259758, "Placenta_Crossing_Top_Rank": -0.0825211, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "AZAZKLKDEOMJBJ-HHMJTLKESA-N" } }, "CID:44187362": { "type": "Drug", "properties": { "id": "CID:44187362", "label": "pimasertib", "lsm": "LSM-5946", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44187362", "FDA_Category_D_L1000_Similarity": -1.82236, "FDA_Category_X_L1000_Similarity": -1.00754, "FDA_Category_D_and_X_L1000_Similarity": -1.87687, "Placenta_Crossing_L1000_Similarity": -2.13025, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NCC(CO)O", "InChI_key": "VIUAUNHCRHHYNE-JTQLQIEISA-N" } }, "CID:44201003": { "type": "Drug", "properties": { "id": "CID:44201003", "label": "DBPR-108", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44201003", "FDA_Category_D_L1000_Similarity": -0.12446, "FDA_Category_D_Structural_Similarity": -0.425478, "FDA_Category_D_Weighted_Contribution": -0.536817, "FDA_Category_D_Top_Rank": -0.0931967, "FDA_Category_X_L1000_Similarity": -0.897501, "FDA_Category_X_Structural_Similarity": -0.624409, "FDA_Category_X_Weighted_Contribution": -0.978485, "FDA_Category_X_Top_Rank": -0.0910884, "FDA_Category_D_and_X_L1000_Similarity": -0.379842, "FDA_Category_D_and_X_Structural_Similarity": -0.674636, "FDA_Category_D_and_X_Weighted_Contribution": -0.821362, "FDA_Category_D_and_X_Top_Rank": -0.0945892, "Placenta_Crossing_L1000_Similarity": 0.417725, "Placenta_Crossing_Structural_Similarity": -0.599933, "Placenta_Crossing_Weighted_Contribution": -0.463987, "Placenta_Crossing_Top_Rank": -0.0842287, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44208964": { "type": "Drug", "properties": { "id": "CID:44208964", "label": "sdz-nkt-343", "lsm": "LSM-1838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44208964", "FDA_Category_D_L1000_Similarity": 0.886558, "FDA_Category_D_Structural_Similarity": 0.256597, "FDA_Category_D_Weighted_Contribution": 0.659857, "FDA_Category_D_Top_Rank": -0.0721754, "FDA_Category_X_L1000_Similarity": 0.819106, "FDA_Category_X_Structural_Similarity": -0.386476, "FDA_Category_X_Weighted_Contribution": -0.099907, "FDA_Category_X_Top_Rank": -0.0764565, "FDA_Category_D_and_X_L1000_Similarity": 1.01297, "FDA_Category_D_and_X_Structural_Similarity": -0.00487631, "FDA_Category_D_and_X_Weighted_Contribution": 0.40339, "FDA_Category_D_and_X_Top_Rank": -0.0683282, "Placenta_Crossing_L1000_Similarity": 0.161393, "Placenta_Crossing_Structural_Similarity": 0.968405, "Placenta_Crossing_Weighted_Contribution": 0.917963, "Placenta_Crossing_Top_Rank": -0.0516871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC1=CC=CC=C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-]", "InChI_key": "PCVSIMQAFWRUEC-UHFFFAOYSA-N" } }, "CID:44219749": { "type": "Drug", "properties": { "id": "CID:44219749", "label": "wye-354", "lsm": "LSM-5840", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44219749", "FDA_Category_D_L1000_Similarity": -2.26053, "FDA_Category_D_Structural_Similarity": 0.739344, "FDA_Category_D_Weighted_Contribution": -0.603074, "FDA_Category_D_Top_Rank": -0.0627493, "FDA_Category_X_L1000_Similarity": -2.06981, "FDA_Category_X_Structural_Similarity": 0.041349, "FDA_Category_X_Weighted_Contribution": -0.9267, "FDA_Category_X_Top_Rank": -0.078785, "FDA_Category_D_and_X_L1000_Similarity": -2.57718, "FDA_Category_D_and_X_Structural_Similarity": 0.609139, "FDA_Category_D_and_X_Weighted_Contribution": -0.786917, "FDA_Category_D_and_X_Top_Rank": -0.0705482, "Placenta_Crossing_L1000_Similarity": -1.67269, "Placenta_Crossing_Structural_Similarity": -0.000554703, "Placenta_Crossing_Weighted_Contribution": -0.802605, "Placenta_Crossing_Top_Rank": -0.0823721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5", "InChI_key": "IMXHGCRIEAKIBU-UHFFFAOYSA-N" } }, "CID:44246715": { "type": "Drug", "properties": { "id": "CID:44246715", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44246715", "label": "Metacycline", "FDA_Category_D_L1000_Similarity": -1.20066, "FDA_Category_D_Structural_Similarity": 6.30532, "FDA_Category_D_Weighted_Contribution": 4.16424, "FDA_Category_D_Top_Rank": 2.28952, "FDA_Category_X_L1000_Similarity": -0.849057, "FDA_Category_X_Structural_Similarity": 1.04383, "FDA_Category_X_Weighted_Contribution": 0.509302, "FDA_Category_X_Top_Rank": -0.0386054, "FDA_Category_D_and_X_L1000_Similarity": -1.29283, "FDA_Category_D_and_X_Structural_Similarity": 5.56786, "FDA_Category_D_and_X_Weighted_Contribution": 3.8509, "FDA_Category_D_and_X_Top_Rank": 1.8109, "Placenta_Crossing_L1000_Similarity": -1.44849, "Placenta_Crossing_Structural_Similarity": 2.09762, "Placenta_Crossing_Weighted_Contribution": 1.25518, "Placenta_Crossing_Top_Rank": 0.04123, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44251479": { "type": "Drug", "properties": { "id": "CID:44251479", "label": "vu-0405166-2", "lsm": "LSM-3245", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44251479", "FDA_Category_D_L1000_Similarity": 0.43165, "FDA_Category_D_Structural_Similarity": -0.787883, "FDA_Category_D_Weighted_Contribution": -0.565378, "FDA_Category_D_Top_Rank": -0.0866305, "FDA_Category_X_L1000_Similarity": -0.920638, "FDA_Category_X_Structural_Similarity": -0.686032, "FDA_Category_X_Weighted_Contribution": -1.02482, "FDA_Category_X_Top_Rank": -0.0911309, "FDA_Category_D_and_X_L1000_Similarity": 0.0925051, "FDA_Category_D_and_X_Structural_Similarity": -0.995533, "FDA_Category_D_and_X_Weighted_Contribution": -0.857695, "FDA_Category_D_and_X_Top_Rank": -0.0913916, "Placenta_Crossing_L1000_Similarity": 0.298913, "Placenta_Crossing_Structural_Similarity": -0.998564, "Placenta_Crossing_Weighted_Contribution": -0.80113, "Placenta_Crossing_Top_Rank": -0.0856658, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=NN=C(O2)NC(=O)COC3=C(C=C(C=C3)F)Cl)F)F", "InChI_key": "IEADXLJHWWTTJK-UHFFFAOYSA-N" } }, "CID:442544": { "type": "Drug", "properties": { "id": "CID:442544", "label": "tremulacin", "lsm": "LSM-5099", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442544", "FDA_Category_D_L1000_Similarity": -0.452106, "FDA_Category_D_Structural_Similarity": 2.41433, "FDA_Category_D_Weighted_Contribution": 2.13437, "FDA_Category_D_Top_Rank": 0.119441, "FDA_Category_X_L1000_Similarity": -0.756762, "FDA_Category_X_Structural_Similarity": -0.446595, "FDA_Category_X_Weighted_Contribution": -0.810005, "FDA_Category_X_Top_Rank": -0.0890009, "FDA_Category_D_and_X_L1000_Similarity": -0.619542, "FDA_Category_D_and_X_Structural_Similarity": 1.67531, "FDA_Category_D_and_X_Weighted_Contribution": 1.20695, "FDA_Category_D_and_X_Top_Rank": 0.00192647, "Placenta_Crossing_L1000_Similarity": -1.42145, "Placenta_Crossing_Structural_Similarity": -0.386365, "Placenta_Crossing_Weighted_Contribution": -0.966817, "Placenta_Crossing_Top_Rank": -0.0885415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=CC=C4)O", "InChI_key": "RCKCYCDBDYUIGM-LFMHJWGUSA-N" } }, "CID:44257": { "type": "Drug", "properties": { "id": "CID:44257", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44257", "label": "sapropterin", "FDA_Category_D_L1000_Similarity": 0.608569, "FDA_Category_X_L1000_Similarity": 0.56514, "FDA_Category_D_and_X_L1000_Similarity": 0.696219, "Placenta_Crossing_L1000_Similarity": 0.182272, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1CNC2=C(N1)C(=O)N=C(N2)N)O)O", "InChI_key": "FNKQXYHWGSIFBK-RPDRRWSUSA-N" } }, "CID:442912": { "type": "Drug", "properties": { "id": "CID:442912", "label": "hydroquinidine", "lsm": "LSM-1275", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442912", "FDA_Category_D_L1000_Similarity": -0.280672, "FDA_Category_X_L1000_Similarity": 2.37592, "FDA_Category_D_and_X_L1000_Similarity": 0.479577, "Placenta_Crossing_L1000_Similarity": 1.14558, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:442972": { "type": "Drug", "properties": { "id": "CID:442972", "label": "cyclopamine", "lsm": "LSM-4304", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442972", "FDA_Category_D_L1000_Similarity": 0.188795, "FDA_Category_D_Structural_Similarity": -0.534862, "FDA_Category_D_Weighted_Contribution": -0.478134, "FDA_Category_D_Top_Rank": -0.0903338, "FDA_Category_X_L1000_Similarity": 0.395128, "FDA_Category_X_Structural_Similarity": 2.87866, "FDA_Category_X_Weighted_Contribution": 3.09918, "FDA_Category_X_Top_Rank": 0.185766, "FDA_Category_D_and_X_L1000_Similarity": 0.282738, "FDA_Category_D_and_X_Structural_Similarity": 1.12879, "FDA_Category_D_and_X_Weighted_Contribution": 1.16331, "FDA_Category_D_and_X_Top_Rank": -0.0437878, "Placenta_Crossing_L1000_Similarity": -0.736303, "Placenta_Crossing_Structural_Similarity": -0.418529, "Placenta_Crossing_Weighted_Contribution": -0.763882, "Placenta_Crossing_Top_Rank": -0.0888943, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1", "InChI_key": "QASFUMOKHFSJGL-LAFRSMQTSA-N" } }, "CID:443389": { "type": "Drug", "properties": { "id": "CID:443389", "label": "sb-221284", "lsm": "LSM-2316", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/443389", "FDA_Category_D_L1000_Similarity": 0.182109, "FDA_Category_D_Structural_Similarity": -0.297723, "FDA_Category_D_Weighted_Contribution": -0.283534, "FDA_Category_D_Top_Rank": -0.0904075, "FDA_Category_X_L1000_Similarity": 0.767004, "FDA_Category_X_Structural_Similarity": 0.0959207, "FDA_Category_X_Weighted_Contribution": 0.360291, "FDA_Category_X_Top_Rank": -0.0772298, "FDA_Category_D_and_X_L1000_Similarity": 0.389905, "FDA_Category_D_and_X_Structural_Similarity": -0.184548, "FDA_Category_D_and_X_Weighted_Contribution": -0.102824, "FDA_Category_D_and_X_Top_Rank": -0.0876163, "Placenta_Crossing_L1000_Similarity": 1.30848, "Placenta_Crossing_Structural_Similarity": -0.0832288, "Placenta_Crossing_Weighted_Contribution": 0.424669, "Placenta_Crossing_Top_Rank": -0.0548339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CSC1=C(C=C2C(=C1)CCN2C(=O)NC3=CN=CC=C3)C(F)(F)F", "InChI_key": "OQZOXHCRSXYSPM-UHFFFAOYSA-N" } }, "CID:44386188": { "type": "Drug", "properties": { "id": "CID:44386188", "label": "3-deazaadenosine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44386188", "FDA_Category_D_L1000_Similarity": 0.163134, "FDA_Category_D_Structural_Similarity": 1.68592, "FDA_Category_D_Weighted_Contribution": 1.75092, "FDA_Category_D_Top_Rank": 0.0036038, "FDA_Category_X_L1000_Similarity": 1.08368, "FDA_Category_X_Structural_Similarity": -0.232304, "FDA_Category_X_Weighted_Contribution": 0.183636, "FDA_Category_X_Top_Rank": -0.0686525, "FDA_Category_D_and_X_L1000_Similarity": 0.469716, "FDA_Category_D_and_X_Structural_Similarity": 1.21279, "FDA_Category_D_and_X_Weighted_Contribution": 1.36543, "FDA_Category_D_and_X_Top_Rank": -0.0382368, "Placenta_Crossing_L1000_Similarity": 0.823289, "Placenta_Crossing_Structural_Similarity": 0.448346, "Placenta_Crossing_Weighted_Contribution": 0.721518, "Placenta_Crossing_Top_Rank": -0.0710887, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44456237": { "type": "Drug", "properties": { "id": "CID:44456237", "label": "sid-26681509", "lsm": "LSM-6214", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44456237", "FDA_Category_D_L1000_Similarity": 1.00192, "FDA_Category_D_Structural_Similarity": 1.86724, "FDA_Category_D_Weighted_Contribution": 2.43293, "FDA_Category_D_Top_Rank": 0.028574, "FDA_Category_X_L1000_Similarity": 1.51381, "FDA_Category_X_Structural_Similarity": 0.568853, "FDA_Category_X_Weighted_Contribution": 1.30287, "FDA_Category_X_Top_Rank": -0.046103, "FDA_Category_D_and_X_L1000_Similarity": 1.32339, "FDA_Category_D_and_X_Structural_Similarity": 1.789, "FDA_Category_D_and_X_Weighted_Contribution": 2.4286, "FDA_Category_D_and_X_Top_Rank": 0.0158355, "Placenta_Crossing_L1000_Similarity": 1.16466, "Placenta_Crossing_Structural_Similarity": -0.435766, "Placenta_Crossing_Weighted_Contribution": 0.00772751, "Placenta_Crossing_Top_Rank": -0.0636826, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C", "InChI_key": "OTIWAYTTYNFEKL-JOCHJYFZSA-N" } }, "CID:44462758": { "type": "Drug", "properties": { "id": "CID:44462758", "label": "PRT-062607", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44462758", "FDA_Category_D_L1000_Similarity": -0.444412, "FDA_Category_D_Structural_Similarity": -0.60524, "FDA_Category_D_Weighted_Contribution": -0.805147, "FDA_Category_D_Top_Rank": -0.09492, "FDA_Category_X_L1000_Similarity": 2.24779, "FDA_Category_X_Structural_Similarity": -0.492746, "FDA_Category_X_Weighted_Contribution": 0.523496, "FDA_Category_X_Top_Rank": 0.0618968, "FDA_Category_D_and_X_L1000_Similarity": 0.299522, "FDA_Category_D_and_X_Structural_Similarity": -0.746271, "FDA_Category_D_and_X_Weighted_Contribution": -0.605764, "FDA_Category_D_and_X_Top_Rank": -0.0889354, "Placenta_Crossing_L1000_Similarity": 0.673504, "Placenta_Crossing_Structural_Similarity": -0.671822, "Placenta_Crossing_Weighted_Contribution": -0.41737, "Placenta_Crossing_Top_Rank": -0.0794986, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44473132": { "type": "Drug", "properties": { "id": "CID:44473132", "label": "ku-c103676", "lsm": "LSM-1478", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44473132", "FDA_Category_D_L1000_Similarity": 0.820874, "FDA_Category_D_Structural_Similarity": -0.911241, "FDA_Category_D_Weighted_Contribution": -0.483141, "FDA_Category_D_Top_Rank": -0.0749136, "FDA_Category_X_L1000_Similarity": 0.898112, "FDA_Category_X_Structural_Similarity": -0.586169, "FDA_Category_X_Weighted_Contribution": -0.249381, "FDA_Category_X_Top_Rank": -0.0744404, "FDA_Category_D_and_X_L1000_Similarity": 0.980352, "FDA_Category_D_and_X_Structural_Similarity": -1.03956, "FDA_Category_D_and_X_Weighted_Contribution": -0.539345, "FDA_Category_D_and_X_Top_Rank": -0.0702887, "Placenta_Crossing_L1000_Similarity": 0.980571, "Placenta_Crossing_Structural_Similarity": -0.881847, "Placenta_Crossing_Weighted_Contribution": -0.461096, "Placenta_Crossing_Top_Rank": -0.0710476, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)COC3=NOC4=C3C(=CC(=N4)C)C", "InChI_key": "BKCAQRNMUSHHJI-UHFFFAOYSA-N" } }, "CID:44483164": { "type": "Drug", "properties": { "id": "CID:44483164", "label": "ku-c103853", "lsm": "LSM-3459", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483164", "FDA_Category_D_L1000_Similarity": -0.997522, "FDA_Category_D_Structural_Similarity": 0.188272, "FDA_Category_D_Weighted_Contribution": -0.455192, "FDA_Category_D_Top_Rank": -0.0803082, "FDA_Category_X_L1000_Similarity": 0.5087, "FDA_Category_X_Structural_Similarity": -0.544154, "FDA_Category_X_Weighted_Contribution": -0.385547, "FDA_Category_X_Top_Rank": -0.0824245, "FDA_Category_D_and_X_L1000_Similarity": -0.705397, "FDA_Category_D_and_X_Structural_Similarity": -0.144189, "FDA_Category_D_and_X_Weighted_Contribution": -0.576894, "FDA_Category_D_and_X_Top_Rank": -0.0891772, "Placenta_Crossing_L1000_Similarity": 0.150139, "Placenta_Crossing_Structural_Similarity": -0.172078, "Placenta_Crossing_Weighted_Contribution": -0.21959, "Placenta_Crossing_Top_Rank": -0.0855433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1)N2C(=O)C3=C(S2)C=C(C=C3)F)C", "InChI_key": "PEEASZPWHCZXFN-UHFFFAOYSA-N" } }, "CID:44483303": { "type": "Drug", "properties": { "id": "CID:44483303", "label": "gelsemine", "lsm": "LSM-1353", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483303", "FDA_Category_D_L1000_Similarity": 0.692865, "FDA_Category_D_Structural_Similarity": -0.899694, "FDA_Category_D_Weighted_Contribution": -0.533375, "FDA_Category_D_Top_Rank": -0.0798171, "FDA_Category_X_L1000_Similarity": 0.675226, "FDA_Category_X_Structural_Similarity": -0.441203, "FDA_Category_X_Weighted_Contribution": -0.218742, "FDA_Category_X_Top_Rank": -0.0796531, "FDA_Category_D_and_X_L1000_Similarity": 0.802312, "FDA_Category_D_and_X_Structural_Similarity": -0.952171, "FDA_Category_D_and_X_Weighted_Contribution": -0.548806, "FDA_Category_D_and_X_Top_Rank": -0.0776367, "Placenta_Crossing_L1000_Similarity": 0.894526, "Placenta_Crossing_Structural_Similarity": -0.852804, "Placenta_Crossing_Weighted_Contribution": -0.472735, "Placenta_Crossing_Top_Rank": -0.0738026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C", "InChI_key": "NFYYATWFXNPTRM-KMXOBDGGSA-N" } }, "CID:44483336": { "type": "Drug", "properties": { "id": "CID:44483336", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483336", "label": "fluticasone", "ref": "LSM-5328", "FDA_Category_D_L1000_Similarity": 1.19565, "FDA_Category_D_Structural_Similarity": -0.66032, "FDA_Category_D_Weighted_Contribution": -0.0767901, "FDA_Category_D_Top_Rank": -0.0493137, "FDA_Category_X_L1000_Similarity": -0.972672, "FDA_Category_X_Structural_Similarity": -0.335743, "FDA_Category_X_Weighted_Contribution": -0.807997, "FDA_Category_X_Top_Rank": -0.0871033, "FDA_Category_D_and_X_L1000_Similarity": 0.735287, "FDA_Category_D_and_X_Structural_Similarity": -0.705271, "FDA_Category_D_and_X_Weighted_Contribution": -0.38373, "FDA_Category_D_and_X_Top_Rank": -0.0800665, "Placenta_Crossing_L1000_Similarity": 1.3761, "Placenta_Crossing_Structural_Similarity": -0.540999, "Placenta_Crossing_Weighted_Contribution": 0.00962727, "Placenta_Crossing_Top_Rank": -0.0504923, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)CO)C(=O)SCF)C)O)F)C)F", "InChI_key": "RZXNVYCLMORIIB-UHFFFAOYSA-N" } }, "CID:44483355": { "type": "Drug", "properties": { "id": "CID:44483355", "label": "embelin", "lsm": "LSM-3937", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483355", "FDA_Category_D_L1000_Similarity": -0.159284, "FDA_Category_D_Structural_Similarity": -0.528295, "FDA_Category_D_Weighted_Contribution": -0.631073, "FDA_Category_D_Top_Rank": -0.0934316, "FDA_Category_X_L1000_Similarity": -0.643299, "FDA_Category_X_Structural_Similarity": 0.0883522, "FDA_Category_X_Weighted_Contribution": -0.336377, "FDA_Category_X_Top_Rank": -0.0774805, "FDA_Category_D_and_X_L1000_Similarity": -0.332663, "FDA_Category_D_and_X_Structural_Similarity": -0.37164, "FDA_Category_D_and_X_Weighted_Contribution": -0.590732, "FDA_Category_D_and_X_Top_Rank": -0.0926525, "Placenta_Crossing_L1000_Similarity": 0.415328, "Placenta_Crossing_Structural_Similarity": 0.308959, "Placenta_Crossing_Weighted_Contribution": 0.36287, "Placenta_Crossing_Top_Rank": -0.0748651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O", "InChI_key": "FNQDSLSOLMXCMU-UHFFFAOYSA-N" } }, "CID:44484501": { "type": "Drug", "properties": { "id": "CID:44484501", "label": "SA-244466", "lsm": "LSM-15079", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484501", "FDA_Category_D_L1000_Similarity": 0.182885, "FDA_Category_D_Structural_Similarity": -0.389234, "FDA_Category_D_Weighted_Contribution": -0.361257, "FDA_Category_D_Top_Rank": -0.0903991, "FDA_Category_X_L1000_Similarity": 1.07853, "FDA_Category_X_Structural_Similarity": 0.336127, "FDA_Category_X_Weighted_Contribution": 0.792128, "FDA_Category_X_Top_Rank": -0.0682508, "FDA_Category_D_and_X_L1000_Similarity": 0.48518, "FDA_Category_D_and_X_Structural_Similarity": -0.127568, "FDA_Category_D_and_X_Weighted_Contribution": -0.00209511, "FDA_Category_D_and_X_Top_Rank": -0.085939, "Placenta_Crossing_L1000_Similarity": 1.03458, "Placenta_Crossing_Structural_Similarity": -0.773591, "Placenta_Crossing_Weighted_Contribution": -0.350268, "Placenta_Crossing_Top_Rank": -0.0693079, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44487898": { "type": "Drug", "properties": { "id": "CID:44487898", "label": "SA-88642", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44487898", "FDA_Category_D_L1000_Similarity": -0.853492, "FDA_Category_D_Structural_Similarity": -0.167715, "FDA_Category_D_Weighted_Contribution": -0.66513, "FDA_Category_D_Top_Rank": -0.0888364, "FDA_Category_X_L1000_Similarity": 0.292022, "FDA_Category_X_Structural_Similarity": 0.518618, "FDA_Category_X_Weighted_Contribution": 0.55903, "FDA_Category_X_Top_Rank": -0.0612459, "FDA_Category_D_and_X_L1000_Similarity": -0.647037, "FDA_Category_D_and_X_Structural_Similarity": 0.146726, "FDA_Category_D_and_X_Weighted_Contribution": -0.319976, "FDA_Category_D_and_X_Top_Rank": -0.0829667, "Placenta_Crossing_L1000_Similarity": -0.740277, "Placenta_Crossing_Structural_Similarity": 0.679558, "Placenta_Crossing_Weighted_Contribution": 0.149523, "Placenta_Crossing_Top_Rank": -0.0637047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44489454": { "type": "Drug", "properties": { "id": "CID:44489454", "label": "SA-84902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489454", "FDA_Category_D_L1000_Similarity": 1.72366, "FDA_Category_X_L1000_Similarity": 2.09594, "FDA_Category_D_and_X_L1000_Similarity": 2.12232, "Placenta_Crossing_L1000_Similarity": 1.9293, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44490413": { "type": "Drug", "properties": { "id": "CID:44490413", "label": "sa-432998", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44490413", "FDA_Category_D_L1000_Similarity": 1.56897, "FDA_Category_X_L1000_Similarity": -0.231076, "FDA_Category_D_and_X_L1000_Similarity": 1.2823, "Placenta_Crossing_L1000_Similarity": 1.95269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)CCCN(C)C", "InChI_key": "YRAOJEGTHQJVGH-ZTVFFDQVSA-N" } }, "CID:44492086": { "type": "Drug", "properties": { "id": "CID:44492086", "label": "sd-8-006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44492086", "FDA_Category_D_L1000_Similarity": -0.66741, "FDA_Category_X_L1000_Similarity": 0.117508, "FDA_Category_D_and_X_L1000_Similarity": -0.539636, "Placenta_Crossing_L1000_Similarity": -0.519628, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(C)CO)C)CN(C)C(=O)CCC(F)(F)F", "InChI_key": "QYHFPUZBYVVXLB-CDLOMYRSSA-N" } }, "CID:44493394": { "type": "Drug", "properties": { "id": "CID:44493394", "label": "SA-90377", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44493394", "FDA_Category_D_L1000_Similarity": -0.636547, "FDA_Category_X_L1000_Similarity": 1.26236, "FDA_Category_D_and_X_L1000_Similarity": -0.165346, "Placenta_Crossing_L1000_Similarity": -0.454837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44497312": { "type": "Drug", "properties": { "id": "CID:44497312", "label": "sd-6-035-b3", "lsm": "LSM-6809", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44497312", "FDA_Category_D_L1000_Similarity": 0.178038, "FDA_Category_X_L1000_Similarity": 0.815239, "FDA_Category_D_and_X_L1000_Similarity": 0.401047, "Placenta_Crossing_L1000_Similarity": 0.665276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-FFBJJBDJSA-N" } }, "CID:44498557": { "type": "Drug", "properties": { "id": "CID:44498557", "label": "SA-418993", "lsm": "LSM-8215", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44498557", "FDA_Category_D_L1000_Similarity": -0.645205, "FDA_Category_D_Structural_Similarity": -0.0128863, "FDA_Category_D_Weighted_Contribution": -0.451011, "FDA_Category_D_Top_Rank": -0.0854736, "FDA_Category_X_L1000_Similarity": 0.668137, "FDA_Category_X_Structural_Similarity": -0.187746, "FDA_Category_X_Weighted_Contribution": 0.0195597, "FDA_Category_X_Top_Rank": -0.0798368, "FDA_Category_D_and_X_L1000_Similarity": -0.353275, "FDA_Category_D_and_X_Structural_Similarity": -0.111535, "FDA_Category_D_and_X_Weighted_Contribution": -0.397149, "FDA_Category_D_and_X_Top_Rank": -0.0885618, "Placenta_Crossing_L1000_Similarity": 0.456238, "Placenta_Crossing_Structural_Similarity": -0.175057, "Placenta_Crossing_Weighted_Contribution": -0.0834582, "Placenta_Crossing_Top_Rank": -0.0836558, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4450": { "type": "Drug", "properties": { "id": "CID:4450", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4450", "label": "nefopam", "FDA_Category_D_L1000_Similarity": 0.795988, "FDA_Category_D_Structural_Similarity": 2.13989, "FDA_Category_D_Weighted_Contribution": 2.57435, "FDA_Category_D_Top_Rank": 0.0724759, "FDA_Category_X_L1000_Similarity": 0.395428, "FDA_Category_X_Structural_Similarity": -0.710369, "FDA_Category_X_Weighted_Contribution": -0.572275, "FDA_Category_X_Top_Rank": -0.083834, "FDA_Category_D_and_X_L1000_Similarity": 0.806239, "FDA_Category_D_and_X_Structural_Similarity": 1.31515, "FDA_Category_D_and_X_Weighted_Contribution": 1.6737, "FDA_Category_D_and_X_Top_Rank": -0.0299917, "Placenta_Crossing_L1000_Similarity": 0.994329, "Placenta_Crossing_Structural_Similarity": -0.859856, "Placenta_Crossing_Weighted_Contribution": -0.437844, "Placenta_Crossing_Top_Rank": -0.0706573, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3", "InChI_key": "RGPDEAGGEXEMMM-UHFFFAOYSA-N" } }, "CID:44501814": { "type": "Drug", "properties": { "id": "CID:44501814", "label": "sa-103006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44501814", "FDA_Category_D_L1000_Similarity": 0.161952, "FDA_Category_D_Structural_Similarity": 1.35857, "FDA_Category_D_Weighted_Contribution": 1.39609, "FDA_Category_D_Top_Rank": -0.0304434, "FDA_Category_X_L1000_Similarity": 0.311139, "FDA_Category_X_Structural_Similarity": -0.426012, "FDA_Category_X_Weighted_Contribution": -0.368729, "FDA_Category_X_Top_Rank": -0.0848174, "FDA_Category_D_and_X_L1000_Similarity": 0.234093, "FDA_Category_D_and_X_Structural_Similarity": 0.848438, "FDA_Category_D_and_X_Weighted_Contribution": 0.835158, "FDA_Category_D_and_X_Top_Rank": -0.0613752, "Placenta_Crossing_L1000_Similarity": 0.250989, "Placenta_Crossing_Structural_Similarity": 0.40253, "Placenta_Crossing_Weighted_Contribution": 0.373174, "Placenta_Crossing_Top_Rank": -0.0724056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F", "InChI_key": "MAFQTNOLKRXSIQ-YTNVWYNJSA-N" } }, "CID:445070": { "type": "Drug", "properties": { "id": "CID:445070", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID445070", "label": "farnesol", "FDA_Category_D_L1000_Similarity": 0.625551, "FDA_Category_D_Structural_Similarity": -0.924148, "FDA_Category_D_Weighted_Contribution": -0.582844, "FDA_Category_D_Top_Rank": -0.0819186, "FDA_Category_X_L1000_Similarity": 1.10875, "FDA_Category_X_Structural_Similarity": -0.60039, "FDA_Category_X_Weighted_Contribution": -0.165111, "FDA_Category_X_Top_Rank": -0.0677033, "FDA_Category_D_and_X_L1000_Similarity": 0.875935, "FDA_Category_D_and_X_Structural_Similarity": -1.05748, "FDA_Category_D_and_X_Weighted_Contribution": -0.596935, "FDA_Category_D_and_X_Top_Rank": -0.0751023, "Placenta_Crossing_L1000_Similarity": 0.812497, "Placenta_Crossing_Structural_Similarity": -0.86804, "Placenta_Crossing_Weighted_Contribution": -0.517475, "Placenta_Crossing_Top_Rank": -0.0759971, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCCC(=CCO)C)C)C", "InChI_key": "CRDAMVZIKSXKFV-YFVJMOTDSA-N" } }, "CID:44516953": { "type": "Drug", "properties": { "id": "CID:44516953", "label": "gedatolisib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44516953", "FDA_Category_D_L1000_Similarity": -1.77253, "FDA_Category_D_Structural_Similarity": 2.51918, "FDA_Category_D_Weighted_Contribution": 1.42644, "FDA_Category_D_Top_Rank": 0.135141, "FDA_Category_X_L1000_Similarity": -2.72529, "FDA_Category_X_Structural_Similarity": 1.78515, "FDA_Category_X_Weighted_Contribution": 0.298922, "FDA_Category_X_Top_Rank": 0.01447, "FDA_Category_D_and_X_L1000_Similarity": -2.35558, "FDA_Category_D_and_X_Structural_Similarity": 2.96276, "FDA_Category_D_and_X_Weighted_Contribution": 1.54226, "FDA_Category_D_and_X_Top_Rank": 0.196011, "Placenta_Crossing_L1000_Similarity": -1.88507, "Placenta_Crossing_Structural_Similarity": -0.325222, "Placenta_Crossing_Weighted_Contribution": -1.0674, "Placenta_Crossing_Top_Rank": -0.0878505, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6", "InChI_key": "DWZAEMINVBZMHQ-UHFFFAOYSA-N" } }, "CID:445713": { "type": "Drug", "properties": { "id": "CID:445713", "label": "farnesyl diphosphate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/445713", "FDA_Category_D_L1000_Similarity": 0.580699, "FDA_Category_D_Structural_Similarity": 1.5626, "FDA_Category_D_Weighted_Contribution": 1.87936, "FDA_Category_D_Top_Rank": -0.0102882, "FDA_Category_X_L1000_Similarity": 0.0221993, "FDA_Category_X_Structural_Similarity": 4.10389, "FDA_Category_X_Weighted_Contribution": 3.80163, "FDA_Category_X_Top_Rank": 0.592381, "FDA_Category_D_and_X_L1000_Similarity": 0.507306, "FDA_Category_D_and_X_Structural_Similarity": 3.4547, "FDA_Category_D_and_X_Weighted_Contribution": 3.3424, "FDA_Category_D_and_X_Top_Rank": 0.361883, "Placenta_Crossing_L1000_Similarity": 0.799421, "Placenta_Crossing_Structural_Similarity": 0.88292, "Placenta_Crossing_Weighted_Contribution": 1.17481, "Placenta_Crossing_Top_Rank": -0.0561056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C", "InChI_key": "VWFJDQUYCIWHTN-YFVJMOTDSA-N" } }, "CID:44595079": { "type": "Drug", "properties": { "id": "CID:44595079", "label": "cerdulatinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44595079", "FDA_Category_D_L1000_Similarity": -0.574304, "FDA_Category_D_Structural_Similarity": 0.358215, "FDA_Category_D_Weighted_Contribution": -0.0933124, "FDA_Category_D_Top_Rank": -0.0754442, "FDA_Category_X_L1000_Similarity": 0.26933, "FDA_Category_X_Structural_Similarity": -0.35084, "FDA_Category_X_Weighted_Contribution": -0.32085, "FDA_Category_X_Top_Rank": -0.0852416, "FDA_Category_D_and_X_L1000_Similarity": -0.413267, "FDA_Category_D_and_X_Structural_Similarity": 0.0950086, "FDA_Category_D_and_X_Weighted_Contribution": -0.25278, "FDA_Category_D_and_X_Top_Rank": -0.084143, "Placenta_Crossing_L1000_Similarity": -0.0386751, "Placenta_Crossing_Structural_Similarity": 0.843479, "Placenta_Crossing_Weighted_Contribution": 0.677034, "Placenta_Crossing_Top_Rank": -0.0578569, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N", "InChI_key": "BGLPECHZZQDNCD-UHFFFAOYSA-N" } }, "CID:44601476": { "type": "Drug", "properties": { "id": "CID:44601476", "label": "kuc103904n", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44601476", "FDA_Category_D_L1000_Similarity": -1.76, "FDA_Category_D_Structural_Similarity": 0.0364839, "FDA_Category_D_Weighted_Contribution": -0.890296, "FDA_Category_D_Top_Rank": -0.084298, "FDA_Category_X_L1000_Similarity": 0.88928, "FDA_Category_X_Structural_Similarity": -0.296911, "FDA_Category_X_Weighted_Contribution": 0.0210335, "FDA_Category_X_Top_Rank": -0.0747228, "FDA_Category_D_and_X_L1000_Similarity": -1.24709, "FDA_Category_D_and_X_Structural_Similarity": -0.131254, "FDA_Category_D_and_X_Weighted_Contribution": -0.783426, "FDA_Category_D_and_X_Top_Rank": -0.0889527, "Placenta_Crossing_L1000_Similarity": -1.63541, "Placenta_Crossing_Structural_Similarity": 2.98028, "Placenta_Crossing_Weighted_Contribution": 2.08462, "Placenta_Crossing_Top_Rank": 0.192791, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCN(CC3=CC=CC=C3)C(C)C", "InChI_key": "HTGXHXMUOZRDNL-UHFFFAOYSA-N" } }, "CID:44602374": { "type": "Drug", "properties": { "id": "CID:44602374", "label": "ku-c104122", "lsm": "LSM-3825", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602374", "FDA_Category_D_L1000_Similarity": 0.906465, "FDA_Category_D_Structural_Similarity": 2.21052, "FDA_Category_D_Weighted_Contribution": 2.69539, "FDA_Category_D_Top_Rank": 0.0827054, "FDA_Category_X_L1000_Similarity": 0.0465892, "FDA_Category_X_Structural_Similarity": -0.496745, "FDA_Category_X_Weighted_Contribution": -0.540583, "FDA_Category_X_Top_Rank": -0.087264, "FDA_Category_D_and_X_L1000_Similarity": 0.79554, "FDA_Category_D_and_X_Structural_Similarity": 1.48648, "FDA_Category_D_and_X_Weighted_Contribution": 1.84525, "FDA_Category_D_and_X_Top_Rank": -0.0165697, "Placenta_Crossing_L1000_Similarity": 0.800232, "Placenta_Crossing_Structural_Similarity": -0.560994, "Placenta_Crossing_Weighted_Contribution": -0.270859, "Placenta_Crossing_Top_Rank": -0.0763683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2", "InChI_key": "OCAUOKFPSQKCAA-UHFFFAOYSA-N" } }, "CID:44602375": { "type": "Drug", "properties": { "id": "CID:44602375", "label": "ku-c104123", "lsm": "LSM-2866", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602375", "FDA_Category_D_L1000_Similarity": 0.153123, "FDA_Category_D_Structural_Similarity": 2.21803, "FDA_Category_D_Weighted_Contribution": 2.2919, "FDA_Category_D_Top_Rank": 0.0863854, "FDA_Category_X_L1000_Similarity": -0.452269, "FDA_Category_X_Structural_Similarity": -0.47037, "FDA_Category_X_Weighted_Contribution": -0.715723, "FDA_Category_X_Top_Rank": -0.0893689, "FDA_Category_D_and_X_L1000_Similarity": -0.0053456, "FDA_Category_D_and_X_Structural_Similarity": 1.50667, "FDA_Category_D_and_X_Weighted_Contribution": 1.39488, "FDA_Category_D_and_X_Top_Rank": -0.0140224, "Placenta_Crossing_L1000_Similarity": -0.211075, "Placenta_Crossing_Structural_Similarity": -0.539378, "Placenta_Crossing_Weighted_Contribution": -0.661001, "Placenta_Crossing_Top_Rank": -0.0896429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)CC(=O)NC3=CC=C(C=C3)F", "InChI_key": "FDTNOJJVSFIKKK-UHFFFAOYSA-N" } }, "CID:44607530": { "type": "Drug", "properties": { "id": "CID:44607530", "label": "wz-4002", "lsm": "LSM-1085", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607530", "FDA_Category_D_L1000_Similarity": 0.909677, "FDA_Category_D_Structural_Similarity": -0.361485, "FDA_Category_D_Weighted_Contribution": 0.0466781, "FDA_Category_D_Top_Rank": -0.0709975, "FDA_Category_X_L1000_Similarity": 2.1851, "FDA_Category_X_Structural_Similarity": -0.269473, "FDA_Category_X_Weighted_Contribution": 0.734323, "FDA_Category_X_Top_Rank": 0.0473253, "FDA_Category_D_and_X_L1000_Similarity": 1.44773, "FDA_Category_D_and_X_Structural_Similarity": -0.432322, "FDA_Category_D_and_X_Weighted_Contribution": 0.221155, "FDA_Category_D_and_X_Top_Rank": -0.0307278, "Placenta_Crossing_L1000_Similarity": 0.391197, "Placenta_Crossing_Structural_Similarity": 0.547985, "Placenta_Crossing_Weighted_Contribution": 0.595858, "Placenta_Crossing_Top_Rank": -0.0682606, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC", "InChI_key": "ITTRLTNMFYIYPA-UHFFFAOYSA-N" } }, "CID:44607587": { "type": "Drug", "properties": { "id": "CID:44607587", "label": "ku-c104141", "lsm": "LSM-2964", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607587", "FDA_Category_D_L1000_Similarity": 1.1854, "FDA_Category_D_Structural_Similarity": -0.812328, "FDA_Category_D_Weighted_Contribution": -0.219726, "FDA_Category_D_Top_Rank": -0.0503525, "FDA_Category_X_L1000_Similarity": 0.172251, "FDA_Category_X_Structural_Similarity": -0.479612, "FDA_Category_X_Weighted_Contribution": -0.474292, "FDA_Category_X_Top_Rank": -0.0862008, "FDA_Category_D_and_X_L1000_Similarity": 1.07415, "FDA_Category_D_and_X_Structural_Similarity": -0.903553, "FDA_Category_D_and_X_Weighted_Contribution": -0.390521, "FDA_Category_D_and_X_Top_Rank": -0.0646104, "Placenta_Crossing_L1000_Similarity": 0.422014, "Placenta_Crossing_Structural_Similarity": -0.523502, "Placenta_Crossing_Weighted_Contribution": -0.400446, "Placenta_Crossing_Top_Rank": -0.0841697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=COC=C4)C5=CC=C(C=C5)OC", "InChI_key": "DPBQFUHCNDIONU-UHFFFAOYSA-N" } }, "CID:44607965": { "type": "Drug", "properties": { "id": "CID:44607965", "label": "brd-k00256256", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607965", "FDA_Category_D_L1000_Similarity": -0.124836, "FDA_Category_D_Structural_Similarity": -0.21291, "FDA_Category_D_Weighted_Contribution": -0.364514, "FDA_Category_D_Top_Rank": -0.0897866, "FDA_Category_X_L1000_Similarity": -0.672505, "FDA_Category_X_Structural_Similarity": -0.473052, "FDA_Category_X_Weighted_Contribution": -0.798748, "FDA_Category_X_Top_Rank": -0.0894203, "FDA_Category_D_and_X_L1000_Similarity": -0.311833, "FDA_Category_D_and_X_Structural_Similarity": -0.424247, "FDA_Category_D_and_X_Weighted_Contribution": -0.621001, "FDA_Category_D_and_X_Top_Rank": -0.0932212, "Placenta_Crossing_L1000_Similarity": -0.711949, "Placenta_Crossing_Structural_Similarity": 0.0946491, "Placenta_Crossing_Weighted_Contribution": -0.365082, "Placenta_Crossing_Top_Rank": -0.0802103, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)S(=O)(=O)N2C=CC=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]", "InChI_key": "GUCUORSUHTZMBW-YBFXNURJSA-N" } }, "CID:446157": { "type": "Drug", "properties": { "id": "CID:446157", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446157", "label": "rosuvastatin", "FDA_Category_D_L1000_Similarity": 0.0786522, "FDA_Category_D_Structural_Similarity": 0.643733, "FDA_Category_D_Weighted_Contribution": 0.568967, "FDA_Category_D_Top_Rank": -0.0660122, "FDA_Category_X_L1000_Similarity": 1.62035, "FDA_Category_X_Structural_Similarity": 9.01582, "FDA_Category_X_Weighted_Contribution": 4.704, "FDA_Category_X_Top_Rank": 3.28903, "FDA_Category_D_and_X_L1000_Similarity": 0.55987, "FDA_Category_D_and_X_Structural_Similarity": 5.37584, "FDA_Category_D_and_X_Weighted_Contribution": 4.08073, "FDA_Category_D_and_X_Top_Rank": 1.58573, "Placenta_Crossing_L1000_Similarity": -0.197811, "Placenta_Crossing_Structural_Similarity": 5.31644, "Placenta_Crossing_Weighted_Contribution": 4.00513, "Placenta_Crossing_Top_Rank": 1.25537, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C", "InChI_key": "BPRHUIZQVSMCRT-VEUZHWNKSA-N" } }, "CID:44616591": { "type": "Drug", "properties": { "id": "CID:44616591", "label": "SA-427069", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44616591", "FDA_Category_D_L1000_Similarity": 0.246033, "FDA_Category_D_Structural_Similarity": -0.108434, "FDA_Category_D_Weighted_Contribution": -0.0806627, "FDA_Category_D_Top_Rank": -0.08772, "FDA_Category_X_L1000_Similarity": 0.498751, "FDA_Category_X_Structural_Similarity": 0.277378, "FDA_Category_X_Weighted_Contribution": 0.410444, "FDA_Category_X_Top_Rank": -0.070633, "FDA_Category_D_and_X_L1000_Similarity": 0.363544, "FDA_Category_D_and_X_Structural_Similarity": 0.0636069, "FDA_Category_D_and_X_Weighted_Contribution": 0.113381, "FDA_Category_D_and_X_Top_Rank": -0.0849983, "Placenta_Crossing_L1000_Similarity": -0.626891, "Placenta_Crossing_Structural_Similarity": -0.0489869, "Placenta_Crossing_Weighted_Contribution": -0.447171, "Placenta_Crossing_Top_Rank": -0.0832052, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44618017": { "type": "Drug", "properties": { "id": "CID:44618017", "label": "SA-427137", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44618017", "FDA_Category_D_L1000_Similarity": -0.247048, "FDA_Category_X_L1000_Similarity": 0.108794, "FDA_Category_D_and_X_L1000_Similarity": -0.179917, "Placenta_Crossing_L1000_Similarity": -0.552735, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44618423": { "type": "Drug", "properties": { "id": "CID:44618423", "label": "sd-6-035-a1", "lsm": "LSM-6804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44618423", "FDA_Category_D_L1000_Similarity": 0.36085, "FDA_Category_X_L1000_Similarity": 0.876182, "FDA_Category_D_and_X_L1000_Similarity": 0.577136, "Placenta_Crossing_L1000_Similarity": 0.170766, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-ILSPQUDCSA-N" } }, "CID:44623838": { "type": "Drug", "properties": { "id": "CID:44623838", "label": "ku-c104224", "lsm": "LSM-2448", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623838", "FDA_Category_D_L1000_Similarity": 0.536724, "FDA_Category_D_Structural_Similarity": -0.401084, "FDA_Category_D_Weighted_Contribution": -0.191832, "FDA_Category_D_Top_Rank": -0.0843657, "FDA_Category_X_L1000_Similarity": 0.814694, "FDA_Category_X_Structural_Similarity": -0.691423, "FDA_Category_X_Weighted_Contribution": -0.380453, "FDA_Category_X_Top_Rank": -0.076533, "FDA_Category_D_and_X_L1000_Similarity": 0.710071, "FDA_Category_D_and_X_Structural_Similarity": -0.691434, "FDA_Category_D_and_X_Weighted_Contribution": -0.383974, "FDA_Category_D_and_X_Top_Rank": -0.0809591, "Placenta_Crossing_L1000_Similarity": 0.853224, "Placenta_Crossing_Structural_Similarity": -0.711847, "Placenta_Crossing_Weighted_Contribution": -0.375418, "Placenta_Crossing_Top_Rank": -0.0749158, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)C#N", "InChI_key": "XQEDKYZZOOXEPS-UHFFFAOYSA-N" } }, "CID:446313": { "type": "Drug", "properties": { "id": "CID:446313", "label": "sr12813", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/446313", "FDA_Category_D_L1000_Similarity": -0.990308, "FDA_Category_D_Structural_Similarity": -0.727709, "FDA_Category_D_Weighted_Contribution": -1.0789, "FDA_Category_D_Top_Rank": -0.0960554, "FDA_Category_X_L1000_Similarity": 0.542194, "FDA_Category_X_Structural_Similarity": -0.677362, "FDA_Category_X_Weighted_Contribution": -0.484878, "FDA_Category_X_Top_Rank": -0.0819139, "FDA_Category_D_and_X_L1000_Similarity": -0.689, "FDA_Category_D_and_X_Structural_Similarity": -0.943094, "FDA_Category_D_and_X_Weighted_Contribution": -1.08477, "FDA_Category_D_and_X_Top_Rank": -0.0956438, "Placenta_Crossing_L1000_Similarity": -0.0809986, "Placenta_Crossing_Structural_Similarity": -0.617377, "Placenta_Crossing_Weighted_Contribution": -0.669709, "Placenta_Crossing_Top_Rank": -0.0888596, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC", "InChI_key": "YQLJDECYQDRSBI-UHFFFAOYSA-N" } }, "CID:44640178": { "type": "Drug", "properties": { "id": "CID:44640178", "label": "ku-c104488", "lsm": "LSM-3439", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44640178", "FDA_Category_D_L1000_Similarity": -1.05084, "FDA_Category_D_Structural_Similarity": -0.685128, "FDA_Category_D_Weighted_Contribution": -1.0749, "FDA_Category_D_Top_Rank": -0.0957269, "FDA_Category_X_L1000_Similarity": 0.727174, "FDA_Category_X_Structural_Similarity": -0.618633, "FDA_Category_X_Weighted_Contribution": -0.355076, "FDA_Category_X_Top_Rank": -0.0785723, "FDA_Category_D_and_X_L1000_Similarity": -0.685014, "FDA_Category_D_and_X_Structural_Similarity": -0.877607, "FDA_Category_D_and_X_Weighted_Contribution": -1.0477, "FDA_Category_D_and_X_Top_Rank": -0.0956285, "Placenta_Crossing_L1000_Similarity": 0.497428, "Placenta_Crossing_Structural_Similarity": -0.3386, "Placenta_Crossing_Weighted_Contribution": -0.211127, "Placenta_Crossing_Top_Rank": -0.0830257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=C3C(=CC(=NC3=NN2)N4CCN(CC4)C(=O)C5=COC=C5)C(F)(F)F", "InChI_key": "HCGIAWLZAHTREB-UHFFFAOYSA-N" } }, "CID:44665680": { "type": "Drug", "properties": { "id": "CID:44665680", "label": "kuc104502n", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44665680", "FDA_Category_D_L1000_Similarity": 0.826622, "FDA_Category_D_Structural_Similarity": 1.24333, "FDA_Category_D_Weighted_Contribution": 1.69307, "FDA_Category_D_Top_Rank": -0.0378032, "FDA_Category_X_L1000_Similarity": -0.588747, "FDA_Category_X_Structural_Similarity": -0.596998, "FDA_Category_X_Weighted_Contribution": -0.856756, "FDA_Category_X_Top_Rank": -0.090321, "FDA_Category_D_and_X_L1000_Similarity": 0.533769, "FDA_Category_D_and_X_Structural_Similarity": 0.664711, "FDA_Category_D_and_X_Weighted_Contribution": 0.818509, "FDA_Category_D_and_X_Top_Rank": -0.0685576, "Placenta_Crossing_L1000_Similarity": 0.501491, "Placenta_Crossing_Structural_Similarity": -0.475294, "Placenta_Crossing_Weighted_Contribution": -0.326905, "Placenta_Crossing_Top_Rank": -0.0829431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=NC=C1)N(C(=O)C3=CC=CN32)CC(=O)NCCCN4CCN(CC4)C5=CC=C(C=C5)OC", "InChI_key": "PMTIWRPLQBVEMR-UHFFFAOYSA-N" } }, "CID:448281": { "type": "Drug", "properties": { "id": "CID:448281", "label": "ore-1001", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/448281", "FDA_Category_D_L1000_Similarity": 0.839909, "FDA_Category_D_Structural_Similarity": 1.13881, "FDA_Category_D_Weighted_Contribution": 1.58883, "FDA_Category_D_Top_Rank": -0.0436868, "FDA_Category_X_L1000_Similarity": 0.675798, "FDA_Category_X_Structural_Similarity": -0.19789, "FDA_Category_X_Weighted_Contribution": 0.0133488, "FDA_Category_X_Top_Rank": -0.0796097, "FDA_Category_D_and_X_L1000_Similarity": 0.92925, "FDA_Category_D_and_X_Structural_Similarity": 0.797105, "FDA_Category_D_and_X_Weighted_Contribution": 1.19624, "FDA_Category_D_and_X_Top_Rank": -0.0633895, "Placenta_Crossing_L1000_Similarity": 0.698602, "Placenta_Crossing_Structural_Similarity": 1.33902, "Placenta_Crossing_Weighted_Contribution": 1.61058, "Placenta_Crossing_Top_Rank": -0.0306414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)O)NC(CC1=CN=CN1CC2=CC(=CC(=C2)Cl)Cl)C(=O)O", "InChI_key": "NTCCRGGIJNDEAB-IRXDYDNUSA-N" } }, "CID:44828476": { "type": "Drug", "properties": { "id": "CID:44828476", "label": "ku-c104545n", "lsm": "LSM-2814", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44828476", "FDA_Category_D_L1000_Similarity": -0.62782, "FDA_Category_D_Structural_Similarity": 1.04319, "FDA_Category_D_Weighted_Contribution": 0.554002, "FDA_Category_D_Top_Rank": -0.0482857, "FDA_Category_X_L1000_Similarity": -1.43244, "FDA_Category_X_Structural_Similarity": -0.584902, "FDA_Category_X_Weighted_Contribution": -1.11801, "FDA_Category_X_Top_Rank": -0.0909022, "FDA_Category_D_and_X_L1000_Similarity": -0.976195, "FDA_Category_D_and_X_Structural_Similarity": 0.512382, "FDA_Category_D_and_X_Weighted_Contribution": -0.164191, "FDA_Category_D_and_X_Top_Rank": -0.0735221, "Placenta_Crossing_L1000_Similarity": -1.03439, "Placenta_Crossing_Structural_Similarity": -0.5937, "Placenta_Crossing_Weighted_Contribution": -0.973397, "Placenta_Crossing_Top_Rank": -0.0905125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCNC(=O)CN2C3=C(C=CC=N3)N4C=CC=C4C2=O)C5=CC=C(C=C5)Cl", "InChI_key": "GESGZCWZXRTSCL-UHFFFAOYSA-N" } }, "CID:448799": { "type": "Drug", "properties": { "id": "CID:448799", "label": "epothilone-a", "lsm": "LSM-5798", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/448799", "FDA_Category_D_L1000_Similarity": -0.201778, "FDA_Category_D_Structural_Similarity": 2.59159, "FDA_Category_D_Weighted_Contribution": 2.45137, "FDA_Category_D_Top_Rank": 0.147627, "FDA_Category_X_L1000_Similarity": -0.575744, "FDA_Category_X_Structural_Similarity": 0.769386, "FDA_Category_X_Weighted_Contribution": 0.361928, "FDA_Category_X_Top_Rank": -0.0510824, "FDA_Category_D_and_X_L1000_Similarity": -0.348783, "FDA_Category_D_and_X_Structural_Similarity": 2.47214, "FDA_Category_D_and_X_Weighted_Contribution": 2.18925, "FDA_Category_D_and_X_Top_Rank": 0.102757, "Placenta_Crossing_L1000_Similarity": 0.0937073, "Placenta_Crossing_Structural_Similarity": 0.740663, "Placenta_Crossing_Weighted_Contribution": 0.639555, "Placenta_Crossing_Top_Rank": -0.0616902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C", "InChI_key": "HESCAJZNRMSMJG-KKQRBIROSA-N" } }, "CID:449241": { "type": "Drug", "properties": { "id": "CID:449241", "label": "n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide", "lsm": "LSM-2608", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/449241", "FDA_Category_D_L1000_Similarity": -0.750751, "FDA_Category_D_Structural_Similarity": -0.219235, "FDA_Category_D_Weighted_Contribution": -0.658766, "FDA_Category_D_Top_Rank": -0.0899034, "FDA_Category_X_L1000_Similarity": 1.8213, "FDA_Category_X_Structural_Similarity": -0.662952, "FDA_Category_X_Weighted_Contribution": 0.121112, "FDA_Category_X_Top_Rank": -0.0157277, "FDA_Category_D_and_X_L1000_Similarity": -0.0940615, "FDA_Category_D_and_X_Structural_Similarity": -0.531736, "FDA_Category_D_and_X_Weighted_Contribution": -0.610267, "FDA_Category_D_and_X_Top_Rank": -0.0929413, "Placenta_Crossing_L1000_Similarity": -1.01571, "Placenta_Crossing_Structural_Similarity": -0.869297, "Placenta_Crossing_Weighted_Contribution": -1.12326, "Placenta_Crossing_Top_Rank": -0.0918366, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br", "InChI_key": "ZKZXNDJNWUTGDK-NSCUHMNNSA-N" } }, "CID:44968231": { "type": "Drug", "properties": { "id": "CID:44968231", "label": "brd-k64835161", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44968231", "FDA_Category_D_L1000_Similarity": -0.429534, "FDA_Category_D_Structural_Similarity": 0.570297, "FDA_Category_D_Weighted_Contribution": 0.190005, "FDA_Category_D_Top_Rank": -0.0684973, "FDA_Category_X_L1000_Similarity": 0.339949, "FDA_Category_X_Structural_Similarity": -0.556598, "FDA_Category_X_Weighted_Contribution": -0.468464, "FDA_Category_X_Top_Rank": -0.0845108, "FDA_Category_D_and_X_L1000_Similarity": -0.267021, "FDA_Category_D_and_X_Structural_Similarity": 0.152314, "FDA_Category_D_and_X_Weighted_Contribution": -0.13094, "FDA_Category_D_and_X_Top_Rank": -0.0828039, "Placenta_Crossing_L1000_Similarity": -0.179737, "Placenta_Crossing_Structural_Similarity": 0.930212, "Placenta_Crossing_Weighted_Contribution": 0.693024, "Placenta_Crossing_Top_Rank": -0.0532029, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(O1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CO", "InChI_key": "ROCFOIBAEVAOLQ-UHFFFAOYSA-N" } }, "CID:4500": { "type": "Drug", "properties": { "id": "CID:4500", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4500", "label": "nisoxetine", "FDA_Category_D_L1000_Similarity": 1.4697, "FDA_Category_D_Structural_Similarity": -0.863347, "FDA_Category_D_Weighted_Contribution": -0.115889, "FDA_Category_D_Top_Rank": -0.0155956, "FDA_Category_X_L1000_Similarity": 2.37242, "FDA_Category_X_Structural_Similarity": -0.728337, "FDA_Category_X_Weighted_Contribution": 0.338227, "FDA_Category_X_Top_Rank": 0.102749, "FDA_Category_D_and_X_L1000_Similarity": 1.98736, "FDA_Category_D_and_X_Structural_Similarity": -1.07826, "FDA_Category_D_and_X_Weighted_Contribution": -0.101231, "FDA_Category_D_and_X_Top_Rank": 0.0909378, "Placenta_Crossing_L1000_Similarity": 1.22714, "Placenta_Crossing_Structural_Similarity": -0.993951, "Placenta_Crossing_Weighted_Contribution": -0.450703, "Placenta_Crossing_Top_Rank": -0.0605397, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC", "InChI_key": "ITJNARMNRKSWTA-UHFFFAOYSA-N" } }, "CID:45006145": { "type": "Drug", "properties": { "id": "CID:45006145", "label": "hydrocortisone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45006145", "FDA_Category_D_L1000_Similarity": 0.0919276, "FDA_Category_D_Structural_Similarity": -0.168479, "FDA_Category_D_Weighted_Contribution": -0.216604, "FDA_Category_D_Top_Rank": -0.0888542, "FDA_Category_X_L1000_Similarity": 0.237043, "FDA_Category_X_Structural_Similarity": 5.88621, "FDA_Category_X_Weighted_Contribution": 4.43591, "FDA_Category_X_Top_Rank": 1.59553, "FDA_Category_D_and_X_L1000_Similarity": 0.151225, "FDA_Category_D_and_X_Structural_Similarity": 3.04245, "FDA_Category_D_and_X_Weighted_Contribution": 2.92859, "FDA_Category_D_and_X_Top_Rank": 0.221354, "Placenta_Crossing_L1000_Similarity": 0.428963, "Placenta_Crossing_Structural_Similarity": 0.221106, "Placenta_Crossing_Weighted_Contribution": 0.281762, "Placenta_Crossing_Top_Rank": -0.0772404, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO", "InChI_key": "FZCHYNWYXKICIO-BXLKFAEVSA-N" } }, "CID:45006157": { "type": "Drug", "properties": { "id": "CID:45006157", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45006157", "label": "altrenogest", "ref": "LSM-1424", "FDA_Category_D_L1000_Similarity": 0.274375, "FDA_Category_D_Structural_Similarity": 0.46268, "FDA_Category_D_Weighted_Contribution": 0.499413, "FDA_Category_D_Top_Rank": -0.0723744, "FDA_Category_X_L1000_Similarity": 1.08465, "FDA_Category_X_Structural_Similarity": 3.22784, "FDA_Category_X_Weighted_Contribution": 3.60246, "FDA_Category_X_Top_Rank": 0.2682, "FDA_Category_D_and_X_L1000_Similarity": 0.565899, "FDA_Category_D_and_X_Structural_Similarity": 2.10896, "FDA_Category_D_and_X_Weighted_Contribution": 2.33178, "FDA_Category_D_and_X_Top_Rank": 0.0484565, "Placenta_Crossing_L1000_Similarity": 0.628063, "Placenta_Crossing_Structural_Similarity": 0.809288, "Placenta_Crossing_Weighted_Contribution": 1.00144, "Placenta_Crossing_Top_Rank": -0.0592019, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(CC=C)O", "InChI_key": "VWAUPFMBXBWEQY-JSRAGOMMSA-N" } }, "CID:45006158": { "type": "Drug", "properties": { "id": "CID:45006158", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45006158", "label": "betamethasone", "ref": "LSM-2864", "FDA_Category_D_L1000_Similarity": 0.694668, "FDA_Category_X_L1000_Similarity": 0.191168, "FDA_Category_D_and_X_L1000_Similarity": 0.656859, "Placenta_Crossing_L1000_Similarity": 0.670419, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C", "InChI_key": "AKUJBENLRBOFTD-DKNQJTFPSA-N" } }, "CID:45105106": { "type": "Drug", "properties": { "id": "CID:45105106", "label": "isometheptene", "lsm": "LSM-6056", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45105106", "FDA_Category_D_L1000_Similarity": 0.0381874, "FDA_Category_D_Structural_Similarity": -0.233673, "FDA_Category_D_Weighted_Contribution": -0.300991, "FDA_Category_D_Top_Rank": -0.0901691, "FDA_Category_X_L1000_Similarity": 0.261179, "FDA_Category_X_Structural_Similarity": -0.70999, "FDA_Category_X_Weighted_Contribution": -0.625441, "FDA_Category_X_Top_Rank": -0.0852996, "FDA_Category_D_and_X_L1000_Similarity": 0.112228, "FDA_Category_D_and_X_Structural_Similarity": -0.568577, "FDA_Category_D_and_X_Weighted_Contribution": -0.551272, "FDA_Category_D_and_X_Top_Rank": -0.0911847, "Placenta_Crossing_L1000_Similarity": -0.435884, "Placenta_Crossing_Structural_Similarity": 0.154035, "Placenta_Crossing_Weighted_Contribution": -0.194273, "Placenta_Crossing_Top_Rank": -0.0788133, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4520732": { "type": "Drug", "properties": { "id": "CID:4520732", "label": "bu-239", "lsm": "LSM-2238", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4520732", "FDA_Category_D_L1000_Similarity": 0.00496912, "FDA_Category_D_Structural_Similarity": 2.56324, "FDA_Category_D_Weighted_Contribution": 2.53782, "FDA_Category_D_Top_Rank": 0.141224, "FDA_Category_X_L1000_Similarity": -1.94836, "FDA_Category_X_Structural_Similarity": 0.386402, "FDA_Category_X_Weighted_Contribution": -0.632718, "FDA_Category_X_Top_Rank": -0.0664543, "FDA_Category_D_and_X_L1000_Similarity": -0.587396, "FDA_Category_D_and_X_Structural_Similarity": 2.24298, "FDA_Category_D_and_X_Weighted_Contribution": 1.82599, "FDA_Category_D_and_X_Top_Rank": 0.0683549, "Placenta_Crossing_L1000_Similarity": -0.421827, "Placenta_Crossing_Structural_Similarity": 0.393087, "Placenta_Crossing_Weighted_Contribution": 0.0302609, "Placenta_Crossing_Top_Rank": -0.0727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)C2=NC3=CC=CC=C3N=C2", "InChI_key": "MQSSFHXQKUSFIW-UHFFFAOYSA-N" } }, "CID:45259135": { "type": "Drug", "properties": { "id": "CID:45259135", "label": "vu-0415108-1", "lsm": "LSM-3710", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45259135", "FDA_Category_D_L1000_Similarity": 0.0792432, "FDA_Category_D_Structural_Similarity": 0.660754, "FDA_Category_D_Weighted_Contribution": 0.587251, "FDA_Category_D_Top_Rank": -0.0654767, "FDA_Category_X_L1000_Similarity": -0.243957, "FDA_Category_X_Structural_Similarity": -0.070457, "FDA_Category_X_Weighted_Contribution": -0.299827, "FDA_Category_X_Top_Rank": -0.0814544, "FDA_Category_D_and_X_L1000_Similarity": -0.00577231, "FDA_Category_D_and_X_Structural_Similarity": 0.486431, "FDA_Category_D_and_X_Weighted_Contribution": 0.323533, "FDA_Category_D_and_X_Top_Rank": -0.0743051, "Placenta_Crossing_L1000_Similarity": -0.196145, "Placenta_Crossing_Structural_Similarity": 1.18143, "Placenta_Crossing_Weighted_Contribution": 0.951948, "Placenta_Crossing_Top_Rank": -0.040414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN(CCOCCOCCN1CC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=C(C=C(C=C3)[N+](=O)[O-])Cl", "InChI_key": "HITAGOSILORSSW-UHFFFAOYSA-N" } }, "CID:45281801": { "type": "Drug", "properties": { "id": "CID:45281801", "label": "vu-0365121-1", "lsm": "LSM-2981", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45281801", "FDA_Category_D_L1000_Similarity": 0.186562, "FDA_Category_D_Structural_Similarity": -0.606038, "FDA_Category_D_Weighted_Contribution": -0.535588, "FDA_Category_D_Top_Rank": -0.0903566, "FDA_Category_X_L1000_Similarity": 0.975503, "FDA_Category_X_Structural_Similarity": -0.442157, "FDA_Category_X_Weighted_Contribution": -0.0782929, "FDA_Category_X_Top_Rank": -0.0722413, "FDA_Category_D_and_X_L1000_Similarity": 0.457065, "FDA_Category_D_and_X_Structural_Similarity": -0.719607, "FDA_Category_D_and_X_Weighted_Contribution": -0.518924, "FDA_Category_D_and_X_Top_Rank": -0.0864745, "Placenta_Crossing_L1000_Similarity": -0.177528, "Placenta_Crossing_Structural_Similarity": -0.60127, "Placenta_Crossing_Weighted_Contribution": -0.693333, "Placenta_Crossing_Top_Rank": -0.0894566, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O)C4=CN=C(C=C4)F", "InChI_key": "AWIDPYRUVXANEO-UHFFFAOYSA-N" } }, "CID:45375809": { "type": "Drug", "properties": { "id": "CID:45375809", "label": "PSI-7976", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45375809", "FDA_Category_D_L1000_Similarity": 1.08381, "FDA_Category_D_Structural_Similarity": -0.641222, "FDA_Category_D_Weighted_Contribution": -0.1194, "FDA_Category_D_Top_Rank": -0.0597275, "FDA_Category_X_L1000_Similarity": 0.00330099, "FDA_Category_X_Structural_Similarity": -0.147842, "FDA_Category_X_Weighted_Contribution": -0.257978, "FDA_Category_X_Top_Rank": -0.0833266, "FDA_Category_D_and_X_L1000_Similarity": 0.935271, "FDA_Category_D_and_X_Structural_Similarity": -0.588721, "FDA_Category_D_and_X_Weighted_Contribution": -0.190212, "FDA_Category_D_and_X_Top_Rank": -0.0725824, "Placenta_Crossing_L1000_Similarity": 0.582994, "Placenta_Crossing_Structural_Similarity": -0.827906, "Placenta_Crossing_Weighted_Contribution": -0.576127, "Placenta_Crossing_Top_Rank": -0.081389, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:454216": { "type": "Drug", "properties": { "id": "CID:454216", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID454216", "label": "valrubicin", "FDA_Category_D_L1000_Similarity": 0.0328391, "FDA_Category_D_Structural_Similarity": 5.31713, "FDA_Category_D_Weighted_Contribution": 4.09968, "FDA_Category_D_Top_Rank": 1.40802, "FDA_Category_X_L1000_Similarity": -3.20004, "FDA_Category_X_Structural_Similarity": 2.0496, "FDA_Category_X_Weighted_Contribution": 0.32712, "FDA_Category_X_Top_Rank": 0.0450252, "FDA_Category_D_and_X_L1000_Similarity": -0.943489, "FDA_Category_D_and_X_Structural_Similarity": 5.32623, "FDA_Category_D_and_X_Weighted_Contribution": 3.83506, "FDA_Category_D_and_X_Top_Rank": 1.53748, "Placenta_Crossing_L1000_Similarity": -2.11252, "Placenta_Crossing_Structural_Similarity": 0.240064, "Placenta_Crossing_Weighted_Contribution": -0.790831, "Placenta_Crossing_Top_Rank": -0.0768218, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O", "InChI_key": "ZOCKGBMQLCSHFP-KQRAQHLDSA-N" } }, "CID:45489449": { "type": "Drug", "properties": { "id": "CID:45489449", "label": "vu-0415556-1", "lsm": "LSM-1885", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45489449", "FDA_Category_D_L1000_Similarity": -2.16202, "FDA_Category_D_Structural_Similarity": -0.491286, "FDA_Category_D_Weighted_Contribution": -1.30543, "FDA_Category_D_Top_Rank": -0.0940059, "FDA_Category_X_L1000_Similarity": 0.791621, "FDA_Category_X_Structural_Similarity": 0.0528242, "FDA_Category_X_Weighted_Contribution": 0.327829, "FDA_Category_X_Top_Rank": -0.0771262, "FDA_Category_D_and_X_L1000_Similarity": -1.6233, "FDA_Category_D_and_X_Structural_Similarity": -0.361436, "FDA_Category_D_and_X_Weighted_Contribution": -1.05313, "FDA_Category_D_and_X_Top_Rank": -0.0924911, "Placenta_Crossing_L1000_Similarity": -1.54485, "Placenta_Crossing_Structural_Similarity": -0.13728, "Placenta_Crossing_Weighted_Contribution": -0.850108, "Placenta_Crossing_Top_Rank": -0.0849446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CS3", "InChI_key": "RYEZRLQEBRCAQY-UHFFFAOYSA-N" } }, "CID:4552": { "type": "Drug", "properties": { "id": "CID:4552", "label": "ns-1619", "lsm": "LSM-3206", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4552", "FDA_Category_D_L1000_Similarity": -0.168357, "FDA_Category_D_Structural_Similarity": -0.707932, "FDA_Category_D_Weighted_Contribution": -0.764591, "FDA_Category_D_Top_Rank": -0.0934919, "FDA_Category_X_L1000_Similarity": 0.675698, "FDA_Category_X_Structural_Similarity": 1.75974, "FDA_Category_X_Weighted_Contribution": 2.16403, "FDA_Category_X_Top_Rank": 0.0121848, "FDA_Category_D_and_X_L1000_Similarity": 0.0600752, "FDA_Category_D_and_X_Structural_Similarity": 0.387652, "FDA_Category_D_and_X_Weighted_Contribution": 0.262368, "FDA_Category_D_and_X_Top_Rank": -0.0771439, "Placenta_Crossing_L1000_Similarity": -0.116136, "Placenta_Crossing_Structural_Similarity": 0.766922, "Placenta_Crossing_Weighted_Contribution": 0.555837, "Placenta_Crossing_Top_Rank": -0.0607756, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O", "InChI_key": "YLFMCMWKHSDUCT-UHFFFAOYSA-N" } }, "CID:4565183": { "type": "Drug", "properties": { "id": "CID:4565183", "label": "gangaleoidin", "lsm": "LSM-18999", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4565183", "FDA_Category_D_L1000_Similarity": -0.0470878, "FDA_Category_D_Structural_Similarity": -0.53425, "FDA_Category_D_Weighted_Contribution": -0.585896, "FDA_Category_D_Top_Rank": -0.0926009, "FDA_Category_X_L1000_Similarity": 0.369903, "FDA_Category_X_Structural_Similarity": 0.39509, "FDA_Category_X_Weighted_Contribution": 0.467469, "FDA_Category_X_Top_Rank": -0.0659707, "FDA_Category_D_and_X_L1000_Similarity": 0.0717465, "FDA_Category_D_and_X_Structural_Similarity": -0.210852, "FDA_Category_D_and_X_Weighted_Contribution": -0.281761, "FDA_Category_D_and_X_Top_Rank": -0.0904125, "Placenta_Crossing_L1000_Similarity": 0.0653734, "Placenta_Crossing_Structural_Similarity": -0.264697, "Placenta_Crossing_Weighted_Contribution": -0.335861, "Placenta_Crossing_Top_Rank": -0.0869457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4581": { "type": "Drug", "properties": { "id": "CID:4581", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4581", "label": "octopamine", "FDA_Category_D_L1000_Similarity": 0.51003, "FDA_Category_D_Structural_Similarity": 0.462339, "FDA_Category_D_Weighted_Contribution": 0.644198, "FDA_Category_D_Top_Rank": -0.0724073, "FDA_Category_X_L1000_Similarity": -0.0804253, "FDA_Category_X_Structural_Similarity": 0.345179, "FDA_Category_X_Weighted_Contribution": 0.178482, "FDA_Category_X_Top_Rank": -0.0679047, "FDA_Category_D_and_X_L1000_Similarity": 0.415231, "FDA_Category_D_and_X_Structural_Similarity": 0.553222, "FDA_Category_D_and_X_Weighted_Contribution": 0.631867, "FDA_Category_D_and_X_Top_Rank": -0.0722227, "Placenta_Crossing_L1000_Similarity": 0.110293, "Placenta_Crossing_Structural_Similarity": 2.31434, "Placenta_Crossing_Weighted_Contribution": 2.30011, "Placenta_Crossing_Top_Rank": 0.0652623, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(CN)O)O", "InChI_key": "QHGUCRYDKWKLMG-UHFFFAOYSA-N" } }, "CID:45934210": { "type": "Drug", "properties": { "id": "CID:45934210", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID45934210", "label": "solifenacin", "FDA_Category_D_L1000_Similarity": -1.11613, "FDA_Category_D_Structural_Similarity": 1.60241, "FDA_Category_D_Weighted_Contribution": 0.845421, "FDA_Category_D_Top_Rank": -0.00530597, "FDA_Category_X_L1000_Similarity": -0.169416, "FDA_Category_X_Structural_Similarity": -0.706621, "FDA_Category_X_Weighted_Contribution": -0.785629, "FDA_Category_X_Top_Rank": -0.0886129, "FDA_Category_D_and_X_L1000_Similarity": -1.01358, "FDA_Category_D_and_X_Structural_Similarity": 0.890566, "FDA_Category_D_and_X_Weighted_Contribution": 0.166056, "FDA_Category_D_and_X_Top_Rank": -0.0587046, "Placenta_Crossing_L1000_Similarity": -0.628785, "Placenta_Crossing_Structural_Similarity": -0.403352, "Placenta_Crossing_Weighted_Contribution": -0.715349, "Placenta_Crossing_Top_Rank": -0.0887457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(C2)OC(=O)C3C(C4=CC=CC=C4CN3)C5=CC=CC=C5", "InChI_key": "IGCKSKSSHBPKHO-LGTSYYJHSA-N" } }, "CID:460": { "type": "Drug", "properties": { "id": "CID:460", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID460", "label": "guaiacol", "FDA_Category_D_L1000_Similarity": -0.0712569, "FDA_Category_D_Structural_Similarity": -0.379625, "FDA_Category_D_Weighted_Contribution": -0.475762, "FDA_Category_D_Top_Rank": -0.0926547, "FDA_Category_X_L1000_Similarity": 1.11644, "FDA_Category_X_Structural_Similarity": -0.409916, "FDA_Category_X_Weighted_Contribution": 0.0216912, "FDA_Category_X_Top_Rank": -0.0675163, "FDA_Category_D_and_X_L1000_Similarity": 0.277626, "FDA_Category_D_and_X_Structural_Similarity": -0.522502, "FDA_Category_D_and_X_Weighted_Contribution": -0.443258, "FDA_Category_D_and_X_Top_Rank": -0.0892671, "Placenta_Crossing_L1000_Similarity": 0.19982, "Placenta_Crossing_Structural_Similarity": -0.638938, "Placenta_Crossing_Weighted_Contribution": -0.580232, "Placenta_Crossing_Top_Rank": -0.0866159, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1O", "InChI_key": "LHGVFZTZFXWLCP-UHFFFAOYSA-N" } }, "CID:46172903": { "type": "Drug", "properties": { "id": "CID:46172903", "label": "vu-0418000-1", "lsm": "LSM-4203", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46172903", "FDA_Category_D_L1000_Similarity": -1.10205, "FDA_Category_D_Structural_Similarity": -0.00329782, "FDA_Category_D_Weighted_Contribution": -0.651216, "FDA_Category_D_Top_Rank": -0.0852926, "FDA_Category_X_L1000_Similarity": 0.980513, "FDA_Category_X_Structural_Similarity": -0.531886, "FDA_Category_X_Weighted_Contribution": -0.161051, "FDA_Category_X_Top_Rank": -0.0719699, "FDA_Category_D_and_X_L1000_Similarity": -0.652224, "FDA_Category_D_and_X_Structural_Similarity": -0.289621, "FDA_Category_D_and_X_Weighted_Contribution": -0.661807, "FDA_Category_D_and_X_Top_Rank": -0.0915777, "Placenta_Crossing_L1000_Similarity": -0.596622, "Placenta_Crossing_Structural_Similarity": -0.135054, "Placenta_Crossing_Weighted_Contribution": -0.503303, "Placenta_Crossing_Top_Rank": -0.0848932, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)OCCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O", "InChI_key": "ATYKJUSZXWAJQY-UHFFFAOYSA-N" } }, "CID:46209426": { "type": "Drug", "properties": { "id": "CID:46209426", "label": "thiazovivin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46209426", "FDA_Category_D_L1000_Similarity": 0.0410765, "FDA_Category_D_Structural_Similarity": 2.29616, "FDA_Category_D_Weighted_Contribution": 2.30415, "FDA_Category_D_Top_Rank": 0.103428, "FDA_Category_X_L1000_Similarity": -0.0917534, "FDA_Category_X_Structural_Similarity": -0.710903, "FDA_Category_X_Weighted_Contribution": -0.760407, "FDA_Category_X_Top_Rank": -0.0881828, "FDA_Category_D_and_X_L1000_Similarity": 0.00754258, "FDA_Category_D_and_X_Structural_Similarity": 1.43889, "FDA_Category_D_and_X_Weighted_Contribution": 1.33019, "FDA_Category_D_and_X_Top_Rank": -0.0211339, "Placenta_Crossing_L1000_Similarity": 0.667006, "Placenta_Crossing_Structural_Similarity": 0.831112, "Placenta_Crossing_Weighted_Contribution": 1.04626, "Placenta_Crossing_Top_Rank": -0.0583351, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46215815": { "type": "Drug", "properties": { "id": "CID:46215815", "label": "gsk-2334470", "lsm": "LSM-1222", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46215815", "FDA_Category_D_L1000_Similarity": -1.08112, "FDA_Category_D_Structural_Similarity": 0.277951, "FDA_Category_D_Weighted_Contribution": -0.421956, "FDA_Category_D_Top_Rank": -0.0778237, "FDA_Category_X_L1000_Similarity": 0.0574544, "FDA_Category_X_Structural_Similarity": -0.703344, "FDA_Category_X_Weighted_Contribution": -0.699038, "FDA_Category_X_Top_Rank": -0.0871725, "FDA_Category_D_and_X_L1000_Similarity": -0.914484, "FDA_Category_D_and_X_Structural_Similarity": -0.158908, "FDA_Category_D_and_X_Weighted_Contribution": -0.673484, "FDA_Category_D_and_X_Top_Rank": -0.0894593, "Placenta_Crossing_L1000_Similarity": -0.551388, "Placenta_Crossing_Structural_Similarity": 0.054287, "Placenta_Crossing_Weighted_Contribution": -0.330737, "Placenta_Crossing_Top_Rank": -0.0811199, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC(CN1C2=NC(=NC(=C2)C3=CC4=C(C=C3)C(=NN4)N)NC)C(=O)NC5CCCCC5", "InChI_key": "QLPHOXTXAKOFMU-WBVHZDCISA-N" } }, "CID:46216796": { "type": "Drug", "properties": { "id": "CID:46216796", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46216796", "label": "pacritinib", "FDA_Category_D_L1000_Similarity": -1.03395, "FDA_Category_D_Structural_Similarity": 1.60346, "FDA_Category_D_Weighted_Contribution": 0.89864, "FDA_Category_D_Top_Rank": -0.00480344, "FDA_Category_X_L1000_Similarity": -0.188968, "FDA_Category_X_Structural_Similarity": 3.87917, "FDA_Category_X_Weighted_Contribution": 3.61119, "FDA_Category_X_Top_Rank": 0.484747, "FDA_Category_D_and_X_L1000_Similarity": -0.948669, "FDA_Category_D_and_X_Structural_Similarity": 3.36587, "FDA_Category_D_and_X_Weighted_Contribution": 2.69431, "FDA_Category_D_and_X_Top_Rank": 0.331944, "Placenta_Crossing_L1000_Similarity": -1.16183, "Placenta_Crossing_Structural_Similarity": -0.0248665, "Placenta_Crossing_Weighted_Contribution": -0.637466, "Placenta_Crossing_Top_Rank": -0.0827886, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2", "InChI_key": "HWXVIOGONBBTBY-ONEGZZNKSA-N" } }, "CID:46218908": { "type": "Drug", "properties": { "id": "CID:46218908", "label": "ONX-0914", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46218908", "FDA_Category_D_L1000_Similarity": -1.47969, "FDA_Category_X_L1000_Similarity": -0.117369, "FDA_Category_D_and_X_L1000_Similarity": -1.31116, "Placenta_Crossing_L1000_Similarity": -0.727621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4622": { "type": "Drug", "properties": { "id": "CID:4622", "label": "oxibendazole", "lsm": "LSM-3153", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4622", "FDA_Category_D_L1000_Similarity": 0.275527, "FDA_Category_D_Structural_Similarity": -0.368792, "FDA_Category_D_Weighted_Contribution": -0.297665, "FDA_Category_D_Top_Rank": -0.0891904, "FDA_Category_X_L1000_Similarity": -1.43798, "FDA_Category_X_Structural_Similarity": -0.301314, "FDA_Category_X_Weighted_Contribution": -0.944234, "FDA_Category_X_Top_Rank": -0.0865331, "FDA_Category_D_and_X_L1000_Similarity": -0.199174, "FDA_Category_D_and_X_Structural_Similarity": -0.455303, "FDA_Category_D_and_X_Weighted_Contribution": -0.597303, "FDA_Category_D_and_X_Top_Rank": -0.0935461, "Placenta_Crossing_L1000_Similarity": -0.918122, "Placenta_Crossing_Structural_Similarity": -0.735345, "Placenta_Crossing_Weighted_Contribution": -1.02192, "Placenta_Crossing_Top_Rank": -0.0914265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC", "InChI_key": "RAOCRURYZCVHMG-UHFFFAOYSA-N" } }, "CID:46238405": { "type": "Drug", "properties": { "id": "CID:46238405", "label": "ran-29", "lsm": "LSM-15436", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46238405", "FDA_Category_D_L1000_Similarity": -1.11907, "FDA_Category_D_Structural_Similarity": -0.311572, "FDA_Category_D_Weighted_Contribution": -0.872636, "FDA_Category_D_Top_Rank": -0.0915891, "FDA_Category_X_L1000_Similarity": 1.45356, "FDA_Category_X_Structural_Similarity": 0.249047, "FDA_Category_X_Weighted_Contribution": 0.905031, "FDA_Category_X_Top_Rank": -0.0498334, "FDA_Category_D_and_X_L1000_Similarity": -0.523228, "FDA_Category_D_and_X_Structural_Similarity": -0.112914, "FDA_Category_D_and_X_Weighted_Contribution": -0.474405, "FDA_Category_D_and_X_Top_Rank": -0.0885727, "Placenta_Crossing_L1000_Similarity": -1.14205, "Placenta_Crossing_Structural_Similarity": -0.257296, "Placenta_Crossing_Weighted_Contribution": -0.794229, "Placenta_Crossing_Top_Rank": -0.0868419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)C1=NC2=CC=CC=C2C(=N1)N3CCNCC3", "InChI_key": "BHVFEFOMNRUGLC-UHFFFAOYSA-N" } }, "CID:4630": { "type": "Drug", "properties": { "id": "CID:4630", "label": "oxotremorine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4630", "FDA_Category_D_L1000_Similarity": 0.492021, "FDA_Category_D_Structural_Similarity": -0.632379, "FDA_Category_D_Weighted_Contribution": -0.413003, "FDA_Category_D_Top_Rank": -0.085441, "FDA_Category_X_L1000_Similarity": -1.07993, "FDA_Category_X_Structural_Similarity": -0.369846, "FDA_Category_X_Weighted_Contribution": -0.869665, "FDA_Category_X_Top_Rank": -0.087717, "FDA_Category_D_and_X_L1000_Similarity": 0.0961716, "FDA_Category_D_and_X_Structural_Similarity": -0.701495, "FDA_Category_D_and_X_Weighted_Contribution": -0.6563, "FDA_Category_D_and_X_Top_Rank": -0.0913727, "Placenta_Crossing_L1000_Similarity": 0.413974, "Placenta_Crossing_Structural_Similarity": -1.03139, "Placenta_Crossing_Weighted_Contribution": -0.783892, "Placenta_Crossing_Top_Rank": -0.0842799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)CC#CCN2CCCC2=O", "InChI_key": "RSDOPYMFZBJHRL-UHFFFAOYSA-N" } }, "CID:4636": { "type": "Drug", "properties": { "id": "CID:4636", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4636", "label": "oxymetazoline", "FDA_Category_D_L1000_Similarity": 0.341229, "FDA_Category_D_Structural_Similarity": -0.307267, "FDA_Category_D_Weighted_Contribution": -0.210223, "FDA_Category_D_Top_Rank": -0.0881149, "FDA_Category_X_L1000_Similarity": 0.732357, "FDA_Category_X_Structural_Similarity": -0.50931, "FDA_Category_X_Weighted_Contribution": -0.254926, "FDA_Category_X_Top_Rank": -0.0784256, "FDA_Category_D_and_X_L1000_Similarity": 0.516551, "FDA_Category_D_and_X_Structural_Similarity": -0.518704, "FDA_Category_D_and_X_Weighted_Contribution": -0.330968, "FDA_Category_D_and_X_Top_Rank": -0.0853159, "Placenta_Crossing_L1000_Similarity": 0.657881, "Placenta_Crossing_Structural_Similarity": -0.157695, "Placenta_Crossing_Weighted_Contribution": 0.0274038, "Placenta_Crossing_Top_Rank": -0.0798266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C", "InChI_key": "WYWIFABBXFUGLM-UHFFFAOYSA-N" } }, "CID:4644": { "type": "Drug", "properties": { "id": "CID:4644", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4644", "label": "oxypurinol", "FDA_Category_D_L1000_Similarity": 0.848767, "FDA_Category_D_Structural_Similarity": -0.682921, "FDA_Category_D_Weighted_Contribution": -0.27904, "FDA_Category_D_Top_Rank": -0.0738338, "FDA_Category_X_L1000_Similarity": -0.194705, "FDA_Category_X_Structural_Similarity": -0.420556, "FDA_Category_X_Weighted_Contribution": -0.576695, "FDA_Category_X_Top_Rank": -0.0885627, "FDA_Category_D_and_X_L1000_Similarity": 0.672513, "FDA_Category_D_and_X_Structural_Similarity": -0.768974, "FDA_Category_D_and_X_Weighted_Contribution": -0.463185, "FDA_Category_D_and_X_Top_Rank": -0.0819101, "Placenta_Crossing_L1000_Similarity": 0.0168264, "Placenta_Crossing_Structural_Similarity": -1.02095, "Placenta_Crossing_Weighted_Contribution": -0.908494, "Placenta_Crossing_Top_Rank": -0.0882257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=NC(=O)NC2=O)NN1", "InChI_key": "HXNFUBHNUDHIGC-UHFFFAOYSA-N" } }, "CID:46843057": { "type": "Drug", "properties": { "id": "CID:46843057", "label": "afuresertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46843057", "FDA_Category_D_L1000_Similarity": -1.24455, "FDA_Category_D_Structural_Similarity": 1.55769, "FDA_Category_D_Weighted_Contribution": 0.716512, "FDA_Category_D_Top_Rank": -0.0108106, "FDA_Category_X_L1000_Similarity": -0.495195, "FDA_Category_X_Structural_Similarity": -0.689529, "FDA_Category_X_Weighted_Contribution": -0.88824, "FDA_Category_X_Top_Rank": -0.0900198, "FDA_Category_D_and_X_L1000_Similarity": -1.2232, "FDA_Category_D_and_X_Structural_Similarity": 0.864294, "FDA_Category_D_and_X_Weighted_Contribution": 0.0296789, "FDA_Category_D_and_X_Top_Rank": -0.0604794, "Placenta_Crossing_L1000_Similarity": -0.296765, "Placenta_Crossing_Structural_Similarity": 1.10727, "Placenta_Crossing_Weighted_Contribution": 0.817871, "Placenta_Crossing_Top_Rank": -0.0451879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC(=CC=C3)F)CN)Cl", "InChI_key": "AFJRDFWMXUECEW-LBPRGKRZSA-N" } }, "CID:46854655": { "type": "Drug", "properties": { "id": "CID:46854655", "label": "AMG-837", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46854655", "FDA_Category_D_L1000_Similarity": 0.0653112, "FDA_Category_D_Structural_Similarity": -0.812766, "FDA_Category_D_Weighted_Contribution": -0.742175, "FDA_Category_D_Top_Rank": -0.0916238, "FDA_Category_X_L1000_Similarity": 0.212735, "FDA_Category_X_Structural_Similarity": 0.008039, "FDA_Category_X_Weighted_Contribution": -0.0119356, "FDA_Category_X_Top_Rank": -0.0795724, "FDA_Category_D_and_X_L1000_Similarity": 0.120905, "FDA_Category_D_and_X_Structural_Similarity": -0.640765, "FDA_Category_D_and_X_Weighted_Contribution": -0.601782, "FDA_Category_D_and_X_Top_Rank": -0.0910958, "Placenta_Crossing_L1000_Similarity": 0.811949, "Placenta_Crossing_Structural_Similarity": 1.14356, "Placenta_Crossing_Weighted_Contribution": 1.46299, "Placenta_Crossing_Top_Rank": -0.0430732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46885626": { "type": "Drug", "properties": { "id": "CID:46885626", "label": "gsk-1070916", "lsm": "LSM-1062", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46885626", "FDA_Category_D_L1000_Similarity": -2.71406, "FDA_Category_D_Structural_Similarity": 1.85951, "FDA_Category_D_Weighted_Contribution": 0.142307, "FDA_Category_D_Top_Rank": 0.0267861, "FDA_Category_X_L1000_Similarity": -0.0987155, "FDA_Category_X_Structural_Similarity": 0.845066, "FDA_Category_X_Weighted_Contribution": 0.702926, "FDA_Category_X_Top_Rank": -0.0480148, "FDA_Category_D_and_X_L1000_Similarity": -2.36955, "FDA_Category_D_and_X_Structural_Similarity": 1.93191, "FDA_Category_D_and_X_Weighted_Contribution": 0.444501, "FDA_Category_D_and_X_Top_Rank": 0.0277504, "Placenta_Crossing_L1000_Similarity": -1.98048, "Placenta_Crossing_Structural_Similarity": 0.907233, "Placenta_Crossing_Weighted_Contribution": -0.220958, "Placenta_Crossing_Top_Rank": -0.0546585, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C", "InChI_key": "QTBWCSQGBMPECM-UHFFFAOYSA-N" } }, "CID:46902718": { "type": "Drug", "properties": { "id": "CID:46902718", "label": "KUC105208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46902718", "FDA_Category_D_L1000_Similarity": 1.13702, "FDA_Category_D_Structural_Similarity": -0.655102, "FDA_Category_D_Weighted_Contribution": -0.103594, "FDA_Category_D_Top_Rank": -0.0548764, "FDA_Category_X_L1000_Similarity": -0.374085, "FDA_Category_X_Structural_Similarity": -0.335735, "FDA_Category_X_Weighted_Contribution": -0.580665, "FDA_Category_X_Top_Rank": -0.0871011, "FDA_Category_D_and_X_L1000_Similarity": 0.866531, "FDA_Category_D_and_X_Structural_Similarity": -0.701125, "FDA_Category_D_and_X_Weighted_Contribution": -0.31947, "FDA_Category_D_and_X_Top_Rank": -0.0754513, "Placenta_Crossing_L1000_Similarity": 0.384312, "Placenta_Crossing_Structural_Similarity": -0.49222, "Placenta_Crossing_Weighted_Contribution": -0.390471, "Placenta_Crossing_Top_Rank": -0.084642, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46907798": { "type": "Drug", "properties": { "id": "CID:46907798", "label": "emf-bca1-64", "lsm": "LSM-2234", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46907798", "FDA_Category_D_L1000_Similarity": 0.733444, "FDA_Category_D_Structural_Similarity": -0.739523, "FDA_Category_D_Weighted_Contribution": -0.38462, "FDA_Category_D_Top_Rank": -0.0785074, "FDA_Category_X_L1000_Similarity": 1.41138, "FDA_Category_X_Structural_Similarity": 0.210145, "FDA_Category_X_Weighted_Contribution": 0.837558, "FDA_Category_X_Top_Rank": -0.0525363, "FDA_Category_D_and_X_L1000_Similarity": 1.06085, "FDA_Category_D_and_X_Structural_Similarity": -0.473576, "FDA_Category_D_and_X_Weighted_Contribution": -0.0235982, "FDA_Category_D_and_X_Top_Rank": -0.065441, "Placenta_Crossing_L1000_Similarity": 1.34826, "Placenta_Crossing_Structural_Similarity": -0.867096, "Placenta_Crossing_Weighted_Contribution": -0.2949, "Placenta_Crossing_Top_Rank": -0.0525931, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)S(=O)(=O)C5=CC6=C(C=C5)OCCO6)C(C)CO", "InChI_key": "YDFFDCBBGWXONN-MODXFSQWSA-N" } }, "CID:46925828": { "type": "Drug", "properties": { "id": "CID:46925828", "label": "sd-6-035-a6", "lsm": "LSM-6786", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46925828", "FDA_Category_D_L1000_Similarity": -0.0563937, "FDA_Category_X_L1000_Similarity": 0.193346, "FDA_Category_D_and_X_L1000_Similarity": 0.0101028, "Placenta_Crossing_L1000_Similarity": 0.272874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-JYWVQFHMSA-N" } }, "CID:46931012": { "type": "Drug", "properties": { "id": "CID:46931012", "label": "bix-02189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46931012", "FDA_Category_D_L1000_Similarity": -0.28845, "FDA_Category_D_Structural_Similarity": 0.0633401, "FDA_Category_D_Weighted_Contribution": -0.208557, "FDA_Category_D_Top_Rank": -0.0835798, "FDA_Category_X_L1000_Similarity": 0.877162, "FDA_Category_X_Structural_Similarity": -0.442734, "FDA_Category_X_Weighted_Contribution": -0.125774, "FDA_Category_X_Top_Rank": -0.0750277, "FDA_Category_D_and_X_L1000_Similarity": 0.0177283, "FDA_Category_D_and_X_Structural_Similarity": -0.188624, "FDA_Category_D_and_X_Weighted_Contribution": -0.288586, "FDA_Category_D_and_X_Top_Rank": -0.0900495, "Placenta_Crossing_L1000_Similarity": -0.0105455, "Placenta_Crossing_Structural_Similarity": -0.343497, "Placenta_Crossing_Weighted_Contribution": -0.432532, "Placenta_Crossing_Top_Rank": -0.088063, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC1=CC(=CC=C1)NC(=C2C3=C(C=C(C=C3)C(=O)N(C)C)NC2=O)C4=CC=CC=C4", "InChI_key": "HOMJAAIVTDVQJA-IZHYLOQSSA-N" } }, "CID:46931242": { "type": "Drug", "properties": { "id": "CID:46931242", "label": "UNC-669", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46931242", "FDA_Category_D_L1000_Similarity": 2.09262, "FDA_Category_D_Structural_Similarity": 2.30591, "FDA_Category_D_Weighted_Contribution": 3.30323, "FDA_Category_D_Top_Rank": 0.272186, "FDA_Category_X_L1000_Similarity": 2.49947, "FDA_Category_X_Structural_Similarity": -0.305299, "FDA_Category_X_Weighted_Contribution": 0.87017, "FDA_Category_X_Top_Rank": 0.151771, "FDA_Category_D_and_X_L1000_Similarity": 2.5629, "FDA_Category_D_and_X_Structural_Similarity": 1.66549, "FDA_Category_D_and_X_Weighted_Contribution": 2.90948, "FDA_Category_D_and_X_Top_Rank": 0.588744, "Placenta_Crossing_L1000_Similarity": 2.4528, "Placenta_Crossing_Structural_Similarity": 0.655002, "Placenta_Crossing_Weighted_Contribution": 1.82757, "Placenta_Crossing_Top_Rank": 0.251014, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46943243": { "type": "Drug", "properties": { "id": "CID:46943243", "label": "vu-0424182-2", "lsm": "LSM-2902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46943243", "FDA_Category_D_L1000_Similarity": 0.578849, "FDA_Category_D_Structural_Similarity": -0.839551, "FDA_Category_D_Weighted_Contribution": -0.538557, "FDA_Category_D_Top_Rank": -0.0832205, "FDA_Category_X_L1000_Similarity": 2.20948, "FDA_Category_X_Structural_Similarity": -0.708593, "FDA_Category_X_Weighted_Contribution": 0.273499, "FDA_Category_X_Top_Rank": 0.052991, "FDA_Category_D_and_X_L1000_Similarity": 1.16995, "FDA_Category_D_and_X_Structural_Similarity": -1.04872, "FDA_Category_D_and_X_Weighted_Contribution": -0.463892, "FDA_Category_D_and_X_Top_Rank": -0.0572549, "Placenta_Crossing_L1000_Similarity": 1.16934, "Placenta_Crossing_Structural_Similarity": -0.989984, "Placenta_Crossing_Weighted_Contribution": -0.470959, "Placenta_Crossing_Top_Rank": -0.0634145, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CC1=NN=C(O1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl", "InChI_key": "DTDYZLBFRMXQPB-UHFFFAOYSA-N" } }, "CID:46944259": { "type": "Drug", "properties": { "id": "CID:46944259", "label": "ly-2874455", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46944259", "FDA_Category_D_L1000_Similarity": -1.54593, "FDA_Category_D_Structural_Similarity": 0.580676, "FDA_Category_D_Weighted_Contribution": -0.39674, "FDA_Category_D_Top_Rank": -0.0680101, "FDA_Category_X_L1000_Similarity": -1.50473, "FDA_Category_X_Structural_Similarity": -0.685654, "FDA_Category_X_Weighted_Contribution": -1.19494, "FDA_Category_X_Top_Rank": -0.0918385, "FDA_Category_D_and_X_L1000_Similarity": -1.78957, "FDA_Category_D_and_X_Structural_Similarity": 0.0909141, "FDA_Category_D_and_X_Weighted_Contribution": -0.837459, "FDA_Category_D_and_X_Top_Rank": -0.0842605, "Placenta_Crossing_L1000_Similarity": -2.70781, "Placenta_Crossing_Structural_Similarity": 0.824935, "Placenta_Crossing_Weighted_Contribution": -0.588683, "Placenta_Crossing_Top_Rank": -0.0587154, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3C=CC4=CN(N=C4)CCO", "InChI_key": "GKJCVYLDJWTWQU-CXLRFSCWSA-N" } }, "CID:4701": { "type": "Drug", "properties": { "id": "CID:4701", "label": "pd-123319", "lsm": "LSM-1696", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4701", "FDA_Category_D_L1000_Similarity": 0.243962, "FDA_Category_D_Structural_Similarity": 1.98891, "FDA_Category_D_Weighted_Contribution": 2.11632, "FDA_Category_D_Top_Rank": 0.0460207, "FDA_Category_X_L1000_Similarity": 0.527335, "FDA_Category_X_Structural_Similarity": -0.451798, "FDA_Category_X_Weighted_Contribution": -0.295685, "FDA_Category_X_Top_Rank": -0.0821664, "FDA_Category_D_and_X_L1000_Similarity": 0.370443, "FDA_Category_D_and_X_Structural_Similarity": 1.33483, "FDA_Category_D_and_X_Weighted_Contribution": 1.43626, "FDA_Category_D_and_X_Top_Rank": -0.0279864, "Placenta_Crossing_L1000_Similarity": 0.0582631, "Placenta_Crossing_Structural_Similarity": 1.43529, "Placenta_Crossing_Weighted_Contribution": 1.36541, "Placenta_Crossing_Top_Rank": -0.0247557, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)CN2C=NC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C", "InChI_key": "YSTVFDAKLDMYCR-UHFFFAOYSA-N" } }, "CID:4708": { "type": "Drug", "properties": { "id": "CID:4708", "label": "n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4708", "FDA_Category_D_L1000_Similarity": -2.63352, "FDA_Category_D_Structural_Similarity": 0.716648, "FDA_Category_D_Weighted_Contribution": -0.777753, "FDA_Category_D_Top_Rank": -0.0635564, "FDA_Category_X_L1000_Similarity": -0.606597, "FDA_Category_X_Structural_Similarity": -0.408954, "FDA_Category_X_Weighted_Contribution": -0.727574, "FDA_Category_X_Top_Rank": -0.088351, "FDA_Category_D_and_X_L1000_Similarity": -2.45434, "FDA_Category_D_and_X_Structural_Similarity": 0.348143, "FDA_Category_D_and_X_Weighted_Contribution": -0.910501, "FDA_Category_D_and_X_Top_Rank": -0.0783894, "Placenta_Crossing_L1000_Similarity": -2.38329, "Placenta_Crossing_Structural_Similarity": -0.29866, "Placenta_Crossing_Weighted_Contribution": -1.18652, "Placenta_Crossing_Top_Rank": -0.0874813, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br", "InChI_key": "HTUBKQUPEREOGA-UHFFFAOYSA-N" } }, "CID:471161": { "type": "Drug", "properties": { "id": "CID:471161", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID471161", "label": "maribavir", "FDA_Category_D_L1000_Similarity": 1.10985, "FDA_Category_D_Structural_Similarity": 0.791311, "FDA_Category_D_Weighted_Contribution": 1.38278, "FDA_Category_D_Top_Rank": -0.0576655, "FDA_Category_X_L1000_Similarity": 0.964066, "FDA_Category_X_Structural_Similarity": -0.150429, "FDA_Category_X_Weighted_Contribution": 0.206209, "FDA_Category_X_Top_Rank": -0.0724231, "FDA_Category_D_and_X_L1000_Similarity": 1.24948, "FDA_Category_D_and_X_Structural_Similarity": 0.546903, "FDA_Category_D_and_X_Weighted_Contribution": 1.12051, "FDA_Category_D_and_X_Top_Rank": -0.051639, "Placenta_Crossing_L1000_Similarity": 0.727313, "Placenta_Crossing_Structural_Similarity": 0.152948, "Placenta_Crossing_Weighted_Contribution": 0.365152, "Placenta_Crossing_Top_Rank": -0.0782266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NC1=NC2=CC(=C(C=C2N1C3C(C(C(O3)CO)O)O)Cl)Cl", "InChI_key": "KJFBVJALEQWJBS-XUXIUFHCSA-N" } }, "CID:4712": { "type": "Drug", "properties": { "id": "CID:4712", "label": "pd-169316", "lsm": "LSM-3731", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4712", "FDA_Category_D_L1000_Similarity": 1.21934, "FDA_Category_D_Structural_Similarity": 0.720301, "FDA_Category_D_Weighted_Contribution": 1.37525, "FDA_Category_D_Top_Rank": -0.046999, "FDA_Category_X_L1000_Similarity": 1.21841, "FDA_Category_X_Structural_Similarity": -0.369957, "FDA_Category_X_Weighted_Contribution": 0.11235, "FDA_Category_X_Top_Rank": -0.0633117, "FDA_Category_D_and_X_L1000_Similarity": 1.4211, "FDA_Category_D_and_X_Structural_Similarity": 0.372085, "FDA_Category_D_and_X_Weighted_Contribution": 1.03639, "FDA_Category_D_and_X_Top_Rank": -0.0341135, "Placenta_Crossing_L1000_Similarity": 2.26378, "Placenta_Crossing_Structural_Similarity": 0.886749, "Placenta_Crossing_Weighted_Contribution": 1.96777, "Placenta_Crossing_Top_Rank": 0.138127, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]", "InChI_key": "BGIYKDUASORTBB-UHFFFAOYSA-N" } }, "CID:4754": { "type": "Drug", "properties": { "id": "CID:4754", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4754", "label": "phenacetin", "FDA_Category_D_L1000_Similarity": 0.254163, "FDA_Category_D_Structural_Similarity": 1.78653, "FDA_Category_D_Weighted_Contribution": 1.9137, "FDA_Category_D_Top_Rank": 0.0175063, "FDA_Category_X_L1000_Similarity": 0.452867, "FDA_Category_X_Structural_Similarity": -0.454882, "FDA_Category_X_Weighted_Contribution": -0.331688, "FDA_Category_X_Top_Rank": -0.0830897, "FDA_Category_D_and_X_L1000_Similarity": 0.356622, "FDA_Category_D_and_X_Structural_Similarity": 1.17254, "FDA_Category_D_and_X_Weighted_Contribution": 1.25456, "FDA_Category_D_and_X_Top_Rank": -0.0411031, "Placenta_Crossing_L1000_Similarity": 1.443, "Placenta_Crossing_Structural_Similarity": 1.47564, "Placenta_Crossing_Weighted_Contribution": 2.1415, "Placenta_Crossing_Top_Rank": -0.0211925, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=C(C=C1)NC(=O)C", "InChI_key": "CPJSUEIXXCENMM-UHFFFAOYSA-N" } }, "CID:4755": { "type": "Drug", "properties": { "id": "CID:4755", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4755", "label": "phenamil", "FDA_Category_D_L1000_Similarity": 0.482698, "FDA_Category_D_Structural_Similarity": -0.760327, "FDA_Category_D_Weighted_Contribution": -0.520571, "FDA_Category_D_Top_Rank": -0.0856084, "FDA_Category_X_L1000_Similarity": -0.669709, "FDA_Category_X_Structural_Similarity": -0.693719, "FDA_Category_X_Weighted_Contribution": -0.949463, "FDA_Category_X_Top_Rank": -0.090568, "FDA_Category_D_and_X_L1000_Similarity": 0.212711, "FDA_Category_D_and_X_Structural_Similarity": -0.977809, "FDA_Category_D_and_X_Weighted_Contribution": -0.802255, "FDA_Category_D_and_X_Top_Rank": -0.0900437, "Placenta_Crossing_L1000_Similarity": -0.248132, "Placenta_Crossing_Structural_Similarity": -0.319221, "Placenta_Crossing_Weighted_Contribution": -0.509079, "Placenta_Crossing_Top_Rank": -0.0877709, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N", "InChI_key": "NIOHELZQFBGCEO-UHFFFAOYSA-N" } }, "CID:4761": { "type": "Drug", "properties": { "id": "CID:4761", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4761", "label": "pheniramine", "FDA_Category_D_L1000_Similarity": 0.956194, "FDA_Category_D_Structural_Similarity": -0.878495, "FDA_Category_D_Weighted_Contribution": -0.391725, "FDA_Category_D_Top_Rank": -0.068053, "FDA_Category_X_L1000_Similarity": 1.94577, "FDA_Category_X_Structural_Similarity": -0.762122, "FDA_Category_X_Weighted_Contribution": 0.0840528, "FDA_Category_X_Top_Rank": 0.00258028, "FDA_Category_D_and_X_L1000_Similarity": 1.41515, "FDA_Category_D_and_X_Structural_Similarity": -1.10851, "FDA_Category_D_and_X_Weighted_Contribution": -0.401737, "FDA_Category_D_and_X_Top_Rank": -0.0346879, "Placenta_Crossing_L1000_Similarity": 1.14137, "Placenta_Crossing_Structural_Similarity": -1.05373, "Placenta_Crossing_Weighted_Contribution": -0.532116, "Placenta_Crossing_Top_Rank": -0.0648188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2", "InChI_key": "IJHNSHDBIRRJRN-UHFFFAOYSA-N" } }, "CID:4764": { "type": "Drug", "properties": { "id": "CID:4764", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4764", "label": "phenolphthalein", "FDA_Category_D_L1000_Similarity": 0.713244, "FDA_Category_D_Structural_Similarity": 0.203938, "FDA_Category_D_Weighted_Contribution": 0.497592, "FDA_Category_D_Top_Rank": -0.0791651, "FDA_Category_X_L1000_Similarity": -1.42573, "FDA_Category_X_Structural_Similarity": -0.742431, "FDA_Category_X_Weighted_Contribution": -1.20427, "FDA_Category_X_Top_Rank": -0.0917827, "FDA_Category_D_and_X_L1000_Similarity": 0.181853, "FDA_Category_D_and_X_Structural_Similarity": -0.238745, "FDA_Category_D_and_X_Weighted_Contribution": -0.252907, "FDA_Category_D_and_X_Top_Rank": -0.0904458, "Placenta_Crossing_L1000_Similarity": -0.323809, "Placenta_Crossing_Structural_Similarity": -0.771945, "Placenta_Crossing_Weighted_Contribution": -0.859987, "Placenta_Crossing_Top_Rank": -0.0901515, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O", "InChI_key": "KJFMBFZCATUALV-UHFFFAOYSA-N" } }, "CID:4770": { "type": "Drug", "properties": { "id": "CID:4770", "label": "phenprobamate", "lsm": "LSM-5380", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4770", "FDA_Category_D_L1000_Similarity": 0.595067, "FDA_Category_D_Structural_Similarity": 0.167377, "FDA_Category_D_Weighted_Contribution": 0.388314, "FDA_Category_D_Top_Rank": -0.0808485, "FDA_Category_X_L1000_Similarity": 0.696557, "FDA_Category_X_Structural_Similarity": -0.661371, "FDA_Category_X_Weighted_Contribution": -0.405655, "FDA_Category_X_Top_Rank": -0.0792032, "FDA_Category_D_and_X_L1000_Similarity": 0.724485, "FDA_Category_D_and_X_Structural_Similarity": -0.224024, "FDA_Category_D_and_X_Weighted_Contribution": 0.0329379, "FDA_Category_D_and_X_Top_Rank": -0.0804995, "Placenta_Crossing_L1000_Similarity": 0.486818, "Placenta_Crossing_Structural_Similarity": -0.120362, "Placenta_Crossing_Weighted_Contribution": -0.018814, "Placenta_Crossing_Top_Rank": -0.0832136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCCOC(=O)N", "InChI_key": "CAMYKONBWHRPDD-UHFFFAOYSA-N" } }, "CID:4771": { "type": "Drug", "properties": { "id": "CID:4771", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4771", "label": "phentermine", "FDA_Category_D_L1000_Similarity": 1.82394, "FDA_Category_D_Structural_Similarity": 1.24174, "FDA_Category_D_Weighted_Contribution": 2.29397, "FDA_Category_D_Top_Rank": 0.0803305, "FDA_Category_X_L1000_Similarity": 0.06507, "FDA_Category_X_Structural_Similarity": -0.740398, "FDA_Category_X_Weighted_Contribution": -0.724088, "FDA_Category_X_Top_Rank": -0.087112, "FDA_Category_D_and_X_L1000_Similarity": 1.59202, "FDA_Category_D_and_X_Structural_Similarity": 0.586066, "FDA_Category_D_and_X_Weighted_Contribution": 1.36801, "FDA_Category_D_and_X_Top_Rank": -0.00813672, "Placenta_Crossing_L1000_Similarity": 1.37269, "Placenta_Crossing_Structural_Similarity": -0.444839, "Placenta_Crossing_Weighted_Contribution": 0.0990124, "Placenta_Crossing_Top_Rank": -0.0507863, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)(CC1=CC=CC=C1)N", "InChI_key": "DHHVAGZRUROJKS-UHFFFAOYSA-N" } }, "CID:47965": { "type": "Drug", "properties": { "id": "CID:47965", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID47965", "label": "cefadroxil", "FDA_Category_D_L1000_Similarity": 0.669365, "FDA_Category_D_Structural_Similarity": -0.298785, "FDA_Category_D_Weighted_Contribution": -0.0271388, "FDA_Category_D_Top_Rank": -0.0806037, "FDA_Category_X_L1000_Similarity": 1.18126, "FDA_Category_X_Structural_Similarity": -0.511811, "FDA_Category_X_Weighted_Contribution": -0.0461749, "FDA_Category_X_Top_Rank": -0.0650778, "FDA_Category_D_and_X_L1000_Similarity": 0.935729, "FDA_Category_D_and_X_Structural_Similarity": -0.513321, "FDA_Category_D_and_X_Weighted_Contribution": -0.123272, "FDA_Category_D_and_X_Top_Rank": -0.07255, "Placenta_Crossing_L1000_Similarity": 0.355436, "Placenta_Crossing_Structural_Similarity": 1.40411, "Placenta_Crossing_Weighted_Contribution": 1.49408, "Placenta_Crossing_Top_Rank": -0.0258391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O", "InChI_key": "BOEGTKLJZSQCCD-UEKVPHQBSA-N" } }, "CID:4810": { "type": "Drug", "properties": { "id": "CID:4810", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4810", "label": "moxonidine", "FDA_Category_D_L1000_Similarity": 1.1154, "FDA_Category_D_Structural_Similarity": 0.903738, "FDA_Category_D_Weighted_Contribution": 1.50887, "FDA_Category_D_Top_Rank": -0.0551987, "FDA_Category_X_L1000_Similarity": -0.598763, "FDA_Category_X_Structural_Similarity": -0.418098, "FDA_Category_X_Weighted_Contribution": -0.731474, "FDA_Category_X_Top_Rank": -0.0885185, "FDA_Category_D_and_X_L1000_Similarity": 0.779657, "FDA_Category_D_and_X_Structural_Similarity": 0.491705, "FDA_Category_D_and_X_Weighted_Contribution": 0.781376, "FDA_Category_D_and_X_Top_Rank": -0.0741461, "Placenta_Crossing_L1000_Similarity": 0.832334, "Placenta_Crossing_Structural_Similarity": 0.571489, "Placenta_Crossing_Weighted_Contribution": 0.857394, "Placenta_Crossing_Top_Rank": -0.0675253, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC", "InChI_key": "WPNJAUFVNXKLIM-UHFFFAOYSA-N" } }, "CID:4831": { "type": "Drug", "properties": { "id": "CID:4831", "label": "pipemidic acid", "lsm": "LSM-5267", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4831", "FDA_Category_D_L1000_Similarity": 0.364556, "FDA_Category_D_Structural_Similarity": -0.739721, "FDA_Category_D_Weighted_Contribution": -0.558518, "FDA_Category_D_Top_Rank": -0.0877695, "FDA_Category_X_L1000_Similarity": -0.897869, "FDA_Category_X_Structural_Similarity": 0.572274, "FDA_Category_X_Weighted_Contribution": -0.00363702, "FDA_Category_X_Top_Rank": -0.0588617, "FDA_Category_D_and_X_L1000_Similarity": 0.0415924, "FDA_Category_D_and_X_Structural_Similarity": -0.27833, "FDA_Category_D_and_X_Weighted_Contribution": -0.352443, "FDA_Category_D_and_X_Top_Rank": -0.0914034, "Placenta_Crossing_L1000_Similarity": -0.486863, "Placenta_Crossing_Structural_Similarity": 0.00968693, "Placenta_Crossing_Weighted_Contribution": -0.3407, "Placenta_Crossing_Top_Rank": -0.0821335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O", "InChI_key": "JOHZPMXAZQZXHR-UHFFFAOYSA-N" } }, "CID:4843": { "type": "Drug", "properties": { "id": "CID:4843", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4843", "label": "piracetam", "FDA_Category_D_L1000_Similarity": -0.390117, "FDA_Category_D_Structural_Similarity": 0.538017, "FDA_Category_D_Weighted_Contribution": 0.180935, "FDA_Category_D_Top_Rank": -0.0697651, "FDA_Category_X_L1000_Similarity": -0.0156064, "FDA_Category_X_Structural_Similarity": -0.354122, "FDA_Category_X_Weighted_Contribution": -0.447703, "FDA_Category_X_Top_Rank": -0.0874385, "FDA_Category_D_and_X_L1000_Similarity": -0.341023, "FDA_Category_D_and_X_Structural_Similarity": 0.235948, "FDA_Category_D_and_X_Weighted_Contribution": -0.0931296, "FDA_Category_D_and_X_Top_Rank": -0.080925, "Placenta_Crossing_L1000_Similarity": 0.0515612, "Placenta_Crossing_Structural_Similarity": 0.186512, "Placenta_Crossing_Weighted_Contribution": 0.061984, "Placenta_Crossing_Top_Rank": -0.0781517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)N(C1)CC(=O)N", "InChI_key": "GMZVRMREEHBGGF-UHFFFAOYSA-N" } }, "CID:4846": { "type": "Drug", "properties": { "id": "CID:4846", "label": "pirenoxine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4846", "FDA_Category_D_L1000_Similarity": -0.00362047, "FDA_Category_D_Structural_Similarity": -0.467442, "FDA_Category_D_Weighted_Contribution": -0.514177, "FDA_Category_D_Top_Rank": -0.0921979, "FDA_Category_X_L1000_Similarity": 0.935618, "FDA_Category_X_Structural_Similarity": -0.550742, "FDA_Category_X_Weighted_Contribution": -0.199563, "FDA_Category_X_Top_Rank": -0.0734622, "FDA_Category_D_and_X_L1000_Similarity": 0.281008, "FDA_Category_D_and_X_Structural_Similarity": -0.668193, "FDA_Category_D_and_X_Weighted_Contribution": -0.555068, "FDA_Category_D_and_X_Top_Rank": -0.0892206, "Placenta_Crossing_L1000_Similarity": 0.485518, "Placenta_Crossing_Structural_Similarity": -0.132533, "Placenta_Crossing_Weighted_Contribution": -0.0307143, "Placenta_Crossing_Top_Rank": -0.083222, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4847": { "type": "Drug", "properties": { "id": "CID:4847", "label": "pirenperone", "lsm": "LSM-2550", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4847", "FDA_Category_D_L1000_Similarity": 0.78824, "FDA_Category_D_Structural_Similarity": -0.76875, "FDA_Category_D_Weighted_Contribution": -0.382233, "FDA_Category_D_Top_Rank": -0.0764849, "FDA_Category_X_L1000_Similarity": 1.65018, "FDA_Category_X_Structural_Similarity": -0.466583, "FDA_Category_X_Weighted_Contribution": 0.234219, "FDA_Category_X_Top_Rank": -0.0352391, "FDA_Category_D_and_X_L1000_Similarity": 1.1806, "FDA_Category_D_and_X_Structural_Similarity": -0.861934, "FDA_Category_D_and_X_Weighted_Contribution": -0.306679, "FDA_Category_D_and_X_Top_Rank": -0.0563045, "Placenta_Crossing_L1000_Similarity": 0.578189, "Placenta_Crossing_Structural_Similarity": -0.729077, "Placenta_Crossing_Weighted_Contribution": -0.50176, "Placenta_Crossing_Top_Rank": -0.0814943, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F", "InChI_key": "HXCNRYXBZNHDNE-UHFFFAOYSA-N" } }, "CID:4884": { "type": "Drug", "properties": { "id": "CID:4884", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4884", "label": "pralidoxime", "FDA_Category_D_L1000_Similarity": 0.586191, "FDA_Category_D_Structural_Similarity": 0.940104, "FDA_Category_D_Weighted_Contribution": 1.21006, "FDA_Category_D_Top_Rank": -0.0534572, "FDA_Category_X_L1000_Similarity": 0.195343, "FDA_Category_X_Structural_Similarity": 0.934233, "FDA_Category_X_Weighted_Contribution": 0.967782, "FDA_Category_X_Top_Rank": -0.0439314, "FDA_Category_D_and_X_L1000_Similarity": 0.564627, "FDA_Category_D_and_X_Structural_Similarity": 1.25028, "FDA_Category_D_and_X_Weighted_Contribution": 1.46213, "FDA_Category_D_and_X_Top_Rank": -0.0354921, "Placenta_Crossing_L1000_Similarity": 0.645879, "Placenta_Crossing_Structural_Similarity": 2.25692, "Placenta_Crossing_Weighted_Contribution": 2.5004, "Placenta_Crossing_Top_Rank": 0.0581703, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1=CC=CC=C1C=NO", "InChI_key": "JBKPUQTUERUYQE-UHFFFAOYSA-O" } }, "CID:4906": { "type": "Drug", "properties": { "id": "CID:4906", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4906", "label": "prilocaine", "ref": "LSM-5078", "FDA_Category_D_L1000_Similarity": 1.08697, "FDA_Category_D_Structural_Similarity": -0.478683, "FDA_Category_D_Weighted_Contribution": 0.0339227, "FDA_Category_D_Top_Rank": -0.0594302, "FDA_Category_X_L1000_Similarity": 0.802186, "FDA_Category_X_Structural_Similarity": -0.229815, "FDA_Category_X_Weighted_Contribution": 0.0442713, "FDA_Category_X_Top_Rank": -0.0768502, "FDA_Category_D_and_X_L1000_Similarity": 1.1806, "FDA_Category_D_and_X_Structural_Similarity": -0.503944, "FDA_Category_D_and_X_Weighted_Contribution": 0.0103711, "FDA_Category_D_and_X_Top_Rank": -0.0563045, "Placenta_Crossing_L1000_Similarity": 0.967366, "Placenta_Crossing_Structural_Similarity": 2.45668, "Placenta_Crossing_Weighted_Contribution": 2.81392, "Placenta_Crossing_Top_Rank": 0.0833777, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCCNC(C)C(=O)NC1=CC=CC=C1C", "InChI_key": "MVFGUOIZUNYYSO-UHFFFAOYSA-N" } }, "CID:4909": { "type": "Drug", "properties": { "id": "CID:4909", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4909", "label": "primidone", "ref": "LSM-2700", "FDA_Category_D_L1000_Similarity": 1.22983, "FDA_Category_D_Structural_Similarity": -0.695835, "FDA_Category_D_Weighted_Contribution": -0.0910831, "FDA_Category_D_Top_Rank": -0.0455929, "FDA_Category_X_L1000_Similarity": 1.59531, "FDA_Category_X_Structural_Similarity": -0.686482, "FDA_Category_X_Weighted_Contribution": -0.014548, "FDA_Category_X_Top_Rank": -0.0399399, "FDA_Category_D_and_X_L1000_Similarity": 1.5446, "FDA_Category_D_and_X_Structural_Similarity": -0.922717, "FDA_Category_D_and_X_Weighted_Contribution": -0.183572, "FDA_Category_D_and_X_Top_Rank": -0.0164392, "Placenta_Crossing_L1000_Similarity": 2.0172, "Placenta_Crossing_Structural_Similarity": -1.13154, "Placenta_Crossing_Weighted_Contribution": -0.230318, "Placenta_Crossing_Top_Rank": 0.0488145, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCC1(C(=O)NCNC1=O)C2=CC=CC=C2", "InChI_key": "DQMZLTXERSFNPB-UHFFFAOYSA-N" } }, "CID:4923": { "type": "Drug", "properties": { "id": "CID:4923", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4923", "label": "proguanil", "FDA_Category_D_L1000_Similarity": 1.27416, "FDA_Category_D_Structural_Similarity": -0.886321, "FDA_Category_D_Weighted_Contribution": -0.239142, "FDA_Category_D_Top_Rank": -0.0403735, "FDA_Category_X_L1000_Similarity": 1.4973, "FDA_Category_X_Structural_Similarity": -0.513539, "FDA_Category_X_Weighted_Contribution": 0.1083, "FDA_Category_X_Top_Rank": -0.0472198, "FDA_Category_D_and_X_L1000_Similarity": 1.55305, "FDA_Category_D_and_X_Structural_Similarity": -0.980588, "FDA_Category_D_and_X_Weighted_Contribution": -0.229838, "FDA_Category_D_and_X_Top_Rank": -0.0149781, "Placenta_Crossing_L1000_Similarity": 0.750062, "Placenta_Crossing_Structural_Similarity": -0.27602, "Placenta_Crossing_Weighted_Contribution": -0.039299, "Placenta_Crossing_Top_Rank": -0.0776747, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl", "InChI_key": "SSOLNOMRVKKSON-UHFFFAOYSA-N" } }, "CID:4932": { "type": "Drug", "properties": { "id": "CID:4932", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4932", "label": "propafenone", "ref": "LSM-1416", "FDA_Category_D_L1000_Similarity": 1.56493, "FDA_Category_D_Structural_Similarity": -0.864144, "FDA_Category_D_Weighted_Contribution": -0.0652913, "FDA_Category_D_Top_Rank": 0.00624677, "FDA_Category_X_L1000_Similarity": 2.23839, "FDA_Category_X_Structural_Similarity": -0.666137, "FDA_Category_X_Weighted_Contribution": 0.333098, "FDA_Category_X_Top_Rank": 0.0600326, "FDA_Category_D_and_X_L1000_Similarity": 2.02874, "FDA_Category_D_and_X_Structural_Similarity": -1.04533, "FDA_Category_D_and_X_Weighted_Contribution": -0.050346, "FDA_Category_D_and_X_Top_Rank": 0.105751, "Placenta_Crossing_L1000_Similarity": 1.98274, "Placenta_Crossing_Structural_Similarity": -0.40526, "Placenta_Crossing_Weighted_Contribution": 0.445114, "Placenta_Crossing_Top_Rank": 0.0387568, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O", "InChI_key": "JWHAUXFOSRPERK-UHFFFAOYSA-N" } }, "CID:4946": { "type": "Drug", "properties": { "id": "CID:4946", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4946", "label": "propranolol", "FDA_Category_D_L1000_Similarity": 1.12707, "FDA_Category_D_Structural_Similarity": -0.344919, "FDA_Category_D_Weighted_Contribution": 0.186363, "FDA_Category_D_Top_Rank": -0.0558304, "FDA_Category_X_L1000_Similarity": 1.71437, "FDA_Category_X_Structural_Similarity": 0.564225, "FDA_Category_X_Weighted_Contribution": 1.4121, "FDA_Category_X_Top_Rank": -0.0291024, "FDA_Category_D_and_X_L1000_Similarity": 1.49218, "FDA_Category_D_and_X_Structural_Similarity": 0.0306868, "FDA_Category_D_and_X_Weighted_Contribution": 0.716608, "FDA_Category_D_and_X_Top_Rank": -0.0246027, "Placenta_Crossing_L1000_Similarity": 1.33127, "Placenta_Crossing_Structural_Similarity": 4.95089, "Placenta_Crossing_Weighted_Contribution": 4.10747, "Placenta_Crossing_Top_Rank": 0.963394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O", "InChI_key": "AQHHHDLHHXJYJD-UHFFFAOYSA-N" } }, "CID:4950": { "type": "Drug", "properties": { "id": "CID:4950", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4950", "label": "propylthiouracil", "FDA_Category_D_L1000_Similarity": 1.61638, "FDA_Category_D_Structural_Similarity": -0.526902, "FDA_Category_D_Weighted_Contribution": 0.290576, "FDA_Category_D_Top_Rank": 0.0175063, "FDA_Category_X_L1000_Similarity": -0.992401, "FDA_Category_X_Structural_Similarity": 0.472298, "FDA_Category_X_Weighted_Contribution": -0.145145, "FDA_Category_X_Top_Rank": -0.0631559, "FDA_Category_D_and_X_L1000_Similarity": 1.09198, "FDA_Category_D_and_X_Structural_Similarity": -0.163359, "FDA_Category_D_and_X_Weighted_Contribution": 0.289409, "FDA_Category_D_and_X_Top_Rank": -0.0631692, "Placenta_Crossing_L1000_Similarity": 0.647653, "Placenta_Crossing_Structural_Similarity": -0.671162, "Placenta_Crossing_Weighted_Contribution": -0.42748, "Placenta_Crossing_Top_Rank": -0.0800329, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCC1=CC(=O)N=C(N1)S", "InChI_key": "KNAHARQHSZJURB-UHFFFAOYSA-N" } }, "CID:4970": { "type": "Drug", "properties": { "id": "CID:4970", "label": "protopine", "lsm": "LSM-3874", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4970", "FDA_Category_D_L1000_Similarity": 0.361196, "FDA_Category_D_Structural_Similarity": -0.782948, "FDA_Category_D_Weighted_Contribution": -0.593233, "FDA_Category_D_Top_Rank": -0.0878186, "FDA_Category_X_L1000_Similarity": 1.36661, "FDA_Category_X_Structural_Similarity": -0.631252, "FDA_Category_X_Weighted_Contribution": -0.071933, "FDA_Category_X_Top_Rank": -0.0552568, "FDA_Category_D_and_X_L1000_Similarity": 0.726373, "FDA_Category_D_and_X_Structural_Similarity": -0.962057, "FDA_Category_D_and_X_Weighted_Contribution": -0.588314, "FDA_Category_D_and_X_Top_Rank": -0.0803928, "Placenta_Crossing_L1000_Similarity": 0.798609, "Placenta_Crossing_Structural_Similarity": -0.189102, "Placenta_Crossing_Weighted_Contribution": 0.0651805, "Placenta_Crossing_Top_Rank": -0.0764216, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3", "InChI_key": "GPTFURBXHJWNHR-UHFFFAOYSA-N" } }, "CID:49806720": { "type": "Drug", "properties": { "id": "CID:49806720", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID49806720", "label": "alectinib", "FDA_Category_D_L1000_Similarity": 1.1187, "FDA_Category_D_Structural_Similarity": 0.223463, "FDA_Category_D_Weighted_Contribution": 0.769722, "FDA_Category_D_Top_Rank": -0.056597, "FDA_Category_X_L1000_Similarity": 1.9124, "FDA_Category_X_Structural_Similarity": -0.139762, "FDA_Category_X_Weighted_Contribution": 0.726828, "FDA_Category_X_Top_Rank": -0.00338553, "FDA_Category_D_and_X_L1000_Similarity": 1.5451, "FDA_Category_D_and_X_Structural_Similarity": 0.10195, "FDA_Category_D_and_X_Weighted_Contribution": 0.822906, "FDA_Category_D_and_X_Top_Rank": -0.0163084, "Placenta_Crossing_L1000_Similarity": 1.55607, "Placenta_Crossing_Structural_Similarity": -0.171021, "Placenta_Crossing_Weighted_Contribution": 0.46333, "Placenta_Crossing_Top_Rank": -0.033556, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C", "InChI_key": "KDGFLJKFZUIJMX-UHFFFAOYSA-N" } }, "CID:49831257": { "type": "Drug", "properties": { "id": "CID:49831257", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID49831257", "label": "filgotinib", "FDA_Category_D_L1000_Similarity": 1.19318, "FDA_Category_D_Structural_Similarity": 1.6546, "FDA_Category_D_Weighted_Contribution": 2.33639, "FDA_Category_D_Top_Rank": 0.000896744, "FDA_Category_X_L1000_Similarity": 1.86422, "FDA_Category_X_Structural_Similarity": -0.742214, "FDA_Category_X_Weighted_Contribution": 0.0631941, "FDA_Category_X_Top_Rank": -0.0115308, "FDA_Category_D_and_X_L1000_Similarity": 1.59466, "FDA_Category_D_and_X_Structural_Similarity": 0.912785, "FDA_Category_D_and_X_Weighted_Contribution": 1.71508, "FDA_Category_D_and_X_Top_Rank": -0.00718608, "Placenta_Crossing_L1000_Similarity": 1.47641, "Placenta_Crossing_Structural_Similarity": -0.851505, "Placenta_Crossing_Weighted_Contribution": -0.225358, "Placenta_Crossing_Top_Rank": -0.0422144, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5", "InChI_key": "RIJLVEAXPNLDTC-UHFFFAOYSA-N" } }, "CID:49835877": { "type": "Drug", "properties": { "id": "CID:49835877", "label": "bjm-af-64", "lsm": "LSM-2303", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49835877", "FDA_Category_D_L1000_Similarity": -0.0404382, "FDA_Category_D_Structural_Similarity": 0.91983, "FDA_Category_D_Weighted_Contribution": 0.788632, "FDA_Category_D_Top_Rank": -0.0543434, "FDA_Category_X_L1000_Similarity": -0.514411, "FDA_Category_X_Structural_Similarity": 1.17276, "FDA_Category_X_Weighted_Contribution": 0.836372, "FDA_Category_X_Top_Rank": -0.0308921, "FDA_Category_D_and_X_L1000_Similarity": -0.191082, "FDA_Category_D_and_X_Structural_Similarity": 1.3629, "FDA_Category_D_and_X_Weighted_Contribution": 1.12957, "FDA_Category_D_and_X_Top_Rank": -0.0260748, "Placenta_Crossing_L1000_Similarity": 0.172416, "Placenta_Crossing_Structural_Similarity": -0.752985, "Placenta_Crossing_Weighted_Contribution": -0.674802, "Placenta_Crossing_Top_Rank": -0.0868734, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC", "InChI_key": "HKESSCOHFVBZRN-UHFFFAOYSA-N" } }, "CID:4989": { "type": "Drug", "properties": { "id": "CID:4989", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4989", "label": "Pyrantel", "FDA_Category_D_L1000_Similarity": -0.607704, "FDA_Category_D_Structural_Similarity": 0.0577814, "FDA_Category_D_Weighted_Contribution": -0.374636, "FDA_Category_D_Top_Rank": -0.0837448, "FDA_Category_X_L1000_Similarity": -0.863825, "FDA_Category_X_Structural_Similarity": 1.59048, "FDA_Category_X_Weighted_Contribution": 1.11109, "FDA_Category_X_Top_Rank": -0.00305427, "FDA_Category_D_and_X_L1000_Similarity": -0.786183, "FDA_Category_D_and_X_Structural_Similarity": 0.904081, "FDA_Category_D_and_X_Weighted_Contribution": 0.30386, "FDA_Category_D_and_X_Top_Rank": -0.0578318, "Placenta_Crossing_L1000_Similarity": -0.378413, "Placenta_Crossing_Structural_Similarity": -0.106358, "Placenta_Crossing_Weighted_Contribution": -0.391354, "Placenta_Crossing_Top_Rank": -0.084309, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4990100": { "type": "Drug", "properties": { "id": "CID:4990100", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4990100", "label": "kynuramine", "FDA_Category_D_L1000_Similarity": 0.382523, "FDA_Category_D_Structural_Similarity": -0.882477, "FDA_Category_D_Weighted_Contribution": -0.658481, "FDA_Category_D_Top_Rank": -0.0874806, "FDA_Category_X_L1000_Similarity": 0.0452458, "FDA_Category_X_Structural_Similarity": -0.710813, "FDA_Category_X_Weighted_Contribution": -0.709308, "FDA_Category_X_Top_Rank": -0.0872809, "FDA_Category_D_and_X_L1000_Similarity": 0.343481, "FDA_Category_D_and_X_Structural_Similarity": -1.08399, "FDA_Category_D_and_X_Weighted_Contribution": -0.8239, "FDA_Category_D_and_X_Top_Rank": -0.0883355, "Placenta_Crossing_L1000_Similarity": 0.98903, "Placenta_Crossing_Structural_Similarity": -1.05038, "Placenta_Crossing_Weighted_Contribution": -0.58859, "Placenta_Crossing_Top_Rank": -0.0708259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)C(CN)N", "InChI_key": "KVMYSBIFGBLUGK-UHFFFAOYSA-N" } }, "CID:4991": { "type": "Drug", "properties": { "id": "CID:4991", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4991", "label": "pyridostigmine", "FDA_Category_D_L1000_Similarity": 0.954111, "FDA_Category_D_Structural_Similarity": -0.113117, "FDA_Category_D_Weighted_Contribution": 0.316791, "FDA_Category_D_Top_Rank": -0.0682236, "FDA_Category_X_L1000_Similarity": 1.96735, "FDA_Category_X_Structural_Similarity": -0.651622, "FDA_Category_X_Weighted_Contribution": 0.207087, "FDA_Category_X_Top_Rank": 0.00685864, "FDA_Category_D_and_X_L1000_Similarity": 1.4199, "FDA_Category_D_and_X_Structural_Similarity": -0.441395, "FDA_Category_D_and_X_Weighted_Contribution": 0.19716, "FDA_Category_D_and_X_Top_Rank": -0.0341961, "Placenta_Crossing_L1000_Similarity": 1.5516, "Placenta_Crossing_Structural_Similarity": 0.0582687, "Placenta_Crossing_Weighted_Contribution": 0.69975, "Placenta_Crossing_Top_Rank": -0.0340938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1=CC=CC(=C1)OC(=O)N(C)C", "InChI_key": "RVOLLAQWKVFTGE-UHFFFAOYSA-N" } }, "CID:4993": { "type": "Drug", "properties": { "id": "CID:4993", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4993", "label": "pyrimethamine", "FDA_Category_D_L1000_Similarity": -0.869349, "FDA_Category_D_Structural_Similarity": -0.7544, "FDA_Category_D_Weighted_Contribution": -1.05393, "FDA_Category_D_Top_Rank": -0.0960771, "FDA_Category_X_L1000_Similarity": -1.71534, "FDA_Category_X_Structural_Similarity": -0.624699, "FDA_Category_X_Weighted_Contribution": -1.21884, "FDA_Category_X_Top_Rank": -0.0913233, "FDA_Category_D_and_X_L1000_Similarity": -1.27031, "FDA_Category_D_and_X_Structural_Similarity": -0.935862, "FDA_Category_D_and_X_Weighted_Contribution": -1.24399, "FDA_Category_D_and_X_Top_Rank": -0.0965011, "Placenta_Crossing_L1000_Similarity": -1.80531, "Placenta_Crossing_Structural_Similarity": 0.806999, "Placenta_Crossing_Weighted_Contribution": -0.230885, "Placenta_Crossing_Top_Rank": -0.0593428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl", "InChI_key": "WKSAUQYGYAYLPV-UHFFFAOYSA-N" } }, "CID:4994": { "type": "Drug", "properties": { "id": "CID:4994", "label": "pyrithyldione", "lsm": "LSM-5490", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4994", "FDA_Category_D_L1000_Similarity": -0.00732134, "FDA_Category_D_Structural_Similarity": -0.461583, "FDA_Category_D_Weighted_Contribution": -0.511258, "FDA_Category_D_Top_Rank": -0.0922291, "FDA_Category_X_L1000_Similarity": 0.113387, "FDA_Category_X_Structural_Similarity": 0.141953, "FDA_Category_X_Weighted_Contribution": 0.0712057, "FDA_Category_X_Top_Rank": -0.075614, "FDA_Category_D_and_X_L1000_Similarity": 0.0281194, "FDA_Category_D_and_X_Structural_Similarity": -0.289768, "FDA_Category_D_and_X_Weighted_Contribution": -0.368094, "FDA_Category_D_and_X_Top_Rank": -0.09158, "Placenta_Crossing_L1000_Similarity": 0.0211743, "Placenta_Crossing_Structural_Similarity": 0.961537, "Placenta_Crossing_Weighted_Contribution": 0.834468, "Placenta_Crossing_Top_Rank": -0.0520854, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(C(=O)C=CNC1=O)CC", "InChI_key": "NZASCBIBXNPDMH-UHFFFAOYSA-N" } }, "CID:4995951": { "type": "Drug", "properties": { "id": "CID:4995951", "label": "pd-102807", "lsm": "LSM-1888", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4995951", "FDA_Category_D_L1000_Similarity": -1.97985, "FDA_Category_D_Structural_Similarity": 1.03946, "FDA_Category_D_Weighted_Contribution": -0.221262, "FDA_Category_D_Top_Rank": -0.0483903, "FDA_Category_X_L1000_Similarity": 0.109093, "FDA_Category_X_Structural_Similarity": 1.99248, "FDA_Category_X_Weighted_Contribution": 2.10957, "FDA_Category_X_Top_Rank": 0.0406369, "FDA_Category_D_and_X_L1000_Similarity": -1.67353, "FDA_Category_D_and_X_Structural_Similarity": 1.90017, "FDA_Category_D_and_X_Weighted_Contribution": 0.816519, "FDA_Category_D_and_X_Top_Rank": 0.0242703, "Placenta_Crossing_L1000_Similarity": -2.80855, "Placenta_Crossing_Structural_Similarity": -0.381495, "Placenta_Crossing_Weighted_Contribution": -1.32485, "Placenta_Crossing_Top_Rank": -0.0884899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C", "InChI_key": "VDDUJINYXKGZLV-UHFFFAOYSA-N" } }, "CID:5029": { "type": "Drug", "properties": { "id": "CID:5029", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5029", "label": "rabeprazole", "FDA_Category_D_L1000_Similarity": 0.162668, "FDA_Category_X_L1000_Similarity": -0.657637, "FDA_Category_D_and_X_L1000_Similarity": -0.0594823, "Placenta_Crossing_L1000_Similarity": -0.390215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC", "InChI_key": "YREYEVIYCVEVJK-UHFFFAOYSA-N" } }, "CID:5063": { "type": "Drug", "properties": { "id": "CID:5063", "label": "rhc-80267", "lsm": "LSM-3249", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5063", "FDA_Category_D_L1000_Similarity": 1.19517, "FDA_Category_D_Structural_Similarity": -0.95113, "FDA_Category_D_Weighted_Contribution": -0.335145, "FDA_Category_D_Top_Rank": -0.0494646, "FDA_Category_X_L1000_Similarity": 1.2378, "FDA_Category_X_Structural_Similarity": -0.707896, "FDA_Category_X_Weighted_Contribution": -0.205062, "FDA_Category_X_Top_Rank": -0.0624721, "FDA_Category_D_and_X_L1000_Similarity": 1.40615, "FDA_Category_D_and_X_Structural_Similarity": -1.1369, "FDA_Category_D_and_X_Weighted_Contribution": -0.428697, "FDA_Category_D_and_X_Top_Rank": -0.0354921, "Placenta_Crossing_L1000_Similarity": 1.41802, "Placenta_Crossing_Structural_Similarity": -1.01528, "Placenta_Crossing_Weighted_Contribution": -0.389368, "Placenta_Crossing_Top_Rank": -0.0469525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1", "InChI_key": "RXSVYGIGWRDVQC-UHFFFAOYSA-N" } }, "CID:5071": { "type": "Drug", "properties": { "id": "CID:5071", "label": "rimantadine", "lsm": "LSM-5143", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5071", "FDA_Category_D_L1000_Similarity": 1.07689, "FDA_Category_D_Structural_Similarity": -0.937243, "FDA_Category_D_Weighted_Contribution": -0.381785, "FDA_Category_D_Top_Rank": -0.0603739, "FDA_Category_X_L1000_Similarity": 1.39288, "FDA_Category_X_Structural_Similarity": -0.741767, "FDA_Category_X_Weighted_Contribution": -0.164359, "FDA_Category_X_Top_Rank": -0.053831, "FDA_Category_D_and_X_L1000_Similarity": 1.35129, "FDA_Category_D_and_X_Structural_Similarity": -1.14416, "FDA_Category_D_and_X_Weighted_Contribution": -0.45898, "FDA_Category_D_and_X_Top_Rank": -0.0424752, "Placenta_Crossing_L1000_Similarity": 0.472141, "Placenta_Crossing_Structural_Similarity": -0.96819, "Placenta_Crossing_Weighted_Contribution": -0.71981, "Placenta_Crossing_Top_Rank": -0.0834093, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C12CC3CC(C1)CC(C3)C2)N", "InChI_key": "UBCHPRBFMUDMNC-UHFFFAOYSA-N" } }, "CID:50878566": { "type": "Drug", "properties": { "id": "CID:50878566", "label": "S-ruxolitinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50878566", "FDA_Category_D_L1000_Similarity": 1.56194, "FDA_Category_X_L1000_Similarity": 0.891205, "FDA_Category_D_and_X_L1000_Similarity": 1.61706, "Placenta_Crossing_L1000_Similarity": 2.17711, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5090": { "type": "Drug", "properties": { "id": "CID:5090", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5090", "label": "rofecoxib", "ref": "LSM-2482", "FDA_Category_D_L1000_Similarity": 0.59764, "FDA_Category_D_Structural_Similarity": -0.872989, "FDA_Category_D_Weighted_Contribution": -0.556021, "FDA_Category_D_Top_Rank": -0.0827107, "FDA_Category_X_L1000_Similarity": 2.05639, "FDA_Category_X_Structural_Similarity": 2.34994, "FDA_Category_X_Weighted_Contribution": 3.33572, "FDA_Category_X_Top_Rank": 0.0851194, "FDA_Category_D_and_X_L1000_Similarity": 1.13966, "FDA_Category_D_and_X_Structural_Similarity": 0.575114, "FDA_Category_D_and_X_Weighted_Contribution": 1.0848, "FDA_Category_D_and_X_Top_Rank": -0.0600331, "Placenta_Crossing_L1000_Similarity": 1.56836, "Placenta_Crossing_Structural_Similarity": -0.985815, "Placenta_Crossing_Weighted_Contribution": -0.300908, "Placenta_Crossing_Top_Rank": -0.0321308, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3", "InChI_key": "RZJQGNCSTQAWON-UHFFFAOYSA-N" } }, "CID:5092098": { "type": "Drug", "properties": { "id": "CID:5092098", "label": "ru-28318", "lsm": "LSM-1907", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5092098", "FDA_Category_D_L1000_Similarity": 0.490464, "FDA_Category_D_Structural_Similarity": -0.0908982, "FDA_Category_D_Weighted_Contribution": 0.0707232, "FDA_Category_D_Top_Rank": -0.0854682, "FDA_Category_X_L1000_Similarity": -0.0980982, "FDA_Category_X_Structural_Similarity": 2.04924, "FDA_Category_X_Weighted_Contribution": 2.05886, "FDA_Category_X_Top_Rank": 0.0446489, "FDA_Category_D_and_X_L1000_Similarity": 0.392987, "FDA_Category_D_and_X_Structural_Similarity": 1.03361, "FDA_Category_D_and_X_Weighted_Contribution": 1.12757, "FDA_Category_D_and_X_Top_Rank": -0.0510337, "Placenta_Crossing_L1000_Similarity": 0.240547, "Placenta_Crossing_Structural_Similarity": 0.332101, "Placenta_Crossing_Weighted_Contribution": 0.297113, "Placenta_Crossing_Top_Rank": -0.0742924, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C", "InChI_key": "DNHCHRGCTVRAFT-UHFFFAOYSA-N" } }, "CID:50922681": { "type": "Drug", "properties": { "id": "CID:50922681", "label": "NSI-189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50922681", "FDA_Category_D_L1000_Similarity": 0.895052, "FDA_Category_D_Structural_Similarity": -0.327933, "FDA_Category_D_Weighted_Contribution": 0.0706132, "FDA_Category_D_Top_Rank": -0.071701, "FDA_Category_X_L1000_Similarity": 2.18907, "FDA_Category_X_Structural_Similarity": 6.61845, "FDA_Category_X_Weighted_Contribution": 4.63137, "FDA_Category_X_Top_Rank": 1.83746, "FDA_Category_D_and_X_L1000_Similarity": 1.43632, "FDA_Category_D_and_X_Structural_Similarity": 3.311, "FDA_Category_D_and_X_Weighted_Contribution": 3.54804, "FDA_Category_D_and_X_Top_Rank": 0.298484, "Placenta_Crossing_L1000_Similarity": 1.29479, "Placenta_Crossing_Structural_Similarity": 2.76065, "Placenta_Crossing_Weighted_Contribution": 3.16763, "Placenta_Crossing_Top_Rank": 0.143405, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51003702": { "type": "Drug", "properties": { "id": "CID:51003702", "label": "arg-csc2-23", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51003702", "FDA_Category_D_L1000_Similarity": -0.235725, "FDA_Category_D_Structural_Similarity": -0.220693, "FDA_Category_D_Weighted_Contribution": -0.424908, "FDA_Category_D_Top_Rank": -0.0899308, "FDA_Category_X_L1000_Similarity": 1.63301, "FDA_Category_X_Structural_Similarity": -0.280191, "FDA_Category_X_Weighted_Contribution": 0.42114, "FDA_Category_X_Top_Rank": -0.0371398, "FDA_Category_D_and_X_L1000_Similarity": 0.292718, "FDA_Category_D_and_X_Structural_Similarity": -0.326357, "FDA_Category_D_and_X_Weighted_Contribution": -0.274654, "FDA_Category_D_and_X_Top_Rank": -0.0890556, "Placenta_Crossing_L1000_Similarity": -0.141735, "Placenta_Crossing_Structural_Similarity": -0.265645, "Placenta_Crossing_Weighted_Contribution": -0.423381, "Placenta_Crossing_Top_Rank": -0.08696, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CSC(=N1)NC(=O)C2=CC=C(O2)COC3=CC(=C(C=C3)Cl)Cl", "InChI_key": "GLFBLSUENFRANO-UHFFFAOYSA-N" } }, "CID:51003717": { "type": "Drug", "properties": { "id": "CID:51003717", "label": "cvf-sumo-13", "lsm": "LSM-4834", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51003717", "FDA_Category_D_L1000_Similarity": -0.653878, "FDA_Category_D_Structural_Similarity": -0.843109, "FDA_Category_D_Weighted_Contribution": -1.03233, "FDA_Category_D_Top_Rank": -0.0956075, "FDA_Category_X_L1000_Similarity": -0.322409, "FDA_Category_X_Structural_Similarity": -0.601607, "FDA_Category_X_Weighted_Contribution": -0.7649, "FDA_Category_X_Top_Rank": -0.0893648, "FDA_Category_D_and_X_L1000_Similarity": -0.661561, "FDA_Category_D_and_X_Structural_Similarity": -0.993811, "FDA_Category_D_and_X_Weighted_Contribution": -1.10366, "FDA_Category_D_and_X_Top_Rank": -0.0955628, "Placenta_Crossing_L1000_Similarity": -0.778753, "Placenta_Crossing_Structural_Similarity": -0.911342, "Placenta_Crossing_Weighted_Contribution": -1.08113, "Placenta_Crossing_Top_Rank": -0.091464, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F", "InChI_key": "MFDWJDXTGBHHCQ-UHFFFAOYSA-N" } }, "CID:51081": { "type": "Drug", "properties": { "id": "CID:51081", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID51081", "label": "pefloxacin", "FDA_Category_D_L1000_Similarity": 0.912745, "FDA_Category_D_Structural_Similarity": -0.273269, "FDA_Category_D_Weighted_Contribution": 0.133549, "FDA_Category_D_Top_Rank": -0.0708348, "FDA_Category_X_L1000_Similarity": 0.738665, "FDA_Category_X_Structural_Similarity": 1.05438, "FDA_Category_X_Weighted_Contribution": 1.41428, "FDA_Category_X_Top_Rank": -0.0379481, "FDA_Category_D_and_X_L1000_Similarity": 1.01112, "FDA_Category_D_and_X_Structural_Similarity": 0.352044, "FDA_Category_D_and_X_Weighted_Contribution": 0.770934, "FDA_Category_D_and_X_Top_Rank": -0.0684953, "Placenta_Crossing_L1000_Similarity": 1.19554, "Placenta_Crossing_Structural_Similarity": 0.454632, "Placenta_Crossing_Weighted_Contribution": 0.929615, "Placenta_Crossing_Top_Rank": -0.062034, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O", "InChI_key": "FHFYDNQZQSQIAI-UHFFFAOYSA-N" } }, "CID:51173": { "type": "Drug", "properties": { "id": "CID:51173", "label": "flurofamide", "lsm": "LSM-3502", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51173", "FDA_Category_D_L1000_Similarity": 0.967947, "FDA_Category_D_Structural_Similarity": 1.60306, "FDA_Category_D_Weighted_Contribution": 2.15486, "FDA_Category_D_Top_Rank": -0.00497152, "FDA_Category_X_L1000_Similarity": 0.784513, "FDA_Category_X_Structural_Similarity": -0.161094, "FDA_Category_X_Weighted_Contribution": 0.104037, "FDA_Category_X_Top_Rank": -0.0773088, "FDA_Category_D_and_X_L1000_Similarity": 1.07263, "FDA_Category_D_and_X_Structural_Similarity": 1.18544, "FDA_Category_D_and_X_Weighted_Contribution": 1.69423, "FDA_Category_D_and_X_Top_Rank": -0.0402908, "Placenta_Crossing_L1000_Similarity": 1.39523, "Placenta_Crossing_Structural_Similarity": 2.22969, "Placenta_Crossing_Weighted_Contribution": 2.8058, "Placenta_Crossing_Top_Rank": 0.0555027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)NP(=O)(N)N)F", "InChI_key": "QWZFVMCWPLMLTL-UHFFFAOYSA-N" } }, "CID:512292": { "type": "Drug", "properties": { "id": "CID:512292", "label": "iso-olomoucine", "lsm": "LSM-3930", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/512292", "FDA_Category_D_L1000_Similarity": 0.0366951, "FDA_Category_D_Structural_Similarity": 2.05528, "FDA_Category_D_Weighted_Contribution": 2.06023, "FDA_Category_D_Top_Rank": 0.0581708, "FDA_Category_X_L1000_Similarity": 0.914778, "FDA_Category_X_Structural_Similarity": 1.60517, "FDA_Category_X_Weighted_Contribution": 2.12662, "FDA_Category_X_Top_Rank": -0.00101691, "FDA_Category_D_and_X_L1000_Similarity": 0.309431, "FDA_Category_D_and_X_Structural_Similarity": 2.49744, "FDA_Category_D_and_X_Weighted_Contribution": 2.55416, "FDA_Category_D_and_X_Top_Rank": 0.106513, "Placenta_Crossing_L1000_Similarity": 0.406546, "Placenta_Crossing_Structural_Similarity": 1.56823, "Placenta_Crossing_Weighted_Contribution": 1.69654, "Placenta_Crossing_Top_Rank": -0.0152774, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51346455": { "type": "Drug", "properties": { "id": "CID:51346455", "label": "pf-03814735", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51346455", "FDA_Category_D_L1000_Similarity": -1.79543, "FDA_Category_D_Structural_Similarity": -0.701985, "FDA_Category_D_Weighted_Contribution": -1.30364, "FDA_Category_D_Top_Rank": -0.0958609, "FDA_Category_X_L1000_Similarity": -3.08638, "FDA_Category_X_Structural_Similarity": -0.719303, "FDA_Category_X_Weighted_Contribution": -1.56168, "FDA_Category_X_Top_Rank": -0.0920669, "FDA_Category_D_and_X_L1000_Similarity": -2.48497, "FDA_Category_D_and_X_Structural_Similarity": -0.945308, "FDA_Category_D_and_X_Weighted_Contribution": -1.51171, "FDA_Category_D_and_X_Top_Rank": -0.0965448, "Placenta_Crossing_L1000_Similarity": -2.82032, "Placenta_Crossing_Structural_Similarity": -0.914579, "Placenta_Crossing_Weighted_Contribution": -1.52605, "Placenta_Crossing_Top_Rank": -0.0922152, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCC(=O)N1C2CCC1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F", "InChI_key": "RYYNGWLOYLRZLK-RBUKOAKNSA-N" } }, "CID:51348735": { "type": "Drug", "properties": { "id": "CID:51348735", "label": "hyperforin", "lsm": "LSM-5158", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51348735", "FDA_Category_D_L1000_Similarity": -0.763582, "FDA_Category_D_Structural_Similarity": -0.275017, "FDA_Category_D_Weighted_Contribution": -0.704877, "FDA_Category_D_Top_Rank": -0.0909681, "FDA_Category_X_L1000_Similarity": -0.0323353, "FDA_Category_X_Structural_Similarity": -0.439812, "FDA_Category_X_Weighted_Contribution": -0.526293, "FDA_Category_X_Top_Rank": -0.0878015, "FDA_Category_D_and_X_L1000_Similarity": -0.668044, "FDA_Category_D_and_X_Structural_Similarity": -0.455605, "FDA_Category_D_and_X_Weighted_Contribution": -0.783262, "FDA_Category_D_and_X_Top_Rank": -0.0935493, "Placenta_Crossing_L1000_Similarity": -1.44953, "Placenta_Crossing_Structural_Similarity": 0.384378, "Placenta_Crossing_Weighted_Contribution": -0.434256, "Placenta_Crossing_Top_Rank": -0.0729284, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)C12C(=O)C(C(=O)C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C", "InChI_key": "GQRREYKSPJMLAW-KZFONMTISA-N" } }, "CID:51371334": { "type": "Drug", "properties": { "id": "CID:51371334", "label": "idoxuridin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51371334", "FDA_Category_D_L1000_Similarity": 0.297678, "FDA_Category_D_Structural_Similarity": 3.73925, "FDA_Category_D_Weighted_Contribution": 3.53555, "FDA_Category_D_Top_Rank": 0.441168, "FDA_Category_X_L1000_Similarity": 1.01484, "FDA_Category_X_Structural_Similarity": 0.334166, "FDA_Category_X_Weighted_Contribution": 0.754391, "FDA_Category_X_Top_Rank": -0.068332, "FDA_Category_D_and_X_L1000_Similarity": 0.564793, "FDA_Category_D_and_X_Structural_Similarity": 3.1482, "FDA_Category_D_and_X_Weighted_Contribution": 3.16949, "FDA_Category_D_and_X_Top_Rank": 0.254704, "Placenta_Crossing_L1000_Similarity": -1.96291, "Placenta_Crossing_Structural_Similarity": 0.390044, "Placenta_Crossing_Weighted_Contribution": -0.631191, "Placenta_Crossing_Top_Rank": -0.0728207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51387307": { "type": "Drug", "properties": { "id": "CID:51387307", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID51387307", "label": "Cefsulodin", "FDA_Category_D_L1000_Similarity": -0.0939575, "FDA_Category_D_Structural_Similarity": -0.694281, "FDA_Category_D_Weighted_Contribution": -0.724307, "FDA_Category_D_Top_Rank": -0.0929573, "FDA_Category_X_L1000_Similarity": 0.338233, "FDA_Category_X_Structural_Similarity": -0.523408, "FDA_Category_X_Weighted_Contribution": -0.441092, "FDA_Category_X_Top_Rank": -0.0845208, "FDA_Category_D_and_X_L1000_Similarity": 0.0217267, "FDA_Category_D_and_X_Structural_Similarity": -0.833489, "FDA_Category_D_and_X_Weighted_Contribution": -0.777363, "FDA_Category_D_and_X_Top_Rank": -0.0920074, "Placenta_Crossing_L1000_Similarity": 0.370823, "Placenta_Crossing_Structural_Similarity": 0.399702, "Placenta_Crossing_Weighted_Contribution": 0.432062, "Placenta_Crossing_Top_Rank": -0.0725045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51537051": { "type": "Drug", "properties": { "id": "CID:51537051", "label": "LDN-57444", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51537051", "FDA_Category_D_L1000_Similarity": -0.00735119, "FDA_Category_D_Structural_Similarity": -0.169153, "FDA_Category_D_Weighted_Contribution": -0.268236, "FDA_Category_D_Top_Rank": -0.0888684, "FDA_Category_X_L1000_Similarity": -0.66675, "FDA_Category_X_Structural_Similarity": -0.092022, "FDA_Category_X_Weighted_Contribution": -0.501233, "FDA_Category_X_Top_Rank": -0.0820645, "FDA_Category_D_and_X_L1000_Similarity": -0.208815, "FDA_Category_D_and_X_Structural_Similarity": -0.183913, "FDA_Category_D_and_X_Weighted_Contribution": -0.390152, "FDA_Category_D_and_X_Top_Rank": -0.0899577, "Placenta_Crossing_L1000_Similarity": -0.242204, "Placenta_Crossing_Structural_Similarity": -0.419606, "Placenta_Crossing_Weighted_Contribution": -0.583944, "Placenta_Crossing_Top_Rank": -0.0889041, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5202074": { "type": "Drug", "properties": { "id": "CID:5202074", "label": "mrs-1845", "lsm": "LSM-1463", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5202074", "FDA_Category_D_L1000_Similarity": -0.00791826, "FDA_Category_D_Structural_Similarity": 0.54899, "FDA_Category_D_Weighted_Contribution": 0.417595, "FDA_Category_D_Top_Rank": -0.0693927, "FDA_Category_X_L1000_Similarity": 0.160832, "FDA_Category_X_Structural_Similarity": -0.374027, "FDA_Category_X_Weighted_Contribution": -0.388978, "FDA_Category_X_Top_Rank": -0.0863095, "FDA_Category_D_and_X_L1000_Similarity": 0.0420191, "FDA_Category_D_and_X_Structural_Similarity": 0.233917, "FDA_Category_D_and_X_Weighted_Contribution": 0.103939, "FDA_Category_D_and_X_Top_Rank": -0.0809761, "Placenta_Crossing_L1000_Similarity": 0.481122, "Placenta_Crossing_Structural_Similarity": 0.0967814, "Placenta_Crossing_Weighted_Contribution": 0.185334, "Placenta_Crossing_Top_Rank": -0.0801373, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1CC#C)C)C(=O)OC)C2=CC(=CC=C2)N3OO3)C(=O)CCO", "InChI_key": "VNIMHBLANIQWNY-UHFFFAOYSA-N" } }, "CID:5218788": { "type": "Drug", "properties": { "id": "CID:5218788", "label": "sib-1757", "lsm": "LSM-4215", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5218788", "FDA_Category_D_L1000_Similarity": 1.39225, "FDA_Category_D_Structural_Similarity": 2.9679, "FDA_Category_D_Weighted_Contribution": 3.46071, "FDA_Category_D_Top_Rank": 0.214126, "FDA_Category_X_L1000_Similarity": -0.875603, "FDA_Category_X_Structural_Similarity": -0.678941, "FDA_Category_X_Weighted_Contribution": -1.00625, "FDA_Category_X_Top_Rank": -0.0910507, "FDA_Category_D_and_X_L1000_Similarity": 0.934228, "FDA_Category_D_and_X_Structural_Similarity": 1.98931, "FDA_Category_D_and_X_Weighted_Contribution": 2.41227, "FDA_Category_D_and_X_Top_Rank": 0.0336673, "Placenta_Crossing_L1000_Similarity": 1.35692, "Placenta_Crossing_Structural_Similarity": 2.12752, "Placenta_Crossing_Weighted_Contribution": 2.7042, "Placenta_Crossing_Top_Rank": 0.0456839, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2", "InChI_key": "LOCPVWIREQIGNQ-UHFFFAOYSA-N" } }, "CID:5240": { "type": "Drug", "properties": { "id": "CID:5240", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5240", "label": "iodoacetic-acid", "FDA_Category_D_L1000_Similarity": -1.59836, "FDA_Category_D_Structural_Similarity": -0.268605, "FDA_Category_D_Weighted_Contribution": -1.01981, "FDA_Category_D_Top_Rank": -0.0908036, "FDA_Category_X_L1000_Similarity": -2.53301, "FDA_Category_X_Structural_Similarity": -0.703388, "FDA_Category_X_Weighted_Contribution": -1.44918, "FDA_Category_X_Top_Rank": -0.0919639, "FDA_Category_D_and_X_L1000_Similarity": -2.14704, "FDA_Category_D_and_X_Structural_Similarity": -0.592741, "FDA_Category_D_and_X_Weighted_Contribution": -1.30997, "FDA_Category_D_and_X_Top_Rank": -0.0947468, "Placenta_Crossing_L1000_Similarity": -2.61764, "Placenta_Crossing_Structural_Similarity": -1.03743, "Placenta_Crossing_Weighted_Contribution": -1.53245, "Placenta_Crossing_Top_Rank": -0.0925249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(=O)O)I", "InChI_key": "JDNTWHVOXJZDSN-UHFFFAOYSA-N" } }, "CID:5245": { "type": "Drug", "properties": { "id": "CID:5245", "label": "risedronic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5245", "FDA_Category_D_L1000_Similarity": -0.615613, "FDA_Category_D_Structural_Similarity": 4.51207, "FDA_Category_D_Weighted_Contribution": 3.66091, "FDA_Category_D_Top_Rank": 0.808355, "FDA_Category_X_L1000_Similarity": -0.214892, "FDA_Category_X_Structural_Similarity": -0.664574, "FDA_Category_X_Weighted_Contribution": -0.771602, "FDA_Category_X_Top_Rank": -0.0888808, "FDA_Category_D_and_X_L1000_Similarity": -0.595923, "FDA_Category_D_and_X_Structural_Similarity": 3.22269, "FDA_Category_D_and_X_Weighted_Contribution": 2.73965, "FDA_Category_D_and_X_Top_Rank": 0.279746, "Placenta_Crossing_L1000_Similarity": -1.03349, "Placenta_Crossing_Structural_Similarity": 0.0934054, "Placenta_Crossing_Weighted_Contribution": -0.497936, "Placenta_Crossing_Top_Rank": -0.0802406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "IIDJRNMFWXDHID-UHFFFAOYSA-N" } }, "CID:5253": { "type": "Drug", "properties": { "id": "CID:5253", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5253", "label": "sotalol", "FDA_Category_D_L1000_Similarity": 0.886928, "FDA_Category_D_Structural_Similarity": 0.108484, "FDA_Category_D_Weighted_Contribution": 0.504109, "FDA_Category_D_Top_Rank": -0.072142, "FDA_Category_X_L1000_Similarity": 0.69063, "FDA_Category_X_Structural_Similarity": 0.141163, "FDA_Category_X_Weighted_Contribution": 0.367725, "FDA_Category_X_Top_Rank": -0.0756875, "FDA_Category_D_and_X_L1000_Similarity": 0.974283, "FDA_Category_D_and_X_Structural_Similarity": 0.162276, "FDA_Category_D_and_X_Weighted_Contribution": 0.551623, "FDA_Category_D_and_X_Top_Rank": -0.0705666, "Placenta_Crossing_L1000_Similarity": 1.05309, "Placenta_Crossing_Structural_Similarity": 3.64598, "Placenta_Crossing_Weighted_Contribution": 3.61431, "Placenta_Crossing_Top_Rank": 0.393926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O", "InChI_key": "ZBMZVLHSJCTVON-UHFFFAOYSA-N" } }, "CID:5280567": { "type": "Drug", "properties": { "id": "CID:5280567", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280567", "label": "hymecromone", "FDA_Category_D_L1000_Similarity": 1.43536, "FDA_Category_D_Structural_Similarity": -0.476492, "FDA_Category_D_Weighted_Contribution": 0.234889, "FDA_Category_D_Top_Rank": -0.0197881, "FDA_Category_X_L1000_Similarity": 0.592898, "FDA_Category_X_Structural_Similarity": -0.199175, "FDA_Category_X_Weighted_Contribution": -0.0284919, "FDA_Category_X_Top_Rank": -0.0811, "FDA_Category_D_and_X_L1000_Similarity": 1.41735, "FDA_Category_D_and_X_Structural_Similarity": -0.485672, "FDA_Category_D_and_X_Weighted_Contribution": 0.153029, "FDA_Category_D_and_X_Top_Rank": -0.0344429, "Placenta_Crossing_L1000_Similarity": 1.082, "Placenta_Crossing_Structural_Similarity": -0.422332, "Placenta_Crossing_Weighted_Contribution": -0.0188408, "Placenta_Crossing_Top_Rank": -0.0671887, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)OC2=C1C=CC(=C2)O", "InChI_key": "HSHNITRMYYLLCV-UHFFFAOYSA-N" } }, "CID:5280569": { "type": "Drug", "properties": { "id": "CID:5280569", "label": "daphnetin", "lsm": "LSM-3366", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280569", "FDA_Category_D_L1000_Similarity": 0.74306, "FDA_Category_D_Structural_Similarity": -0.562686, "FDA_Category_D_Weighted_Contribution": -0.228019, "FDA_Category_D_Top_Rank": -0.0780995, "FDA_Category_X_L1000_Similarity": 0.237996, "FDA_Category_X_Structural_Similarity": -0.443691, "FDA_Category_X_Weighted_Contribution": -0.415807, "FDA_Category_X_Top_Rank": -0.0855886, "FDA_Category_D_and_X_L1000_Similarity": 0.712798, "FDA_Category_D_and_X_Structural_Similarity": -0.686025, "FDA_Category_D_and_X_Weighted_Contribution": -0.378303, "FDA_Category_D_and_X_Top_Rank": -0.0808824, "Placenta_Crossing_L1000_Similarity": 1.06599, "Placenta_Crossing_Structural_Similarity": 0.944778, "Placenta_Crossing_Weighted_Contribution": 1.38775, "Placenta_Crossing_Top_Rank": -0.0527087, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C2=C1C=CC(=O)O2)O)O", "InChI_key": "ATEFPOUAMCWAQS-UHFFFAOYSA-N" } }, "CID:5281037": { "type": "Drug", "properties": { "id": "CID:5281037", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281037", "label": "eprosartan", "FDA_Category_D_L1000_Similarity": 0.689093, "FDA_Category_D_Structural_Similarity": 1.2944, "FDA_Category_D_Weighted_Contribution": 1.66142, "FDA_Category_D_Top_Rank": -0.034607, "FDA_Category_X_L1000_Similarity": 0.330255, "FDA_Category_X_Structural_Similarity": 0.119515, "FDA_Category_X_Weighted_Contribution": 0.157932, "FDA_Category_X_Top_Rank": -0.076448, "FDA_Category_D_and_X_L1000_Similarity": 0.694299, "FDA_Category_D_and_X_Structural_Similarity": 1.09187, "FDA_Category_D_and_X_Weighted_Contribution": 1.37075, "FDA_Category_D_and_X_Top_Rank": -0.0468057, "Placenta_Crossing_L1000_Similarity": 1.24793, "Placenta_Crossing_Structural_Similarity": 0.157985, "Placenta_Crossing_Weighted_Contribution": 0.642564, "Placenta_Crossing_Top_Rank": -0.0592302, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O", "InChI_key": "OROAFUQRIXKEMV-LDADJPATSA-N" } }, "CID:5281727": { "type": "Drug", "properties": { "id": "CID:5281727", "label": "pterostilbene", "lsm": "LSM-5973", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281727", "FDA_Category_D_L1000_Similarity": -1.51852, "FDA_Category_D_Structural_Similarity": 0.552704, "FDA_Category_D_Weighted_Contribution": -0.406614, "FDA_Category_D_Top_Rank": -0.0692733, "FDA_Category_X_L1000_Similarity": -1.62156, "FDA_Category_X_Structural_Similarity": 1.01368, "FDA_Category_X_Weighted_Contribution": 0.0747476, "FDA_Category_X_Top_Rank": -0.0403103, "FDA_Category_D_and_X_L1000_Similarity": -1.80143, "FDA_Category_D_and_X_Structural_Similarity": 0.985667, "FDA_Category_D_and_X_Weighted_Contribution": -0.154744, "FDA_Category_D_and_X_Top_Rank": -0.0540095, "Placenta_Crossing_L1000_Similarity": -0.809465, "Placenta_Crossing_Structural_Similarity": 0.65499, "Placenta_Crossing_Weighted_Contribution": 0.0921353, "Placenta_Crossing_Top_Rank": -0.064673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC", "InChI_key": "VLEUZFDZJKSGMX-ONEGZZNKSA-N" } }, "CID:5281743": { "type": "Drug", "properties": { "id": "CID:5281743", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281743", "label": "Retrorsine", "FDA_Category_D_L1000_Similarity": 0.00682553, "FDA_Category_D_Structural_Similarity": 0.328564, "FDA_Category_D_Weighted_Contribution": 0.203638, "FDA_Category_D_Top_Rank": -0.0764229, "FDA_Category_X_L1000_Similarity": 0.497281, "FDA_Category_X_Structural_Similarity": -0.269231, "FDA_Category_X_Weighted_Contribution": -0.141455, "FDA_Category_X_Top_Rank": -0.0825483, "FDA_Category_D_and_X_L1000_Similarity": 0.156899, "FDA_Category_D_and_X_Structural_Similarity": 0.115509, "FDA_Category_D_and_X_Weighted_Contribution": 0.0529364, "FDA_Category_D_and_X_Top_Rank": -0.0836711, "Placenta_Crossing_L1000_Similarity": 0.220957, "Placenta_Crossing_Structural_Similarity": -0.392393, "Placenta_Crossing_Weighted_Contribution": -0.376493, "Placenta_Crossing_Top_Rank": -0.0864333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5281855": { "type": "Drug", "properties": { "id": "CID:5281855", "label": "ellagic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281855", "FDA_Category_D_L1000_Similarity": 1.64194, "FDA_Category_D_Structural_Similarity": -0.357912, "FDA_Category_D_Weighted_Contribution": 0.478844, "FDA_Category_D_Top_Rank": 0.0250462, "FDA_Category_X_L1000_Similarity": 2.16256, "FDA_Category_X_Structural_Similarity": -0.752881, "FDA_Category_X_Weighted_Contribution": 0.203414, "FDA_Category_X_Top_Rank": 0.0427969, "FDA_Category_D_and_X_L1000_Similarity": 2.0721, "FDA_Category_D_and_X_Structural_Similarity": -0.690331, "FDA_Category_D_and_X_Weighted_Contribution": 0.31164, "FDA_Category_D_and_X_Top_Rank": 0.130365, "Placenta_Crossing_L1000_Similarity": 2.61011, "Placenta_Crossing_Structural_Similarity": 0.595664, "Placenta_Crossing_Weighted_Contribution": 1.84886, "Placenta_Crossing_Top_Rank": 0.352905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O", "InChI_key": "AFSDNFLWKVMVRB-UHFFFAOYSA-N" } }, "CID:5281881": { "type": "Drug", "properties": { "id": "CID:5281881", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281881", "label": "flupentixol", "FDA_Category_D_L1000_Similarity": -1.72417, "FDA_Category_D_Structural_Similarity": -0.143924, "FDA_Category_D_Weighted_Contribution": -0.989511, "FDA_Category_D_Top_Rank": -0.088434, "FDA_Category_X_L1000_Similarity": -0.00650217, "FDA_Category_X_Structural_Similarity": -0.37968, "FDA_Category_X_Weighted_Contribution": -0.465471, "FDA_Category_X_Top_Rank": -0.087637, "FDA_Category_D_and_X_L1000_Similarity": -1.48823, "FDA_Category_D_and_X_Structural_Similarity": -0.319108, "FDA_Category_D_and_X_Weighted_Contribution": -0.985996, "FDA_Category_D_and_X_Top_Rank": -0.0919627, "Placenta_Crossing_L1000_Similarity": -2.17465, "Placenta_Crossing_Structural_Similarity": -0.689936, "Placenta_Crossing_Weighted_Contribution": -1.31919, "Placenta_Crossing_Top_Rank": -0.0911938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO", "InChI_key": "NJMYODHXAKYRHW-DVZOWYKESA-N" } }, "CID:5282230": { "type": "Drug", "properties": { "id": "CID:5282230", "label": "tranilast", "lsm": "LSM-2388", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282230", "FDA_Category_D_L1000_Similarity": 0.967792, "FDA_Category_D_Structural_Similarity": 0.40123, "FDA_Category_D_Weighted_Contribution": 0.866109, "FDA_Category_D_Top_Rank": -0.0670161, "FDA_Category_X_L1000_Similarity": 0.174094, "FDA_Category_X_Structural_Similarity": -0.368813, "FDA_Category_X_Weighted_Contribution": -0.378667, "FDA_Category_X_Top_Rank": -0.0861829, "FDA_Category_D_and_X_L1000_Similarity": 0.887124, "FDA_Category_D_and_X_Structural_Similarity": 0.119452, "FDA_Category_D_and_X_Weighted_Contribution": 0.457824, "FDA_Category_D_and_X_Top_Rank": -0.0746743, "Placenta_Crossing_L1000_Similarity": 1.47853, "Placenta_Crossing_Structural_Similarity": -0.653635, "Placenta_Crossing_Weighted_Contribution": -0.0467374, "Placenta_Crossing_Top_Rank": -0.0419808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC", "InChI_key": "NZHGWWWHIYHZNX-CSKARUKUSA-N" } }, "CID:5282381": { "type": "Drug", "properties": { "id": "CID:5282381", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282381", "label": "misoprostol", "FDA_Category_D_L1000_Similarity": 0.447032, "FDA_Category_D_Structural_Similarity": 0.460237, "FDA_Category_D_Weighted_Contribution": 0.602922, "FDA_Category_D_Top_Rank": -0.0725056, "FDA_Category_X_L1000_Similarity": -0.766057, "FDA_Category_X_Structural_Similarity": -0.461306, "FDA_Category_X_Weighted_Contribution": -0.823785, "FDA_Category_X_Top_Rank": -0.0892347, "FDA_Category_D_and_X_L1000_Similarity": 0.152711, "FDA_Category_D_and_X_Structural_Similarity": 0.116377, "FDA_Category_D_and_X_Weighted_Contribution": 0.0515477, "FDA_Category_D_and_X_Top_Rank": -0.0836318, "Placenta_Crossing_L1000_Similarity": 0.316514, "Placenta_Crossing_Structural_Similarity": 0.836729, "Placenta_Crossing_Weighted_Contribution": 0.861202, "Placenta_Crossing_Top_Rank": -0.0580675, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O", "InChI_key": "OJLOPKGSLYJEMD-URPKTTJQSA-N" } }, "CID:5282459": { "type": "Drug", "properties": { "id": "CID:5282459", "label": "cinepazide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282459", "FDA_Category_D_L1000_Similarity": 0.552608, "FDA_Category_D_Structural_Similarity": 0.556654, "FDA_Category_D_Weighted_Contribution": 0.771542, "FDA_Category_D_Top_Rank": -0.0691531, "FDA_Category_X_L1000_Similarity": 0.0594241, "FDA_Category_X_Structural_Similarity": -0.533907, "FDA_Category_X_Weighted_Contribution": -0.565559, "FDA_Category_X_Top_Rank": -0.0871596, "FDA_Category_D_and_X_L1000_Similarity": 0.494402, "FDA_Category_D_and_X_Structural_Similarity": 0.15373, "FDA_Category_D_and_X_Weighted_Contribution": 0.271761, "FDA_Category_D_and_X_Top_Rank": -0.0827611, "Placenta_Crossing_L1000_Similarity": -0.0934296, "Placenta_Crossing_Structural_Similarity": -0.501717, "Placenta_Crossing_Weighted_Contribution": -0.588952, "Placenta_Crossing_Top_Rank": -0.0889465, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3", "InChI_key": "RCUDFXMNPQNBDU-VOTSOKGWSA-N" } }, "CID:5284513": { "type": "Drug", "properties": { "id": "CID:5284513", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284513", "label": "acitretin", "FDA_Category_D_L1000_Similarity": 2.13599, "FDA_Category_D_Structural_Similarity": 1.25307, "FDA_Category_D_Weighted_Contribution": 2.47997, "FDA_Category_D_Top_Rank": 0.325403, "FDA_Category_X_L1000_Similarity": 0.785875, "FDA_Category_X_Structural_Similarity": -0.200285, "FDA_Category_X_Weighted_Contribution": 0.065502, "FDA_Category_X_Top_Rank": -0.0772298, "FDA_Category_D_and_X_L1000_Similarity": 2.07991, "FDA_Category_D_and_X_Structural_Similarity": 0.886503, "FDA_Category_D_and_X_Weighted_Contribution": 1.96744, "FDA_Category_D_and_X_Top_Rank": 0.135207, "Placenta_Crossing_L1000_Similarity": 1.38111, "Placenta_Crossing_Structural_Similarity": -0.108065, "Placenta_Crossing_Weighted_Contribution": 0.436924, "Placenta_Crossing_Top_Rank": -0.050066, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC", "InChI_key": "IHUNBGSDBOWDMA-AQFIFDHZSA-N" } }, "CID:5284550": { "type": "Drug", "properties": { "id": "CID:5284550", "label": "dosulepin", "lsm": "LSM-3221", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5284550", "IDG_ID": "951", "FDA_Category_D_L1000_Similarity": 1.80133, "FDA_Category_D_Structural_Similarity": 0.151896, "FDA_Category_D_Weighted_Contribution": 1.12617, "FDA_Category_D_Top_Rank": 0.0757583, "FDA_Category_X_L1000_Similarity": 1.90831, "FDA_Category_X_Structural_Similarity": -0.629116, "FDA_Category_X_Weighted_Contribution": 0.199861, "FDA_Category_X_Top_Rank": -0.00387812, "FDA_Category_D_and_X_L1000_Similarity": 2.1323, "FDA_Category_D_and_X_Structural_Similarity": -0.218906, "FDA_Category_D_and_X_Weighted_Contribution": 0.831695, "FDA_Category_D_and_X_Top_Rank": 0.165267, "Placenta_Crossing_L1000_Similarity": 1.71458, "Placenta_Crossing_Structural_Similarity": -1.03294, "Placenta_Crossing_Weighted_Contribution": -0.277806, "Placenta_Crossing_Top_Rank": -0.0135878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31", "InChI_key": "PHTUQLWOUWZIMZ-GZTJUZNOSA-N" } }, "CID:5284585": { "type": "Drug", "properties": { "id": "CID:5284585", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284585", "label": "loracarbef", "FDA_Category_D_L1000_Similarity": 0.563496, "FDA_Category_D_Structural_Similarity": 0.52945, "FDA_Category_D_Weighted_Contribution": 0.749188, "FDA_Category_D_Top_Rank": -0.0699962, "FDA_Category_X_L1000_Similarity": 0.431581, "FDA_Category_X_Structural_Similarity": -0.140785, "FDA_Category_X_Weighted_Contribution": -0.0501602, "FDA_Category_X_Top_Rank": -0.0831829, "FDA_Category_D_and_X_L1000_Similarity": 0.616804, "FDA_Category_D_and_X_Structural_Similarity": 0.344265, "FDA_Category_D_and_X_Weighted_Contribution": 0.5327, "FDA_Category_D_and_X_Top_Rank": -0.0784738, "Placenta_Crossing_L1000_Similarity": 0.640951, "Placenta_Crossing_Structural_Similarity": 2.83394, "Placenta_Crossing_Weighted_Contribution": 2.98071, "Placenta_Crossing_Top_Rank": 0.155889, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl", "InChI_key": "JAPHQRWPEGVNBT-UTUOFQBUSA-N" } }, "CID:5288320": { "type": "Drug", "properties": { "id": "CID:5288320", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5288320", "label": "topiroxostat", "FDA_Category_D_L1000_Similarity": 0.235366, "FDA_Category_D_Structural_Similarity": -0.169909, "FDA_Category_D_Weighted_Contribution": -0.14262, "FDA_Category_D_Top_Rank": -0.0888861, "FDA_Category_X_L1000_Similarity": 1.38823, "FDA_Category_X_Structural_Similarity": -0.626048, "FDA_Category_X_Weighted_Contribution": -0.056495, "FDA_Category_X_Top_Rank": -0.05401, "FDA_Category_D_and_X_L1000_Similarity": 0.624461, "FDA_Category_D_and_X_Structural_Similarity": -0.472672, "FDA_Category_D_and_X_Weighted_Contribution": -0.240723, "FDA_Category_D_and_X_Top_Rank": -0.0829527, "Placenta_Crossing_L1000_Similarity": 0.677288, "Placenta_Crossing_Structural_Similarity": -0.501453, "Placenta_Crossing_Weighted_Contribution": -0.273291, "Placenta_Crossing_Top_Rank": -0.0794329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N", "InChI_key": "UBVZQGOVTLIHLH-UHFFFAOYSA-N" } }, "CID:5289501": { "type": "Drug", "properties": { "id": "CID:5289501", "label": "arotinoid acid", "lsm": "LSM-3525", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5289501", "FDA_Category_D_L1000_Similarity": -0.69648, "FDA_Category_D_Structural_Similarity": 1.01632, "FDA_Category_D_Weighted_Contribution": 0.483931, "FDA_Category_D_Top_Rank": -0.0496645, "FDA_Category_X_L1000_Similarity": 0.412865, "FDA_Category_X_Structural_Similarity": 0.570764, "FDA_Category_X_Weighted_Contribution": 0.682666, "FDA_Category_X_Top_Rank": -0.0589462, "FDA_Category_D_and_X_L1000_Similarity": -0.475002, "FDA_Category_D_and_X_Structural_Similarity": 1.11465, "FDA_Category_D_and_X_Weighted_Contribution": 0.696944, "FDA_Category_D_and_X_Top_Rank": -0.0450447, "Placenta_Crossing_L1000_Similarity": -0.199214, "Placenta_Crossing_Structural_Similarity": 0.105296, "Placenta_Crossing_Weighted_Contribution": -0.130725, "Placenta_Crossing_Top_Rank": -0.0798645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C", "InChI_key": "FOIVPCKZDPCJJY-JQIJEIRASA-N" } }, "CID:5311100": { "type": "Drug", "properties": { "id": "CID:5311100", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311100", "label": "fluprostenol", "FDA_Category_D_L1000_Similarity": 1.01663, "FDA_Category_D_Structural_Similarity": -0.625788, "FDA_Category_D_Weighted_Contribution": -0.141153, "FDA_Category_D_Top_Rank": -0.064358, "FDA_Category_X_L1000_Similarity": 1.42747, "FDA_Category_X_Structural_Similarity": 2.95723, "FDA_Category_X_Weighted_Contribution": 3.53914, "FDA_Category_X_Top_Rank": 0.211707, "FDA_Category_D_and_X_L1000_Similarity": 1.30985, "FDA_Category_D_and_X_Structural_Similarity": 1.09902, "FDA_Category_D_and_X_Weighted_Contribution": 1.74276, "FDA_Category_D_and_X_Top_Rank": -0.0459672, "Placenta_Crossing_L1000_Similarity": 1.13997, "Placenta_Crossing_Structural_Similarity": -0.443621, "Placenta_Crossing_Weighted_Contribution": -0.0112914, "Placenta_Crossing_Top_Rank": -0.0649015, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(C(C1O)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O", "InChI_key": "WWSWYXNVCBLWNZ-QIZQQNKQSA-N" } }, "CID:5311181": { "type": "Drug", "properties": { "id": "CID:5311181", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311181", "label": "iloprost", "FDA_Category_D_L1000_Similarity": 0.788061, "FDA_Category_D_Structural_Similarity": -0.929564, "FDA_Category_D_Weighted_Contribution": -0.513011, "FDA_Category_D_Top_Rank": -0.0765096, "FDA_Category_X_L1000_Similarity": 0.641142, "FDA_Category_X_Structural_Similarity": -0.619507, "FDA_Category_X_Weighted_Contribution": -0.393429, "FDA_Category_X_Top_Rank": -0.0803722, "FDA_Category_D_and_X_L1000_Similarity": 0.87403, "FDA_Category_D_and_X_Structural_Similarity": -1.07209, "FDA_Category_D_and_X_Weighted_Contribution": -0.60855, "FDA_Category_D_and_X_Top_Rank": -0.0751836, "Placenta_Crossing_L1000_Similarity": 1.04749, "Placenta_Crossing_Structural_Similarity": -0.810362, "Placenta_Crossing_Weighted_Contribution": -0.375388, "Placenta_Crossing_Top_Rank": -0.0686885, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O", "InChI_key": "HIFJCPQKFCZDDL-ACWOEMLNSA-N" } }, "CID:5311276": { "type": "Drug", "properties": { "id": "CID:5311276", "label": "l-168049", "lsm": "LSM-2394", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311276", "FDA_Category_D_L1000_Similarity": -1.14238, "FDA_Category_D_Structural_Similarity": -0.915371, "FDA_Category_D_Weighted_Contribution": -1.22414, "FDA_Category_D_Top_Rank": -0.096473, "FDA_Category_X_L1000_Similarity": 0.400683, "FDA_Category_X_Structural_Similarity": -0.681565, "FDA_Category_X_Weighted_Contribution": -0.546808, "FDA_Category_X_Top_Rank": -0.0837749, "FDA_Category_D_and_X_L1000_Similarity": -0.86307, "FDA_Category_D_and_X_Structural_Similarity": -1.09431, "FDA_Category_D_and_X_Weighted_Contribution": -1.21118, "FDA_Category_D_and_X_Top_Rank": -0.0960142, "Placenta_Crossing_L1000_Similarity": -1.03526, "Placenta_Crossing_Structural_Similarity": -0.767634, "Placenta_Crossing_Weighted_Contribution": -1.07366, "Placenta_Crossing_Top_Rank": -0.0915921, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC1=C(C=C(C=C1)Br)C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4", "InChI_key": "HHBOWXZOLYQFNY-UHFFFAOYSA-N" } }, "CID:5311340": { "type": "Drug", "properties": { "id": "CID:5311340", "label": "jtc-801", "lsm": "LSM-2382", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311340", "FDA_Category_D_L1000_Similarity": -0.779618, "FDA_Category_D_Structural_Similarity": 0.820488, "FDA_Category_D_Weighted_Contribution": 0.234815, "FDA_Category_D_Top_Rank": -0.0597275, "FDA_Category_X_L1000_Similarity": -0.383157, "FDA_Category_X_Structural_Similarity": -0.143102, "FDA_Category_X_Weighted_Contribution": -0.424594, "FDA_Category_X_Top_Rank": -0.0832392, "FDA_Category_D_and_X_L1000_Similarity": -0.788396, "FDA_Category_D_and_X_Structural_Similarity": 0.574015, "FDA_Category_D_and_X_Weighted_Contribution": -0.0134969, "FDA_Category_D_and_X_Top_Rank": -0.0718035, "Placenta_Crossing_L1000_Similarity": -1.4007, "Placenta_Crossing_Structural_Similarity": 1.58452, "Placenta_Crossing_Weighted_Contribution": 0.729909, "Placenta_Crossing_Top_Rank": -0.0142457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N", "InChI_key": "VTGBZWHPJFMTKS-UHFFFAOYSA-N" } }, "CID:5311454": { "type": "Drug", "properties": { "id": "CID:5311454", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311454", "label": "stiripentol", "FDA_Category_D_L1000_Similarity": 0.680664, "FDA_Category_D_Structural_Similarity": -0.473496, "FDA_Category_D_Weighted_Contribution": -0.181212, "FDA_Category_D_Top_Rank": -0.0803173, "FDA_Category_X_L1000_Similarity": 1.9713, "FDA_Category_X_Structural_Similarity": 0.554097, "FDA_Category_X_Weighted_Contribution": 1.54688, "FDA_Category_X_Top_Rank": 0.00747043, "FDA_Category_D_and_X_L1000_Similarity": 1.18539, "FDA_Category_D_and_X_Structural_Similarity": -0.076832, "FDA_Category_D_and_X_Weighted_Contribution": 0.428331, "FDA_Category_D_and_X_Top_Rank": -0.0557852, "Placenta_Crossing_L1000_Similarity": 1.27415, "Placenta_Crossing_Structural_Similarity": 0.529571, "Placenta_Crossing_Weighted_Contribution": 1.05324, "Placenta_Crossing_Top_Rank": -0.0574289, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O", "InChI_key": "IBLNKMRFIPWSOY-FNORWQNLSA-N" } }, "CID:5312137": { "type": "Drug", "properties": { "id": "CID:5312137", "label": "(3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide", "lsm": "LSM-1219", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312137", "FDA_Category_D_L1000_Similarity": -0.020149, "FDA_Category_D_Structural_Similarity": 0.0497899, "FDA_Category_D_Weighted_Contribution": -0.0784909, "FDA_Category_D_Top_Rank": -0.0839264, "FDA_Category_X_L1000_Similarity": 0.19951, "FDA_Category_X_Structural_Similarity": -0.199914, "FDA_Category_X_Weighted_Contribution": -0.215759, "FDA_Category_X_Top_Rank": -0.0845871, "FDA_Category_D_and_X_L1000_Similarity": 0.0432202, "FDA_Category_D_and_X_Structural_Similarity": -0.0683539, "FDA_Category_D_and_X_Weighted_Contribution": -0.172377, "FDA_Category_D_and_X_Top_Rank": -0.0876741, "Placenta_Crossing_L1000_Similarity": 0.741926, "Placenta_Crossing_Structural_Similarity": -0.950289, "Placenta_Crossing_Weighted_Contribution": -0.607549, "Placenta_Crossing_Top_Rank": -0.077862, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C2=CC3=CC4=C(N3)CCCC4", "InChI_key": "LOGJQOUIVKBFGH-YBEGLDIGSA-N" } }, "CID:5312557": { "type": "Drug", "properties": { "id": "CID:5312557", "label": "docosatrienoic-acid", "lsm": "LSM-2006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312557", "FDA_Category_D_L1000_Similarity": 0.995758, "FDA_Category_D_Structural_Similarity": -0.897882, "FDA_Category_D_Weighted_Contribution": -0.388579, "FDA_Category_D_Top_Rank": -0.0655507, "FDA_Category_X_L1000_Similarity": -0.0264534, "FDA_Category_X_Structural_Similarity": -0.60661, "FDA_Category_X_Weighted_Contribution": -0.657082, "FDA_Category_X_Top_Rank": -0.0877613, "FDA_Category_D_and_X_L1000_Similarity": 0.850332, "FDA_Category_D_and_X_Structural_Similarity": -1.03998, "FDA_Category_D_and_X_Weighted_Contribution": -0.594601, "FDA_Category_D_and_X_Top_Rank": -0.0759845, "Placenta_Crossing_L1000_Similarity": 0.945707, "Placenta_Crossing_Structural_Similarity": -0.95007, "Placenta_Crossing_Weighted_Contribution": -0.528707, "Placenta_Crossing_Top_Rank": -0.0723247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O", "InChI_key": "WBBQTNCISCKUMU-PDBXOOCHSA-N" } }, "CID:5318562": { "type": "Drug", "properties": { "id": "CID:5318562", "label": "isoeugenol", "lsm": "LSM-2102", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5318562", "FDA_Category_D_L1000_Similarity": -0.0285715, "FDA_Category_D_Structural_Similarity": -0.467445, "FDA_Category_D_Weighted_Contribution": -0.525695, "FDA_Category_D_Top_Rank": -0.0924342, "FDA_Category_X_L1000_Similarity": 1.28231, "FDA_Category_X_Structural_Similarity": -0.397907, "FDA_Category_X_Weighted_Contribution": 0.116407, "FDA_Category_X_Top_Rank": -0.060328, "FDA_Category_D_and_X_L1000_Similarity": 0.364785, "FDA_Category_D_and_X_Structural_Similarity": -0.585726, "FDA_Category_D_and_X_Weighted_Contribution": -0.454678, "FDA_Category_D_and_X_Top_Rank": -0.0880121, "Placenta_Crossing_L1000_Similarity": 0.569848, "Placenta_Crossing_Structural_Similarity": -0.450812, "Placenta_Crossing_Weighted_Contribution": -0.276607, "Placenta_Crossing_Top_Rank": -0.0817061, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O", "InChI_key": "XSSGQRFNGHRFBC-UHFFFAOYSA-N" } }, "CID:5324": { "type": "Drug", "properties": { "id": "CID:5324", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5324", "label": "sulfaguanidine", "FDA_Category_D_L1000_Similarity": 0.526517, "FDA_Category_D_Structural_Similarity": -0.631614, "FDA_Category_D_Weighted_Contribution": -0.395657, "FDA_Category_D_Top_Rank": -0.0846257, "FDA_Category_X_L1000_Similarity": 0.355053, "FDA_Category_X_Structural_Similarity": -0.764243, "FDA_Category_X_Weighted_Contribution": -0.631155, "FDA_Category_X_Top_Rank": -0.0843349, "FDA_Category_D_and_X_L1000_Similarity": 0.561687, "FDA_Category_D_and_X_Structural_Similarity": -0.913703, "FDA_Category_D_and_X_Weighted_Contribution": -0.620847, "FDA_Category_D_and_X_Top_Rank": -0.0844128, "Placenta_Crossing_L1000_Similarity": 1.01675, "Placenta_Crossing_Structural_Similarity": -0.230214, "Placenta_Crossing_Weighted_Contribution": 0.131724, "Placenta_Crossing_Top_Rank": -0.0698871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N", "InChI_key": "BRBKOPJOKNSWSG-UHFFFAOYSA-N" } }, "CID:5325": { "type": "Drug", "properties": { "id": "CID:5325", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5325", "label": "sulfamerazine", "FDA_Category_D_L1000_Similarity": 0.0795357, "FDA_Category_D_Structural_Similarity": -0.631211, "FDA_Category_D_Weighted_Contribution": -0.603263, "FDA_Category_D_Top_Rank": -0.0914932, "FDA_Category_X_L1000_Similarity": -0.706602, "FDA_Category_X_Structural_Similarity": -0.609499, "FDA_Category_X_Weighted_Contribution": -0.905715, "FDA_Category_X_Top_Rank": -0.0906666, "FDA_Category_D_and_X_L1000_Similarity": -0.146017, "FDA_Category_D_and_X_Structural_Similarity": -0.829884, "FDA_Category_D_and_X_Weighted_Contribution": -0.837118, "FDA_Category_D_and_X_Top_Rank": -0.0933095, "Placenta_Crossing_L1000_Similarity": -0.102276, "Placenta_Crossing_Structural_Similarity": 1.53069, "Placenta_Crossing_Weighted_Contribution": 1.38046, "Placenta_Crossing_Top_Rank": -0.0172666, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "QPPBRPIAZZHUNT-UHFFFAOYSA-N" } }, "CID:5327": { "type": "Drug", "properties": { "id": "CID:5327", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5327", "label": "sulfamethazine", "FDA_Category_D_L1000_Similarity": 0.818217, "FDA_Category_D_Structural_Similarity": -0.708113, "FDA_Category_D_Weighted_Contribution": -0.316148, "FDA_Category_D_Top_Rank": -0.0750241, "FDA_Category_X_L1000_Similarity": 1.9901, "FDA_Category_X_Structural_Similarity": -0.64578, "FDA_Category_X_Weighted_Contribution": 0.224827, "FDA_Category_X_Top_Rank": 0.00913733, "FDA_Category_D_and_X_L1000_Similarity": 1.30968, "FDA_Category_D_and_X_Structural_Similarity": -0.910499, "FDA_Category_D_and_X_Weighted_Contribution": -0.286597, "FDA_Category_D_and_X_Top_Rank": -0.0460239, "Placenta_Crossing_L1000_Similarity": 0.60892, "Placenta_Crossing_Structural_Similarity": -0.0365606, "Placenta_Crossing_Weighted_Contribution": 0.118977, "Placenta_Crossing_Top_Rank": -0.0808308, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C", "InChI_key": "ASWVTGNCAZCNNR-UHFFFAOYSA-N" } }, "CID:5328": { "type": "Drug", "properties": { "id": "CID:5328", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5328", "label": "sulfamethizole", "FDA_Category_D_L1000_Similarity": 0.154663, "FDA_Category_D_Structural_Similarity": -0.0178405, "FDA_Category_D_Weighted_Contribution": -0.0462566, "FDA_Category_D_Top_Rank": -0.0855708, "FDA_Category_X_L1000_Similarity": -0.262555, "FDA_Category_X_Structural_Similarity": 1.02077, "FDA_Category_X_Weighted_Contribution": 0.807287, "FDA_Category_X_Top_Rank": -0.0399399, "FDA_Category_D_and_X_L1000_Similarity": 0.0535876, "FDA_Category_D_and_X_Structural_Similarity": 0.536642, "FDA_Category_D_and_X_Weighted_Contribution": 0.40714, "FDA_Category_D_and_X_Top_Rank": -0.072791, "Placenta_Crossing_L1000_Similarity": 0.720009, "Placenta_Crossing_Structural_Similarity": -0.0301677, "Placenta_Crossing_Weighted_Contribution": 0.179718, "Placenta_Crossing_Top_Rank": -0.0784261, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "VACCAVUAMIDAGB-UHFFFAOYSA-N" } }, "CID:5329255": { "type": "Drug", "properties": { "id": "CID:5329255", "label": "bis-tyrphostin", "lsm": "LSM-2718", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5329255", "FDA_Category_D_L1000_Similarity": -0.033502, "FDA_Category_D_Structural_Similarity": -0.232382, "FDA_Category_D_Weighted_Contribution": -0.335776, "FDA_Category_D_Top_Rank": -0.0901428, "FDA_Category_X_L1000_Similarity": 0.00237514, "FDA_Category_X_Structural_Similarity": 0.00593372, "FDA_Category_X_Weighted_Contribution": -0.115415, "FDA_Category_X_Top_Rank": -0.079616, "FDA_Category_D_and_X_L1000_Similarity": -0.0281508, "FDA_Category_D_and_X_Structural_Similarity": -0.181243, "FDA_Category_D_and_X_Weighted_Contribution": -0.304065, "FDA_Category_D_and_X_Top_Rank": -0.0899189, "Placenta_Crossing_L1000_Similarity": 0.239434, "Placenta_Crossing_Structural_Similarity": -0.621582, "Placenta_Crossing_Weighted_Contribution": -0.551695, "Placenta_Crossing_Top_Rank": -0.0862878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=C(C#N)C(=O)NCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)O)O", "InChI_key": "ZHOKHSGWBNPFQU-GONBZBRSSA-N" } }, "CID:5332": { "type": "Drug", "properties": { "id": "CID:5332", "label": "sulfamonomethoxine", "lsm": "LSM-5320", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5332", "FDA_Category_D_L1000_Similarity": 0.206213, "FDA_Category_D_Structural_Similarity": 1.09626, "FDA_Category_D_Weighted_Contribution": 1.13742, "FDA_Category_D_Top_Rank": -0.0457079, "FDA_Category_X_L1000_Similarity": 0.823372, "FDA_Category_X_Structural_Similarity": 2.64507, "FDA_Category_X_Weighted_Contribution": 3.0832, "FDA_Category_X_Top_Rank": 0.133628, "FDA_Category_D_and_X_L1000_Similarity": 0.427803, "FDA_Category_D_and_X_Structural_Similarity": 2.29738, "FDA_Category_D_and_X_Weighted_Contribution": 2.43439, "FDA_Category_D_and_X_Top_Rank": 0.0758302, "Placenta_Crossing_L1000_Similarity": 0.621184, "Placenta_Crossing_Structural_Similarity": 1.73294, "Placenta_Crossing_Weighted_Contribution": 1.98093, "Placenta_Crossing_Top_Rank": 0.00194754, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:53321987": { "type": "Drug", "properties": { "id": "CID:53321987", "label": "bafilomycin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53321987", "FDA_Category_D_L1000_Similarity": -0.926277, "FDA_Category_D_Structural_Similarity": 1.38125, "FDA_Category_D_Weighted_Contribution": 0.727134, "FDA_Category_D_Top_Rank": -0.0285554, "FDA_Category_X_L1000_Similarity": 1.50015, "FDA_Category_X_Structural_Similarity": 1.57464, "FDA_Category_X_Weighted_Contribution": 2.40194, "FDA_Category_X_Top_Rank": -0.00404117, "FDA_Category_D_and_X_L1000_Similarity": -0.342904, "FDA_Category_D_and_X_Structural_Similarity": 1.94599, "FDA_Category_D_and_X_Weighted_Contribution": 1.65972, "FDA_Category_D_and_X_Top_Rank": 0.0286504, "Placenta_Crossing_L1000_Similarity": -1.14612, "Placenta_Crossing_Structural_Similarity": 4.57615, "Placenta_Crossing_Weighted_Contribution": 3.51953, "Placenta_Crossing_Top_Rank": 0.709849, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5336": { "type": "Drug", "properties": { "id": "CID:5336", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5336", "label": "sulfapyridine", "FDA_Category_D_L1000_Similarity": 1.13591, "FDA_Category_D_Structural_Similarity": -0.119572, "FDA_Category_D_Weighted_Contribution": 0.418877, "FDA_Category_D_Top_Rank": -0.0549978, "FDA_Category_X_L1000_Similarity": 0.857946, "FDA_Category_X_Structural_Similarity": 0.00456512, "FDA_Category_X_Weighted_Contribution": 0.312003, "FDA_Category_X_Top_Rank": -0.0754563, "FDA_Category_D_and_X_L1000_Similarity": 1.23971, "FDA_Category_D_and_X_Structural_Similarity": -0.0924423, "FDA_Category_D_and_X_Weighted_Contribution": 0.443362, "FDA_Category_D_and_X_Top_Rank": -0.0521403, "Placenta_Crossing_L1000_Similarity": 1.52553, "Placenta_Crossing_Structural_Similarity": 1.78863, "Placenta_Crossing_Weighted_Contribution": 2.48029, "Placenta_Crossing_Top_Rank": 0.0101865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "GECHUMIMRBOMGK-UHFFFAOYSA-N" } }, "CID:5337997": { "type": "Drug", "properties": { "id": "CID:5337997", "label": "nifuroxazide", "lsm": "LSM-5405", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5337997", "FDA_Category_D_L1000_Similarity": -1.69617, "FDA_Category_D_Structural_Similarity": -0.320221, "FDA_Category_D_Weighted_Contribution": -1.08218, "FDA_Category_D_Top_Rank": -0.0917244, "FDA_Category_X_L1000_Similarity": -0.577505, "FDA_Category_X_Structural_Similarity": -0.700613, "FDA_Category_X_Weighted_Contribution": -0.923503, "FDA_Category_X_Top_Rank": -0.0902831, "FDA_Category_D_and_X_L1000_Similarity": -1.6375, "FDA_Category_D_and_X_Structural_Similarity": -0.632211, "FDA_Category_D_and_X_Weighted_Contribution": -1.19772, "FDA_Category_D_and_X_Top_Rank": -0.0950248, "Placenta_Crossing_L1000_Similarity": -2.14388, "Placenta_Crossing_Structural_Similarity": -0.508779, "Placenta_Crossing_Weighted_Contribution": -1.22977, "Placenta_Crossing_Top_Rank": -0.0897827, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O", "InChI_key": "YCWSUKQGVSGXJO-NTUHNPAUSA-N" } }, "CID:5338": { "type": "Drug", "properties": { "id": "CID:5338", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5338", "label": "sulfaquinoxaline", "FDA_Category_D_L1000_Similarity": -0.0467595, "FDA_Category_D_Structural_Similarity": -0.871194, "FDA_Category_D_Weighted_Contribution": -0.827487, "FDA_Category_D_Top_Rank": -0.0925951, "FDA_Category_X_L1000_Similarity": -0.589337, "FDA_Category_X_Structural_Similarity": -0.61908, "FDA_Category_X_Weighted_Contribution": -0.872242, "FDA_Category_X_Top_Rank": -0.0903232, "FDA_Category_D_and_X_L1000_Similarity": -0.219269, "FDA_Category_D_and_X_Structural_Similarity": -1.02553, "FDA_Category_D_and_X_Weighted_Contribution": -0.983121, "FDA_Category_D_and_X_Top_Rank": -0.0937611, "Placenta_Crossing_L1000_Similarity": 0.669478, "Placenta_Crossing_Structural_Similarity": -0.659519, "Placenta_Crossing_Weighted_Contribution": -0.40901, "Placenta_Crossing_Top_Rank": -0.0795768, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N", "InChI_key": "NHZLNPMOSADWGC-UHFFFAOYSA-N" } }, "CID:53387035": { "type": "Drug", "properties": { "id": "CID:53387035", "label": "pradigastat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53387035", "FDA_Category_D_L1000_Similarity": 1.4828, "FDA_Category_D_Structural_Similarity": -0.192245, "FDA_Category_D_Weighted_Contribution": 0.554539, "FDA_Category_D_Top_Rank": -0.0124149, "FDA_Category_X_L1000_Similarity": 0.446803, "FDA_Category_X_Structural_Similarity": 0.0940261, "FDA_Category_X_Weighted_Contribution": 0.191449, "FDA_Category_X_Top_Rank": -0.0773324, "FDA_Category_D_and_X_L1000_Similarity": 1.41388, "FDA_Category_D_and_X_Structural_Similarity": -0.101852, "FDA_Category_D_and_X_Weighted_Contribution": 0.533417, "FDA_Category_D_and_X_Top_Rank": -0.0348503, "Placenta_Crossing_L1000_Similarity": 1.19902, "Placenta_Crossing_Structural_Similarity": -0.298042, "Placenta_Crossing_Weighted_Contribution": 0.155547, "Placenta_Crossing_Top_Rank": -0.0619364, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "GXALXAKNHIROPE-QAQDUYKDSA-N" } }, "CID:5342": { "type": "Drug", "properties": { "id": "CID:5342", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5342", "label": "sulfinpyrazone", "FDA_Category_D_L1000_Similarity": 0.29969, "FDA_Category_D_Structural_Similarity": -0.841878, "FDA_Category_D_Weighted_Contribution": -0.664304, "FDA_Category_D_Top_Rank": -0.0888613, "FDA_Category_X_L1000_Similarity": -0.45374, "FDA_Category_X_Structural_Similarity": -0.581283, "FDA_Category_X_Weighted_Contribution": -0.797857, "FDA_Category_X_Top_Rank": -0.0898741, "FDA_Category_D_and_X_L1000_Similarity": 0.120541, "FDA_Category_D_and_X_Structural_Similarity": -0.981868, "FDA_Category_D_and_X_Weighted_Contribution": -0.838778, "FDA_Category_D_and_X_Top_Rank": -0.0911033, "Placenta_Crossing_L1000_Similarity": 1.25407, "Placenta_Crossing_Structural_Similarity": -0.483389, "Placenta_Crossing_Weighted_Contribution": 0.00560907, "Placenta_Crossing_Top_Rank": -0.0588021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4", "InChI_key": "MBGGBVCUIVRRBF-UHFFFAOYSA-N" } }, "CID:5353454": { "type": "Drug", "properties": { "id": "CID:5353454", "label": "bw-b70c", "lsm": "LSM-1650", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353454", "FDA_Category_D_L1000_Similarity": -1.83644, "FDA_Category_D_Structural_Similarity": -0.878162, "FDA_Category_D_Weighted_Contribution": -1.38935, "FDA_Category_D_Top_Rank": -0.096877, "FDA_Category_X_L1000_Similarity": 1.50615, "FDA_Category_X_Structural_Similarity": -0.709698, "FDA_Category_X_Weighted_Contribution": -0.0802135, "FDA_Category_X_Top_Rank": -0.0465945, "FDA_Category_D_and_X_L1000_Similarity": -1.12566, "FDA_Category_D_and_X_Structural_Similarity": -1.07996, "FDA_Category_D_and_X_Weighted_Contribution": -1.27262, "FDA_Category_D_and_X_Top_Rank": -0.0963696, "Placenta_Crossing_L1000_Similarity": -1.48758, "Placenta_Crossing_Structural_Similarity": -0.983305, "Placenta_Crossing_Weighted_Contribution": -1.295, "Placenta_Crossing_Top_Rank": -0.0921965, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C=CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O", "InChI_key": "UAIYNMRLUHHRMF-AATRIKPKSA-N" } }, "CID:5353623": { "type": "Drug", "properties": { "id": "CID:5353623", "label": "farnesylthioacetic-acid", "lsm": "LSM-3398", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353623", "FDA_Category_D_L1000_Similarity": 0.294544, "FDA_Category_D_Structural_Similarity": -0.88932, "FDA_Category_D_Weighted_Contribution": -0.701045, "FDA_Category_D_Top_Rank": -0.0889354, "FDA_Category_X_L1000_Similarity": 0.671704, "FDA_Category_X_Structural_Similarity": 1.93631, "FDA_Category_X_Weighted_Contribution": 2.34756, "FDA_Category_X_Top_Rank": 0.0332539, "FDA_Category_D_and_X_L1000_Similarity": 0.457886, "FDA_Category_D_and_X_Structural_Similarity": 0.338957, "FDA_Category_D_and_X_Weighted_Contribution": 0.436403, "FDA_Category_D_and_X_Top_Rank": -0.0785472, "Placenta_Crossing_L1000_Similarity": 0.478338, "Placenta_Crossing_Structural_Similarity": 0.095781, "Placenta_Crossing_Weighted_Contribution": 0.182981, "Placenta_Crossing_Top_Rank": -0.0801617, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCCC(=CCSCC(=O)O)C)C)C", "InChI_key": "GNWWFEVBHYESNK-XGGJEREUSA-N" } }, "CID:5354033": { "type": "Drug", "properties": { "id": "CID:5354033", "label": "u-0126", "lsm": "LSM-1220", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5354033", "FDA_Category_D_L1000_Similarity": -0.651667, "FDA_Category_D_Structural_Similarity": -0.619037, "FDA_Category_D_Weighted_Contribution": -0.894476, "FDA_Category_D_Top_Rank": -0.0952165, "FDA_Category_X_L1000_Similarity": -2.0389, "FDA_Category_X_Structural_Similarity": -0.683885, "FDA_Category_X_Weighted_Contribution": -1.33032, "FDA_Category_X_Top_Rank": -0.0918295, "FDA_Category_D_and_X_L1000_Similarity": -1.18092, "FDA_Category_D_and_X_Structural_Similarity": -0.860359, "FDA_Category_D_and_X_Weighted_Contribution": -1.18415, "FDA_Category_D_and_X_Top_Rank": -0.0962335, "Placenta_Crossing_L1000_Similarity": -0.967698, "Placenta_Crossing_Structural_Similarity": -1.05683, "Placenta_Crossing_Weighted_Contribution": -1.20628, "Placenta_Crossing_Top_Rank": -0.0917769, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N", "InChI_key": "DVEXZJFMOKTQEZ-MJZABRMRSA-N" } }, "CID:5362": { "type": "Drug", "properties": { "id": "CID:5362", "label": "suxibuzone", "lsm": "LSM-5851", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5362", "FDA_Category_D_L1000_Similarity": 0.125003, "FDA_Category_D_Structural_Similarity": 2.65874, "FDA_Category_D_Weighted_Contribution": 2.68714, "FDA_Category_D_Top_Rank": 0.157885, "FDA_Category_X_L1000_Similarity": 0.645744, "FDA_Category_X_Structural_Similarity": 0.521579, "FDA_Category_X_Weighted_Contribution": 0.757415, "FDA_Category_X_Top_Rank": -0.0610458, "FDA_Category_D_and_X_L1000_Similarity": 0.303852, "FDA_Category_D_and_X_Structural_Similarity": 2.39172, "FDA_Category_D_and_X_Weighted_Contribution": 2.45698, "FDA_Category_D_and_X_Top_Rank": 0.085833, "Placenta_Crossing_L1000_Similarity": 0.228755, "Placenta_Crossing_Structural_Similarity": 3.31763, "Placenta_Crossing_Weighted_Contribution": 3.17871, "Placenta_Crossing_Top_Rank": 0.280329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O", "InChI_key": "ONWXNHPOAGOMTG-UHFFFAOYSA-N" } }, "CID:53708": { "type": "Drug", "properties": { "id": "CID:53708", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53708", "label": "enoximone", "FDA_Category_D_L1000_Similarity": 0.827565, "FDA_Category_D_Structural_Similarity": 1.84718, "FDA_Category_D_Weighted_Contribution": 2.31546, "FDA_Category_D_Top_Rank": 0.0247607, "FDA_Category_X_L1000_Similarity": -1.47157, "FDA_Category_X_Structural_Similarity": -0.638606, "FDA_Category_X_Weighted_Contribution": -1.1598, "FDA_Category_X_Top_Rank": -0.0914556, "FDA_Category_D_and_X_L1000_Similarity": 0.266484, "FDA_Category_D_and_X_Structural_Similarity": 1.12154, "FDA_Category_D_and_X_Weighted_Contribution": 1.14579, "FDA_Category_D_and_X_Top_Rank": -0.0444529, "Placenta_Crossing_L1000_Similarity": 0.404289, "Placenta_Crossing_Structural_Similarity": -1.0634, "Placenta_Crossing_Weighted_Contribution": -0.808754, "Placenta_Crossing_Top_Rank": -0.0844349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC", "InChI_key": "ZJKNESGOIKRXQY-UHFFFAOYSA-N" } }, "CID:5374": { "type": "Drug", "properties": { "id": "CID:5374", "label": "talipexole", "lsm": "LSM-3687", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5374", "IDG_ID": "2558", "FDA_Category_D_L1000_Similarity": 0.839253, "FDA_Category_D_Structural_Similarity": -0.00758652, "FDA_Category_D_Weighted_Contribution": 0.35565, "FDA_Category_D_Top_Rank": -0.0741736, "FDA_Category_X_L1000_Similarity": -1.36025, "FDA_Category_X_Structural_Similarity": -0.723666, "FDA_Category_X_Weighted_Contribution": -1.17614, "FDA_Category_X_Top_Rank": -0.0917121, "FDA_Category_D_and_X_L1000_Similarity": 0.310364, "FDA_Category_D_and_X_Structural_Similarity": -0.396509, "FDA_Category_D_and_X_Weighted_Contribution": -0.325451, "FDA_Category_D_and_X_Top_Rank": -0.0887989, "Placenta_Crossing_L1000_Similarity": 0.1577, "Placenta_Crossing_Structural_Similarity": 0.768242, "Placenta_Crossing_Weighted_Contribution": 0.702748, "Placenta_Crossing_Top_Rank": -0.0607234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCN1CCC2=C(CC1)SC(=N2)N", "InChI_key": "DHSSDEDRBUKTQY-UHFFFAOYSA-N" } }, "CID:5381": { "type": "Drug", "properties": { "id": "CID:5381", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5381", "label": "tazarotene", "FDA_Category_D_L1000_Similarity": -0.372782, "FDA_Category_D_Structural_Similarity": 0.517898, "FDA_Category_D_Weighted_Contribution": 0.171125, "FDA_Category_D_Top_Rank": -0.0703555, "FDA_Category_X_L1000_Similarity": 0.404595, "FDA_Category_X_Structural_Similarity": -0.542669, "FDA_Category_X_Weighted_Contribution": -0.429192, "FDA_Category_X_Top_Rank": -0.0837264, "FDA_Category_D_and_X_L1000_Similarity": -0.198479, "FDA_Category_D_and_X_Structural_Similarity": 0.11824, "FDA_Category_D_and_X_Weighted_Contribution": -0.127059, "FDA_Category_D_and_X_Top_Rank": -0.0835528, "Placenta_Crossing_L1000_Similarity": -0.630543, "Placenta_Crossing_Structural_Similarity": 0.580942, "Placenta_Crossing_Weighted_Contribution": 0.108141, "Placenta_Crossing_Top_Rank": -0.0673136, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C", "InChI_key": "OGQICQVSFDPSEI-UHFFFAOYSA-N" } }, "CID:5386": { "type": "Drug", "properties": { "id": "CID:5386", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5386", "label": "tegafur", "FDA_Category_D_L1000_Similarity": 0.549761, "FDA_Category_X_L1000_Similarity": -1.18036, "FDA_Category_D_and_X_L1000_Similarity": 0.115453, "Placenta_Crossing_L1000_Similarity": -1.04854, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(OC1)N2C=C(C(=O)NC2=O)F", "InChI_key": "WFWLQNSHRPWKFK-UHFFFAOYSA-N" } }, "CID:5400": { "type": "Drug", "properties": { "id": "CID:5400", "label": "ter-14687", "lsm": "LSM-1468", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5400", "FDA_Category_D_L1000_Similarity": 0.0870568, "FDA_Category_D_Structural_Similarity": -0.399318, "FDA_Category_D_Weighted_Contribution": -0.416365, "FDA_Category_D_Top_Rank": -0.091434, "FDA_Category_X_L1000_Similarity": -0.23409, "FDA_Category_X_Structural_Similarity": -0.249864, "FDA_Category_X_Weighted_Contribution": -0.452006, "FDA_Category_X_Top_Rank": -0.0855347, "FDA_Category_D_and_X_L1000_Similarity": 0.00395507, "FDA_Category_D_and_X_Structural_Similarity": -0.451769, "FDA_Category_D_and_X_Weighted_Contribution": -0.508229, "FDA_Category_D_and_X_Top_Rank": -0.0921498, "Placenta_Crossing_L1000_Similarity": -0.160336, "Placenta_Crossing_Structural_Similarity": -0.268781, "Placenta_Crossing_Weighted_Contribution": -0.433561, "Placenta_Crossing_Top_Rank": -0.0870004, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC1CC2=CC=CC=C2C1=O", "InChI_key": "IOXRKHWIYNWYFF-UHFFFAOYSA-N" } }, "CID:5403": { "type": "Drug", "properties": { "id": "CID:5403", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5403", "label": "terbutaline", "FDA_Category_D_L1000_Similarity": -0.381506, "FDA_Category_D_Structural_Similarity": 0.139249, "FDA_Category_D_Weighted_Contribution": -0.189483, "FDA_Category_D_Top_Rank": -0.0814295, "FDA_Category_X_L1000_Similarity": 0.785349, "FDA_Category_X_Structural_Similarity": 1.21608, "FDA_Category_X_Weighted_Contribution": 1.62453, "FDA_Category_X_Top_Rank": -0.0270295, "FDA_Category_D_and_X_L1000_Similarity": -0.0903713, "FDA_Category_D_and_X_Structural_Similarity": 0.766715, "FDA_Category_D_and_X_Weighted_Contribution": 0.559482, "FDA_Category_D_and_X_Top_Rank": -0.0647642, "Placenta_Crossing_L1000_Similarity": 1.21263, "Placenta_Crossing_Structural_Similarity": 0.931954, "Placenta_Crossing_Weighted_Contribution": 1.45403, "Placenta_Crossing_Top_Rank": -0.0531653, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O", "InChI_key": "XWTYSIMOBUGWOL-UHFFFAOYSA-N" } }, "CID:5411": { "type": "Drug", "properties": { "id": "CID:5411", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5411", "label": "tetracaine", "FDA_Category_D_L1000_Similarity": 0.803975, "FDA_Category_D_Structural_Similarity": -0.00169139, "FDA_Category_D_Weighted_Contribution": 0.340628, "FDA_Category_D_Top_Rank": -0.0756035, "FDA_Category_X_L1000_Similarity": 0.202405, "FDA_Category_X_Structural_Similarity": -0.483848, "FDA_Category_X_Weighted_Contribution": -0.465159, "FDA_Category_X_Top_Rank": -0.0859159, "FDA_Category_D_and_X_L1000_Similarity": 0.754512, "FDA_Category_D_and_X_Structural_Similarity": -0.262425, "FDA_Category_D_and_X_Weighted_Contribution": 0.0128506, "FDA_Category_D_and_X_Top_Rank": -0.0793654, "Placenta_Crossing_L1000_Similarity": -0.336154, "Placenta_Crossing_Structural_Similarity": 0.383592, "Placenta_Crossing_Weighted_Contribution": 0.0623539, "Placenta_Crossing_Top_Rank": -0.0729641, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C", "InChI_key": "GKCBAIGFKIBETG-UHFFFAOYSA-N" } }, "CID:5417": { "type": "Drug", "properties": { "id": "CID:5417", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5417", "label": "tetrahydropalmatine", "FDA_Category_D_L1000_Similarity": 0.70552, "FDA_Category_X_L1000_Similarity": 1.65441, "FDA_Category_D_and_X_L1000_Similarity": 1.11059, "Placenta_Crossing_L1000_Similarity": 1.84003, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC", "InChI_key": "AEQDJSLRWYMAQI-UHFFFAOYSA-N" } }, "CID:5430": { "type": "Drug", "properties": { "id": "CID:5430", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5430", "label": "thiabendazole", "FDA_Category_D_L1000_Similarity": 2.08226, "FDA_Category_D_Structural_Similarity": -0.356579, "FDA_Category_D_Weighted_Contribution": 0.752766, "FDA_Category_D_Top_Rank": 0.260309, "FDA_Category_X_L1000_Similarity": 0.218263, "FDA_Category_X_Structural_Similarity": -0.684485, "FDA_Category_X_Weighted_Contribution": -0.622271, "FDA_Category_X_Top_Rank": -0.0857476, "FDA_Category_D_and_X_L1000_Similarity": 1.86123, "FDA_Category_D_and_X_Structural_Similarity": -0.652367, "FDA_Category_D_and_X_Weighted_Contribution": 0.232621, "FDA_Category_D_and_X_Top_Rank": 0.0476612, "Placenta_Crossing_L1000_Similarity": 1.62054, "Placenta_Crossing_Structural_Similarity": -0.623467, "Placenta_Crossing_Weighted_Contribution": 0.0487061, "Placenta_Crossing_Top_Rank": -0.0266072, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3", "InChI_key": "WJCNZQLZVWNLKY-UHFFFAOYSA-N" } }, "CID:5440": { "type": "Drug", "properties": { "id": "CID:5440", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5440", "label": "thiethylperazine", "FDA_Category_D_L1000_Similarity": -0.227851, "FDA_Category_D_Structural_Similarity": 0.905085, "FDA_Category_D_Weighted_Contribution": 0.655508, "FDA_Category_D_Top_Rank": -0.0551185, "FDA_Category_X_L1000_Similarity": 0.442537, "FDA_Category_X_Structural_Similarity": 0.39775, "FDA_Category_X_Weighted_Contribution": 0.509562, "FDA_Category_X_Top_Rank": -0.065876, "FDA_Category_D_and_X_L1000_Similarity": -0.0620268, "FDA_Category_D_and_X_Structural_Similarity": 0.933003, "FDA_Category_D_and_X_Weighted_Contribution": 0.74924, "FDA_Category_D_and_X_Top_Rank": -0.0565881, "Placenta_Crossing_L1000_Similarity": -0.000242709, "Placenta_Crossing_Structural_Similarity": 2.11287, "Placenta_Crossing_Weighted_Contribution": 2.04653, "Placenta_Crossing_Top_Rank": 0.0430518, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C", "InChI_key": "XCTYLCDETUVOIP-UHFFFAOYSA-N" } }, "CID:54416524": { "type": "Drug", "properties": { "id": "CID:54416524", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54416524", "label": "doxycycline", "FDA_Category_D_L1000_Similarity": -0.67825, "FDA_Category_D_Structural_Similarity": 3.51417, "FDA_Category_D_Weighted_Contribution": 3.00598, "FDA_Category_D_Top_Rank": 0.367554, "FDA_Category_X_L1000_Similarity": -0.764464, "FDA_Category_X_Structural_Similarity": 0.908504, "FDA_Category_X_Weighted_Contribution": 0.409384, "FDA_Category_X_Top_Rank": -0.0452966, "FDA_Category_D_and_X_L1000_Similarity": -0.816819, "FDA_Category_D_and_X_Structural_Similarity": 3.27947, "FDA_Category_D_and_X_Weighted_Contribution": 2.68383, "FDA_Category_D_and_X_Top_Rank": 0.290233, "Placenta_Crossing_L1000_Similarity": -0.122876, "Placenta_Crossing_Structural_Similarity": 1.56912, "Placenta_Crossing_Weighted_Contribution": 1.41061, "Placenta_Crossing_Top_Rank": -0.0151498, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1C2C(C3C(C(=O)C(C(=O)C3(C(=O)C2C(=O)C4=C1C=CC=C4O)O)C(=O)N)N(C)C)O", "InChI_key": "VXVNYCRICCVPTD-UHFFFAOYSA-N" } }, "CID:54459": { "type": "Drug", "properties": { "id": "CID:54459", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54459", "label": "idazoxan", "FDA_Category_D_L1000_Similarity": -0.0177853, "FDA_Category_D_Structural_Similarity": -0.880436, "FDA_Category_D_Weighted_Contribution": -0.8223, "FDA_Category_D_Top_Rank": -0.0923285, "FDA_Category_X_L1000_Similarity": 1.10602, "FDA_Category_X_Structural_Similarity": -0.71551, "FDA_Category_X_Weighted_Contribution": -0.272367, "FDA_Category_X_Top_Rank": -0.0678546, "FDA_Category_D_and_X_L1000_Similarity": 0.320549, "FDA_Category_D_and_X_Structural_Similarity": -1.0849, "FDA_Category_D_and_X_Weighted_Contribution": -0.83288, "FDA_Category_D_and_X_Top_Rank": -0.0886417, "Placenta_Crossing_L1000_Similarity": 0.38169, "Placenta_Crossing_Structural_Similarity": -1.00589, "Placenta_Crossing_Weighted_Contribution": -0.777689, "Placenta_Crossing_Top_Rank": -0.0846765, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)C2COC3=CC=CC=C3O2", "InChI_key": "HPMRFMKYPGXPEP-UHFFFAOYSA-N" } }, "CID:5447130": { "type": "Drug", "properties": { "id": "CID:5447130", "label": "nitrofural", "lsm": "LSM-3779", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5447130", "FDA_Category_D_L1000_Similarity": -1.9442, "FDA_Category_D_Structural_Similarity": -0.842284, "FDA_Category_D_Weighted_Contribution": -1.40033, "FDA_Category_D_Top_Rank": -0.0967069, "FDA_Category_X_L1000_Similarity": -0.79759, "FDA_Category_X_Structural_Similarity": -0.766152, "FDA_Category_X_Weighted_Contribution": -1.03632, "FDA_Category_X_Top_Rank": -0.090869, "FDA_Category_D_and_X_L1000_Similarity": -1.91815, "FDA_Category_D_and_X_Structural_Similarity": -1.08194, "FDA_Category_D_and_X_Weighted_Contribution": -1.45073, "FDA_Category_D_and_X_Top_Rank": -0.0968128, "Placenta_Crossing_L1000_Similarity": -1.80336, "Placenta_Crossing_Structural_Similarity": -1.01545, "Placenta_Crossing_Weighted_Contribution": -1.37639, "Placenta_Crossing_Top_Rank": -0.0923329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N", "InChI_key": "IAIWVQXQOWNYOU-FPYGCLRLSA-N" } }, "CID:5455": { "type": "Drug", "properties": { "id": "CID:5455", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5455", "label": "thiram", "FDA_Category_D_L1000_Similarity": -1.17932, "FDA_Category_D_Structural_Similarity": -0.914121, "FDA_Category_D_Weighted_Contribution": -1.23408, "FDA_Category_D_Top_Rank": -0.0965152, "FDA_Category_X_L1000_Similarity": -2.42091, "FDA_Category_X_Structural_Similarity": -0.0997199, "FDA_Category_X_Weighted_Contribution": -1.12348, "FDA_Category_X_Top_Rank": -0.0822852, "FDA_Category_D_and_X_L1000_Similarity": -1.75179, "FDA_Category_D_and_X_Structural_Similarity": -0.779358, "FDA_Category_D_and_X_Weighted_Contribution": -1.29487, "FDA_Category_D_and_X_Top_Rank": -0.0958514, "Placenta_Crossing_L1000_Similarity": -1.22145, "Placenta_Crossing_Structural_Similarity": -1.04574, "Placenta_Crossing_Weighted_Contribution": -1.26215, "Placenta_Crossing_Top_Rank": -0.0920582, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=S)SSC(=S)N(C)C", "InChI_key": "KUAZQDVKQLNFPE-UHFFFAOYSA-N" } }, "CID:54596134": { "type": "Drug", "properties": { "id": "CID:54596134", "label": "TUL_XXI035", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54596134", "FDA_Category_D_L1000_Similarity": -0.996603, "FDA_Category_D_Structural_Similarity": 0.200126, "FDA_Category_D_Weighted_Contribution": -0.445127, "FDA_Category_D_Top_Rank": -0.0799114, "FDA_Category_X_L1000_Similarity": -1.49262, "FDA_Category_X_Structural_Similarity": -0.599505, "FDA_Category_X_Weighted_Contribution": -1.14368, "FDA_Category_X_Top_Rank": -0.0910666, "FDA_Category_D_and_X_L1000_Similarity": -1.31237, "FDA_Category_D_and_X_Structural_Similarity": -0.164648, "FDA_Category_D_and_X_Weighted_Contribution": -0.829695, "FDA_Category_D_and_X_Top_Rank": -0.089593, "Placenta_Crossing_L1000_Similarity": -0.925748, "Placenta_Crossing_Structural_Similarity": 0.8168, "Placenta_Crossing_Weighted_Contribution": 0.191488, "Placenta_Crossing_Top_Rank": -0.0590601, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54613929": { "type": "Drug", "properties": { "id": "CID:54613929", "label": "SA-243276", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54613929", "FDA_Category_D_L1000_Similarity": 0.76702, "FDA_Category_X_L1000_Similarity": -0.814392, "FDA_Category_D_and_X_L1000_Similarity": 0.413872, "Placenta_Crossing_L1000_Similarity": -0.0421953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54615594": { "type": "Drug", "properties": { "id": "CID:54615594", "label": "SA-427730", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54615594", "FDA_Category_D_L1000_Similarity": 0.0177849, "FDA_Category_D_Structural_Similarity": 1.35556, "FDA_Category_D_Weighted_Contribution": 1.3005, "FDA_Category_D_Top_Rank": -0.0307184, "FDA_Category_X_L1000_Similarity": -1.3687, "FDA_Category_X_Structural_Similarity": -0.571975, "FDA_Category_X_Weighted_Contribution": -1.09173, "FDA_Category_X_Top_Rank": -0.0907577, "FDA_Category_D_and_X_L1000_Similarity": -0.400324, "FDA_Category_D_and_X_Structural_Similarity": 0.767289, "FDA_Category_D_and_X_Weighted_Contribution": 0.383185, "FDA_Category_D_and_X_Top_Rank": -0.0647386, "Placenta_Crossing_L1000_Similarity": -0.83667, "Placenta_Crossing_Structural_Similarity": 0.442402, "Placenta_Crossing_Weighted_Contribution": -0.118356, "Placenta_Crossing_Top_Rank": -0.0713062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654330": { "type": "Drug", "properties": { "id": "CID:54654330", "label": "SA-1463814", "lsm": "LSM-12925", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654330", "FDA_Category_D_L1000_Similarity": 0.359924, "FDA_Category_X_L1000_Similarity": 1.24356, "FDA_Category_D_and_X_L1000_Similarity": 0.687906, "Placenta_Crossing_L1000_Similarity": -0.0498539, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654428": { "type": "Drug", "properties": { "id": "CID:54654428", "label": "SA-1472623", "lsm": "LSM-10199", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654428", "FDA_Category_D_L1000_Similarity": -0.782027, "FDA_Category_X_L1000_Similarity": -0.861778, "FDA_Category_D_and_X_L1000_Similarity": -0.93582, "Placenta_Crossing_L1000_Similarity": -1.53948, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654429": { "type": "Drug", "properties": { "id": "CID:54654429", "label": "SA-1472655", "lsm": "LSM-8809", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654429", "FDA_Category_D_L1000_Similarity": -1.09357, "FDA_Category_X_L1000_Similarity": -0.278785, "FDA_Category_D_and_X_L1000_Similarity": -1.02733, "Placenta_Crossing_L1000_Similarity": -0.65868, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654441": { "type": "Drug", "properties": { "id": "CID:54654441", "label": "SA-1480001", "lsm": "LSM-11435", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654441", "FDA_Category_D_L1000_Similarity": 0.515731, "FDA_Category_X_L1000_Similarity": -0.622495, "FDA_Category_D_and_X_L1000_Similarity": 0.255539, "Placenta_Crossing_L1000_Similarity": 0.655527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654478": { "type": "Drug", "properties": { "id": "CID:54654478", "label": "SA-1472548", "lsm": "LSM-10581", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654478", "FDA_Category_D_L1000_Similarity": -0.653639, "FDA_Category_X_L1000_Similarity": 1.10243, "FDA_Category_D_and_X_L1000_Similarity": -0.228657, "Placenta_Crossing_L1000_Similarity": -0.255022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54655268": { "type": "Drug", "properties": { "id": "CID:54655268", "label": "SA-1462246", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54655268", "FDA_Category_D_L1000_Similarity": 0.648568, "FDA_Category_D_Structural_Similarity": -0.374231, "FDA_Category_D_Weighted_Contribution": -0.108321, "FDA_Category_D_Top_Rank": -0.0812142, "FDA_Category_X_L1000_Similarity": 0.739437, "FDA_Category_X_Structural_Similarity": -0.409281, "FDA_Category_X_Weighted_Contribution": -0.159205, "FDA_Category_X_Top_Rank": -0.0782908, "FDA_Category_D_and_X_L1000_Similarity": 0.783631, "FDA_Category_D_and_X_Structural_Similarity": -0.517879, "FDA_Category_D_and_X_Weighted_Contribution": -0.202585, "FDA_Category_D_and_X_Top_Rank": -0.0783788, "Placenta_Crossing_L1000_Similarity": 1.20989, "Placenta_Crossing_Structural_Similarity": 0.0776748, "Placenta_Crossing_Weighted_Contribution": 0.538671, "Placenta_Crossing_Top_Rank": -0.0612385, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54656096": { "type": "Drug", "properties": { "id": "CID:54656096", "label": "SA-1473648", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54656096", "FDA_Category_D_L1000_Similarity": 0.733605, "FDA_Category_D_Structural_Similarity": -0.766752, "FDA_Category_D_Weighted_Contribution": -0.407147, "FDA_Category_D_Top_Rank": -0.0784968, "FDA_Category_X_L1000_Similarity": 0.72721, "FDA_Category_X_Structural_Similarity": 1.74148, "FDA_Category_X_Weighted_Contribution": 2.17206, "FDA_Category_X_Top_Rank": 0.00913733, "FDA_Category_D_and_X_L1000_Similarity": 0.853216, "FDA_Category_D_and_X_Structural_Similarity": 0.331114, "FDA_Category_D_and_X_Weighted_Contribution": 0.656234, "FDA_Category_D_and_X_Top_Rank": -0.0759206, "Placenta_Crossing_L1000_Similarity": 0.9881, "Placenta_Crossing_Structural_Similarity": -0.592957, "Placenta_Crossing_Weighted_Contribution": -0.215891, "Placenta_Crossing_Top_Rank": -0.0708399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657694": { "type": "Drug", "properties": { "id": "CID:54657694", "label": "SA-1460192", "lsm": "LSM-10048", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657694", "FDA_Category_D_L1000_Similarity": -0.701363, "FDA_Category_X_L1000_Similarity": -0.495181, "FDA_Category_D_and_X_L1000_Similarity": -0.754959, "Placenta_Crossing_L1000_Similarity": -1.67425, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657713": { "type": "Drug", "properties": { "id": "CID:54657713", "label": "SA-1459963", "lsm": "LSM-9843", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657713", "FDA_Category_D_L1000_Similarity": 0.830884, "FDA_Category_X_L1000_Similarity": -0.0649399, "FDA_Category_D_and_X_L1000_Similarity": 0.696511, "Placenta_Crossing_L1000_Similarity": 0.507897, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657714": { "type": "Drug", "properties": { "id": "CID:54657714", "label": "SA-1457305", "lsm": "LSM-13288", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657714", "FDA_Category_D_L1000_Similarity": 0.461453, "FDA_Category_X_L1000_Similarity": 1.12145, "FDA_Category_D_and_X_L1000_Similarity": 0.738337, "Placenta_Crossing_L1000_Similarity": -0.033247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657718": { "type": "Drug", "properties": { "id": "CID:54657718", "label": "SA-1456456", "lsm": "LSM-12482", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657718", "FDA_Category_D_L1000_Similarity": -0.276345, "FDA_Category_D_Structural_Similarity": -0.509837, "FDA_Category_D_Weighted_Contribution": -0.668179, "FDA_Category_D_Top_Rank": -0.0941013, "FDA_Category_X_L1000_Similarity": -0.18148, "FDA_Category_X_Structural_Similarity": -0.381584, "FDA_Category_X_Weighted_Contribution": -0.539739, "FDA_Category_X_Top_Rank": -0.0879052, "FDA_Category_D_and_X_L1000_Similarity": -0.293319, "FDA_Category_D_and_X_Structural_Similarity": -0.610565, "FDA_Category_D_and_X_Weighted_Contribution": -0.745892, "FDA_Category_D_and_X_Top_Rank": -0.0941685, "Placenta_Crossing_L1000_Similarity": 0.584262, "Placenta_Crossing_Structural_Similarity": -0.325335, "Placenta_Crossing_Weighted_Contribution": -0.160434, "Placenta_Crossing_Top_Rank": -0.0813358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657735": { "type": "Drug", "properties": { "id": "CID:54657735", "label": "SA-1457187", "lsm": "LSM-9348", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657735", "FDA_Category_D_L1000_Similarity": -0.302857, "FDA_Category_X_L1000_Similarity": 0.123417, "FDA_Category_D_and_X_L1000_Similarity": -0.223591, "Placenta_Crossing_L1000_Similarity": -0.360339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657736": { "type": "Drug", "properties": { "id": "CID:54657736", "label": "SA-1460224", "lsm": "LSM-10360", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657736", "FDA_Category_D_L1000_Similarity": 0.323489, "FDA_Category_X_L1000_Similarity": -0.278849, "FDA_Category_D_and_X_L1000_Similarity": 0.194172, "Placenta_Crossing_L1000_Similarity": -0.458083, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657737": { "type": "Drug", "properties": { "id": "CID:54657737", "label": "SA-1457769", "lsm": "LSM-11572", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657737", "FDA_Category_D_L1000_Similarity": -0.0851351, "FDA_Category_X_L1000_Similarity": -1.10793, "FDA_Category_D_and_X_L1000_Similarity": -0.409846, "Placenta_Crossing_L1000_Similarity": -0.0428456, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657738": { "type": "Drug", "properties": { "id": "CID:54657738", "label": "SA-1458487", "lsm": "LSM-13035", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657738", "FDA_Category_D_L1000_Similarity": 0.475033, "FDA_Category_X_L1000_Similarity": -0.773554, "FDA_Category_D_and_X_L1000_Similarity": 0.174575, "Placenta_Crossing_L1000_Similarity": -0.121672, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660081": { "type": "Drug", "properties": { "id": "CID:54660081", "label": "SA-1456859", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660081", "FDA_Category_D_L1000_Similarity": 0.63515, "FDA_Category_D_Structural_Similarity": -0.373597, "FDA_Category_D_Weighted_Contribution": -0.11493, "FDA_Category_D_Top_Rank": -0.0816165, "FDA_Category_X_L1000_Similarity": 0.95144, "FDA_Category_X_Structural_Similarity": -0.391596, "FDA_Category_X_Weighted_Contribution": -0.0411241, "FDA_Category_X_Top_Rank": -0.072884, "FDA_Category_D_and_X_L1000_Similarity": 0.83644, "FDA_Category_D_and_X_Structural_Similarity": -0.507832, "FDA_Category_D_and_X_Weighted_Contribution": -0.167818, "FDA_Category_D_and_X_Top_Rank": -0.0764974, "Placenta_Crossing_L1000_Similarity": 1.46659, "Placenta_Crossing_Structural_Similarity": 0.0992123, "Placenta_Crossing_Weighted_Contribution": 0.697451, "Placenta_Crossing_Top_Rank": -0.0431858, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660111": { "type": "Drug", "properties": { "id": "CID:54660111", "label": "SA-1459481", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660111", "FDA_Category_D_L1000_Similarity": 0.306059, "FDA_Category_X_L1000_Similarity": -0.254195, "FDA_Category_D_and_X_L1000_Similarity": 0.186626, "Placenta_Crossing_L1000_Similarity": 0.651609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5466054": { "type": "Drug", "properties": { "id": "CID:5466054", "label": "st-208960", "lsm": "LSM-4405", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5466054", "FDA_Category_D_L1000_Similarity": 0.880702, "FDA_Category_X_L1000_Similarity": 1.7341, "FDA_Category_D_and_X_L1000_Similarity": 1.2858, "Placenta_Crossing_L1000_Similarity": 1.65261, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC(C)C)C(=O)O)O", "InChI_key": "YPJLUCAXHFPZJD-UHFFFAOYSA-N" } }, "CID:54666566": { "type": "Drug", "properties": { "id": "CID:54666566", "label": "SA-1922257", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666566", "FDA_Category_D_L1000_Similarity": 1.04457, "FDA_Category_X_L1000_Similarity": -1.08701, "FDA_Category_D_and_X_L1000_Similarity": 0.57034, "Placenta_Crossing_L1000_Similarity": 0.306357, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666567": { "type": "Drug", "properties": { "id": "CID:54666567", "label": "SA-1922261", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666567", "FDA_Category_D_L1000_Similarity": 0.372943, "FDA_Category_X_L1000_Similarity": 0.496754, "FDA_Category_D_and_X_L1000_Similarity": 0.472339, "Placenta_Crossing_L1000_Similarity": 0.10989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666568": { "type": "Drug", "properties": { "id": "CID:54666568", "label": "SA-1919584", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666568", "FDA_Category_D_L1000_Similarity": -0.669305, "FDA_Category_X_L1000_Similarity": -0.96517, "FDA_Category_D_and_X_L1000_Similarity": -0.870051, "Placenta_Crossing_L1000_Similarity": -1.22003, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666573": { "type": "Drug", "properties": { "id": "CID:54666573", "label": "SA-1919875", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666573", "FDA_Category_D_L1000_Similarity": 0.460486, "FDA_Category_X_L1000_Similarity": -0.718548, "FDA_Category_D_and_X_L1000_Similarity": 0.17874, "Placenta_Crossing_L1000_Similarity": -0.759483, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54667575": { "type": "Drug", "properties": { "id": "CID:54667575", "label": "SA-1921599", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54667575", "FDA_Category_D_L1000_Similarity": -1.49527, "FDA_Category_D_Structural_Similarity": -0.560814, "FDA_Category_D_Weighted_Contribution": -1.1489, "FDA_Category_D_Top_Rank": -0.094703, "FDA_Category_X_L1000_Similarity": -1.75328, "FDA_Category_X_Structural_Similarity": -0.469475, "FDA_Category_X_Weighted_Contribution": -1.14391, "FDA_Category_X_Top_Rank": -0.0893552, "FDA_Category_D_and_X_L1000_Similarity": -1.82139, "FDA_Category_D_and_X_Structural_Similarity": -0.698452, "FDA_Category_D_and_X_Weighted_Contribution": -1.27642, "FDA_Category_D_and_X_Top_Rank": -0.0954157, "Placenta_Crossing_L1000_Similarity": -1.73108, "Placenta_Crossing_Structural_Similarity": 0.173143, "Placenta_Crossing_Weighted_Contribution": -0.703104, "Placenta_Crossing_Top_Rank": -0.0784407, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669118": { "type": "Drug", "properties": { "id": "CID:54669118", "label": "SA-1921902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669118", "FDA_Category_D_L1000_Similarity": -1.11251, "FDA_Category_X_L1000_Similarity": -1.22294, "FDA_Category_D_and_X_L1000_Similarity": -1.3304, "Placenta_Crossing_L1000_Similarity": -0.943341, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5468": { "type": "Drug", "properties": { "id": "CID:5468", "label": "tiaprofenic acid", "lsm": "LSM-1769", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5468", "FDA_Category_D_L1000_Similarity": 0.924623, "FDA_Category_D_Structural_Similarity": -0.526164, "FDA_Category_D_Weighted_Contribution": -0.0994069, "FDA_Category_D_Top_Rank": -0.0699771, "FDA_Category_X_L1000_Similarity": 1.24021, "FDA_Category_X_Structural_Similarity": -0.274683, "FDA_Category_X_Weighted_Contribution": 0.220542, "FDA_Category_X_Top_Rank": -0.0622382, "FDA_Category_D_and_X_L1000_Similarity": 1.17367, "FDA_Category_D_and_X_Structural_Similarity": -0.565842, "FDA_Category_D_and_X_Weighted_Contribution": -0.0502016, "FDA_Category_D_and_X_Top_Rank": -0.0567379, "Placenta_Crossing_L1000_Similarity": 0.926961, "Placenta_Crossing_Structural_Similarity": -0.566882, "Placenta_Crossing_Weighted_Contribution": -0.220216, "Placenta_Crossing_Top_Rank": -0.0728447, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O", "InChI_key": "GUHPRPJDBZHYCJ-UHFFFAOYSA-N" } }, "CID:5468216": { "type": "Drug", "properties": { "id": "CID:5468216", "label": "rg-13022", "lsm": "LSM-3856", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5468216", "FDA_Category_D_L1000_Similarity": 1.05279, "FDA_Category_D_Structural_Similarity": -0.000772007, "FDA_Category_D_Weighted_Contribution": 0.491471, "FDA_Category_D_Top_Rank": -0.0621732, "FDA_Category_X_L1000_Similarity": 0.287257, "FDA_Category_X_Structural_Similarity": -0.605655, "FDA_Category_X_Weighted_Contribution": -0.531152, "FDA_Category_X_Top_Rank": -0.0850768, "FDA_Category_D_and_X_L1000_Similarity": 0.994757, "FDA_Category_D_and_X_Structural_Similarity": -0.327422, "FDA_Category_D_and_X_Weighted_Contribution": 0.0781134, "FDA_Category_D_and_X_Top_Rank": -0.0694651, "Placenta_Crossing_L1000_Similarity": 1.19371, "Placenta_Crossing_Structural_Similarity": -0.556922, "Placenta_Crossing_Weighted_Contribution": -0.0905114, "Placenta_Crossing_Top_Rank": -0.0621552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC", "InChI_key": "DBGZNJVTHYFQJI-RIYZIHGNSA-N" } }, "CID:5469318": { "type": "Drug", "properties": { "id": "CID:5469318", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5469318", "label": "salirasib", "FDA_Category_D_L1000_Similarity": -0.224031, "FDA_Category_D_Structural_Similarity": -0.0443494, "FDA_Category_D_Weighted_Contribution": -0.270046, "FDA_Category_D_Top_Rank": -0.0861323, "FDA_Category_X_L1000_Similarity": 1.94681, "FDA_Category_X_Structural_Similarity": 1.76337, "FDA_Category_X_Weighted_Contribution": 2.80314, "FDA_Category_X_Top_Rank": 0.0126344, "FDA_Category_D_and_X_L1000_Similarity": 0.398084, "FDA_Category_D_and_X_Structural_Similarity": 0.916308, "FDA_Category_D_and_X_Weighted_Contribution": 1.00514, "FDA_Category_D_and_X_Top_Rank": -0.0571451, "Placenta_Crossing_L1000_Similarity": 1.58584, "Placenta_Crossing_Structural_Similarity": 3.23405, "Placenta_Crossing_Weighted_Contribution": 3.5427, "Placenta_Crossing_Top_Rank": 0.265081, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCCC(=CCSC1=CC=CC=C1C(=O)O)C)C)C", "InChI_key": "WUILNKCFCLNXOK-CFBAGHHKSA-N" } }, "CID:5479": { "type": "Drug", "properties": { "id": "CID:5479", "label": "tinidazole", "lsm": "LSM-5948", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5479", "FDA_Category_D_L1000_Similarity": 0.63269, "FDA_Category_D_Structural_Similarity": 0.464678, "FDA_Category_D_Weighted_Contribution": 0.723216, "FDA_Category_D_Top_Rank": -0.0722753, "FDA_Category_X_L1000_Similarity": 1.08025, "FDA_Category_X_Structural_Similarity": 0.382202, "FDA_Category_X_Weighted_Contribution": 0.844691, "FDA_Category_X_Top_Rank": -0.0666183, "FDA_Category_D_and_X_L1000_Similarity": 0.873446, "FDA_Category_D_and_X_Structural_Similarity": 0.575056, "FDA_Category_D_and_X_Weighted_Contribution": 0.925406, "FDA_Category_D_and_X_Top_Rank": -0.0717694, "Placenta_Crossing_L1000_Similarity": 0.826546, "Placenta_Crossing_Structural_Similarity": -0.593609, "Placenta_Crossing_Weighted_Contribution": -0.287373, "Placenta_Crossing_Top_Rank": -0.0755844, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C", "InChI_key": "HJLSLZFTEKNLFI-UHFFFAOYSA-N" } }, "CID:54841": { "type": "Drug", "properties": { "id": "CID:54841", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54841", "label": "atomoxetine", "ref": "LSM-2452", "FDA_Category_D_L1000_Similarity": 1.19414, "FDA_Category_D_Structural_Similarity": -0.869361, "FDA_Category_D_Weighted_Contribution": -0.265303, "FDA_Category_D_Top_Rank": -0.0495648, "FDA_Category_X_L1000_Similarity": 0.182027, "FDA_Category_X_Structural_Similarity": -0.721515, "FDA_Category_X_Weighted_Contribution": -0.665259, "FDA_Category_X_Top_Rank": -0.086116, "FDA_Category_D_and_X_L1000_Similarity": 1.08465, "FDA_Category_D_and_X_Structural_Similarity": -1.07935, "FDA_Category_D_and_X_Weighted_Contribution": -0.525036, "FDA_Category_D_and_X_Top_Rank": -0.0637692, "Placenta_Crossing_L1000_Similarity": 1.20848, "Placenta_Crossing_Structural_Similarity": -0.917929, "Placenta_Crossing_Weighted_Contribution": -0.396714, "Placenta_Crossing_Top_Rank": -0.0612893, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2", "InChI_key": "VHGCDTVCOLNTBX-QGZVFWFLSA-N" } }, "CID:5487427": { "type": "Drug", "properties": { "id": "CID:5487427", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5487427", "label": "tiotropium", "FDA_Category_D_L1000_Similarity": 1.08659, "FDA_Category_D_Structural_Similarity": 0.801677, "FDA_Category_D_Weighted_Contribution": 1.37923, "FDA_Category_D_Top_Rank": -0.0594966, "FDA_Category_X_L1000_Similarity": -1.39473, "FDA_Category_X_Structural_Similarity": -0.64436, "FDA_Category_X_Weighted_Contribution": -1.14134, "FDA_Category_X_Top_Rank": -0.0915013, "FDA_Category_D_and_X_L1000_Similarity": 0.513106, "FDA_Category_D_and_X_Structural_Similarity": 0.288607, "FDA_Category_D_and_X_Weighted_Contribution": 0.416783, "FDA_Category_D_and_X_Top_Rank": -0.0796738, "Placenta_Crossing_L1000_Similarity": 0.366593, "Placenta_Crossing_Structural_Similarity": 0.886653, "Placenta_Crossing_Weighted_Contribution": 0.941959, "Placenta_Crossing_Top_Rank": -0.0558905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "LERNTVKEWCAPOY-DZZGSBJMSA-N" } }, "CID:5488645": { "type": "Drug", "properties": { "id": "CID:5488645", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5488645", "label": "7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid", "FDA_Category_D_L1000_Similarity": -0.474273, "FDA_Category_D_Structural_Similarity": -0.377789, "FDA_Category_D_Weighted_Contribution": -0.656297, "FDA_Category_D_Top_Rank": -0.0926241, "FDA_Category_X_L1000_Similarity": 1.16753, "FDA_Category_X_Structural_Similarity": -0.305753, "FDA_Category_X_Weighted_Contribution": 0.151535, "FDA_Category_X_Top_Rank": -0.0657041, "FDA_Category_D_and_X_L1000_Similarity": -0.0542749, "FDA_Category_D_and_X_Structural_Similarity": -0.464839, "FDA_Category_D_and_X_Weighted_Contribution": -0.543357, "FDA_Category_D_and_X_Top_Rank": -0.0926619, "Placenta_Crossing_L1000_Similarity": -0.0398037, "Placenta_Crossing_Structural_Similarity": 3.99517, "Placenta_Crossing_Weighted_Contribution": 3.50895, "Placenta_Crossing_Top_Rank": 0.496704, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O", "InChI_key": "JWCSIUVGFCSJCK-LIUKBUMOSA-N" } }, "CID:5497": { "type": "Drug", "properties": { "id": "CID:5497", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5497", "label": "nikethamide", "FDA_Category_D_L1000_Similarity": 0.335684, "FDA_Category_D_Structural_Similarity": -0.80537, "FDA_Category_D_Weighted_Contribution": -0.6215, "FDA_Category_D_Top_Rank": -0.0882434, "FDA_Category_X_L1000_Similarity": -0.342882, "FDA_Category_X_Structural_Similarity": -0.00368473, "FDA_Category_X_Weighted_Contribution": -0.284302, "FDA_Category_X_Top_Rank": -0.0798671, "FDA_Category_D_and_X_L1000_Similarity": 0.185227, "FDA_Category_D_and_X_Structural_Similarity": -0.641221, "FDA_Category_D_and_X_Weighted_Contribution": -0.575226, "FDA_Category_D_and_X_Top_Rank": -0.0903875, "Placenta_Crossing_L1000_Similarity": 0.139745, "Placenta_Crossing_Structural_Similarity": -0.462209, "Placenta_Crossing_Weighted_Contribution": -0.466616, "Placenta_Crossing_Top_Rank": -0.087173, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)C1=CN=CC=C1", "InChI_key": "NCYVXEGFNDZQCU-UHFFFAOYSA-N" } }, "CID:5522": { "type": "Drug", "properties": { "id": "CID:5522", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5522", "label": "tracazolate", "FDA_Category_D_L1000_Similarity": 1.07737, "FDA_Category_D_Structural_Similarity": -0.302303, "FDA_Category_D_Weighted_Contribution": 0.199706, "FDA_Category_D_Top_Rank": -0.060342, "FDA_Category_X_L1000_Similarity": 2.35582, "FDA_Category_X_Structural_Similarity": -0.5168, "FDA_Category_X_Weighted_Contribution": 0.556104, "FDA_Category_X_Top_Rank": 0.0976773, "FDA_Category_D_and_X_L1000_Similarity": 1.64413, "FDA_Category_D_and_X_Structural_Similarity": -0.518805, "FDA_Category_D_and_X_Weighted_Contribution": 0.244227, "FDA_Category_D_and_X_Top_Rank": -0.000418694, "Placenta_Crossing_L1000_Similarity": 1.15646, "Placenta_Crossing_Structural_Similarity": 0.195527, "Placenta_Crossing_Weighted_Contribution": 0.633269, "Placenta_Crossing_Top_Rank": -0.0640336, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCNC1=C2C=NN(C2=NC(=C1C(=O)OCC)C)CC", "InChI_key": "PCTRYMLLRKWXGF-UHFFFAOYSA-N" } }, "CID:55245": { "type": "Drug", "properties": { "id": "CID:55245", "label": "mifepristone", "lsm": "LSM-2822", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/55245", "IDG_ID": "1805", "FDA_Category_D_L1000_Similarity": -0.284534, "FDA_Category_D_Structural_Similarity": -0.719353, "FDA_Category_D_Weighted_Contribution": -0.819015, "FDA_Category_D_Top_Rank": -0.0941549, "FDA_Category_X_L1000_Similarity": 1.64904, "FDA_Category_X_Structural_Similarity": 3.35083, "FDA_Category_X_Weighted_Contribution": 3.83364, "FDA_Category_X_Top_Rank": 0.294733, "FDA_Category_D_and_X_L1000_Similarity": 0.255516, "FDA_Category_D_and_X_Structural_Similarity": 1.23713, "FDA_Category_D_and_X_Weighted_Contribution": 1.26303, "FDA_Category_D_and_X_Top_Rank": -0.0365867, "Placenta_Crossing_L1000_Similarity": 0.686123, "Placenta_Crossing_Structural_Similarity": 0.204234, "Placenta_Crossing_Weighted_Contribution": 0.395916, "Placenta_Crossing_Top_Rank": -0.0775718, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O", "InChI_key": "VKHAHZOOUSRJNA-GCNJZUOMSA-N" } }, "CID:5534": { "type": "Drug", "properties": { "id": "CID:5534", "label": "tremorine", "lsm": "LSM-2171", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5534", "FDA_Category_D_L1000_Similarity": 1.20031, "FDA_Category_D_Structural_Similarity": -0.238829, "FDA_Category_D_Weighted_Contribution": 0.335499, "FDA_Category_D_Top_Rank": -0.0487016, "FDA_Category_X_L1000_Similarity": 0.918708, "FDA_Category_X_Structural_Similarity": -0.492874, "FDA_Category_X_Weighted_Contribution": -0.153464, "FDA_Category_X_Top_Rank": -0.0738545, "FDA_Category_D_and_X_L1000_Similarity": 1.31368, "FDA_Category_D_and_X_Structural_Similarity": -0.455514, "FDA_Category_D_and_X_Weighted_Contribution": 0.12625, "FDA_Category_D_and_X_Top_Rank": -0.0456247, "Placenta_Crossing_L1000_Similarity": 1.50483, "Placenta_Crossing_Structural_Similarity": -0.960481, "Placenta_Crossing_Weighted_Contribution": -0.306766, "Placenta_Crossing_Top_Rank": -0.0395975, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)CC#CCN2CCCC2", "InChI_key": "JSUAJTLKVREZHV-UHFFFAOYSA-N" } }, "CID:5573": { "type": "Drug", "properties": { "id": "CID:5573", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5573", "label": "trimebutine", "FDA_Category_D_L1000_Similarity": 0.126274, "FDA_Category_D_Structural_Similarity": 0.26531, "FDA_Category_D_Weighted_Contribution": 0.210268, "FDA_Category_D_Top_Rank": -0.0781648, "FDA_Category_X_L1000_Similarity": 1.57184, "FDA_Category_X_Structural_Similarity": -0.461441, "FDA_Category_X_Weighted_Contribution": 0.199148, "FDA_Category_X_Top_Rank": -0.0419779, "FDA_Category_D_and_X_L1000_Similarity": 0.586191, "FDA_Category_D_and_X_Structural_Similarity": -0.0384118, "FDA_Category_D_and_X_Weighted_Contribution": 0.135136, "FDA_Category_D_and_X_Top_Rank": -0.0838332, "Placenta_Crossing_L1000_Similarity": 1.78514, "Placenta_Crossing_Structural_Similarity": 0.256158, "Placenta_Crossing_Weighted_Contribution": 1.03794, "Placenta_Crossing_Top_Rank": -0.00316306, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C", "InChI_key": "LORDFXWUHHSAQU-UHFFFAOYSA-N" } }, "CID:5585": { "type": "Drug", "properties": { "id": "CID:5585", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5585", "label": "trioxsalen", "FDA_Category_D_L1000_Similarity": 0.892533, "FDA_Category_D_Structural_Similarity": 1.2251, "FDA_Category_D_Weighted_Contribution": 1.71491, "FDA_Category_D_Top_Rank": -0.0388993, "FDA_Category_X_L1000_Similarity": -0.577287, "FDA_Category_X_Structural_Similarity": 2.06929, "FDA_Category_X_Weighted_Contribution": 1.81702, "FDA_Category_X_Top_Rank": 0.0477158, "FDA_Category_D_and_X_L1000_Similarity": 0.59407, "FDA_Category_D_and_X_Structural_Similarity": 2.08896, "FDA_Category_D_and_X_Weighted_Contribution": 2.32783, "FDA_Category_D_and_X_Top_Rank": 0.0460955, "Placenta_Crossing_L1000_Similarity": 0.962491, "Placenta_Crossing_Structural_Similarity": -0.116754, "Placenta_Crossing_Weighted_Contribution": 0.215349, "Placenta_Crossing_Top_Rank": -0.0716654, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C", "InChI_key": "FMHHVULEAZTJMA-UHFFFAOYSA-N" } }, "CID:5587": { "type": "Drug", "properties": { "id": "CID:5587", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5587", "label": "tripelennamine", "FDA_Category_D_L1000_Similarity": 1.22363, "FDA_Category_D_Structural_Similarity": -0.149341, "FDA_Category_D_Weighted_Contribution": 0.441152, "FDA_Category_D_Top_Rank": -0.0463889, "FDA_Category_X_L1000_Similarity": 0.322721, "FDA_Category_X_Structural_Similarity": -0.590171, "FDA_Category_X_Weighted_Contribution": -0.503735, "FDA_Category_X_Top_Rank": -0.0847016, "FDA_Category_D_and_X_L1000_Similarity": 1.15279, "FDA_Category_D_and_X_Structural_Similarity": -0.436988, "FDA_Category_D_and_X_Weighted_Contribution": 0.0583513, "FDA_Category_D_and_X_Top_Rank": -0.0590106, "Placenta_Crossing_L1000_Similarity": 1.34083, "Placenta_Crossing_Structural_Similarity": -0.621537, "Placenta_Crossing_Weighted_Contribution": -0.0813759, "Placenta_Crossing_Top_Rank": -0.0529762, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2", "InChI_key": "UFLGIAIHIAPJJC-UHFFFAOYSA-N" } }, "CID:5597": { "type": "Drug", "properties": { "id": "CID:5597", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5597", "label": "troxipide", "FDA_Category_D_L1000_Similarity": 0.685893, "FDA_Category_D_Structural_Similarity": 4.72442, "FDA_Category_D_Weighted_Contribution": 4.04108, "FDA_Category_D_Top_Rank": 0.940935, "FDA_Category_X_L1000_Similarity": -0.342279, "FDA_Category_X_Structural_Similarity": -0.606796, "FDA_Category_X_Weighted_Contribution": -0.775953, "FDA_Category_X_Top_Rank": -0.0894405, "FDA_Category_D_and_X_L1000_Similarity": 0.487306, "FDA_Category_D_and_X_Structural_Similarity": 3.42241, "FDA_Category_D_and_X_Weighted_Contribution": 3.31632, "FDA_Category_D_and_X_Top_Rank": 0.34907, "Placenta_Crossing_L1000_Similarity": 0.23794, "Placenta_Crossing_Structural_Similarity": 1.08814, "Placenta_Crossing_Weighted_Contribution": 1.08875, "Placenta_Crossing_Top_Rank": -0.0460599, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2", "InChI_key": "YSIITVVESCNIPR-UHFFFAOYSA-N" } }, "CID:5606": { "type": "Drug", "properties": { "id": "CID:5606", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5606", "label": "tulobuterol", "FDA_Category_D_L1000_Similarity": -1.34628, "FDA_Category_D_Structural_Similarity": -0.55301, "FDA_Category_D_Weighted_Contribution": -1.09766, "FDA_Category_D_Top_Rank": -0.0946495, "FDA_Category_X_L1000_Similarity": 1.21675, "FDA_Category_X_Structural_Similarity": -0.0264322, "FDA_Category_X_Weighted_Contribution": 0.469884, "FDA_Category_X_Top_Rank": -0.0634001, "FDA_Category_D_and_X_L1000_Similarity": -0.791004, "FDA_Category_D_and_X_Structural_Similarity": -0.453194, "FDA_Category_D_and_X_Weighted_Contribution": -0.827274, "FDA_Category_D_and_X_Top_Rank": -0.0935367, "Placenta_Crossing_L1000_Similarity": 0.00797476, "Placenta_Crossing_Structural_Similarity": 0.62696, "Placenta_Crossing_Weighted_Contribution": 0.476286, "Placenta_Crossing_Top_Rank": -0.0655291, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(C1=CC=CC=C1Cl)O", "InChI_key": "YREYLAVBNPACJM-UHFFFAOYSA-N" } }, "CID:56208": { "type": "Drug", "properties": { "id": "CID:56208", "label": "sarafloxacin", "lsm": "LSM-5263", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56208", "FDA_Category_D_L1000_Similarity": -0.00184764, "FDA_Category_D_Structural_Similarity": -0.722541, "FDA_Category_D_Weighted_Contribution": -0.705931, "FDA_Category_D_Top_Rank": -0.0921812, "FDA_Category_X_L1000_Similarity": 0.259245, "FDA_Category_X_Structural_Similarity": 0.593597, "FDA_Category_X_Weighted_Contribution": 0.623114, "FDA_Category_X_Top_Rank": -0.0581142, "FDA_Category_D_and_X_L1000_Similarity": 0.0771435, "FDA_Category_D_and_X_Structural_Similarity": -0.253188, "FDA_Category_D_and_X_Weighted_Contribution": -0.31492, "FDA_Category_D_and_X_Top_Rank": -0.0910308, "Placenta_Crossing_L1000_Similarity": 0.164284, "Placenta_Crossing_Structural_Similarity": 0.473823, "Placenta_Crossing_Weighted_Contribution": 0.400847, "Placenta_Crossing_Top_Rank": -0.0702557, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F", "InChI_key": "XBHBWNFJWIASRO-UHFFFAOYSA-N" } }, "CID:5639": { "type": "Drug", "properties": { "id": "CID:5639", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5639", "label": "urapidil", "FDA_Category_D_L1000_Similarity": 2.29328, "FDA_Category_D_Structural_Similarity": -0.849016, "FDA_Category_D_Weighted_Contribution": 0.365872, "FDA_Category_D_Top_Rank": 0.454379, "FDA_Category_X_L1000_Similarity": 2.13789, "FDA_Category_X_Structural_Similarity": -0.733357, "FDA_Category_X_Weighted_Contribution": 0.210791, "FDA_Category_X_Top_Rank": 0.0381992, "FDA_Category_D_and_X_L1000_Similarity": 2.62607, "FDA_Category_D_and_X_Structural_Similarity": -1.06959, "FDA_Category_D_and_X_Weighted_Contribution": 0.243892, "FDA_Category_D_and_X_Top_Rank": 0.705666, "Placenta_Crossing_L1000_Similarity": 3.02364, "Placenta_Crossing_Structural_Similarity": -1.00362, "Placenta_Crossing_Weighted_Contribution": 0.373615, "Placenta_Crossing_Top_Rank": 1.02975, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC", "InChI_key": "ICMGLRUYEQNHPF-UHFFFAOYSA-N" } }, "CID:56599293": { "type": "Drug", "properties": { "id": "CID:56599293", "label": "AZD-3463", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56599293", "FDA_Category_D_L1000_Similarity": -2.26574, "FDA_Category_X_L1000_Similarity": 0.949152, "FDA_Category_D_and_X_L1000_Similarity": -1.66486, "Placenta_Crossing_L1000_Similarity": -1.54894, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:56649450": { "type": "Drug", "properties": { "id": "CID:56649450", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID56649450", "label": "alpelisib", "FDA_Category_D_L1000_Similarity": 0.448739, "FDA_Category_D_Structural_Similarity": 0.215869, "FDA_Category_D_Weighted_Contribution": 0.350331, "FDA_Category_D_Top_Rank": -0.079481, "FDA_Category_X_L1000_Similarity": 1.76779, "FDA_Category_X_Structural_Similarity": 1.2678, "FDA_Category_X_Weighted_Contribution": 2.22202, "FDA_Category_X_Top_Rank": -0.0232138, "FDA_Category_D_and_X_L1000_Similarity": 0.923663, "FDA_Category_D_and_X_Structural_Similarity": 0.855436, "FDA_Category_D_and_X_Weighted_Contribution": 1.25537, "FDA_Category_D_and_X_Top_Rank": -0.0610706, "Placenta_Crossing_L1000_Similarity": 1.12796, "Placenta_Crossing_Structural_Similarity": -0.598004, "Placenta_Crossing_Weighted_Contribution": -0.157622, "Placenta_Crossing_Top_Rank": -0.0654295, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F", "InChI_key": "STUWGJZDJHPWGZ-LBPRGKRZSA-N" } }, "CID:56654642": { "type": "Drug", "properties": { "id": "CID:56654642", "label": "RG-2833", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56654642", "FDA_Category_D_L1000_Similarity": -1.05609, "FDA_Category_D_Structural_Similarity": -0.579677, "FDA_Category_D_Weighted_Contribution": -1.016, "FDA_Category_D_Top_Rank": -0.0948406, "FDA_Category_X_L1000_Similarity": 0.478673, "FDA_Category_X_Structural_Similarity": -0.289457, "FDA_Category_X_Weighted_Contribution": -0.169192, "FDA_Category_X_Top_Rank": -0.0827729, "FDA_Category_D_and_X_L1000_Similarity": -0.765002, "FDA_Category_D_and_X_Structural_Similarity": -0.616287, "FDA_Category_D_and_X_Weighted_Contribution": -0.921228, "FDA_Category_D_and_X_Top_Rank": -0.0948998, "Placenta_Crossing_L1000_Similarity": -0.846564, "Placenta_Crossing_Structural_Similarity": 0.0645806, "Placenta_Crossing_Weighted_Contribution": -0.445463, "Placenta_Crossing_Top_Rank": -0.0808251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5666": { "type": "Drug", "properties": { "id": "CID:5666", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5666", "label": "viloxazine", "FDA_Category_D_L1000_Similarity": -0.403822, "FDA_Category_D_Structural_Similarity": -0.45361, "FDA_Category_D_Weighted_Contribution": -0.68165, "FDA_Category_D_Top_Rank": -0.0935801, "FDA_Category_X_L1000_Similarity": -0.551327, "FDA_Category_X_Structural_Similarity": 0.632956, "FDA_Category_X_Weighted_Contribution": 0.232043, "FDA_Category_X_Top_Rank": -0.0563392, "FDA_Category_D_and_X_L1000_Similarity": -0.515523, "FDA_Category_D_and_X_Structural_Similarity": -0.0184962, "FDA_Category_D_and_X_Weighted_Contribution": -0.395452, "FDA_Category_D_and_X_Top_Rank": -0.0867032, "Placenta_Crossing_L1000_Similarity": -0.79055, "Placenta_Crossing_Structural_Similarity": -0.627002, "Placenta_Crossing_Weighted_Contribution": -0.918257, "Placenta_Crossing_Top_Rank": -0.0907603, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=CC=C1OCC2CNCCO2", "InChI_key": "YWPHCCPCQOJSGZ-UHFFFAOYSA-N" } }, "CID:56962337": { "type": "Drug", "properties": { "id": "CID:56962337", "label": "SGC-0946", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56962337", "FDA_Category_D_L1000_Similarity": 0.545845, "FDA_Category_D_Structural_Similarity": -0.211114, "FDA_Category_D_Weighted_Contribution": -0.0127379, "FDA_Category_D_Top_Rank": -0.0840603, "FDA_Category_X_L1000_Similarity": 1.81521, "FDA_Category_X_Structural_Similarity": -0.548886, "FDA_Category_X_Weighted_Contribution": 0.234506, "FDA_Category_X_Top_Rank": -0.0168357, "FDA_Category_D_and_X_L1000_Similarity": 1.02177, "FDA_Category_D_and_X_Structural_Similarity": -0.463741, "FDA_Category_D_and_X_Weighted_Contribution": -0.0346848, "FDA_Category_D_and_X_Top_Rank": -0.0678171, "Placenta_Crossing_L1000_Similarity": 0.951565, "Placenta_Crossing_Structural_Similarity": -0.752719, "Placenta_Crossing_Weighted_Contribution": -0.36795, "Placenta_Crossing_Top_Rank": -0.0721424, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5702076": { "type": "Drug", "properties": { "id": "CID:5702076", "label": "isoxsuprine", "lsm": "LSM-1346", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702076", "FDA_Category_D_L1000_Similarity": 0.616239, "FDA_Category_D_Structural_Similarity": -0.849615, "FDA_Category_D_Weighted_Contribution": -0.529291, "FDA_Category_D_Top_Rank": -0.0821587, "FDA_Category_X_L1000_Similarity": 0.949424, "FDA_Category_X_Structural_Similarity": -0.114479, "FDA_Category_X_Weighted_Contribution": 0.23571, "FDA_Category_X_Top_Rank": -0.0729419, "FDA_Category_D_and_X_L1000_Similarity": 0.81953, "FDA_Category_D_and_X_Structural_Similarity": -0.736123, "FDA_Category_D_and_X_Weighted_Contribution": -0.370325, "FDA_Category_D_and_X_Top_Rank": -0.077003, "Placenta_Crossing_L1000_Similarity": 1.38953, "Placenta_Crossing_Structural_Similarity": 1.86058, "Placenta_Crossing_Weighted_Contribution": 2.483, "Placenta_Crossing_Top_Rank": 0.0168819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O", "InChI_key": "BMUKKTUHUDJSNZ-JRSKDTKFSA-N" } }, "CID:5702094": { "type": "Drug", "properties": { "id": "CID:5702094", "label": "norethindrone", "lsm": "LSM-1295", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702094", "FDA_Category_D_L1000_Similarity": 0.733646, "FDA_Category_X_L1000_Similarity": 0.222166, "FDA_Category_D_and_X_L1000_Similarity": 0.699886, "Placenta_Crossing_L1000_Similarity": 0.249554, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C", "InChI_key": "IMONTRJLAWHYGT-FJMAIUEKSA-N" } }, "CID:5702095": { "type": "Drug", "properties": { "id": "CID:5702095", "label": "noretynodrel", "lsm": "LSM-1237", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702095", "FDA_Category_D_L1000_Similarity": 0.728967, "FDA_Category_X_L1000_Similarity": 1.64296, "FDA_Category_D_and_X_L1000_Similarity": 1.12732, "Placenta_Crossing_L1000_Similarity": 0.813701, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4", "InChI_key": "ICTXHFFSOAJUMG-OQPPHWFISA-N" } }, "CID:5702107": { "type": "Drug", "properties": { "id": "CID:5702107", "label": "prednisolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702107", "FDA_Category_D_L1000_Similarity": 0.528248, "FDA_Category_D_Structural_Similarity": 0.20647, "FDA_Category_D_Weighted_Contribution": 0.388279, "FDA_Category_D_Top_Rank": -0.0797601, "FDA_Category_X_L1000_Similarity": -1.58597, "FDA_Category_X_Structural_Similarity": 3.05739, "FDA_Category_X_Weighted_Contribution": 2.3386, "FDA_Category_X_Top_Rank": 0.236556, "FDA_Category_D_and_X_L1000_Similarity": -0.0262701, "FDA_Category_D_and_X_Structural_Similarity": 1.81364, "FDA_Category_D_and_X_Weighted_Contribution": 1.70696, "FDA_Category_D_and_X_Top_Rank": 0.0168282, "Placenta_Crossing_L1000_Similarity": 0.944858, "Placenta_Crossing_Structural_Similarity": 3.10627, "Placenta_Crossing_Weighted_Contribution": 3.27934, "Placenta_Crossing_Top_Rank": 0.218327, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O", "InChI_key": "LRJOMUJRLNCICJ-AUGMLKDDSA-N" } }, "CID:5702265": { "type": "Drug", "properties": { "id": "CID:5702265", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702265", "label": "colforsin", "FDA_Category_D_L1000_Similarity": 0.0281772, "FDA_Category_D_Structural_Similarity": -0.269007, "FDA_Category_D_Weighted_Contribution": -0.336207, "FDA_Category_D_Top_Rank": -0.0908195, "FDA_Category_X_L1000_Similarity": -0.397054, "FDA_Category_X_Structural_Similarity": -0.354921, "FDA_Category_X_Weighted_Contribution": -0.605151, "FDA_Category_X_Top_Rank": -0.0874467, "FDA_Category_D_and_X_L1000_Similarity": -0.0962899, "FDA_Category_D_and_X_Structural_Similarity": -0.405029, "FDA_Category_D_and_X_Weighted_Contribution": -0.51554, "FDA_Category_D_and_X_Top_Rank": -0.0929661, "Placenta_Crossing_L1000_Similarity": 0.356043, "Placenta_Crossing_Structural_Similarity": -0.175373, "Placenta_Crossing_Weighted_Contribution": -0.129809, "Placenta_Crossing_Top_Rank": -0.084999, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O", "InChI_key": "OHCQJHSOBUTRHG-VDCUXWMXSA-N" } }, "CID:5707": { "type": "Drug", "properties": { "id": "CID:5707", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5707", "label": "xylazine", "FDA_Category_D_L1000_Similarity": 0.795212, "FDA_Category_D_Structural_Similarity": 2.0519, "FDA_Category_D_Weighted_Contribution": 2.49277, "FDA_Category_D_Top_Rank": 0.0568228, "FDA_Category_X_L1000_Similarity": -0.467705, "FDA_Category_X_Structural_Similarity": -0.551412, "FDA_Category_X_Weighted_Contribution": -0.781319, "FDA_Category_X_Top_Rank": -0.0899256, "FDA_Category_D_and_X_L1000_Similarity": 0.543457, "FDA_Category_D_and_X_Structural_Similarity": 1.33108, "FDA_Category_D_and_X_Weighted_Contribution": 1.5353, "FDA_Category_D_and_X_Top_Rank": -0.0285705, "Placenta_Crossing_L1000_Similarity": 0.418934, "Placenta_Crossing_Structural_Similarity": 0.169529, "Placenta_Crossing_Weighted_Contribution": 0.2257, "Placenta_Crossing_Top_Rank": -0.0785352, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC2=NCCCS2", "InChI_key": "BPICBUSOMSTKRF-UHFFFAOYSA-N" } }, "CID:5712": { "type": "Drug", "properties": { "id": "CID:5712", "label": "yc-1", "lsm": "LSM-3346", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5712", "FDA_Category_D_L1000_Similarity": 0.573447, "FDA_Category_D_Structural_Similarity": 1.49439, "FDA_Category_D_Weighted_Contribution": 1.80279, "FDA_Category_D_Top_Rank": -0.0174247, "FDA_Category_X_L1000_Similarity": -1.15617, "FDA_Category_X_Structural_Similarity": -0.0128861, "FDA_Category_X_Weighted_Contribution": -0.634968, "FDA_Category_X_Top_Rank": -0.0801173, "FDA_Category_D_and_X_L1000_Similarity": 0.143204, "FDA_Category_D_and_X_Structural_Similarity": 1.17916, "FDA_Category_D_and_X_Weighted_Contribution": 1.13349, "FDA_Category_D_and_X_Top_Rank": -0.0407672, "Placenta_Crossing_L1000_Similarity": -1.052, "Placenta_Crossing_Structural_Similarity": 0.381218, "Placenta_Crossing_Weighted_Contribution": -0.268656, "Placenta_Crossing_Top_Rank": -0.0730115, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO", "InChI_key": "OQQVFCKUDYMWGV-UHFFFAOYSA-N" } }, "CID:5719": { "type": "Drug", "properties": { "id": "CID:5719", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5719", "label": "zaleplon", "FDA_Category_D_L1000_Similarity": -0.351114, "FDA_Category_D_Structural_Similarity": -0.586577, "FDA_Category_D_Weighted_Contribution": -0.754584, "FDA_Category_D_Top_Rank": -0.0944939, "FDA_Category_X_L1000_Similarity": 0.724832, "FDA_Category_X_Structural_Similarity": -0.576578, "FDA_Category_X_Weighted_Contribution": -0.318893, "FDA_Category_X_Top_Rank": -0.0786277, "FDA_Category_D_and_X_L1000_Similarity": -0.0825483, "FDA_Category_D_and_X_Structural_Similarity": -0.776693, "FDA_Category_D_and_X_Weighted_Contribution": -0.778478, "FDA_Category_D_and_X_Top_Rank": -0.0928625, "Placenta_Crossing_L1000_Similarity": 1.63619, "Placenta_Crossing_Structural_Similarity": -0.984174, "Placenta_Crossing_Weighted_Contribution": -0.270079, "Placenta_Crossing_Top_Rank": -0.0245553, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C", "InChI_key": "HUNXMJYCHXQEGX-UHFFFAOYSA-N" } }, "CID:5720": { "type": "Drug", "properties": { "id": "CID:5720", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5720", "label": "zaltoprofen", "FDA_Category_D_L1000_Similarity": -0.344811, "FDA_Category_D_Structural_Similarity": -0.83667, "FDA_Category_D_Weighted_Contribution": -0.918648, "FDA_Category_D_Top_Rank": -0.0944691, "FDA_Category_X_L1000_Similarity": 0.344288, "FDA_Category_X_Structural_Similarity": -0.639785, "FDA_Category_X_Weighted_Contribution": -0.535734, "FDA_Category_X_Top_Rank": -0.0844538, "FDA_Category_D_and_X_L1000_Similarity": -0.192687, "FDA_Category_D_and_X_Structural_Similarity": -1.0093, "FDA_Category_D_and_X_Weighted_Contribution": -0.96477, "FDA_Category_D_and_X_Top_Rank": -0.0935899, "Placenta_Crossing_L1000_Similarity": 0.272745, "Placenta_Crossing_Structural_Similarity": -0.535292, "Placenta_Crossing_Weighted_Contribution": -0.471083, "Placenta_Crossing_Top_Rank": -0.0859579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O", "InChI_key": "MUXFZBHBYYYLTH-UHFFFAOYSA-N" } }, "CID:5742832": { "type": "Drug", "properties": { "id": "CID:5742832", "label": "aztreonam", "lsm": "LSM-5301", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5742832", "FDA_Category_D_L1000_Similarity": 0.129987, "FDA_Category_D_Structural_Similarity": -0.34608, "FDA_Category_D_Weighted_Contribution": -0.350991, "FDA_Category_D_Top_Rank": -0.0909604, "FDA_Category_X_L1000_Similarity": 0.160442, "FDA_Category_X_Structural_Similarity": -0.454596, "FDA_Category_X_Weighted_Contribution": -0.458191, "FDA_Category_X_Top_Rank": -0.0863146, "FDA_Category_D_and_X_L1000_Similarity": 0.160771, "FDA_Category_D_and_X_Structural_Similarity": -0.519986, "FDA_Category_D_and_X_Weighted_Contribution": -0.492924, "FDA_Category_D_and_X_Top_Rank": -0.090695, "Placenta_Crossing_L1000_Similarity": 0.560786, "Placenta_Crossing_Structural_Similarity": -0.121039, "Placenta_Crossing_Weighted_Contribution": 0.0155735, "Placenta_Crossing_Top_Rank": -0.0818727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N", "InChI_key": "WZPBZJONDBGPKJ-VEHQQRBSSA-N" } }, "CID:5770": { "type": "Drug", "properties": { "id": "CID:5770", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5770", "label": "reserpine", "FDA_Category_D_L1000_Similarity": -0.963122, "FDA_Category_D_Structural_Similarity": 1.21522, "FDA_Category_D_Weighted_Contribution": 0.528519, "FDA_Category_D_Top_Rank": -0.0395395, "FDA_Category_X_L1000_Similarity": 1.27786, "FDA_Category_X_Structural_Similarity": -0.0231346, "FDA_Category_X_Weighted_Contribution": 0.506439, "FDA_Category_X_Top_Rank": -0.0605617, "FDA_Category_D_and_X_L1000_Similarity": -0.442165, "FDA_Category_D_and_X_Structural_Similarity": 0.952051, "FDA_Category_D_and_X_Weighted_Contribution": 0.547261, "FDA_Category_D_and_X_Top_Rank": -0.0557852, "Placenta_Crossing_L1000_Similarity": -1.26254, "Placenta_Crossing_Structural_Similarity": -0.120427, "Placenta_Crossing_Weighted_Contribution": -0.742371, "Placenta_Crossing_Top_Rank": -0.0846108, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC", "InChI_key": "QEVHRUUCFGRFIF-MDEJGZGSSA-N" } }, "CID:5794": { "type": "Drug", "properties": { "id": "CID:5794", "label": "piperonyl butoxide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5794", "FDA_Category_D_L1000_Similarity": 0.498665, "FDA_Category_D_Structural_Similarity": 1.38013, "FDA_Category_D_Weighted_Contribution": 1.63365, "FDA_Category_D_Top_Rank": -0.0286522, "FDA_Category_X_L1000_Similarity": 0.094416, "FDA_Category_X_Structural_Similarity": -0.225311, "FDA_Category_X_Weighted_Contribution": -0.286825, "FDA_Category_X_Top_Rank": -0.085043, "FDA_Category_D_and_X_L1000_Similarity": 0.458519, "FDA_Category_D_and_X_Structural_Similarity": 0.97385, "FDA_Category_D_and_X_Weighted_Contribution": 1.1029, "FDA_Category_D_and_X_Top_Rank": -0.0547518, "Placenta_Crossing_L1000_Similarity": 0.069458, "Placenta_Crossing_Structural_Similarity": -0.617833, "Placenta_Crossing_Weighted_Contribution": -0.614028, "Placenta_Crossing_Top_Rank": -0.0877996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2", "InChI_key": "FIPWRIJSWJWJAI-UHFFFAOYSA-N" } }, "CID:57946": { "type": "Drug", "properties": { "id": "CID:57946", "label": "tenidap", "lsm": "LSM-1878", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57946", "IDG_ID": "4728", "FDA_Category_D_L1000_Similarity": 0.596374, "FDA_Category_D_Structural_Similarity": 0.0109444, "FDA_Category_D_Weighted_Contribution": 0.231046, "FDA_Category_D_Top_Rank": -0.0827397, "FDA_Category_X_L1000_Similarity": 1.12783, "FDA_Category_X_Structural_Similarity": -0.036651, "FDA_Category_X_Weighted_Contribution": 0.411262, "FDA_Category_X_Top_Rank": -0.0671002, "FDA_Category_D_and_X_L1000_Similarity": 0.856591, "FDA_Category_D_and_X_Structural_Similarity": -0.01109, "FDA_Category_D_and_X_Weighted_Contribution": 0.309523, "FDA_Category_D_and_X_Top_Rank": -0.0757789, "Placenta_Crossing_L1000_Similarity": 1.64098, "Placenta_Crossing_Structural_Similarity": 0.0300086, "Placenta_Crossing_Weighted_Contribution": 0.717801, "Placenta_Crossing_Top_Rank": -0.0234329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CSC(=C1)C(=O)C2C3=C(C=CC(=C3)Cl)N(C2=O)C(=O)N", "InChI_key": "IGPDWKCUDHIIRL-UHFFFAOYSA-N" } }, "CID:58258": { "type": "Drug", "properties": { "id": "CID:58258", "label": "rufloxacin", "lsm": "LSM-5715", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/58258", "FDA_Category_D_L1000_Similarity": 0.46248, "FDA_Category_D_Structural_Similarity": -0.0498079, "FDA_Category_D_Weighted_Contribution": 0.0945243, "FDA_Category_D_Top_Rank": -0.08598, "FDA_Category_X_L1000_Similarity": 0.877544, "FDA_Category_X_Structural_Similarity": -0.433497, "FDA_Category_X_Weighted_Contribution": -0.116832, "FDA_Category_X_Top_Rank": -0.0749985, "FDA_Category_D_and_X_L1000_Similarity": 0.665156, "FDA_Category_D_and_X_Structural_Similarity": -0.273447, "FDA_Category_D_and_X_Weighted_Contribution": -0.0434914, "FDA_Category_D_and_X_Top_Rank": -0.0820721, "Placenta_Crossing_L1000_Similarity": 0.851042, "Placenta_Crossing_Structural_Similarity": -0.229506, "Placenta_Crossing_Weighted_Contribution": 0.0520982, "Placenta_Crossing_Top_Rank": -0.0749563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F", "InChI_key": "NJCJBUHJQLFDSW-UHFFFAOYSA-N" } }, "CID:5905": { "type": "Drug", "properties": { "id": "CID:5905", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5905", "label": "idoxuridine", "FDA_Category_D_L1000_Similarity": -0.177531, "FDA_Category_X_L1000_Similarity": -0.827708, "FDA_Category_D_and_X_L1000_Similarity": -0.404397, "Placenta_Crossing_L1000_Similarity": -1.20463, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O", "InChI_key": "XQFRJNBWHJMXHO-RRKCRQDMSA-N" } }, "CID:5906": { "type": "Drug", "properties": { "id": "CID:5906", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5906", "label": "metaraminol", "FDA_Category_D_L1000_Similarity": 0.309986, "FDA_Category_D_Structural_Similarity": -0.661233, "FDA_Category_D_Weighted_Contribution": -0.52218, "FDA_Category_D_Top_Rank": -0.0886854, "FDA_Category_X_L1000_Similarity": 0.591899, "FDA_Category_X_Structural_Similarity": -0.231828, "FDA_Category_X_Weighted_Contribution": -0.0606126, "FDA_Category_X_Top_Rank": -0.0811157, "FDA_Category_D_and_X_L1000_Similarity": 0.446966, "FDA_Category_D_and_X_Structural_Similarity": -0.649923, "FDA_Category_D_and_X_Weighted_Contribution": -0.469012, "FDA_Category_D_and_X_Top_Rank": -0.0867217, "Placenta_Crossing_L1000_Similarity": 0.594076, "Placenta_Crossing_Structural_Similarity": 0.0572895, "Placenta_Crossing_Weighted_Contribution": 0.202743, "Placenta_Crossing_Top_Rank": -0.0810264, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1=CC(=CC=C1)O)O)N", "InChI_key": "WXFIGDLSSYIKKV-RCOVLWMOSA-N" } }, "CID:5912039": { "type": "Drug", "properties": { "id": "CID:5912039", "label": "huperzine-a", "lsm": "LSM-5567", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5912039", "FDA_Category_D_L1000_Similarity": 1.22156, "FDA_Category_D_Structural_Similarity": -0.812661, "FDA_Category_D_Weighted_Contribution": -0.201235, "FDA_Category_D_Top_Rank": -0.0466123, "FDA_Category_X_L1000_Similarity": 0.233321, "FDA_Category_X_Structural_Similarity": -0.388487, "FDA_Category_X_Weighted_Contribution": -0.369967, "FDA_Category_X_Top_Rank": -0.0856309, "FDA_Category_D_and_X_L1000_Similarity": 1.12386, "FDA_Category_D_and_X_Structural_Similarity": -0.854646, "FDA_Category_D_and_X_Weighted_Contribution": -0.327219, "FDA_Category_D_and_X_Top_Rank": -0.0609475, "Placenta_Crossing_L1000_Similarity": 1.37664, "Placenta_Crossing_Structural_Similarity": -0.688435, "Placenta_Crossing_Weighted_Contribution": -0.12558, "Placenta_Crossing_Top_Rank": -0.0504077, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3", "InChI_key": "ZRJBHWIHUMBLCN-QDEBKDIKSA-N" } }, "CID:59149652": { "type": "Drug", "properties": { "id": "CID:59149652", "label": "AZD-5069", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59149652", "FDA_Category_D_L1000_Similarity": -0.04008, "FDA_Category_D_Structural_Similarity": 0.726657, "FDA_Category_D_Weighted_Contribution": 0.583067, "FDA_Category_D_Top_Rank": -0.0632263, "FDA_Category_X_L1000_Similarity": 0.255397, "FDA_Category_X_Structural_Similarity": -0.376779, "FDA_Category_X_Weighted_Contribution": -0.349994, "FDA_Category_X_Top_Rank": -0.0853526, "FDA_Category_D_and_X_L1000_Similarity": 0.0430147, "FDA_Category_D_and_X_Structural_Similarity": 0.373449, "FDA_Category_D_and_X_Weighted_Contribution": 0.23906, "FDA_Category_D_and_X_Top_Rank": -0.0776029, "Placenta_Crossing_L1000_Similarity": 0.451181, "Placenta_Crossing_Structural_Similarity": -0.252594, "Placenta_Crossing_Weighted_Contribution": -0.155769, "Placenta_Crossing_Top_Rank": -0.0837584, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5921": { "type": "Drug", "properties": { "id": "CID:5921", "label": "n-nitrosodiethylamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5921", "FDA_Category_D_L1000_Similarity": 2.2429, "FDA_Category_D_Structural_Similarity": -0.66039, "FDA_Category_D_Weighted_Contribution": 0.530389, "FDA_Category_D_Top_Rank": 0.387669, "FDA_Category_X_L1000_Similarity": 0.0790849, "FDA_Category_X_Structural_Similarity": -0.768148, "FDA_Category_X_Weighted_Contribution": -0.73955, "FDA_Category_X_Top_Rank": -0.0870001, "FDA_Category_D_and_X_L1000_Similarity": 1.95743, "FDA_Category_D_and_X_Structural_Similarity": -0.93865, "FDA_Category_D_and_X_Weighted_Contribution": 0.0110764, "FDA_Category_D_and_X_Top_Rank": 0.0798179, "Placenta_Crossing_L1000_Similarity": 1.04928, "Placenta_Crossing_Structural_Similarity": 0.888319, "Placenta_Crossing_Weighted_Contribution": 1.31768, "Placenta_Crossing_Top_Rank": -0.0557236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:59227": { "type": "Drug", "properties": { "id": "CID:59227", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID59227", "label": "rotigotine", "FDA_Category_D_L1000_Similarity": 0.78396, "FDA_Category_D_Structural_Similarity": -0.312172, "FDA_Category_D_Weighted_Contribution": 0.0235331, "FDA_Category_D_Top_Rank": -0.0766447, "FDA_Category_X_L1000_Similarity": 1.05524, "FDA_Category_X_Structural_Similarity": -0.454257, "FDA_Category_X_Weighted_Contribution": -0.0515071, "FDA_Category_X_Top_Rank": -0.0696478, "FDA_Category_D_and_X_L1000_Similarity": 0.996243, "FDA_Category_D_and_X_Structural_Similarity": -0.49289, "FDA_Category_D_and_X_Weighted_Contribution": -0.0743253, "FDA_Category_D_and_X_Top_Rank": -0.0693666, "Placenta_Crossing_L1000_Similarity": 0.465606, "Placenta_Crossing_Structural_Similarity": -0.576923, "Placenta_Crossing_Weighted_Contribution": -0.425952, "Placenta_Crossing_Top_Rank": -0.0835275, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O", "InChI_key": "KFQYTPMOWPVWEJ-INIZCTEOSA-N" } }, "CID:5941539": { "type": "Drug", "properties": { "id": "CID:5941539", "label": "su-1498", "lsm": "LSM-2763", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5941539", "FDA_Category_D_L1000_Similarity": -0.218008, "FDA_Category_D_Structural_Similarity": -0.224623, "FDA_Category_D_Weighted_Contribution": -0.419614, "FDA_Category_D_Top_Rank": -0.0900152, "FDA_Category_X_L1000_Similarity": 0.672739, "FDA_Category_X_Structural_Similarity": -0.426555, "FDA_Category_X_Weighted_Contribution": -0.206374, "FDA_Category_X_Top_Rank": -0.0797025, "FDA_Category_D_and_X_L1000_Similarity": 0.016377, "FDA_Category_D_and_X_Structural_Similarity": -0.408454, "FDA_Category_D_and_X_Weighted_Contribution": -0.468937, "FDA_Category_D_and_X_Top_Rank": -0.0920581, "Placenta_Crossing_L1000_Similarity": -0.920836, "Placenta_Crossing_Structural_Similarity": -0.0789477, "Placenta_Crossing_Weighted_Contribution": -0.586674, "Placenta_Crossing_Top_Rank": -0.0837897, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)NCCCC2=CC=CC=C2", "InChI_key": "JANPYFTYAGTSIN-FYJGNVAPSA-N" } }, "CID:59473233": { "type": "Drug", "properties": { "id": "CID:59473233", "label": "entospletinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59473233", "FDA_Category_D_L1000_Similarity": 0.561043, "FDA_Category_D_Structural_Similarity": -0.308458, "FDA_Category_D_Weighted_Contribution": -0.0949975, "FDA_Category_D_Top_Rank": -0.0836989, "FDA_Category_X_L1000_Similarity": 1.9665, "FDA_Category_X_Structural_Similarity": -0.659734, "FDA_Category_X_Weighted_Contribution": 0.198324, "FDA_Category_X_Top_Rank": 0.00645471, "FDA_Category_D_and_X_L1000_Similarity": 1.08082, "FDA_Category_D_and_X_Structural_Similarity": -0.600817, "FDA_Category_D_and_X_Weighted_Contribution": -0.128778, "FDA_Category_D_and_X_Top_Rank": -0.0641944, "Placenta_Crossing_L1000_Similarity": 1.2184, "Placenta_Crossing_Structural_Similarity": -1.03928, "Placenta_Crossing_Weighted_Contribution": -0.490289, "Placenta_Crossing_Top_Rank": -0.0608276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6", "InChI_key": "XSMSNFMDVXXHGJ-UHFFFAOYSA-N" } }, "CID:5962587": { "type": "Drug", "properties": { "id": "CID:5962587", "label": "triacetylresveratrol", "lsm": "LSM-24945", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5962587", "FDA_Category_D_L1000_Similarity": 0.451515, "FDA_Category_D_Structural_Similarity": -0.323466, "FDA_Category_D_Weighted_Contribution": -0.166989, "FDA_Category_D_Top_Rank": -0.0862124, "FDA_Category_X_L1000_Similarity": -0.60278, "FDA_Category_X_Structural_Similarity": 2.76126, "FDA_Category_X_Weighted_Contribution": 2.53721, "FDA_Category_X_Top_Rank": 0.155272, "FDA_Category_D_and_X_L1000_Similarity": 0.206176, "FDA_Category_D_and_X_Structural_Similarity": 1.23323, "FDA_Category_D_and_X_Weighted_Contribution": 1.22923, "FDA_Category_D_and_X_Top_Rank": -0.037045, "Placenta_Crossing_L1000_Similarity": 0.810315, "Placenta_Crossing_Structural_Similarity": 1.30503, "Placenta_Crossing_Weighted_Contribution": 1.63471, "Placenta_Crossing_Top_Rank": -0.0326128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5983": { "type": "Drug", "properties": { "id": "CID:5983", "label": "physostigmine", "lsm": "LSM-5037", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5983", "IDG_ID": "2159", "FDA_Category_D_L1000_Similarity": 0.521396, "FDA_Category_D_Structural_Similarity": 0.561114, "FDA_Category_D_Weighted_Contribution": 0.756707, "FDA_Category_D_Top_Rank": -0.0689508, "FDA_Category_X_L1000_Similarity": 0.93128, "FDA_Category_X_Structural_Similarity": 0.452117, "FDA_Category_X_Weighted_Contribution": 0.839495, "FDA_Category_X_Top_Rank": -0.0637923, "FDA_Category_D_and_X_L1000_Similarity": 0.73226, "FDA_Category_D_and_X_Structural_Similarity": 0.689324, "FDA_Category_D_and_X_Weighted_Contribution": 0.962821, "FDA_Category_D_and_X_Top_Rank": -0.0674899, "Placenta_Crossing_L1000_Similarity": 1.84635, "Placenta_Crossing_Structural_Similarity": 0.298046, "Placenta_Crossing_Weighted_Contribution": 1.1167, "Placenta_Crossing_Top_Rank": 0.00784599, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C", "InChI_key": "PIJVFDBKTWXHHD-HIFRSBDPSA-N" } }, "CID:6001": { "type": "Drug", "properties": { "id": "CID:6001", "label": "DMBA", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6001", "FDA_Category_D_L1000_Similarity": 1.2739, "FDA_Category_D_Structural_Similarity": -0.976961, "FDA_Category_D_Weighted_Contribution": -0.317863, "FDA_Category_D_Top_Rank": -0.0405104, "FDA_Category_X_L1000_Similarity": 0.599678, "FDA_Category_X_Structural_Similarity": -0.614436, "FDA_Category_X_Weighted_Contribution": -0.406987, "FDA_Category_X_Top_Rank": -0.0809891, "FDA_Category_D_and_X_L1000_Similarity": 1.28023, "FDA_Category_D_and_X_Structural_Similarity": -1.10697, "FDA_Category_D_and_X_Weighted_Contribution": -0.461076, "FDA_Category_D_and_X_Top_Rank": -0.0485665, "Placenta_Crossing_L1000_Similarity": 0.592893, "Placenta_Crossing_Structural_Similarity": -1.04042, "Placenta_Crossing_Weighted_Contribution": -0.727521, "Placenta_Crossing_Top_Rank": -0.0811581, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60149": { "type": "Drug", "properties": { "id": "CID:60149", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60149", "label": "sertindole", "FDA_Category_D_L1000_Similarity": -1.66207, "FDA_Category_D_Structural_Similarity": -0.902901, "FDA_Category_D_Weighted_Contribution": -1.35728, "FDA_Category_D_Top_Rank": -0.0968178, "FDA_Category_X_L1000_Similarity": 1.30788, "FDA_Category_X_Structural_Similarity": -0.745943, "FDA_Category_X_Weighted_Contribution": -0.207819, "FDA_Category_X_Top_Rank": -0.0585489, "FDA_Category_D_and_X_L1000_Similarity": -1.03556, "FDA_Category_D_and_X_Structural_Similarity": -1.11915, "FDA_Category_D_and_X_Weighted_Contribution": -1.26755, "FDA_Category_D_and_X_Top_Rank": -0.0962704, "Placenta_Crossing_L1000_Similarity": -1.24575, "Placenta_Crossing_Structural_Similarity": -1.08357, "Placenta_Crossing_Weighted_Contribution": -1.28499, "Placenta_Crossing_Top_Rank": -0.0920683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O", "InChI_key": "GZKLJWGUPQBVJQ-UHFFFAOYSA-N" } }, "CID:60189878": { "type": "Drug", "properties": { "id": "CID:60189878", "label": "SA-1939936", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60189878", "FDA_Category_D_L1000_Similarity": 0.37434, "FDA_Category_D_Structural_Similarity": 1.81204, "FDA_Category_D_Weighted_Contribution": 2.01341, "FDA_Category_D_Top_Rank": 0.0203601, "FDA_Category_X_L1000_Similarity": 0.381758, "FDA_Category_X_Structural_Similarity": -0.640595, "FDA_Category_X_Weighted_Contribution": -0.521001, "FDA_Category_X_Top_Rank": -0.0839834, "FDA_Category_D_and_X_L1000_Similarity": 0.438621, "FDA_Category_D_and_X_Structural_Similarity": 1.09258, "FDA_Category_D_and_X_Weighted_Contribution": 1.21814, "FDA_Category_D_and_X_Top_Rank": -0.0467506, "Placenta_Crossing_L1000_Similarity": 0.473893, "Placenta_Crossing_Structural_Similarity": 0.983021, "Placenta_Crossing_Weighted_Contribution": 1.1045, "Placenta_Crossing_Top_Rank": -0.0510767, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6041": { "type": "Drug", "properties": { "id": "CID:6041", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6041", "label": "phenylephrine", "FDA_Category_D_L1000_Similarity": -0.0229127, "FDA_Category_D_Structural_Similarity": -0.698905, "FDA_Category_D_Weighted_Contribution": -0.697785, "FDA_Category_D_Top_Rank": -0.0923781, "FDA_Category_X_L1000_Similarity": 0.927422, "FDA_Category_X_Structural_Similarity": -0.192345, "FDA_Category_X_Weighted_Contribution": 0.144691, "FDA_Category_X_Top_Rank": -0.0736381, "FDA_Category_D_and_X_L1000_Similarity": 0.261893, "FDA_Category_D_and_X_Structural_Similarity": -0.658519, "FDA_Category_D_and_X_Weighted_Contribution": -0.555857, "FDA_Category_D_and_X_Top_Rank": -0.089485, "Placenta_Crossing_L1000_Similarity": 1.38903, "Placenta_Crossing_Structural_Similarity": 2.75069, "Placenta_Crossing_Weighted_Contribution": 3.19346, "Placenta_Crossing_Top_Rank": 0.14021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCC(C1=CC(=CC=C1)O)O", "InChI_key": "SONNWYBIRXJNDC-VIFPVBQESA-N" } }, "CID:6047": { "type": "Drug", "properties": { "id": "CID:6047", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6047", "label": "levodopa", "FDA_Category_D_L1000_Similarity": -0.11094, "FDA_Category_D_Structural_Similarity": 0.664078, "FDA_Category_D_Weighted_Contribution": 0.474205, "FDA_Category_D_Top_Rank": -0.0653777, "FDA_Category_X_L1000_Similarity": 0.530911, "FDA_Category_X_Structural_Similarity": -0.278148, "FDA_Category_X_Weighted_Contribution": -0.133986, "FDA_Category_X_Top_Rank": -0.0820971, "FDA_Category_D_and_X_L1000_Similarity": 0.0656066, "FDA_Category_D_and_X_Structural_Similarity": 0.377, "FDA_Category_D_and_X_Weighted_Contribution": 0.254951, "FDA_Category_D_and_X_Top_Rank": -0.0774897, "Placenta_Crossing_L1000_Similarity": 0.0296014, "Placenta_Crossing_Structural_Similarity": 0.156676, "Placenta_Crossing_Weighted_Contribution": 0.0233063, "Placenta_Crossing_Top_Rank": -0.0787144, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1CC(C(=O)O)N)O)O", "InChI_key": "WTDRDQBEARUVNC-LURJTMIESA-N" } }, "CID:60703": { "type": "Drug", "properties": { "id": "CID:60703", "label": "eliprodil", "lsm": "LSM-1677", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60703", "FDA_Category_D_L1000_Similarity": -0.106266, "FDA_Category_D_Structural_Similarity": -0.892161, "FDA_Category_D_Weighted_Contribution": -0.864475, "FDA_Category_D_Top_Rank": -0.0930679, "FDA_Category_X_L1000_Similarity": -0.611199, "FDA_Category_X_Structural_Similarity": -0.654771, "FDA_Category_X_Weighted_Contribution": -0.904049, "FDA_Category_X_Top_Rank": -0.0903957, "FDA_Category_D_and_X_L1000_Similarity": -0.277207, "FDA_Category_D_and_X_Structural_Similarity": -1.06143, "FDA_Category_D_and_X_Weighted_Contribution": -1.02254, "FDA_Category_D_and_X_Top_Rank": -0.0940854, "Placenta_Crossing_L1000_Similarity": 0.829206, "Placenta_Crossing_Structural_Similarity": -0.894104, "Placenta_Crossing_Weighted_Contribution": -0.531137, "Placenta_Crossing_Top_Rank": -0.0754789, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O", "InChI_key": "GGUSQTSTQSHJAH-UHFFFAOYSA-N" } }, "CID:60753": { "type": "Drug", "properties": { "id": "CID:60753", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60753", "label": "ibutilide", "FDA_Category_D_L1000_Similarity": 0.662769, "FDA_Category_D_Structural_Similarity": -0.0459668, "FDA_Category_D_Weighted_Contribution": 0.21313, "FDA_Category_D_Top_Rank": -0.0808311, "FDA_Category_X_L1000_Similarity": 2.7666, "FDA_Category_X_Structural_Similarity": 1.08095, "FDA_Category_X_Weighted_Contribution": 2.5429, "FDA_Category_X_Top_Rank": 0.335574, "FDA_Category_D_and_X_L1000_Similarity": 1.41148, "FDA_Category_D_and_X_Structural_Similarity": 0.546791, "FDA_Category_D_and_X_Weighted_Contribution": 1.21767, "FDA_Category_D_and_X_Top_Rank": -0.0351727, "Placenta_Crossing_L1000_Similarity": 0.639785, "Placenta_Crossing_Structural_Similarity": 0.512034, "Placenta_Crossing_Weighted_Contribution": 0.690463, "Placenta_Crossing_Top_Rank": -0.0691044, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O", "InChI_key": "ALOBUEHUHMBRLE-UHFFFAOYSA-N" } }, "CID:6077": { "type": "Drug", "properties": { "id": "CID:6077", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6077", "label": "acepromazine", "ref": "LSM-4609", "FDA_Category_D_L1000_Similarity": 0.137777, "FDA_Category_D_Structural_Similarity": -0.18862, "FDA_Category_D_Weighted_Contribution": -0.210658, "FDA_Category_D_Top_Rank": -0.0892544, "FDA_Category_X_L1000_Similarity": 1.62641, "FDA_Category_X_Structural_Similarity": -0.446234, "FDA_Category_X_Weighted_Contribution": 0.242962, "FDA_Category_X_Top_Rank": -0.0374792, "FDA_Category_D_and_X_L1000_Similarity": 0.612671, "FDA_Category_D_and_X_Structural_Similarity": -0.390496, "FDA_Category_D_and_X_Weighted_Contribution": -0.174953, "FDA_Category_D_and_X_Top_Rank": -0.083182, "Placenta_Crossing_L1000_Similarity": 0.774973, "Placenta_Crossing_Structural_Similarity": 1.88458, "Placenta_Crossing_Weighted_Contribution": 2.21048, "Placenta_Crossing_Top_Rank": 0.0201592, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C", "InChI_key": "NOSIYYJFMPDDSA-UHFFFAOYSA-N" } }, "CID:60773": { "type": "Drug", "properties": { "id": "CID:60773", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60773", "label": "valaciclovir", "FDA_Category_D_L1000_Similarity": 0.453837, "FDA_Category_D_Structural_Similarity": 0.110262, "FDA_Category_D_Weighted_Contribution": 0.246848, "FDA_Category_D_Top_Rank": -0.0822579, "FDA_Category_X_L1000_Similarity": 0.476549, "FDA_Category_X_Structural_Similarity": -0.726991, "FDA_Category_X_Weighted_Contribution": -0.55288, "FDA_Category_X_Top_Rank": -0.0828026, "FDA_Category_D_and_X_L1000_Similarity": 0.535935, "FDA_Category_D_and_X_Structural_Similarity": -0.304765, "FDA_Category_D_and_X_Weighted_Contribution": -0.13715, "FDA_Category_D_and_X_Top_Rank": -0.0849926, "Placenta_Crossing_L1000_Similarity": 0.255703, "Placenta_Crossing_Structural_Similarity": 3.25806, "Placenta_Crossing_Weighted_Contribution": 3.14707, "Placenta_Crossing_Top_Rank": 0.272549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N", "InChI_key": "HDOVUKNUBWVHOX-QMMMGPOBSA-N" } }, "CID:60835": { "type": "Drug", "properties": { "id": "CID:60835", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60835", "label": "duloxetine", "FDA_Category_D_L1000_Similarity": -1.30154, "FDA_Category_D_Structural_Similarity": -0.864814, "FDA_Category_D_Weighted_Contribution": -1.24483, "FDA_Category_D_Top_Rank": -0.0966217, "FDA_Category_X_L1000_Similarity": 2.16566, "FDA_Category_X_Structural_Similarity": -0.0298064, "FDA_Category_X_Weighted_Contribution": 0.992596, "FDA_Category_X_Top_Rank": 0.0439023, "FDA_Category_D_and_X_L1000_Similarity": -0.464283, "FDA_Category_D_and_X_Structural_Similarity": -0.702498, "FDA_Category_D_and_X_Weighted_Contribution": -0.869857, "FDA_Category_D_and_X_Top_Rank": -0.0949343, "Placenta_Crossing_L1000_Similarity": -1.03377, "Placenta_Crossing_Structural_Similarity": -0.988692, "Placenta_Crossing_Weighted_Contribution": -1.18921, "Placenta_Crossing_Top_Rank": -0.0918637, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32", "InChI_key": "ZEUITGRIYCTCEM-KRWDZBQOSA-N" } }, "CID:60852": { "type": "Drug", "properties": { "id": "CID:60852", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60852", "label": "ibandronate", "FDA_Category_D_L1000_Similarity": 0.0513136, "FDA_Category_D_Structural_Similarity": 2.04243, "FDA_Category_D_Weighted_Contribution": 2.05584, "FDA_Category_D_Top_Rank": 0.0546257, "FDA_Category_X_L1000_Similarity": 0.0871816, "FDA_Category_X_Structural_Similarity": 1.10489, "FDA_Category_X_Weighted_Contribution": 1.10004, "FDA_Category_X_Top_Rank": -0.0357432, "FDA_Category_D_and_X_L1000_Similarity": 0.0707113, "FDA_Category_D_and_X_Structural_Similarity": 2.2173, "FDA_Category_D_and_X_Weighted_Contribution": 2.17016, "FDA_Category_D_and_X_Top_Rank": 0.0648468, "Placenta_Crossing_L1000_Similarity": -0.0724694, "Placenta_Crossing_Structural_Similarity": -0.494954, "Placenta_Crossing_Weighted_Contribution": -0.5758, "Placenta_Crossing_Top_Rank": -0.0887946, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "MPBVHIBUJCELCL-UHFFFAOYSA-N" } }, "CID:60923": { "type": "Drug", "properties": { "id": "CID:60923", "label": "quiflapon", "lsm": "LSM-6242", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60923", "FDA_Category_D_L1000_Similarity": -0.0587455, "FDA_Category_D_Structural_Similarity": -0.717994, "FDA_Category_D_Weighted_Contribution": -0.726508, "FDA_Category_D_Top_Rank": -0.0926909, "FDA_Category_X_L1000_Similarity": 0.300391, "FDA_Category_X_Structural_Similarity": -0.420832, "FDA_Category_X_Weighted_Contribution": -0.368902, "FDA_Category_X_Top_Rank": -0.0849343, "FDA_Category_D_and_X_L1000_Similarity": 0.0405888, "FDA_Category_D_and_X_Structural_Similarity": -0.796961, "FDA_Category_D_and_X_Weighted_Contribution": -0.745355, "FDA_Category_D_and_X_Top_Rank": -0.0918548, "Placenta_Crossing_L1000_Similarity": -0.20238, "Placenta_Crossing_Structural_Similarity": -0.968729, "Placenta_Crossing_Weighted_Contribution": -0.944967, "Placenta_Crossing_Top_Rank": -0.0896024, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O", "InChI_key": "NZOONKHCNQFYCI-UHFFFAOYSA-N" } }, "CID:6093": { "type": "Drug", "properties": { "id": "CID:6093", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6093", "label": "niridazole", "FDA_Category_D_L1000_Similarity": 0.149912, "FDA_Category_D_Structural_Similarity": -0.171916, "FDA_Category_D_Weighted_Contribution": -0.18946, "FDA_Category_D_Top_Rank": -0.0889178, "FDA_Category_X_L1000_Similarity": 1.57036, "FDA_Category_X_Structural_Similarity": -0.764555, "FDA_Category_X_Weighted_Contribution": -0.101957, "FDA_Category_X_Top_Rank": -0.0421508, "FDA_Category_D_and_X_L1000_Similarity": 0.606112, "FDA_Category_D_and_X_Structural_Similarity": -0.549002, "FDA_Category_D_and_X_Weighted_Contribution": -0.314326, "FDA_Category_D_and_X_Top_Rank": -0.0833252, "Placenta_Crossing_L1000_Similarity": 1.42469, "Placenta_Crossing_Structural_Similarity": -0.415023, "Placenta_Crossing_Weighted_Contribution": 0.153127, "Placenta_Crossing_Top_Rank": -0.0466583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-]", "InChI_key": "RDXLYGJSWZYTFJ-UHFFFAOYSA-N" } }, "CID:60943": { "type": "Drug", "properties": { "id": "CID:60943", "label": "relcovaptan", "lsm": "LSM-4185", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60943", "FDA_Category_D_L1000_Similarity": 1.27012, "FDA_Category_D_Structural_Similarity": 2.04509, "FDA_Category_D_Weighted_Contribution": 2.73677, "FDA_Category_D_Top_Rank": 0.0554972, "FDA_Category_X_L1000_Similarity": -0.673122, "FDA_Category_X_Structural_Similarity": -0.685273, "FDA_Category_X_Weighted_Contribution": -0.945037, "FDA_Category_X_Top_Rank": -0.0905781, "FDA_Category_D_and_X_L1000_Similarity": 0.890451, "FDA_Category_D_and_X_Structural_Similarity": 1.25344, "FDA_Category_D_and_X_Weighted_Contribution": 1.6585, "FDA_Category_D_and_X_Top_Rank": -0.0351727, "Placenta_Crossing_L1000_Similarity": 0.995238, "Placenta_Crossing_Structural_Similarity": -0.994932, "Placenta_Crossing_Weighted_Contribution": -0.543953, "Placenta_Crossing_Top_Rank": -0.0706148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCCC5C(=O)N)OC", "InChI_key": "CEBYCSRFKCEUSW-NAYZPBBASA-N" } }, "CID:60947": { "type": "Drug", "properties": { "id": "CID:60947", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60947", "label": "tirofiban", "FDA_Category_D_L1000_Similarity": 1.38923, "FDA_Category_D_Structural_Similarity": -0.301711, "FDA_Category_D_Weighted_Contribution": 0.384176, "FDA_Category_D_Top_Rank": -0.0257412, "FDA_Category_X_L1000_Similarity": 0.512258, "FDA_Category_X_Structural_Similarity": 0.144358, "FDA_Category_X_Weighted_Contribution": 0.277305, "FDA_Category_X_Top_Rank": -0.0755308, "FDA_Category_D_and_X_L1000_Similarity": 1.3531, "FDA_Category_D_and_X_Structural_Similarity": -0.161577, "FDA_Category_D_and_X_Weighted_Contribution": 0.437711, "FDA_Category_D_and_X_Top_Rank": -0.042154, "Placenta_Crossing_L1000_Similarity": 1.86946, "Placenta_Crossing_Structural_Similarity": 1.02688, "Placenta_Crossing_Weighted_Contribution": 1.90627, "Placenta_Crossing_Top_Rank": 0.0149537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O", "InChI_key": "COKMIXFXJJXBQG-NRFANRHFSA-N" } }, "CID:6128": { "type": "Drug", "properties": { "id": "CID:6128", "label": "androstenedione", "ref": "LSM-5464", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6128", "FDA_Category_D_L1000_Similarity": 1.02499, "FDA_Category_D_Structural_Similarity": 1.77479, "FDA_Category_D_Weighted_Contribution": 2.35741, "FDA_Category_D_Top_Rank": 0.016501, "FDA_Category_X_L1000_Similarity": 2.66577, "FDA_Category_X_Structural_Similarity": 4.10552, "FDA_Category_X_Weighted_Contribution": 4.31084, "FDA_Category_X_Top_Rank": 0.605829, "FDA_Category_D_and_X_L1000_Similarity": 1.69311, "FDA_Category_D_and_X_Structural_Similarity": 3.624, "FDA_Category_D_and_X_Weighted_Contribution": 3.75156, "FDA_Category_D_and_X_Top_Rank": 0.47114, "Placenta_Crossing_L1000_Similarity": 1.27327, "Placenta_Crossing_Structural_Similarity": 0.36718, "Placenta_Crossing_Weighted_Contribution": 0.878131, "Placenta_Crossing_Top_Rank": -0.0575214, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C", "InChI_key": "AEMFNILZOJDQLW-QAGGRKNESA-N" } }, "CID:6173479": { "type": "Drug", "properties": { "id": "CID:6173479", "label": "mw-stk33-4a", "lsm": "LSM-4802", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6173479", "FDA_Category_D_L1000_Similarity": -0.270005, "FDA_Category_X_L1000_Similarity": 0.936045, "FDA_Category_D_and_X_L1000_Similarity": 0.0515015, "Placenta_Crossing_L1000_Similarity": 0.69512, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=CC(=O)C3=CC=C(C=C3)OCC(=O)O", "InChI_key": "ILGKLUQMYOATNU-NTCAYCPXSA-N" } }, "CID:6194": { "type": "Drug", "properties": { "id": "CID:6194", "label": "uracil mustard", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6194", "FDA_Category_D_L1000_Similarity": 0.630344, "FDA_Category_X_L1000_Similarity": -1.32788, "FDA_Category_D_and_X_L1000_Similarity": 0.140115, "Placenta_Crossing_L1000_Similarity": -1.67585, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl", "InChI_key": "IDPUKCWIGUEADI-UHFFFAOYSA-N" } }, "CID:6196": { "type": "Drug", "properties": { "id": "CID:6196", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6196", "label": "oxacillin", "ref": "LSM-6005", "FDA_Category_D_L1000_Similarity": 0.245669, "FDA_Category_X_L1000_Similarity": -0.358513, "FDA_Category_D_and_X_L1000_Similarity": 0.102896, "Placenta_Crossing_L1000_Similarity": 0.71895, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O", "InChI_key": "UWYHMGVUTGAWSP-JKIFEVAISA-N" } }, "CID:62389": { "type": "Drug", "properties": { "id": "CID:62389", "label": "6-benzylaminopurine", "lsm": "LSM-3396", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/62389", "FDA_Category_D_L1000_Similarity": 0.420487, "FDA_Category_D_Structural_Similarity": -0.599049, "FDA_Category_D_Weighted_Contribution": -0.420052, "FDA_Category_D_Top_Rank": -0.0868134, "FDA_Category_X_L1000_Similarity": -0.874268, "FDA_Category_X_Structural_Similarity": -0.687333, "FDA_Category_X_Weighted_Contribution": -1.01111, "FDA_Category_X_Top_Rank": -0.0910463, "FDA_Category_D_and_X_L1000_Similarity": 0.0969697, "FDA_Category_D_and_X_Structural_Similarity": -0.846355, "FDA_Category_D_and_X_Weighted_Contribution": -0.757515, "FDA_Category_D_and_X_Top_Rank": -0.0913632, "Placenta_Crossing_L1000_Similarity": 0.181778, "Placenta_Crossing_Structural_Similarity": -0.817588, "Placenta_Crossing_Weighted_Contribution": -0.717487, "Placenta_Crossing_Top_Rank": -0.0867634, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3", "InChI_key": "NWBJYWHLCVSVIJ-UHFFFAOYSA-N" } }, "CID:6280": { "type": "Drug", "properties": { "id": "CID:6280", "label": "veratridine", "lsm": "LSM-3354", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6280", "FDA_Category_D_L1000_Similarity": 0.827702, "FDA_Category_D_Structural_Similarity": 1.14532, "FDA_Category_D_Weighted_Contribution": 1.58815, "FDA_Category_D_Top_Rank": -0.0431904, "FDA_Category_X_L1000_Similarity": 1.78858, "FDA_Category_X_Structural_Similarity": 0.46386, "FDA_Category_X_Weighted_Contribution": 1.33997, "FDA_Category_X_Top_Rank": -0.0208746, "FDA_Category_D_and_X_L1000_Similarity": 1.25665, "FDA_Category_D_and_X_Structural_Similarity": 1.15935, "FDA_Category_D_and_X_Weighted_Contribution": 1.77443, "FDA_Category_D_and_X_Top_Rank": -0.0419597, "Placenta_Crossing_L1000_Similarity": 1.02, "Placenta_Crossing_Structural_Similarity": -0.0195676, "Placenta_Crossing_Weighted_Contribution": 0.340937, "Placenta_Crossing_Top_Rank": -0.0697671, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O", "InChI_key": "FVECELJHCSPHKY-YFUMOZOISA-N" } }, "CID:6303": { "type": "Drug", "properties": { "id": "CID:6303", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6303", "label": "cordycepin", "FDA_Category_D_L1000_Similarity": 0.52096, "FDA_Category_X_L1000_Similarity": 2.10211, "FDA_Category_D_and_X_L1000_Similarity": 1.08745, "Placenta_Crossing_L1000_Similarity": 0.963351, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO", "InChI_key": "OFEZSBMBBKLLBJ-BAJZRUMYSA-N" } }, "CID:6321414": { "type": "Drug", "properties": { "id": "CID:6321414", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6321414", "label": "cefpodoxime", "FDA_Category_D_L1000_Similarity": -0.424042, "FDA_Category_D_Structural_Similarity": -0.0156758, "FDA_Category_D_Weighted_Contribution": -0.345941, "FDA_Category_D_Top_Rank": -0.0855278, "FDA_Category_X_L1000_Similarity": -0.0477844, "FDA_Category_X_Structural_Similarity": -0.305951, "FDA_Category_X_Weighted_Contribution": -0.420329, "FDA_Category_X_Top_Rank": -0.0866216, "FDA_Category_D_and_X_L1000_Similarity": -0.380036, "FDA_Category_D_and_X_Structural_Similarity": -0.177532, "FDA_Category_D_and_X_Weighted_Contribution": -0.462064, "FDA_Category_D_and_X_Top_Rank": -0.0898525, "Placenta_Crossing_L1000_Similarity": 0.814846, "Placenta_Crossing_Structural_Similarity": -0.0781885, "Placenta_Crossing_Weighted_Contribution": 0.179806, "Placenta_Crossing_Top_Rank": -0.075886, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC", "InChI_key": "LTINZAODLRIQIX-ZFEISNGRSA-N" } }, "CID:6328608": { "type": "Drug", "properties": { "id": "CID:6328608", "label": "abacavir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6328608", "drugcentral_id": "34", "smiles": "NC1=NC(NC2CC2)=C2N=CN([C@@H]3C[C@H](CO)C=C3)C2=N1", "FDA_Category_D_L1000_Similarity": 1.23307, "FDA_Category_D_Structural_Similarity": -0.0553508, "FDA_Category_D_Weighted_Contribution": 0.54474, "FDA_Category_D_Top_Rank": -0.0451279, "FDA_Category_X_L1000_Similarity": 0.250078, "FDA_Category_X_Structural_Similarity": 0.141771, "FDA_Category_X_Weighted_Contribution": 0.139794, "FDA_Category_X_Top_Rank": -0.0756417, "FDA_Category_D_and_X_L1000_Similarity": 1.13888, "FDA_Category_D_and_X_Structural_Similarity": 0.0325663, "FDA_Category_D_and_X_Weighted_Contribution": 0.513172, "FDA_Category_D_and_X_Top_Rank": -0.0600653, "Placenta_Crossing_L1000_Similarity": 0.825976, "Placenta_Crossing_Structural_Similarity": 0.0214251, "Placenta_Crossing_Weighted_Contribution": 0.283479, "Placenta_Crossing_Top_Rank": -0.075594, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:6338099": { "type": "Drug", "properties": { "id": "CID:6338099", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6338099", "label": "securinine", "FDA_Category_D_L1000_Similarity": 0.624865, "FDA_Category_D_Structural_Similarity": 1.48113, "FDA_Category_D_Weighted_Contribution": 1.82066, "FDA_Category_D_Top_Rank": -0.0188091, "FDA_Category_X_L1000_Similarity": 0.16921, "FDA_Category_X_Structural_Similarity": 0.657672, "FDA_Category_X_Weighted_Contribution": 0.64403, "FDA_Category_X_Top_Rank": -0.0554911, "FDA_Category_D_and_X_L1000_Similarity": 0.590024, "FDA_Category_D_and_X_Structural_Similarity": 1.53047, "FDA_Category_D_and_X_Weighted_Contribution": 1.77177, "FDA_Category_D_and_X_Top_Rank": -0.0119028, "Placenta_Crossing_L1000_Similarity": 0.507832, "Placenta_Crossing_Structural_Similarity": 1.13475, "Placenta_Crossing_Weighted_Contribution": 1.28715, "Placenta_Crossing_Top_Rank": -0.0436865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4", "InChI_key": "SWZMSZQQJRKFBP-KKPNGEORSA-N" } }, "CID:639665": { "type": "Drug", "properties": { "id": "CID:639665", "label": "xanthohumol", "lsm": "LSM-5844", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/639665", "FDA_Category_D_L1000_Similarity": -0.386535, "FDA_Category_D_Structural_Similarity": 0.389449, "FDA_Category_D_Weighted_Contribution": 0.0389421, "FDA_Category_D_Top_Rank": -0.0746618, "FDA_Category_X_L1000_Similarity": 0.441466, "FDA_Category_X_Structural_Similarity": 0.926791, "FDA_Category_X_Weighted_Contribution": 1.09911, "FDA_Category_X_Top_Rank": -0.0444648, "FDA_Category_D_and_X_L1000_Similarity": -0.199135, "FDA_Category_D_and_X_Structural_Similarity": 0.809204, "FDA_Category_D_and_X_Weighted_Contribution": 0.540459, "FDA_Category_D_and_X_Top_Rank": -0.0628904, "Placenta_Crossing_L1000_Similarity": -0.564029, "Placenta_Crossing_Structural_Similarity": 1.67961, "Placenta_Crossing_Weighted_Contribution": 1.28834, "Placenta_Crossing_Top_Rank": -0.00431955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C", "InChI_key": "ORXQGKIUCDPEAJ-YRNVUSSQSA-N" } }, "CID:6413301": { "type": "Drug", "properties": { "id": "CID:6413301", "label": "VLX-600", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6413301", "FDA_Category_D_L1000_Similarity": -0.266573, "FDA_Category_D_Structural_Similarity": 0.667629, "FDA_Category_D_Weighted_Contribution": 0.3839, "FDA_Category_D_Top_Rank": -0.0652532, "FDA_Category_X_L1000_Similarity": -1.03143, "FDA_Category_X_Structural_Similarity": 0.400944, "FDA_Category_X_Weighted_Contribution": -0.229656, "FDA_Category_X_Top_Rank": -0.0657999, "FDA_Category_D_and_X_L1000_Similarity": -0.543023, "FDA_Category_D_and_X_Structural_Similarity": 0.746254, "FDA_Category_D_and_X_Weighted_Contribution": 0.282583, "FDA_Category_D_and_X_Top_Rank": -0.0656856, "Placenta_Crossing_L1000_Similarity": -1.84317, "Placenta_Crossing_Structural_Similarity": 2.07939, "Placenta_Crossing_Weighted_Contribution": 1.01914, "Placenta_Crossing_Top_Rank": 0.0380662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:641785": { "type": "Drug", "properties": { "id": "CID:641785", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID641785", "label": "dihydroxymethoxychalcone", "FDA_Category_D_L1000_Similarity": -0.860605, "FDA_Category_D_Structural_Similarity": -0.691254, "FDA_Category_D_Weighted_Contribution": -1.01429, "FDA_Category_D_Top_Rank": -0.0957762, "FDA_Category_X_L1000_Similarity": 0.704073, "FDA_Category_X_Structural_Similarity": 0.241373, "FDA_Category_X_Weighted_Contribution": 0.482011, "FDA_Category_X_Top_Rank": -0.0718572, "FDA_Category_D_and_X_L1000_Similarity": -0.528044, "FDA_Category_D_and_X_Structural_Similarity": -0.418414, "FDA_Category_D_and_X_Weighted_Contribution": -0.703852, "FDA_Category_D_and_X_Top_Rank": -0.093157, "Placenta_Crossing_L1000_Similarity": -1.25979, "Placenta_Crossing_Structural_Similarity": -0.040566, "Placenta_Crossing_Weighted_Contribution": -0.68498, "Placenta_Crossing_Top_Rank": -0.0830731, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O", "InChI_key": "NYSZJNUIVUBQMM-BQYQJAHWSA-N" } }, "CID:6435901": { "type": "Drug", "properties": { "id": "CID:6435901", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6435901", "label": "linoleamide", "FDA_Category_D_L1000_Similarity": 0.752222, "FDA_Category_D_Structural_Similarity": 0.112791, "FDA_Category_D_Weighted_Contribution": 0.426791, "FDA_Category_D_Top_Rank": -0.0777454, "FDA_Category_X_L1000_Similarity": -1.87266, "FDA_Category_X_Structural_Similarity": 0.98967, "FDA_Category_X_Weighted_Contribution": -0.0719576, "FDA_Category_X_Top_Rank": -0.0415407, "FDA_Category_D_and_X_L1000_Similarity": 0.0797354, "FDA_Category_D_and_X_Structural_Similarity": 0.623546, "FDA_Category_D_and_X_Weighted_Contribution": 0.510363, "FDA_Category_D_and_X_Top_Rank": -0.0699394, "Placenta_Crossing_L1000_Similarity": 0.989385, "Placenta_Crossing_Structural_Similarity": 0.918289, "Placenta_Crossing_Weighted_Contribution": 1.31723, "Placenta_Crossing_Top_Rank": -0.0540334, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC=CCC=CCCCCCCCC(=O)N", "InChI_key": "SFIHQZFZMWZOJV-HZJYTTRNSA-N" } }, "CID:6436393": { "type": "Drug", "properties": { "id": "CID:6436393", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6436393", "label": "carbacyclin", "FDA_Category_D_L1000_Similarity": 0.332574, "FDA_Category_D_Structural_Similarity": -0.205047, "FDA_Category_D_Weighted_Contribution": -0.122812, "FDA_Category_D_Top_Rank": -0.0882896, "FDA_Category_X_L1000_Similarity": 2.39187, "FDA_Category_X_Structural_Similarity": 2.4141, "FDA_Category_X_Weighted_Contribution": 3.49906, "FDA_Category_X_Top_Rank": 0.110469, "FDA_Category_D_and_X_L1000_Similarity": 1.01305, "FDA_Category_D_and_X_Structural_Similarity": 1.13989, "FDA_Category_D_and_X_Weighted_Contribution": 1.61139, "FDA_Category_D_and_X_Top_Rank": -0.0432323, "Placenta_Crossing_L1000_Similarity": 1.25389, "Placenta_Crossing_Structural_Similarity": -0.473605, "Placenta_Crossing_Weighted_Contribution": 0.0146839, "Placenta_Crossing_Top_Rank": -0.058831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O", "InChI_key": "XZFRIPGNUQRGPI-WBQKLGIQSA-N" } }, "CID:6450278": { "type": "Drug", "properties": { "id": "CID:6450278", "label": "gr-235", "lsm": "LSM-5409", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6450278", "FDA_Category_D_L1000_Similarity": -0.121177, "FDA_Category_D_Structural_Similarity": -0.383358, "FDA_Category_D_Weighted_Contribution": -0.502099, "FDA_Category_D_Top_Rank": -0.0927004, "FDA_Category_X_L1000_Similarity": 1.92618, "FDA_Category_X_Structural_Similarity": 2.92643, "FDA_Category_X_Weighted_Contribution": 3.67532, "FDA_Category_X_Top_Rank": 0.194968, "FDA_Category_D_and_X_L1000_Similarity": 0.480486, "FDA_Category_D_and_X_Structural_Similarity": 1.27481, "FDA_Category_D_and_X_Weighted_Contribution": 1.43804, "FDA_Category_D_and_X_Top_Rank": -0.0337809, "Placenta_Crossing_L1000_Similarity": 0.984553, "Placenta_Crossing_Structural_Similarity": -0.0624923, "Placenta_Crossing_Weighted_Contribution": 0.280028, "Placenta_Crossing_Top_Rank": -0.0709787, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C", "InChI_key": "WDXRGPWQVHZTQJ-OSJVMJFVSA-N" } }, "CID:6450813": { "type": "Drug", "properties": { "id": "CID:6450813", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6450813", "label": "indiplon", "FDA_Category_D_L1000_Similarity": 0.989281, "FDA_Category_D_Structural_Similarity": -0.495619, "FDA_Category_D_Weighted_Contribution": -0.0360259, "FDA_Category_D_Top_Rank": -0.0658677, "FDA_Category_X_L1000_Similarity": 1.40137, "FDA_Category_X_Structural_Similarity": -0.241103, "FDA_Category_X_Weighted_Contribution": 0.339614, "FDA_Category_X_Top_Rank": -0.0531375, "FDA_Category_D_and_X_L1000_Similarity": 1.27834, "FDA_Category_D_and_X_Structural_Similarity": -0.523478, "FDA_Category_D_and_X_Weighted_Contribution": 0.0432428, "FDA_Category_D_and_X_Top_Rank": -0.0487724, "Placenta_Crossing_L1000_Similarity": 1.03486, "Placenta_Crossing_Structural_Similarity": -0.754551, "Placenta_Crossing_Weighted_Contribution": -0.334204, "Placenta_Crossing_Top_Rank": -0.0692924, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4", "InChI_key": "CBIAWPMZSFFRGN-UHFFFAOYSA-N" } }, "CID:64715": { "type": "Drug", "properties": { "id": "CID:64715", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID64715", "label": "mevastatin", "FDA_Category_D_L1000_Similarity": -2.35694, "FDA_Category_D_Structural_Similarity": -0.0160049, "FDA_Category_D_Weighted_Contribution": -1.1275, "FDA_Category_D_Top_Rank": -0.0855386, "FDA_Category_X_L1000_Similarity": 2.80886, "FDA_Category_X_Structural_Similarity": 9.30872, "FDA_Category_X_Weighted_Contribution": 4.71467, "FDA_Category_X_Top_Rank": 3.77289, "FDA_Category_D_and_X_L1000_Similarity": -1.17872, "FDA_Category_D_and_X_Structural_Similarity": 5.01025, "FDA_Category_D_and_X_Weighted_Contribution": 3.65786, "FDA_Category_D_and_X_Top_Rank": 1.26406, "Placenta_Crossing_L1000_Similarity": -1.2264, "Placenta_Crossing_Structural_Similarity": 3.10752, "Placenta_Crossing_Weighted_Contribution": 2.40897, "Placenta_Crossing_Top_Rank": 0.222075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O", "InChI_key": "AJLFOPYRIVGYMJ-INTXDZFKSA-N" } }, "CID:64945": { "type": "Drug", "properties": { "id": "CID:64945", "label": "ursolic acid", "lsm": "LSM-4889", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/64945", "FDA_Category_D_L1000_Similarity": -0.0207459, "FDA_Category_D_Structural_Similarity": 0.657395, "FDA_Category_D_Weighted_Contribution": 0.522264, "FDA_Category_D_Top_Rank": -0.0655507, "FDA_Category_X_L1000_Similarity": 0.881792, "FDA_Category_X_Structural_Similarity": -0.4297, "FDA_Category_X_Weighted_Contribution": -0.111202, "FDA_Category_X_Top_Rank": -0.0749008, "FDA_Category_D_and_X_L1000_Similarity": 0.249897, "FDA_Category_D_and_X_Structural_Similarity": 0.289919, "FDA_Category_D_and_X_Weighted_Contribution": 0.270903, "FDA_Category_D_and_X_Top_Rank": -0.0796357, "Placenta_Crossing_L1000_Similarity": 0.631562, "Placenta_Crossing_Structural_Similarity": -0.702165, "Placenta_Crossing_Weighted_Contribution": -0.458997, "Placenta_Crossing_Top_Rank": -0.0803487, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O", "InChI_key": "WCGUUGGRBIKTOS-GPOJBZKASA-N" } }, "CID:65028": { "type": "Drug", "properties": { "id": "CID:65028", "label": "oseltamivir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65028", "FDA_Category_D_L1000_Similarity": 0.271115, "FDA_Category_D_Structural_Similarity": -0.942194, "FDA_Category_D_Weighted_Contribution": -0.748447, "FDA_Category_D_Top_Rank": -0.0892645, "FDA_Category_X_L1000_Similarity": 0.847698, "FDA_Category_X_Structural_Similarity": -0.76701, "FDA_Category_X_Weighted_Contribution": -0.431423, "FDA_Category_X_Top_Rank": -0.075715, "FDA_Category_D_and_X_L1000_Similarity": 0.491138, "FDA_Category_D_and_X_Structural_Similarity": -1.16171, "FDA_Category_D_and_X_Weighted_Contribution": -0.820594, "FDA_Category_D_and_X_Top_Rank": -0.0857744, "Placenta_Crossing_L1000_Similarity": 0.281296, "Placenta_Crossing_Structural_Similarity": -1.06182, "Placenta_Crossing_Weighted_Contribution": -0.848884, "Placenta_Crossing_Top_Rank": -0.0858467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC", "InChI_key": "VSZGPKBBMSAYNT-RRFJBIMHSA-N" } }, "CID:65057": { "type": "Drug", "properties": { "id": "CID:65057", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65057", "label": "diphencyprone", "FDA_Category_D_L1000_Similarity": -2.77973, "FDA_Category_D_Structural_Similarity": 0.869107, "FDA_Category_D_Weighted_Contribution": -0.730958, "FDA_Category_D_Top_Rank": -0.0577015, "FDA_Category_X_L1000_Similarity": -1.79841, "FDA_Category_X_Structural_Similarity": -0.741229, "FDA_Category_X_Weighted_Contribution": -1.29979, "FDA_Category_X_Top_Rank": -0.0920093, "FDA_Category_D_and_X_L1000_Similarity": -2.94232, "FDA_Category_D_and_X_Structural_Similarity": 0.289858, "FDA_Category_D_and_X_Weighted_Contribution": -1.10092, "FDA_Category_D_and_X_Top_Rank": -0.0796452, "Placenta_Crossing_L1000_Similarity": -3.03272, "Placenta_Crossing_Structural_Similarity": -0.427588, "Placenta_Crossing_Weighted_Contribution": -1.39066, "Placenta_Crossing_Top_Rank": -0.0889854, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3", "InChI_key": "HCIBTBXNLVOFER-UHFFFAOYSA-N" } }, "CID:650919": { "type": "Drug", "properties": { "id": "CID:650919", "label": "st-4049616", "lsm": "LSM-4558", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/650919", "FDA_Category_D_L1000_Similarity": 1.42336, "FDA_Category_X_L1000_Similarity": 0.507719, "FDA_Category_D_and_X_L1000_Similarity": 1.38115, "Placenta_Crossing_L1000_Similarity": 1.49388, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)C(=O)O)C3=CC=CC=C3", "InChI_key": "TVRJZAMNPMXVJJ-UHFFFAOYSA-N" } }, "CID:6520352": { "type": "Drug", "properties": { "id": "CID:6520352", "label": "K-9944", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6520352", "FDA_Category_D_L1000_Similarity": -2.00213, "FDA_Category_D_Structural_Similarity": -0.515084, "FDA_Category_D_Weighted_Contribution": -1.27346, "FDA_Category_D_Top_Rank": -0.0942672, "FDA_Category_X_L1000_Similarity": -0.8212, "FDA_Category_X_Structural_Similarity": 0.832477, "FDA_Category_X_Weighted_Contribution": 0.299076, "FDA_Category_X_Top_Rank": -0.0487406, "FDA_Category_D_and_X_L1000_Similarity": -1.97525, "FDA_Category_D_and_X_Structural_Similarity": 0.0403725, "FDA_Category_D_and_X_Weighted_Contribution": -0.934501, "FDA_Category_D_and_X_Top_Rank": -0.0854624, "Placenta_Crossing_L1000_Similarity": -2.04389, "Placenta_Crossing_Structural_Similarity": -0.736726, "Placenta_Crossing_Weighted_Contribution": -1.3107, "Placenta_Crossing_Top_Rank": -0.0914317, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:65626": { "type": "Drug", "properties": { "id": "CID:65626", "label": "dimesna", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65626", "FDA_Category_D_L1000_Similarity": -0.374985, "FDA_Category_D_Structural_Similarity": 1.80213, "FDA_Category_D_Weighted_Contribution": 1.53672, "FDA_Category_D_Top_Rank": 0.018787, "FDA_Category_X_L1000_Similarity": 0.813514, "FDA_Category_X_Structural_Similarity": 0.216079, "FDA_Category_X_Weighted_Contribution": 0.513857, "FDA_Category_X_Top_Rank": -0.0727557, "FDA_Category_D_and_X_L1000_Similarity": -0.0761872, "FDA_Category_D_and_X_Structural_Similarity": 1.54697, "FDA_Category_D_and_X_Weighted_Contribution": 1.39551, "FDA_Category_D_and_X_Top_Rank": -0.0102832, "Placenta_Crossing_L1000_Similarity": 0.382211, "Placenta_Crossing_Structural_Similarity": 2.42817, "Placenta_Crossing_Weighted_Contribution": 2.53434, "Placenta_Crossing_Top_Rank": 0.0786273, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:65628": { "type": "Drug", "properties": { "id": "CID:65628", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65628", "label": "bendamustine", "FDA_Category_D_L1000_Similarity": 0.764895, "FDA_Category_D_Structural_Similarity": 6.17232, "FDA_Category_D_Weighted_Contribution": 4.33474, "FDA_Category_D_Top_Rank": 2.10547, "FDA_Category_X_L1000_Similarity": 2.87316, "FDA_Category_X_Structural_Similarity": -0.635133, "FDA_Category_X_Weighted_Contribution": 0.710622, "FDA_Category_X_Top_Rank": 0.408505, "FDA_Category_D_and_X_L1000_Similarity": 1.53188, "FDA_Category_D_and_X_Structural_Similarity": 4.55634, "FDA_Category_D_and_X_Weighted_Contribution": 4.01806, "FDA_Category_D_and_X_Top_Rank": 0.940926, "Placenta_Crossing_L1000_Similarity": 1.43874, "Placenta_Crossing_Structural_Similarity": 2.46442, "Placenta_Crossing_Weighted_Contribution": 3.00727, "Placenta_Crossing_Top_Rank": 0.0839895, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O", "InChI_key": "YTKUWDBFDASYHO-UHFFFAOYSA-N" } }, "CID:65637": { "type": "Drug", "properties": { "id": "CID:65637", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65637", "label": "zatebradine", "FDA_Category_D_L1000_Similarity": 1.3455, "FDA_Category_D_Structural_Similarity": 0.510313, "FDA_Category_D_Weighted_Contribution": 1.22632, "FDA_Category_D_Top_Rank": -0.0324998, "FDA_Category_X_L1000_Similarity": -0.412362, "FDA_Category_X_Structural_Similarity": 0.496624, "FDA_Category_X_Weighted_Contribution": 0.163529, "FDA_Category_X_Top_Rank": -0.0620963, "FDA_Category_D_and_X_L1000_Similarity": 1.03462, "FDA_Category_D_and_X_Structural_Similarity": 0.673019, "FDA_Category_D_and_X_Weighted_Contribution": 1.12658, "FDA_Category_D_and_X_Top_Rank": -0.0669536, "Placenta_Crossing_L1000_Similarity": 0.813679, "Placenta_Crossing_Structural_Similarity": 0.15445, "Placenta_Crossing_Weighted_Contribution": 0.411082, "Placenta_Crossing_Top_Rank": -0.0759139, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC", "InChI_key": "KEDQCFRVSHYKLR-UHFFFAOYSA-N" } }, "CID:65747": { "type": "Drug", "properties": { "id": "CID:65747", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65747", "label": "reserpic-acid", "FDA_Category_D_L1000_Similarity": 0.789392, "FDA_Category_D_Structural_Similarity": 0.76619, "FDA_Category_D_Weighted_Contribution": 1.14993, "FDA_Category_D_Top_Rank": -0.0617303, "FDA_Category_X_L1000_Similarity": 0.227321, "FDA_Category_X_Structural_Similarity": 0.107976, "FDA_Category_X_Weighted_Contribution": 0.0942471, "FDA_Category_X_Top_Rank": -0.0768995, "FDA_Category_D_and_X_L1000_Similarity": 0.749502, "FDA_Category_D_and_X_Structural_Similarity": 0.666399, "FDA_Category_D_and_X_Weighted_Contribution": 0.948689, "FDA_Category_D_and_X_Top_Rank": -0.0684745, "Placenta_Crossing_L1000_Similarity": 1.43417, "Placenta_Crossing_Structural_Similarity": -0.202907, "Placenta_Crossing_Weighted_Contribution": 0.367919, "Placenta_Crossing_Top_Rank": -0.0456018, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)O)NC5=C4C=CC(=C5)OC)O", "InChI_key": "JVHNBFFHWQQPLL-WOXROFTLSA-N" } }, "CID:65863": { "type": "Drug", "properties": { "id": "CID:65863", "label": "sertaconazole", "lsm": "LSM-1938", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65863", "FDA_Category_D_L1000_Similarity": -0.133557, "FDA_Category_D_Structural_Similarity": 0.12637, "FDA_Category_D_Weighted_Contribution": -0.069084, "FDA_Category_D_Top_Rank": -0.0818557, "FDA_Category_X_L1000_Similarity": 0.385933, "FDA_Category_X_Structural_Similarity": -0.647106, "FDA_Category_X_Weighted_Contribution": -0.524641, "FDA_Category_X_Top_Rank": -0.0839364, "FDA_Category_D_and_X_L1000_Similarity": 0.00207439, "FDA_Category_D_and_X_Structural_Similarity": -0.248874, "FDA_Category_D_and_X_Weighted_Contribution": -0.346399, "FDA_Category_D_and_X_Top_Rank": -0.0909397, "Placenta_Crossing_L1000_Similarity": -0.852742, "Placenta_Crossing_Structural_Similarity": -0.469642, "Placenta_Crossing_Weighted_Contribution": -0.837852, "Placenta_Crossing_Top_Rank": -0.0894187, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl", "InChI_key": "JLGKQTAYUIMGRK-UHFFFAOYSA-N" } }, "CID:65906": { "type": "Drug", "properties": { "id": "CID:65906", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65906", "label": "mizolastine", "FDA_Category_D_L1000_Similarity": 0.97871, "FDA_Category_D_Structural_Similarity": -0.634758, "FDA_Category_D_Weighted_Contribution": -0.169305, "FDA_Category_D_Top_Rank": -0.0664392, "FDA_Category_X_L1000_Similarity": 1.40897, "FDA_Category_X_Structural_Similarity": 0.772673, "FDA_Category_X_Weighted_Contribution": 1.47546, "FDA_Category_X_Top_Rank": -0.0509197, "FDA_Category_D_and_X_L1000_Similarity": 1.27154, "FDA_Category_D_and_X_Structural_Similarity": -0.0868846, "FDA_Category_D_and_X_Weighted_Contribution": 0.467135, "FDA_Category_D_and_X_Top_Rank": -0.0493811, "Placenta_Crossing_L1000_Similarity": 1.4517, "Placenta_Crossing_Structural_Similarity": 0.996052, "Placenta_Crossing_Weighted_Contribution": 1.65212, "Placenta_Crossing_Top_Rank": -0.0443671, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5", "InChI_key": "PVLJETXTTWAYEW-UHFFFAOYSA-N" } }, "CID:65957": { "type": "Drug", "properties": { "id": "CID:65957", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65957", "label": "pazufloxacin", "FDA_Category_D_L1000_Similarity": 0.852498, "FDA_Category_D_Structural_Similarity": -0.644465, "FDA_Category_D_Weighted_Contribution": -0.243588, "FDA_Category_D_Top_Rank": -0.0737288, "FDA_Category_X_L1000_Similarity": 0.643865, "FDA_Category_X_Structural_Similarity": -0.720509, "FDA_Category_X_Weighted_Contribution": -0.478404, "FDA_Category_X_Top_Rank": -0.0803321, "FDA_Category_D_and_X_L1000_Similarity": 0.930395, "FDA_Category_D_and_X_Structural_Similarity": -0.900305, "FDA_Category_D_and_X_Weighted_Contribution": -0.452707, "FDA_Category_D_and_X_Top_Rank": -0.0727751, "Placenta_Crossing_L1000_Similarity": 0.420756, "Placenta_Crossing_Structural_Similarity": -0.213253, "Placenta_Crossing_Weighted_Contribution": -0.134352, "Placenta_Crossing_Top_Rank": -0.0841919, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O", "InChI_key": "XAGMUUZPGZWTRP-ZETCQYMHSA-N" } }, "CID:6597": { "type": "Drug", "properties": { "id": "CID:6597", "label": "dichloroacetic acid", "lsm": "LSM-5314", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6597", "FDA_Category_D_L1000_Similarity": 0.288342, "FDA_Category_D_Structural_Similarity": -0.935447, "FDA_Category_D_Weighted_Contribution": -0.736582, "FDA_Category_D_Top_Rank": -0.0890295, "FDA_Category_X_L1000_Similarity": -0.519344, "FDA_Category_X_Structural_Similarity": -0.723415, "FDA_Category_X_Weighted_Contribution": -0.919293, "FDA_Category_X_Top_Rank": -0.0900982, "FDA_Category_D_and_X_L1000_Similarity": 0.0908298, "FDA_Category_D_and_X_Structural_Similarity": -1.13283, "FDA_Category_D_and_X_Weighted_Contribution": -0.94359, "FDA_Category_D_and_X_Top_Rank": -0.0914128, "Placenta_Crossing_L1000_Similarity": 1.07485, "Placenta_Crossing_Structural_Similarity": -1.06787, "Placenta_Crossing_Weighted_Contribution": -0.56887, "Placenta_Crossing_Top_Rank": -0.0674374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(=O)O)(Cl)Cl", "InChI_key": "JXTHNDFMNIQAHM-UHFFFAOYSA-N" } }, "CID:6602440": { "type": "Drug", "properties": { "id": "CID:6602440", "label": "dehydrocholic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6602440", "FDA_Category_D_L1000_Similarity": 0.443576, "FDA_Category_D_Structural_Similarity": 1.01553, "FDA_Category_D_Weighted_Contribution": 1.20121, "FDA_Category_D_Top_Rank": -0.0497639, "FDA_Category_X_L1000_Similarity": 0.289063, "FDA_Category_X_Structural_Similarity": 1.89502, "FDA_Category_X_Weighted_Contribution": 2.10159, "FDA_Category_X_Top_Rank": 0.0280664, "FDA_Category_D_and_X_L1000_Similarity": 0.470158, "FDA_Category_D_and_X_Structural_Similarity": 1.82859, "FDA_Category_D_and_X_Weighted_Contribution": 2.00738, "FDA_Category_D_and_X_Top_Rank": 0.0178376, "Placenta_Crossing_L1000_Similarity": 0.704326, "Placenta_Crossing_Structural_Similarity": 0.439836, "Placenta_Crossing_Weighted_Contribution": 0.648942, "Placenta_Crossing_Top_Rank": -0.07136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C", "InChI_key": "OHXPGWPVLFPUSM-NDGTYXLASA-N" } }, "CID:6603": { "type": "Drug", "properties": { "id": "CID:6603", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6603", "label": "Pempidine", "FDA_Category_D_L1000_Similarity": 0.234268, "FDA_Category_D_Structural_Similarity": -0.630144, "FDA_Category_D_Weighted_Contribution": -0.532589, "FDA_Category_D_Top_Rank": -0.0897368, "FDA_Category_X_L1000_Similarity": 1.84509, "FDA_Category_X_Structural_Similarity": -0.570207, "FDA_Category_X_Weighted_Contribution": 0.227929, "FDA_Category_X_Top_Rank": -0.0138124, "FDA_Category_D_and_X_L1000_Similarity": 0.762264, "FDA_Category_D_and_X_Structural_Similarity": -0.807835, "FDA_Category_D_and_X_Weighted_Contribution": -0.454119, "FDA_Category_D_and_X_Top_Rank": -0.0791287, "Placenta_Crossing_L1000_Similarity": 0.723029, "Placenta_Crossing_Structural_Similarity": -0.896485, "Placenta_Crossing_Weighted_Contribution": -0.574259, "Placenta_Crossing_Top_Rank": -0.0783232, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6604009": { "type": "Drug", "properties": { "id": "CID:6604009", "label": "sb-222200", "lsm": "LSM-2075", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604009", "FDA_Category_D_L1000_Similarity": 0.472401, "FDA_Category_D_Structural_Similarity": -0.64255, "FDA_Category_D_Weighted_Contribution": -0.430801, "FDA_Category_D_Top_Rank": -0.085804, "FDA_Category_X_L1000_Similarity": -1.83562, "FDA_Category_X_Structural_Similarity": -0.63897, "FDA_Category_X_Weighted_Contribution": -1.25776, "FDA_Category_X_Top_Rank": -0.0914603, "FDA_Category_D_and_X_L1000_Similarity": -0.150229, "FDA_Category_D_and_X_Structural_Similarity": -0.854786, "FDA_Category_D_and_X_Weighted_Contribution": -0.854699, "FDA_Category_D_and_X_Top_Rank": -0.0933407, "Placenta_Crossing_L1000_Similarity": -0.606285, "Placenta_Crossing_Structural_Similarity": -0.556152, "Placenta_Crossing_Weighted_Contribution": -0.812371, "Placenta_Crossing_Top_Rank": -0.0901994, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C", "InChI_key": "MQNYRKWJSMQECI-QFIPXVFZSA-N" } }, "CID:6604780": { "type": "Drug", "properties": { "id": "CID:6604780", "label": "zd-7114", "lsm": "LSM-2999", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604780", "FDA_Category_D_L1000_Similarity": 0.286068, "FDA_Category_D_Structural_Similarity": -0.592769, "FDA_Category_D_Weighted_Contribution": -0.478894, "FDA_Category_D_Top_Rank": -0.0890744, "FDA_Category_X_L1000_Similarity": 2.62008, "FDA_Category_X_Structural_Similarity": 2.18587, "FDA_Category_X_Weighted_Contribution": 3.42074, "FDA_Category_X_Top_Rank": 0.236556, "FDA_Category_D_and_X_L1000_Similarity": 1.04226, "FDA_Category_D_and_X_Structural_Similarity": 0.708995, "FDA_Category_D_and_X_Weighted_Contribution": 1.16971, "FDA_Category_D_and_X_Top_Rank": -0.066354, "Placenta_Crossing_L1000_Similarity": 1.32491, "Placenta_Crossing_Structural_Similarity": -0.575403, "Placenta_Crossing_Weighted_Contribution": -0.0464603, "Placenta_Crossing_Top_Rank": -0.0540515, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCCNC(=O)COC1=CC=C(C=C1)OCCNCC(COC2=CC=CC=C2)O", "InChI_key": "RVMBDLSFFNKKLG-GOSISDBHSA-N" } }, "CID:6604887": { "type": "Drug", "properties": { "id": "CID:6604887", "label": "ro-25-6981", "lsm": "LSM-3140", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604887", "FDA_Category_D_L1000_Similarity": 0.16582, "FDA_Category_D_Structural_Similarity": -0.687494, "FDA_Category_D_Weighted_Contribution": -0.607623, "FDA_Category_D_Top_Rank": -0.0905717, "FDA_Category_X_L1000_Similarity": -0.417355, "FDA_Category_X_Structural_Similarity": -0.671927, "FDA_Category_X_Weighted_Contribution": -0.849205, "FDA_Category_X_Top_Rank": -0.0897441, "FDA_Category_D_and_X_L1000_Similarity": 0.0161953, "FDA_Category_D_and_X_Structural_Similarity": -0.908242, "FDA_Category_D_and_X_Weighted_Contribution": -0.828943, "FDA_Category_D_and_X_Top_Rank": -0.0920623, "Placenta_Crossing_L1000_Similarity": 1.06834, "Placenta_Crossing_Structural_Similarity": -0.825963, "Placenta_Crossing_Weighted_Contribution": -0.379538, "Placenta_Crossing_Top_Rank": -0.0677858, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)O", "InChI_key": "WVZSEUPGUDIELE-HTAPYJJXSA-N" } }, "CID:6604931": { "type": "Drug", "properties": { "id": "CID:6604931", "label": "aminopurvalanol-a", "lsm": "LSM-2151", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604931", "FDA_Category_D_L1000_Similarity": -0.771187, "FDA_Category_D_Structural_Similarity": -0.293246, "FDA_Category_D_Weighted_Contribution": -0.721129, "FDA_Category_D_Top_Rank": -0.0912819, "FDA_Category_X_L1000_Similarity": -2.91583, "FDA_Category_X_Structural_Similarity": -0.210724, "FDA_Category_X_Weighted_Contribution": -1.3138, "FDA_Category_X_Top_Rank": -0.0847887, "FDA_Category_D_and_X_L1000_Similarity": -1.55026, "FDA_Category_D_and_X_Structural_Similarity": -0.346459, "FDA_Category_D_and_X_Weighted_Contribution": -1.02178, "FDA_Category_D_and_X_Top_Rank": -0.0923086, "Placenta_Crossing_L1000_Similarity": -2.56887, "Placenta_Crossing_Structural_Similarity": 0.89729, "Placenta_Crossing_Weighted_Contribution": -0.47822, "Placenta_Crossing_Top_Rank": -0.0552833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC(=C3)N)Cl", "InChI_key": "RAMROQQYRRQPDL-HNNXBMFYSA-N" } }, "CID:6610261": { "type": "Drug", "properties": { "id": "CID:6610261", "label": "L-744832", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610261", "FDA_Category_D_L1000_Similarity": 0.123218, "FDA_Category_D_Structural_Similarity": -0.662978, "FDA_Category_D_Weighted_Contribution": -0.607949, "FDA_Category_D_Top_Rank": -0.0910373, "FDA_Category_X_L1000_Similarity": -0.291284, "FDA_Category_X_Structural_Similarity": 0.252245, "FDA_Category_X_Weighted_Contribution": -0.0197534, "FDA_Category_X_Top_Rank": -0.0715003, "FDA_Category_D_and_X_L1000_Similarity": 0.017752, "FDA_Category_D_and_X_Structural_Similarity": -0.390104, "FDA_Category_D_and_X_Weighted_Contribution": -0.453816, "FDA_Category_D_and_X_Top_Rank": -0.092037, "Placenta_Crossing_L1000_Similarity": -0.485251, "Placenta_Crossing_Structural_Similarity": -0.425285, "Placenta_Crossing_Weighted_Contribution": -0.679081, "Placenta_Crossing_Top_Rank": -0.0889563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:66377": { "type": "Drug", "properties": { "id": "CID:66377", "label": "edoxudine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/66377", "FDA_Category_D_L1000_Similarity": 1.85394, "FDA_Category_D_Structural_Similarity": 2.58314, "FDA_Category_D_Weighted_Contribution": 3.39132, "FDA_Category_D_Top_Rank": 0.143322, "FDA_Category_X_L1000_Similarity": 0.0838231, "FDA_Category_X_Structural_Similarity": -0.587152, "FDA_Category_X_Weighted_Contribution": -0.598472, "FDA_Category_X_Top_Rank": -0.0869645, "FDA_Category_D_and_X_L1000_Similarity": 1.62358, "FDA_Category_D_and_X_Structural_Similarity": 1.73345, "FDA_Category_D_and_X_Weighted_Contribution": 2.53004, "FDA_Category_D_and_X_Top_Rank": 0.00801754, "Placenta_Crossing_L1000_Similarity": 0.937586, "Placenta_Crossing_Structural_Similarity": 1.81773, "Placenta_Crossing_Weighted_Contribution": 2.22576, "Placenta_Crossing_Top_Rank": 0.0128603, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O", "InChI_key": "XACKNLSZYYIACO-DJLDLDEBSA-N" } }, "CID:66654": { "type": "Drug", "properties": { "id": "CID:66654", "label": "xanthoxyline", "lsm": "LSM-2254", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/66654", "FDA_Category_D_L1000_Similarity": 1.42907, "FDA_Category_D_Structural_Similarity": -0.0480529, "FDA_Category_D_Weighted_Contribution": 0.673723, "FDA_Category_D_Top_Rank": -0.0209805, "FDA_Category_X_L1000_Similarity": 0.46631, "FDA_Category_X_Structural_Similarity": 1.01694, "FDA_Category_X_Weighted_Contribution": 1.21603, "FDA_Category_X_Top_Rank": -0.0401257, "FDA_Category_D_and_X_L1000_Similarity": 1.37349, "FDA_Category_D_and_X_Structural_Similarity": 0.510598, "FDA_Category_D_and_X_Weighted_Contribution": 1.15608, "FDA_Category_D_and_X_Top_Rank": -0.0402221, "Placenta_Crossing_L1000_Similarity": 1.72575, "Placenta_Crossing_Structural_Similarity": 0.0984341, "Placenta_Crossing_Weighted_Contribution": 0.836221, "Placenta_Crossing_Top_Rank": -0.0118281, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=C(C=C(C=C1OC)OC)O", "InChI_key": "FBUBVLUPUDBFME-UHFFFAOYSA-N" } }, "CID:667477": { "type": "Drug", "properties": { "id": "CID:667477", "label": "doxepin", "lsm": "LSM-2803", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/667477", "IDG_ID": "956", "FDA_Category_D_L1000_Similarity": 0.566821, "FDA_Category_D_Structural_Similarity": 0.151896, "FDA_Category_D_Weighted_Contribution": 0.3556, "FDA_Category_D_Top_Rank": -0.0811428, "FDA_Category_X_L1000_Similarity": 0.926968, "FDA_Category_X_Structural_Similarity": -0.629116, "FDA_Category_X_Weighted_Contribution": -0.275266, "FDA_Category_X_Top_Rank": -0.0736708, "FDA_Category_D_and_X_L1000_Similarity": 0.770119, "FDA_Category_D_and_X_Structural_Similarity": -0.218906, "FDA_Category_D_and_X_Weighted_Contribution": 0.0617065, "FDA_Category_D_and_X_Top_Rank": -0.0788057, "Placenta_Crossing_L1000_Similarity": 0.763815, "Placenta_Crossing_Structural_Similarity": -1.03294, "Placenta_Crossing_Weighted_Contribution": -0.660267, "Placenta_Crossing_Top_Rank": -0.0773385, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31", "InChI_key": "ODQWQRRAPPTVAG-GZTJUZNOSA-N" } }, "CID:6708512": { "type": "Drug", "properties": { "id": "CID:6708512", "label": "totaralolal", "lsm": "LSM-1625", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708512", "FDA_Category_D_L1000_Similarity": 0.0508957, "FDA_Category_D_Structural_Similarity": -0.651876, "FDA_Category_D_Weighted_Contribution": -0.631448, "FDA_Category_D_Top_Rank": -0.091738, "FDA_Category_X_L1000_Similarity": -0.0903192, "FDA_Category_X_Structural_Similarity": -0.626605, "FDA_Category_X_Weighted_Contribution": -0.696919, "FDA_Category_X_Top_Rank": -0.0881563, "FDA_Category_D_and_X_L1000_Similarity": 0.0164482, "FDA_Category_D_and_X_Structural_Similarity": -0.855516, "FDA_Category_D_and_X_Weighted_Contribution": -0.794097, "FDA_Category_D_and_X_Top_Rank": -0.092056, "Placenta_Crossing_L1000_Similarity": 0.870487, "Placenta_Crossing_Structural_Similarity": -0.867208, "Placenta_Crossing_Weighted_Contribution": -0.493778, "Placenta_Crossing_Top_Rank": -0.0744303, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C=O)C)O", "InChI_key": "QMRLEXVAVRHWSE-IPNZSQQUSA-N" } }, "CID:6708539": { "type": "Drug", "properties": { "id": "CID:6708539", "label": "rotenonic-acid", "lsm": "LSM-2748", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708539", "FDA_Category_D_L1000_Similarity": 0.544454, "FDA_Category_D_Structural_Similarity": 1.39107, "FDA_Category_D_Weighted_Contribution": 1.67429, "FDA_Category_D_Top_Rank": -0.0268718, "FDA_Category_X_L1000_Similarity": -0.128334, "FDA_Category_X_Structural_Similarity": -0.575822, "FDA_Category_X_Weighted_Contribution": -0.67266, "FDA_Category_X_Top_Rank": -0.0883934, "FDA_Category_D_and_X_L1000_Similarity": 0.430356, "FDA_Category_D_and_X_Structural_Similarity": 0.793403, "FDA_Category_D_and_X_Weighted_Contribution": 0.893469, "FDA_Category_D_and_X_Top_Rank": -0.0634715, "Placenta_Crossing_L1000_Similarity": 0.428662, "Placenta_Crossing_Structural_Similarity": -0.677, "Placenta_Crossing_Weighted_Contribution": -0.520342, "Placenta_Crossing_Top_Rank": -0.0840804, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCC1=C(C=CC2=C1OC3COC4=CC(=C(C=C4C3C2=O)OC)OC)O)C", "InChI_key": "GBVCHRDRVDOMQV-RTWAWAEBSA-N" } }, "CID:6708600": { "type": "Drug", "properties": { "id": "CID:6708600", "label": "sarmentogenin", "lsm": "LSM-1890", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708600", "FDA_Category_D_L1000_Similarity": -1.591, "FDA_Category_D_Structural_Similarity": -0.705613, "FDA_Category_D_Weighted_Contribution": -1.24977, "FDA_Category_D_Top_Rank": -0.0958894, "FDA_Category_X_L1000_Similarity": -2.53483, "FDA_Category_X_Structural_Similarity": 1.92563, "FDA_Category_X_Weighted_Contribution": 0.550793, "FDA_Category_X_Top_Rank": 0.0316844, "FDA_Category_D_and_X_L1000_Similarity": -2.14124, "FDA_Category_D_and_X_Structural_Similarity": 0.479007, "FDA_Category_D_and_X_Weighted_Contribution": -0.708682, "FDA_Category_D_and_X_Top_Rank": -0.0745051, "Placenta_Crossing_L1000_Similarity": -2.11541, "Placenta_Crossing_Structural_Similarity": 1.96665, "Placenta_Crossing_Weighted_Contribution": 0.750623, "Placenta_Crossing_Top_Rank": 0.0287813, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O", "InChI_key": "FLMSQRUGSHIKCT-CDDJPJPASA-N" } }, "CID:6708636": { "type": "Drug", "properties": { "id": "CID:6708636", "label": "dihydrodeoxygedunin", "lsm": "LSM-1253", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708636", "FDA_Category_D_L1000_Similarity": -0.0604825, "FDA_Category_D_Structural_Similarity": 0.132126, "FDA_Category_D_Weighted_Contribution": -0.0238355, "FDA_Category_D_Top_Rank": -0.0816648, "FDA_Category_X_L1000_Similarity": -0.493765, "FDA_Category_X_Structural_Similarity": 2.3394, "FDA_Category_X_Weighted_Contribution": 2.15811, "FDA_Category_X_Top_Rank": 0.0832825, "FDA_Category_D_and_X_L1000_Similarity": -0.20209, "FDA_Category_D_and_X_Structural_Similarity": 1.3672, "FDA_Category_D_and_X_Weighted_Contribution": 1.12757, "FDA_Category_D_and_X_Top_Rank": -0.0255554, "Placenta_Crossing_L1000_Similarity": -0.166339, "Placenta_Crossing_Structural_Similarity": 0.00845654, "Placenta_Crossing_Weighted_Contribution": -0.202058, "Placenta_Crossing_Top_Rank": -0.0821673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CC2C(C(=O)CCC2(C3C1(C4=CC(=O)OC(C4(CC3)C)C5=COC=C5)C)C)(C)C", "InChI_key": "QDBAUJQKYJXHPB-OMRKLITNSA-N" } }, "CID:6710740": { "type": "Drug", "properties": { "id": "CID:6710740", "label": "endecaphyllin-x", "lsm": "LSM-3220", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710740", "FDA_Category_D_L1000_Similarity": 0.74217, "FDA_Category_D_Structural_Similarity": 1.26029, "FDA_Category_D_Weighted_Contribution": 1.65815, "FDA_Category_D_Top_Rank": -0.0367459, "FDA_Category_X_L1000_Similarity": 1.35607, "FDA_Category_X_Structural_Similarity": 2.69322, "FDA_Category_X_Weighted_Contribution": 3.33043, "FDA_Category_X_Top_Rank": 0.142891, "FDA_Category_D_and_X_L1000_Similarity": 1.05158, "FDA_Category_D_and_X_Structural_Similarity": 2.45355, "FDA_Category_D_and_X_Weighted_Contribution": 2.86367, "FDA_Category_D_and_X_Top_Rank": 0.0984248, "Placenta_Crossing_L1000_Similarity": 1.52528, "Placenta_Crossing_Structural_Similarity": 0.0151546, "Placenta_Crossing_Weighted_Contribution": 0.640332, "Placenta_Crossing_Top_Rank": -0.0374174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C[N+](=O)[O-])C(=O)OCC1C(C(C(C(O1)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-]", "InChI_key": "JMPKPWBLQUWFHQ-LUAGPVBASA-N" } }, "CID:6710741": { "type": "Drug", "properties": { "id": "CID:6710741", "label": "baeomycesic-acid", "lsm": "LSM-2903", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710741", "FDA_Category_D_L1000_Similarity": 1.38577, "FDA_Category_D_Structural_Similarity": -0.552168, "FDA_Category_D_Weighted_Contribution": 0.131694, "FDA_Category_D_Top_Rank": -0.0267704, "FDA_Category_X_L1000_Similarity": 0.671359, "FDA_Category_X_Structural_Similarity": -0.614454, "FDA_Category_X_Weighted_Contribution": -0.375882, "FDA_Category_X_Top_Rank": -0.0797577, "FDA_Category_D_and_X_L1000_Similarity": 1.39844, "FDA_Category_D_and_X_Structural_Similarity": -0.76982, "FDA_Category_D_and_X_Weighted_Contribution": -0.120695, "FDA_Category_D_and_X_Top_Rank": -0.037045, "Placenta_Crossing_L1000_Similarity": 0.898332, "Placenta_Crossing_Structural_Similarity": -0.458948, "Placenta_Crossing_Weighted_Contribution": -0.137422, "Placenta_Crossing_Top_Rank": -0.0736236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)O)C(=O)O)C)O)C=O)OC", "InChI_key": "IGTAVCGEZLIHKG-UHFFFAOYSA-N" } }, "CID:6710754": { "type": "Drug", "properties": { "id": "CID:6710754", "label": "irilin-a", "lsm": "LSM-4077", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710754", "FDA_Category_D_L1000_Similarity": 0.358163, "FDA_Category_D_Structural_Similarity": -0.898199, "FDA_Category_D_Weighted_Contribution": -0.68047, "FDA_Category_D_Top_Rank": -0.0878796, "FDA_Category_X_L1000_Similarity": 1.62094, "FDA_Category_X_Structural_Similarity": 0.278857, "FDA_Category_X_Weighted_Contribution": 1.03351, "FDA_Category_X_Top_Rank": -0.0378815, "FDA_Category_D_and_X_L1000_Similarity": 0.800992, "FDA_Category_D_and_X_Structural_Similarity": -0.562443, "FDA_Category_D_and_X_Weighted_Contribution": -0.232804, "FDA_Category_D_and_X_Top_Rank": -0.0777263, "Placenta_Crossing_L1000_Similarity": 1.55936, "Placenta_Crossing_Structural_Similarity": -0.40448, "Placenta_Crossing_Weighted_Contribution": 0.230167, "Placenta_Crossing_Top_Rank": -0.0333227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1C2=COC3=CC(=C(C(=C3C2=O)OC)OC)OC", "InChI_key": "LMYDKXXEPYRDDD-UHFFFAOYSA-N" } }, "CID:6710772": { "type": "Drug", "properties": { "id": "CID:6710772", "label": "lysylphenylalanyl-tyrosine", "lsm": "LSM-3044", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710772", "FDA_Category_D_L1000_Similarity": 0.692364, "FDA_Category_D_Structural_Similarity": 0.985197, "FDA_Category_D_Weighted_Contribution": 1.32748, "FDA_Category_D_Top_Rank": -0.0511174, "FDA_Category_X_L1000_Similarity": 0.970429, "FDA_Category_X_Structural_Similarity": 0.0868681, "FDA_Category_X_Weighted_Contribution": 0.459173, "FDA_Category_X_Top_Rank": -0.0723749, "FDA_Category_D_and_X_L1000_Similarity": 0.891533, "FDA_Category_D_and_X_Structural_Similarity": 0.828837, "FDA_Category_D_and_X_Weighted_Contribution": 1.20758, "FDA_Category_D_and_X_Top_Rank": -0.0621759, "Placenta_Crossing_L1000_Similarity": 0.997737, "Placenta_Crossing_Structural_Similarity": 1.72614, "Placenta_Crossing_Weighted_Contribution": 2.16586, "Placenta_Crossing_Top_Rank": 0.0010276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6711154": { "type": "Drug", "properties": { "id": "CID:6711154", "label": "cgp-53353", "lsm": "LSM-2701", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6711154", "FDA_Category_D_L1000_Similarity": 0.411862, "FDA_Category_D_Structural_Similarity": -0.791993, "FDA_Category_D_Weighted_Contribution": -0.577462, "FDA_Category_D_Top_Rank": -0.0870059, "FDA_Category_X_L1000_Similarity": -0.908425, "FDA_Category_X_Structural_Similarity": -0.533196, "FDA_Category_X_Weighted_Contribution": -0.922286, "FDA_Category_X_Top_Rank": -0.0902635, "FDA_Category_D_and_X_L1000_Similarity": 0.0791586, "FDA_Category_D_and_X_Structural_Similarity": -0.916326, "FDA_Category_D_and_X_Weighted_Contribution": -0.811102, "FDA_Category_D_and_X_Top_Rank": -0.091497, "Placenta_Crossing_L1000_Similarity": -0.104856, "Placenta_Crossing_Structural_Similarity": -0.891511, "Placenta_Crossing_Weighted_Contribution": -0.865469, "Placenta_Crossing_Top_Rank": -0.0890271, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=C(C=C4)F)F", "InChI_key": "RONQPWQYDRPRGG-UHFFFAOYSA-N" } }, "CID:6713958": { "type": "Drug", "properties": { "id": "CID:6713958", "label": "vitexin", "lsm": "LSM-1538", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6713958", "FDA_Category_D_L1000_Similarity": 1.37655, "FDA_Category_D_Structural_Similarity": 2.13224, "FDA_Category_D_Weighted_Contribution": 2.86303, "FDA_Category_D_Top_Rank": 0.0714083, "FDA_Category_X_L1000_Similarity": 0.158817, "FDA_Category_X_Structural_Similarity": -0.411401, "FDA_Category_X_Weighted_Contribution": -0.422101, "FDA_Category_X_Top_Rank": -0.0863445, "FDA_Category_D_and_X_L1000_Similarity": 1.23484, "FDA_Category_D_and_X_Structural_Similarity": 1.47039, "FDA_Category_D_and_X_Weighted_Contribution": 2.07758, "FDA_Category_D_and_X_Top_Rank": -0.0183553, "Placenta_Crossing_L1000_Similarity": 1.64097, "Placenta_Crossing_Structural_Similarity": 0.899354, "Placenta_Crossing_Weighted_Contribution": 1.6514, "Placenta_Crossing_Top_Rank": -0.0235363, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O", "InChI_key": "SGEWCQFRYRRZDC-YWFAZRBLSA-N" } }, "CID:67505836": { "type": "Drug", "properties": { "id": "CID:67505836", "label": "ledipasvir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67505836", "FDA_Category_D_L1000_Similarity": -0.576673, "FDA_Category_D_Structural_Similarity": -0.727313, "FDA_Category_D_Weighted_Contribution": -0.935246, "FDA_Category_D_Top_Rank": -0.0953936, "FDA_Category_X_L1000_Similarity": 1.06458, "FDA_Category_X_Structural_Similarity": 0.0692871, "FDA_Category_X_Weighted_Contribution": 0.490983, "FDA_Category_X_Top_Rank": -0.0693639, "FDA_Category_D_and_X_L1000_Similarity": -0.173801, "FDA_Category_D_and_X_Structural_Similarity": -0.539891, "FDA_Category_D_and_X_Weighted_Contribution": -0.648887, "FDA_Category_D_and_X_Top_Rank": -0.0934765, "Placenta_Crossing_L1000_Similarity": -0.409208, "Placenta_Crossing_Structural_Similarity": 3.38334, "Placenta_Crossing_Weighted_Contribution": 2.99331, "Placenta_Crossing_Top_Rank": 0.305761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC", "InChI_key": "VRTWBAAJJOHBQU-KMWAZVGDSA-N" } }, "CID:6769": { "type": "Drug", "properties": { "id": "CID:6769", "label": "syrosingopine", "lsm": "LSM-2297", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6769", "FDA_Category_D_L1000_Similarity": -1.19621, "FDA_Category_D_Structural_Similarity": 2.00569, "FDA_Category_D_Weighted_Contribution": 1.23397, "FDA_Category_D_Top_Rank": 0.0479833, "FDA_Category_X_L1000_Similarity": -0.978236, "FDA_Category_X_Structural_Similarity": -0.509832, "FDA_Category_X_Weighted_Contribution": -0.929991, "FDA_Category_X_Top_Rank": -0.0899671, "FDA_Category_D_and_X_L1000_Similarity": -1.32823, "FDA_Category_D_and_X_Structural_Similarity": 1.31684, "FDA_Category_D_and_X_Weighted_Contribution": 0.412788, "FDA_Category_D_and_X_Top_Rank": -0.0298054, "Placenta_Crossing_L1000_Similarity": -1.66161, "Placenta_Crossing_Structural_Similarity": 0.0595936, "Placenta_Crossing_Weighted_Contribution": -0.757894, "Placenta_Crossing_Top_Rank": -0.0809543, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC", "InChI_key": "ZCDNRPPFBQDQHR-SSYATKPKSA-N" } }, "CID:68186": { "type": "Drug", "properties": { "id": "CID:68186", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68186", "label": "spiramide", "FDA_Category_D_L1000_Similarity": -1.39828, "FDA_Category_D_Structural_Similarity": -0.86345, "FDA_Category_D_Weighted_Contribution": -1.27102, "FDA_Category_D_Top_Rank": -0.096686, "FDA_Category_X_L1000_Similarity": 0.869456, "FDA_Category_X_Structural_Similarity": 0.251251, "FDA_Category_X_Weighted_Contribution": 0.582583, "FDA_Category_X_Top_Rank": -0.071539, "FDA_Category_D_and_X_L1000_Similarity": -0.9413, "FDA_Category_D_and_X_Structural_Similarity": -0.549758, "FDA_Category_D_and_X_Weighted_Contribution": -0.940878, "FDA_Category_D_and_X_Top_Rank": -0.0944048, "Placenta_Crossing_L1000_Similarity": -1.63178, "Placenta_Crossing_Structural_Similarity": -0.282712, "Placenta_Crossing_Weighted_Contribution": -0.968648, "Placenta_Crossing_Top_Rank": -0.0872279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F", "InChI_key": "FJUKDAZEABGEIH-UHFFFAOYSA-N" } }, "CID:6851740": { "type": "Drug", "properties": { "id": "CID:6851740", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6851740", "label": "ispinesib", "FDA_Category_D_L1000_Similarity": -3.60793, "FDA_Category_D_Structural_Similarity": 0.320622, "FDA_Category_D_Weighted_Contribution": -1.32094, "FDA_Category_D_Top_Rank": -0.0765957, "FDA_Category_X_L1000_Similarity": 0.833947, "FDA_Category_X_Structural_Similarity": 0.00734986, "FDA_Category_X_Weighted_Contribution": 0.302338, "FDA_Category_X_Top_Rank": -0.0760743, "FDA_Category_D_and_X_L1000_Similarity": -2.85684, "FDA_Category_D_and_X_Structural_Similarity": 0.258448, "FDA_Category_D_and_X_Weighted_Contribution": -1.09212, "FDA_Category_D_and_X_Top_Rank": -0.0804285, "Placenta_Crossing_L1000_Similarity": -2.9028, "Placenta_Crossing_Structural_Similarity": 0.389195, "Placenta_Crossing_Weighted_Contribution": -0.952285, "Placenta_Crossing_Top_Rank": -0.0728567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C", "InChI_key": "QJZRFPJCWMNVAV-HHHXNRCGSA-N" } }, "CID:68802": { "type": "Drug", "properties": { "id": "CID:68802", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68802", "label": "pirlindole", "FDA_Category_D_L1000_Similarity": 0.433703, "FDA_Category_D_Structural_Similarity": -0.673737, "FDA_Category_D_Weighted_Contribution": -0.474488, "FDA_Category_D_Top_Rank": -0.0865782, "FDA_Category_X_L1000_Similarity": 1.9333, "FDA_Category_X_Structural_Similarity": -0.32199, "FDA_Category_X_Weighted_Contribution": 0.538024, "FDA_Category_X_Top_Rank": 0.000212453, "FDA_Category_D_and_X_L1000_Similarity": 0.960968, "FDA_Category_D_and_X_Structural_Similarity": -0.708498, "FDA_Category_D_and_X_Weighted_Contribution": -0.281064, "FDA_Category_D_and_X_Top_Rank": -0.0711617, "Placenta_Crossing_L1000_Similarity": 0.666657, "Placenta_Crossing_Structural_Similarity": 1.35219, "Placenta_Crossing_Weighted_Contribution": 1.60735, "Placenta_Crossing_Top_Rank": -0.0299577, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4", "InChI_key": "IWVRVEIKCBFZNF-UHFFFAOYSA-N" } }, "CID:688020": { "type": "Drug", "properties": { "id": "CID:688020", "label": "crotamiton", "lsm": "LSM-3274", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/688020", "FDA_Category_D_L1000_Similarity": 0.390343, "FDA_Category_D_Structural_Similarity": -0.659197, "FDA_Category_D_Weighted_Contribution": -0.483195, "FDA_Category_D_Top_Rank": -0.0873472, "FDA_Category_X_L1000_Similarity": 0.199755, "FDA_Category_X_Structural_Similarity": -0.56151, "FDA_Category_X_Weighted_Contribution": -0.530858, "FDA_Category_X_Top_Rank": -0.0859453, "FDA_Category_D_and_X_L1000_Similarity": 0.397144, "FDA_Category_D_and_X_Structural_Similarity": -0.826202, "FDA_Category_D_and_X_Weighted_Contribution": -0.624321, "FDA_Category_D_and_X_Top_Rank": -0.087491, "Placenta_Crossing_L1000_Similarity": 1.08504, "Placenta_Crossing_Structural_Similarity": 0.473367, "Placenta_Crossing_Weighted_Contribution": 0.889585, "Placenta_Crossing_Top_Rank": -0.0670448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(C1=CC=CC=C1C)C(=O)C=CC", "InChI_key": "DNTGGZPQPQTDQF-XBXARRHUSA-N" } }, "CID:68827": { "type": "Drug", "properties": { "id": "CID:68827", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68827", "label": "artemisinin", "FDA_Category_D_L1000_Similarity": -0.603779, "FDA_Category_D_Structural_Similarity": -0.440329, "FDA_Category_D_Weighted_Contribution": -0.75578, "FDA_Category_D_Top_Rank": -0.0934415, "FDA_Category_X_L1000_Similarity": -0.687391, "FDA_Category_X_Structural_Similarity": -0.584433, "FDA_Category_X_Weighted_Contribution": -0.882144, "FDA_Category_X_Top_Rank": -0.0906112, "FDA_Category_D_and_X_L1000_Similarity": -0.729218, "FDA_Category_D_and_X_Structural_Similarity": -0.664853, "FDA_Category_D_and_X_Weighted_Contribution": -0.938586, "FDA_Category_D_and_X_Top_Rank": -0.0952416, "Placenta_Crossing_L1000_Similarity": -0.418968, "Placenta_Crossing_Structural_Similarity": 0.656759, "Placenta_Crossing_Weighted_Contribution": 0.287226, "Placenta_Crossing_Top_Rank": -0.0645681, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C", "InChI_key": "BLUAFEHZUWYNDE-NNWCWBAJSA-N" } }, "CID:68844": { "type": "Drug", "properties": { "id": "CID:68844", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68844", "label": "brinzolamide", "FDA_Category_D_L1000_Similarity": 1.60749, "FDA_Category_D_Structural_Similarity": -0.902032, "FDA_Category_D_Weighted_Contribution": -0.0772931, "FDA_Category_D_Top_Rank": 0.0152677, "FDA_Category_X_L1000_Similarity": 0.982192, "FDA_Category_X_Structural_Similarity": -0.686068, "FDA_Category_X_Weighted_Contribution": -0.301655, "FDA_Category_X_Top_Rank": -0.0719449, "FDA_Category_D_and_X_L1000_Similarity": 1.68395, "FDA_Category_D_and_X_Structural_Similarity": -1.08615, "FDA_Category_D_and_X_Weighted_Contribution": -0.257521, "FDA_Category_D_and_X_Top_Rank": 0.00611727, "Placenta_Crossing_L1000_Similarity": 1.95273, "Placenta_Crossing_Structural_Similarity": -1.01876, "Placenta_Crossing_Weighted_Contribution": -0.159712, "Placenta_Crossing_Top_Rank": 0.0327823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC", "InChI_key": "HCRKCZRJWPKOAR-JTQLQIEISA-N" } }, "CID:68873": { "type": "Drug", "properties": { "id": "CID:68873", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68873", "label": "drospirenone", "FDA_Category_D_L1000_Similarity": -0.168655, "FDA_Category_D_Structural_Similarity": 0.191852, "FDA_Category_D_Weighted_Contribution": -0.0272274, "FDA_Category_D_Top_Rank": -0.0801805, "FDA_Category_X_L1000_Similarity": 0.439079, "FDA_Category_X_Structural_Similarity": 2.9959, "FDA_Category_X_Weighted_Contribution": 3.21134, "FDA_Category_X_Top_Rank": 0.220814, "FDA_Category_D_and_X_L1000_Similarity": -0.0120386, "FDA_Category_D_and_X_Structural_Similarity": 1.76885, "FDA_Category_D_and_X_Weighted_Contribution": 1.66846, "FDA_Category_D_and_X_Top_Rank": 0.0124868, "Placenta_Crossing_L1000_Similarity": -0.475053, "Placenta_Crossing_Structural_Similarity": 1.32337, "Placenta_Crossing_Weighted_Contribution": 0.952427, "Placenta_Crossing_Top_Rank": -0.031477, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C", "InChI_key": "METQSPRSQINEEU-HXCATZOESA-N" } }, "CID:68911": { "type": "Drug", "properties": { "id": "CID:68911", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68911", "label": "artemether", "FDA_Category_D_L1000_Similarity": -0.898449, "FDA_Category_D_Structural_Similarity": -0.390558, "FDA_Category_D_Weighted_Contribution": -0.839577, "FDA_Category_D_Top_Rank": -0.0927906, "FDA_Category_X_L1000_Similarity": -0.812064, "FDA_Category_X_Structural_Similarity": -0.610857, "FDA_Category_X_Weighted_Contribution": -0.941818, "FDA_Category_X_Top_Rank": -0.0909041, "FDA_Category_D_and_X_L1000_Similarity": -1.02108, "FDA_Category_D_and_X_Structural_Similarity": -0.639607, "FDA_Category_D_and_X_Weighted_Contribution": -1.01979, "FDA_Category_D_and_X_Top_Rank": -0.0950694, "Placenta_Crossing_L1000_Similarity": -0.0593397, "Placenta_Crossing_Structural_Similarity": 0.818047, "Placenta_Crossing_Weighted_Contribution": 0.639285, "Placenta_Crossing_Top_Rank": -0.0589745, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C", "InChI_key": "SXYIRMFQILZOAM-HVNFFKDJSA-N" } }, "CID:6918030": { "type": "Drug", "properties": { "id": "CID:6918030", "label": "gr-32191", "lsm": "LSM-2023", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918030", "FDA_Category_D_L1000_Similarity": 0.892653, "FDA_Category_D_Structural_Similarity": -0.307706, "FDA_Category_D_Weighted_Contribution": 0.0887348, "FDA_Category_D_Top_Rank": -0.0718721, "FDA_Category_X_L1000_Similarity": 2.1227, "FDA_Category_X_Structural_Similarity": 0.486283, "FDA_Category_X_Weighted_Contribution": 1.5559, "FDA_Category_X_Top_Rank": 0.0342141, "FDA_Category_D_and_X_L1000_Similarity": 1.4141, "FDA_Category_D_and_X_Structural_Similarity": 0.0181656, "FDA_Category_D_and_X_Weighted_Contribution": 0.657761, "FDA_Category_D_and_X_Top_Rank": -0.0347692, "Placenta_Crossing_L1000_Similarity": 2.21417, "Placenta_Crossing_Structural_Similarity": -0.564928, "Placenta_Crossing_Weighted_Contribution": 0.402038, "Placenta_Crossing_Top_Rank": 0.114018, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C2C(CC(C2CCC=CCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O", "InChI_key": "GQGRDYWMOPRROR-XUSMOFMBSA-N" } }, "CID:6918097": { "type": "Drug", "properties": { "id": "CID:6918097", "label": "dexniguldipine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918097", "IDG_ID": "837", "FDA_Category_D_L1000_Similarity": -0.636887, "FDA_Category_D_Structural_Similarity": 2.44812, "FDA_Category_D_Weighted_Contribution": 2.05859, "FDA_Category_D_Top_Rank": 0.12474, "FDA_Category_X_L1000_Similarity": 0.95832, "FDA_Category_X_Structural_Similarity": -0.438415, "FDA_Category_X_Weighted_Contribution": -0.0829525, "FDA_Category_X_Top_Rank": -0.0726497, "FDA_Category_D_and_X_L1000_Similarity": -0.257981, "FDA_Category_D_and_X_Structural_Similarity": 1.70654, "FDA_Category_D_and_X_Weighted_Contribution": 1.45695, "FDA_Category_D_and_X_Top_Rank": 0.00488614, "Placenta_Crossing_L1000_Similarity": 0.156131, "Placenta_Crossing_Structural_Similarity": 1.40326, "Placenta_Crossing_Weighted_Contribution": 1.38441, "Placenta_Crossing_Top_Rank": -0.0260327, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC", "InChI_key": "SVJMLYUFVDMUHP-MGBGTMOVSA-N" } }, "CID:69550": { "type": "Drug", "properties": { "id": "CID:69550", "label": "acefylline", "lsm": "LSM-5551", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/69550", "FDA_Category_D_L1000_Similarity": 0.139502, "FDA_Category_D_Structural_Similarity": 1.65726, "FDA_Category_D_Weighted_Contribution": 1.70547, "FDA_Category_D_Top_Rank": 0.00146521, "FDA_Category_X_L1000_Similarity": 0.764226, "FDA_Category_X_Structural_Similarity": 0.217027, "FDA_Category_X_Weighted_Contribution": 0.488219, "FDA_Category_X_Top_Rank": -0.0727205, "FDA_Category_D_and_X_L1000_Similarity": 0.352331, "FDA_Category_D_and_X_Structural_Similarity": 1.4325, "FDA_Category_D_and_X_Weighted_Contribution": 1.52924, "FDA_Category_D_and_X_Top_Rank": -0.0215986, "Placenta_Crossing_L1000_Similarity": 0.438658, "Placenta_Crossing_Structural_Similarity": 2.5748, "Placenta_Crossing_Weighted_Contribution": 2.68835, "Placenta_Crossing_Top_Rank": 0.104474, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O", "InChI_key": "HCYFGRCYSCXKNQ-UHFFFAOYSA-N" } }, "CID:7020214": { "type": "Drug", "properties": { "id": "CID:7020214", "label": "Val-Val-Val", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7020214", "FDA_Category_D_L1000_Similarity": 0.287047, "FDA_Category_D_Structural_Similarity": -0.602865, "FDA_Category_D_Weighted_Contribution": -0.486522, "FDA_Category_D_Top_Rank": -0.0890537, "FDA_Category_X_L1000_Similarity": 0.272507, "FDA_Category_X_Structural_Similarity": -0.621153, "FDA_Category_X_Weighted_Contribution": -0.549844, "FDA_Category_X_Top_Rank": -0.0852192, "FDA_Category_D_and_X_L1000_Similarity": 0.330198, "FDA_Category_D_and_X_Structural_Similarity": -0.813674, "FDA_Category_D_and_X_Weighted_Contribution": -0.642552, "FDA_Category_D_and_X_Top_Rank": -0.0885471, "Placenta_Crossing_L1000_Similarity": 0.147645, "Placenta_Crossing_Structural_Similarity": -0.713308, "Placenta_Crossing_Weighted_Contribution": -0.655141, "Placenta_Crossing_Top_Rank": -0.087113, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:704473": { "type": "Drug", "properties": { "id": "CID:704473", "label": "STF-62247", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/704473", "FDA_Category_D_L1000_Similarity": -1.60486, "FDA_Category_D_Structural_Similarity": -0.154378, "FDA_Category_D_Weighted_Contribution": -0.953344, "FDA_Category_D_Top_Rank": -0.0886233, "FDA_Category_X_L1000_Similarity": 1.03409, "FDA_Category_X_Structural_Similarity": -0.664892, "FDA_Category_X_Weighted_Contribution": -0.259102, "FDA_Category_X_Top_Rank": -0.0704107, "FDA_Category_D_and_X_L1000_Similarity": -1.06938, "FDA_Category_D_and_X_Structural_Similarity": -0.481305, "FDA_Category_D_and_X_Weighted_Contribution": -0.942896, "FDA_Category_D_and_X_Top_Rank": -0.0938222, "Placenta_Crossing_L1000_Similarity": -0.817432, "Placenta_Crossing_Structural_Similarity": -0.563743, "Placenta_Crossing_Weighted_Contribution": -0.887057, "Placenta_Crossing_Top_Rank": -0.0902635, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70680396": { "type": "Drug", "properties": { "id": "CID:70680396", "label": "MW-SHH-28", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680396", "FDA_Category_D_L1000_Similarity": 0.690066, "FDA_Category_D_Structural_Similarity": 1.94455, "FDA_Category_D_Weighted_Contribution": 2.33186, "FDA_Category_D_Top_Rank": 0.0400695, "FDA_Category_X_L1000_Similarity": -0.843729, "FDA_Category_X_Structural_Similarity": -0.491265, "FDA_Category_X_Weighted_Contribution": -0.871887, "FDA_Category_X_Top_Rank": -0.0896648, "FDA_Category_D_and_X_L1000_Similarity": 0.338629, "FDA_Category_D_and_X_Structural_Similarity": 1.27833, "FDA_Category_D_and_X_Weighted_Contribution": 1.35695, "FDA_Category_D_and_X_Top_Rank": -0.0336972, "Placenta_Crossing_L1000_Similarity": 0.156196, "Placenta_Crossing_Structural_Similarity": -0.181859, "Placenta_Crossing_Weighted_Contribution": -0.225452, "Placenta_Crossing_Top_Rank": -0.0856776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:709391": { "type": "Drug", "properties": { "id": "CID:709391", "label": "mw-stk33-2a", "lsm": "LSM-4800", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/709391", "FDA_Category_D_L1000_Similarity": -0.509109, "FDA_Category_D_Structural_Similarity": -0.747972, "FDA_Category_D_Weighted_Contribution": -0.923388, "FDA_Category_D_Top_Rank": -0.0951649, "FDA_Category_X_L1000_Similarity": -2.05538, "FDA_Category_X_Structural_Similarity": -0.59674, "FDA_Category_X_Weighted_Contribution": -1.29194, "FDA_Category_X_Top_Rank": -0.0910357, "FDA_Category_D_and_X_L1000_Similarity": -1.06305, "FDA_Category_D_and_X_Structural_Similarity": -0.915674, "FDA_Category_D_and_X_Weighted_Contribution": -1.17885, "FDA_Category_D_and_X_Top_Rank": -0.0962998, "Placenta_Crossing_L1000_Similarity": -1.1549, "Placenta_Crossing_Structural_Similarity": -0.974337, "Placenta_Crossing_Weighted_Contribution": -1.21236, "Placenta_Crossing_Top_Rank": -0.0919966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)O)O", "InChI_key": "VRONASVIJLMDQP-OQLLNIDSSA-N" } }, "CID:71183": { "type": "Drug", "properties": { "id": "CID:71183", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71183", "label": "methscopolamine", "FDA_Category_D_L1000_Similarity": 0.835277, "FDA_Category_D_Structural_Similarity": 0.741005, "FDA_Category_D_Weighted_Contribution": 1.15177, "FDA_Category_D_Top_Rank": -0.0626924, "FDA_Category_X_L1000_Similarity": 0.276401, "FDA_Category_X_Structural_Similarity": -0.547617, "FDA_Category_X_Weighted_Contribution": -0.487602, "FDA_Category_X_Top_Rank": -0.0851801, "FDA_Category_D_and_X_L1000_Similarity": 0.803955, "FDA_Category_D_and_X_Structural_Similarity": 0.292654, "FDA_Category_D_and_X_Weighted_Contribution": 0.587633, "FDA_Category_D_and_X_Top_Rank": -0.0775917, "Placenta_Crossing_L1000_Similarity": 0.0935945, "Placenta_Crossing_Structural_Similarity": -0.449457, "Placenta_Crossing_Weighted_Contribution": -0.475095, "Placenta_Crossing_Top_Rank": -0.0876122, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "LZCOQTDXKCNBEE-IKIFYQGPSA-N" } }, "CID:71310": { "type": "Drug", "properties": { "id": "CID:71310", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71310", "label": "atipamezole", "FDA_Category_D_L1000_Similarity": 0.860228, "FDA_Category_D_Structural_Similarity": -0.726569, "FDA_Category_D_Weighted_Contribution": -0.310885, "FDA_Category_D_Top_Rank": -0.0733011, "FDA_Category_X_L1000_Similarity": 1.71948, "FDA_Category_X_Structural_Similarity": -0.688831, "FDA_Category_X_Weighted_Contribution": 0.044274, "FDA_Category_X_Top_Rank": -0.0283059, "FDA_Category_D_and_X_L1000_Similarity": 1.2637, "FDA_Category_D_and_X_Structural_Similarity": -0.948378, "FDA_Category_D_and_X_Weighted_Contribution": -0.339992, "FDA_Category_D_and_X_Top_Rank": -0.0502203, "Placenta_Crossing_L1000_Similarity": 0.723206, "Placenta_Crossing_Structural_Similarity": -0.848237, "Placenta_Crossing_Weighted_Contribution": -0.537252, "Placenta_Crossing_Top_Rank": -0.0783158, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CC2=CC=CC=C2C1)C3=CN=CN3", "InChI_key": "HSWPZIDYAHLZDD-UHFFFAOYSA-N" } }, "CID:71360": { "type": "Drug", "properties": { "id": "CID:71360", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71360", "label": "iloperidone", "FDA_Category_D_L1000_Similarity": 0.566642, "FDA_Category_D_Structural_Similarity": -0.536517, "FDA_Category_D_Weighted_Contribution": -0.295297, "FDA_Category_D_Top_Rank": -0.0835798, "FDA_Category_X_L1000_Similarity": 2.20754, "FDA_Category_X_Structural_Similarity": -0.370421, "FDA_Category_X_Weighted_Contribution": 0.635115, "FDA_Category_X_Top_Rank": 0.0525717, "FDA_Category_D_and_X_L1000_Similarity": 1.15884, "FDA_Category_D_and_X_Structural_Similarity": -0.625719, "FDA_Category_D_and_X_Weighted_Contribution": -0.111923, "FDA_Category_D_and_X_Top_Rank": -0.058429, "Placenta_Crossing_L1000_Similarity": 0.844845, "Placenta_Crossing_Structural_Similarity": -0.0877531, "Placenta_Crossing_Weighted_Contribution": 0.185319, "Placenta_Crossing_Top_Rank": -0.0751463, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC", "InChI_key": "XMXHEBAFVSFQEX-UHFFFAOYSA-N" } }, "CID:71447": { "type": "Drug", "properties": { "id": "CID:71447", "label": "talampicillin", "lsm": "LSM-1304", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71447", "FDA_Category_D_L1000_Similarity": 1.83976, "FDA_Category_D_Structural_Similarity": 0.735062, "FDA_Category_D_Weighted_Contribution": 1.78389, "FDA_Category_D_Top_Rank": 0.090214, "FDA_Category_X_L1000_Similarity": -0.658227, "FDA_Category_X_Structural_Similarity": -0.484599, "FDA_Category_X_Weighted_Contribution": -0.801911, "FDA_Category_X_Top_Rank": -0.0895814, "FDA_Category_D_and_X_L1000_Similarity": 1.38602, "FDA_Category_D_and_X_Structural_Similarity": 0.32194, "FDA_Category_D_and_X_Weighted_Contribution": 0.961852, "FDA_Category_D_and_X_Top_Rank": -0.0384555, "Placenta_Crossing_L1000_Similarity": 1.8149, "Placenta_Crossing_Structural_Similarity": 0.265453, "Placenta_Crossing_Weighted_Contribution": 1.06426, "Placenta_Crossing_Top_Rank": 0.00307421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C", "InChI_key": "SOROUYSPFADXSN-SUWVAFIASA-N" } }, "CID:71657455": { "type": "Drug", "properties": { "id": "CID:71657455", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71657455", "label": "ivosidenib", "FDA_Category_D_L1000_Similarity": -0.643125, "FDA_Category_D_Structural_Similarity": 0.727875, "FDA_Category_D_Weighted_Contribution": 0.222194, "FDA_Category_D_Top_Rank": -0.063143, "FDA_Category_X_L1000_Similarity": -0.430357, "FDA_Category_X_Structural_Similarity": -0.205512, "FDA_Category_X_Weighted_Contribution": -0.497241, "FDA_Category_X_Top_Rank": -0.0847081, "FDA_Category_D_and_X_L1000_Similarity": -0.685073, "FDA_Category_D_and_X_Structural_Similarity": 0.46683, "FDA_Category_D_and_X_Weighted_Contribution": -0.0586624, "FDA_Category_D_and_X_Top_Rank": -0.0750204, "Placenta_Crossing_L1000_Similarity": -0.450715, "Placenta_Crossing_Structural_Similarity": 0.366178, "Placenta_Crossing_Weighted_Contribution": -0.00865338, "Placenta_Crossing_Top_Rank": -0.0733616, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N", "InChI_key": "WIJZXSAJMHAVGX-DHLKQENFSA-N" } }, "CID:71771": { "type": "Drug", "properties": { "id": "CID:71771", "label": "aceclofenac", "lsm": "LSM-5762", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71771", "FDA_Category_D_L1000_Similarity": 1.06632, "FDA_Category_D_Structural_Similarity": -0.440043, "FDA_Category_D_Weighted_Contribution": 0.0592755, "FDA_Category_D_Top_Rank": -0.0609083, "FDA_Category_X_L1000_Similarity": 0.488621, "FDA_Category_X_Structural_Similarity": -0.438239, "FDA_Category_X_Weighted_Contribution": -0.3009, "FDA_Category_X_Top_Rank": -0.0826614, "FDA_Category_D_and_X_L1000_Similarity": 1.06757, "FDA_Category_D_and_X_Structural_Similarity": -0.58574, "FDA_Category_D_and_X_Weighted_Contribution": -0.12194, "FDA_Category_D_and_X_Top_Rank": -0.0649925, "Placenta_Crossing_L1000_Similarity": 0.777859, "Placenta_Crossing_Structural_Similarity": -0.745242, "Placenta_Crossing_Weighted_Contribution": -0.433971, "Placenta_Crossing_Top_Rank": -0.076966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl", "InChI_key": "MNIPYSSQXLZQLJ-UHFFFAOYSA-N" } }, "CID:720932": { "type": "Drug", "properties": { "id": "CID:720932", "label": "st-012525", "lsm": "LSM-4714", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/720932", "FDA_Category_D_L1000_Similarity": -0.381273, "FDA_Category_D_Structural_Similarity": -0.772516, "FDA_Category_D_Weighted_Contribution": -0.891352, "FDA_Category_D_Top_Rank": -0.0946269, "FDA_Category_X_L1000_Similarity": 0.209049, "FDA_Category_X_Structural_Similarity": -0.720507, "FDA_Category_X_Weighted_Contribution": -0.654022, "FDA_Category_X_Top_Rank": -0.0858486, "FDA_Category_D_and_X_L1000_Similarity": -0.26518, "FDA_Category_D_and_X_Structural_Similarity": -1.00194, "FDA_Category_D_and_X_Weighted_Contribution": -0.984375, "FDA_Category_D_and_X_Top_Rank": -0.0940193, "Placenta_Crossing_L1000_Similarity": -0.450167, "Placenta_Crossing_Structural_Similarity": -1.03635, "Placenta_Crossing_Weighted_Contribution": -1.05803, "Placenta_Crossing_Top_Rank": -0.0906269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(CC2=C1CCCC2)NC(=S)NC3=CC=CC=C3", "InChI_key": "KTQLCJNJAWZAJD-UHFFFAOYSA-N" } }, "CID:72199292": { "type": "Drug", "properties": { "id": "CID:72199292", "label": "ETP-46464", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72199292", "FDA_Category_D_L1000_Similarity": -1.15912, "FDA_Category_X_L1000_Similarity": -0.00682894, "FDA_Category_D_and_X_L1000_Similarity": -1.00126, "Placenta_Crossing_L1000_Similarity": -0.031984, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:72199293": { "type": "Drug", "properties": { "id": "CID:72199293", "label": "EI1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72199293", "FDA_Category_D_L1000_Similarity": 1.00774, "FDA_Category_X_L1000_Similarity": 1.57249, "FDA_Category_D_and_X_L1000_Similarity": 1.34622, "Placenta_Crossing_L1000_Similarity": -0.047473, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:72201027": { "type": "Drug", "properties": { "id": "CID:72201027", "label": "SGC-CBP30", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72201027", "FDA_Category_D_L1000_Similarity": 0.287716, "FDA_Category_D_Structural_Similarity": 0.902256, "FDA_Category_D_Weighted_Contribution": 0.977694, "FDA_Category_D_Top_Rank": -0.0552386, "FDA_Category_X_L1000_Similarity": -0.213267, "FDA_Category_X_Structural_Similarity": 0.279206, "FDA_Category_X_Weighted_Contribution": 0.0451459, "FDA_Category_X_Top_Rank": -0.0705777, "FDA_Category_D_and_X_L1000_Similarity": 0.183252, "FDA_Category_D_and_X_Structural_Similarity": 0.866791, "FDA_Category_D_and_X_Weighted_Contribution": 0.824421, "FDA_Category_D_and_X_Top_Rank": -0.0603846, "Placenta_Crossing_L1000_Similarity": 1.13732, "Placenta_Crossing_Structural_Similarity": -0.317935, "Placenta_Crossing_Weighted_Contribution": 0.106197, "Placenta_Crossing_Top_Rank": -0.0649838, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:72326": { "type": "Drug", "properties": { "id": "CID:72326", "label": "NSC-4644", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72326", "FDA_Category_D_L1000_Similarity": -1.08649, "FDA_Category_D_Structural_Similarity": 1.35961, "FDA_Category_D_Weighted_Contribution": 0.604367, "FDA_Category_D_Top_Rank": -0.0303513, "FDA_Category_X_L1000_Similarity": 0.226296, "FDA_Category_X_Structural_Similarity": 0.122972, "FDA_Category_X_Weighted_Contribution": 0.108796, "FDA_Category_X_Top_Rank": -0.0763622, "FDA_Category_D_and_X_L1000_Similarity": -0.867843, "FDA_Category_D_and_X_Structural_Similarity": 1.1455, "FDA_Category_D_and_X_Weighted_Contribution": 0.500916, "FDA_Category_D_and_X_Top_Rank": -0.0428561, "Placenta_Crossing_L1000_Similarity": 0.209155, "Placenta_Crossing_Structural_Similarity": 0.0019476, "Placenta_Crossing_Weighted_Contribution": -0.0360073, "Placenta_Crossing_Top_Rank": -0.082306, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:72551585": { "type": "Drug", "properties": { "id": "CID:72551585", "label": "UNC-1999", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72551585", "FDA_Category_D_L1000_Similarity": -1.17595, "FDA_Category_X_L1000_Similarity": 2.19479, "FDA_Category_D_and_X_L1000_Similarity": -0.347163, "Placenta_Crossing_L1000_Similarity": -1.30893, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73265211": { "type": "Drug", "properties": { "id": "CID:73265211", "label": "xmd-1499", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73265211", "FDA_Category_D_L1000_Similarity": -0.750381, "FDA_Category_D_Structural_Similarity": 1.32327, "FDA_Category_D_Weighted_Contribution": 0.775419, "FDA_Category_D_Top_Rank": -0.0327595, "FDA_Category_X_L1000_Similarity": -1.27446, "FDA_Category_X_Structural_Similarity": -0.0892683, "FDA_Category_X_Weighted_Contribution": -0.73839, "FDA_Category_X_Top_Rank": -0.0820177, "FDA_Category_D_and_X_L1000_Similarity": -1.03387, "FDA_Category_D_and_X_Structural_Similarity": 1.00213, "FDA_Category_D_and_X_Weighted_Contribution": 0.263595, "FDA_Category_D_and_X_Top_Rank": -0.0530706, "Placenta_Crossing_L1000_Similarity": -1.36378, "Placenta_Crossing_Structural_Similarity": 0.100191, "Placenta_Crossing_Weighted_Contribution": -0.620767, "Placenta_Crossing_Top_Rank": -0.0800329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=C(S3)C(=O)C4=C(C=CC=C4Cl)Cl)N)OC", "InChI_key": "UISRWLSAXIOCND-UHFFFAOYSA-N" } }, "CID:73265276": { "type": "Drug", "properties": { "id": "CID:73265276", "label": "wz-7043", "lsm": "LSM-5749", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73265276", "FDA_Category_D_L1000_Similarity": 1.26701, "FDA_Category_D_Structural_Similarity": -0.925478, "FDA_Category_D_Weighted_Contribution": -0.276992, "FDA_Category_D_Top_Rank": -0.0419776, "FDA_Category_X_L1000_Similarity": 1.64225, "FDA_Category_X_Structural_Similarity": -0.32603, "FDA_Category_X_Weighted_Contribution": 0.377267, "FDA_Category_X_Top_Rank": -0.0361689, "FDA_Category_D_and_X_L1000_Similarity": 1.59092, "FDA_Category_D_and_X_Structural_Similarity": -0.910489, "FDA_Category_D_and_X_Weighted_Contribution": -0.149887, "FDA_Category_D_and_X_Top_Rank": -0.00844943, "Placenta_Crossing_L1000_Similarity": 1.16039, "Placenta_Crossing_Structural_Similarity": -0.862082, "Placenta_Crossing_Weighted_Contribution": -0.370787, "Placenta_Crossing_Top_Rank": -0.0638809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)C)C3=C(C(=CC(=C3Cl)OC)OC)Cl", "InChI_key": "NHOUHWHGHAFDOP-UHFFFAOYSA-N" } }, "CID:73333": { "type": "Drug", "properties": { "id": "CID:73333", "label": "amperozide", "lsm": "LSM-3159", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73333", "IDG_ID": "193", "FDA_Category_D_L1000_Similarity": -0.171992, "FDA_Category_D_Structural_Similarity": -0.482898, "FDA_Category_D_Weighted_Contribution": -0.602488, "FDA_Category_D_Top_Rank": -0.0935161, "FDA_Category_X_L1000_Similarity": 1.52345, "FDA_Category_X_Structural_Similarity": -0.555897, "FDA_Category_X_Weighted_Contribution": 0.0789486, "FDA_Category_X_Top_Rank": -0.0453988, "FDA_Category_D_and_X_L1000_Similarity": 0.314386, "FDA_Category_D_and_X_Structural_Similarity": -0.683243, "FDA_Category_D_and_X_Weighted_Contribution": -0.552291, "FDA_Category_D_and_X_Top_Rank": -0.0887421, "Placenta_Crossing_L1000_Similarity": -0.515764, "Placenta_Crossing_Structural_Similarity": 0.127865, "Placenta_Crossing_Weighted_Contribution": -0.252538, "Placenta_Crossing_Top_Rank": -0.0793667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F", "InChI_key": "NNAIYOXJNVGUOM-UHFFFAOYSA-N" } }, "CID:73364": { "type": "Drug", "properties": { "id": "CID:73364", "label": "calpeptin", "lsm": "LSM-2570", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73364", "FDA_Category_D_L1000_Similarity": 0.692095, "FDA_Category_D_Structural_Similarity": -0.663986, "FDA_Category_D_Weighted_Contribution": -0.341466, "FDA_Category_D_Top_Rank": -0.0798737, "FDA_Category_X_L1000_Similarity": 0.366254, "FDA_Category_X_Structural_Similarity": -0.602824, "FDA_Category_X_Weighted_Contribution": -0.496145, "FDA_Category_X_Top_Rank": -0.0841859, "FDA_Category_D_and_X_L1000_Similarity": 0.707819, "FDA_Category_D_and_X_Structural_Similarity": -0.852296, "FDA_Category_D_and_X_Weighted_Contribution": -0.512844, "FDA_Category_D_and_X_Top_Rank": -0.0810184, "Placenta_Crossing_L1000_Similarity": 0.74536, "Placenta_Crossing_Structural_Similarity": -0.898752, "Placenta_Crossing_Weighted_Contribution": -0.56737, "Placenta_Crossing_Top_Rank": -0.0777766, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1", "InChI_key": "PGGUOGKHUUUWAF-ROUUACIJSA-N" } }, "CID:73652146": { "type": "Drug", "properties": { "id": "CID:73652146", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73652146", "label": "Ionomycin", "FDA_Category_D_L1000_Similarity": -1.61634, "FDA_Category_D_Structural_Similarity": 0.217463, "FDA_Category_D_Weighted_Contribution": -0.709825, "FDA_Category_D_Top_Rank": -0.0794126, "FDA_Category_X_L1000_Similarity": -2.12617, "FDA_Category_X_Structural_Similarity": 0.358722, "FDA_Category_X_Weighted_Contribution": -0.72213, "FDA_Category_X_Top_Rank": -0.067327, "FDA_Category_D_and_X_L1000_Similarity": -2.03899, "FDA_Category_D_and_X_Structural_Similarity": 0.366168, "FDA_Category_D_and_X_Weighted_Contribution": -0.747149, "FDA_Category_D_and_X_Top_Rank": -0.0778596, "Placenta_Crossing_L1000_Similarity": -2.00813, "Placenta_Crossing_Structural_Similarity": 0.16768, "Placenta_Crossing_Weighted_Contribution": -0.803903, "Placenta_Crossing_Top_Rank": -0.0785713, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707348": { "type": "Drug", "properties": { "id": "CID:73707348", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707348", "label": "Anthothecol", "FDA_Category_D_L1000_Similarity": -1.33392, "FDA_Category_D_Structural_Similarity": 0.793203, "FDA_Category_D_Weighted_Contribution": -0.102343, "FDA_Category_D_Top_Rank": -0.0607838, "FDA_Category_X_L1000_Similarity": -2.07048, "FDA_Category_X_Structural_Similarity": 0.427966, "FDA_Category_X_Weighted_Contribution": -0.647976, "FDA_Category_X_Top_Rank": -0.0647757, "FDA_Category_D_and_X_L1000_Similarity": -1.77863, "FDA_Category_D_and_X_Structural_Similarity": 0.860504, "FDA_Category_D_and_X_Weighted_Contribution": -0.252676, "FDA_Category_D_and_X_Top_Rank": -0.0606991, "Placenta_Crossing_L1000_Similarity": -2.4312, "Placenta_Crossing_Structural_Similarity": 1.87035, "Placenta_Crossing_Weighted_Contribution": 0.482436, "Placenta_Crossing_Top_Rank": 0.0181207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707357": { "type": "Drug", "properties": { "id": "CID:73707357", "label": "mebhydrolin", "lsm": "LSM-6050", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707357", "smiles": "CN1CCC2=C(C1)C1=C(C=CC=C1)N2CC1=CC=CC=C1", "IDG_ID": "1643", "FDA_Category_D_L1000_Similarity": 0.971415, "FDA_Category_D_Structural_Similarity": -0.420631, "FDA_Category_D_Weighted_Contribution": 0.0247789, "FDA_Category_D_Top_Rank": -0.0668564, "FDA_Category_X_L1000_Similarity": 0.513011, "FDA_Category_X_Structural_Similarity": 0.102322, "FDA_Category_X_Weighted_Contribution": 0.234075, "FDA_Category_X_Top_Rank": -0.0770458, "FDA_Category_D_and_X_L1000_Similarity": 0.993169, "FDA_Category_D_and_X_Structural_Similarity": -0.278648, "FDA_Category_D_and_X_Weighted_Contribution": 0.123574, "FDA_Category_D_and_X_Top_Rank": -0.069563, "Placenta_Crossing_L1000_Similarity": -0.054277, "Placenta_Crossing_Structural_Similarity": 0.363976, "Placenta_Crossing_Weighted_Contribution": 0.181027, "Placenta_Crossing_Top_Rank": -0.0734648, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707358": { "type": "Drug", "properties": { "id": "CID:73707358", "label": "debrisoquine", "lsm": "LSM-6036", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707358", "FDA_Category_D_L1000_Similarity": -0.251412, "FDA_Category_D_Structural_Similarity": -0.135723, "FDA_Category_D_Weighted_Contribution": -0.361936, "FDA_Category_D_Top_Rank": -0.0882665, "FDA_Category_X_L1000_Similarity": 0.41409, "FDA_Category_X_Structural_Similarity": -0.598158, "FDA_Category_X_Weighted_Contribution": -0.472216, "FDA_Category_X_Top_Rank": -0.0836057, "FDA_Category_D_and_X_L1000_Similarity": -0.0909798, "FDA_Category_D_and_X_Structural_Similarity": -0.430489, "FDA_Category_D_and_X_Weighted_Contribution": -0.532831, "FDA_Category_D_and_X_Top_Rank": -0.0929199, "Placenta_Crossing_L1000_Similarity": 0.448139, "Placenta_Crossing_Structural_Similarity": -0.60909, "Placenta_Crossing_Weighted_Contribution": -0.458979, "Placenta_Crossing_Top_Rank": -0.0838053, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707395": { "type": "Drug", "properties": { "id": "CID:73707395", "label": "rhizocarpic-acid", "lsm": "LSM-1348", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707395", "FDA_Category_D_L1000_Similarity": -0.136094, "FDA_Category_D_Structural_Similarity": -0.231866, "FDA_Category_D_Weighted_Contribution": -0.385896, "FDA_Category_D_Top_Rank": -0.090131, "FDA_Category_X_L1000_Similarity": 2.33664, "FDA_Category_X_Structural_Similarity": -0.686358, "FDA_Category_X_Weighted_Contribution": 0.363648, "FDA_Category_X_Top_Rank": 0.0882651, "FDA_Category_D_and_X_L1000_Similarity": 0.592268, "FDA_Category_D_and_X_Structural_Similarity": -0.554391, "FDA_Category_D_and_X_Weighted_Contribution": -0.325331, "FDA_Category_D_and_X_Top_Rank": -0.0836842, "Placenta_Crossing_L1000_Similarity": 0.847624, "Placenta_Crossing_Structural_Similarity": -0.495807, "Placenta_Crossing_Weighted_Contribution": -0.193134, "Placenta_Crossing_Top_Rank": -0.0750667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C(CC1=CC=CC=C1)NC(=O)C(=C2C(=O)C(C(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4", "InChI_key": "DGBXJRCEHHYSJC-OANJBFNESA-N" } }, "CID:73707398": { "type": "Drug", "properties": { "id": "CID:73707398", "label": "md-040", "lsm": "LSM-4821", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707398", "FDA_Category_D_L1000_Similarity": 0.138033, "FDA_Category_X_L1000_Similarity": -1.1752, "FDA_Category_D_and_X_L1000_Similarity": -0.237902, "Placenta_Crossing_L1000_Similarity": -0.116588, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC)CCOC3=C(C=C(C=C3OC)C=CC(=O)N4CCC=CC4=O)OC", "InChI_key": "RTMCABLCJUSQFP-QUMQEAAQSA-N" } }, "CID:73707408": { "type": "Drug", "properties": { "id": "CID:73707408", "label": "megestrol", "lsm": "LSM-1486", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707408", "FDA_Category_D_L1000_Similarity": -1.09524, "FDA_Category_X_L1000_Similarity": 0.88279, "FDA_Category_D_and_X_L1000_Similarity": -0.676029, "Placenta_Crossing_L1000_Similarity": -1.45436, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C", "InChI_key": "RQZAXGRLVPAYTJ-CNILUYSSSA-N" } }, "CID:73707419": { "type": "Drug", "properties": { "id": "CID:73707419", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707419", "label": "chromomycin-a3", "FDA_Category_D_L1000_Similarity": 0.451491, "FDA_Category_D_Structural_Similarity": -0.594389, "FDA_Category_D_Weighted_Contribution": -0.401221, "FDA_Category_D_Top_Rank": -0.0862174, "FDA_Category_X_L1000_Similarity": -1.10045, "FDA_Category_X_Structural_Similarity": -0.545395, "FDA_Category_X_Weighted_Contribution": -0.992916, "FDA_Category_X_Top_Rank": -0.0904188, "FDA_Category_D_and_X_L1000_Similarity": 0.05501, "FDA_Category_D_and_X_Structural_Similarity": -0.766067, "FDA_Category_D_and_X_Weighted_Contribution": -0.71841, "FDA_Category_D_and_X_Top_Rank": -0.0916978, "Placenta_Crossing_L1000_Similarity": -0.704285, "Placenta_Crossing_Structural_Similarity": -0.76586, "Placenta_Crossing_Weighted_Contribution": -0.976201, "Placenta_Crossing_Top_Rank": -0.0913148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(OC(CC1(C)O)OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)OC4C(CC5=C(C4=O)C(=C6C(=C5)C=C(C(=C6O)C)OC7CC(C(C(O7)C)OC(=O)C)OC8CC(C(C(O8)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)C", "InChI_key": "LNGHEQSPMNWBCU-RUGPHKIXSA-N" } }, "CID:73707420": { "type": "Drug", "properties": { "id": "CID:73707420", "label": "ei-247", "lsm": "LSM-5466", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707420", "FDA_Category_D_L1000_Similarity": 1.1464, "FDA_Category_D_Structural_Similarity": -0.622448, "FDA_Category_D_Weighted_Contribution": -0.0684297, "FDA_Category_D_Top_Rank": -0.0540096, "FDA_Category_X_L1000_Similarity": 1.51751, "FDA_Category_X_Structural_Similarity": 1.22078, "FDA_Category_X_Weighted_Contribution": 2.03713, "FDA_Category_X_Top_Rank": -0.0266561, "FDA_Category_D_and_X_L1000_Similarity": 1.44906, "FDA_Category_D_and_X_Structural_Similarity": 0.164681, "FDA_Category_D_and_X_Weighted_Contribution": 0.832314, "FDA_Category_D_and_X_Top_Rank": -0.0305452, "Placenta_Crossing_L1000_Similarity": 1.72119, "Placenta_Crossing_Structural_Similarity": 0.395476, "Placenta_Crossing_Weighted_Contribution": 1.15338, "Placenta_Crossing_Top_Rank": -0.0126492, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O", "InChI_key": "AMJJLDJPDLKNJA-NSHDSACASA-N" } }, "CID:73707436": { "type": "Drug", "properties": { "id": "CID:73707436", "label": "yl-52", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707436", "FDA_Category_D_L1000_Similarity": 0.513946, "FDA_Category_D_Structural_Similarity": 0.639621, "FDA_Category_D_Weighted_Contribution": 0.83652, "FDA_Category_D_Top_Rank": -0.0661556, "FDA_Category_X_L1000_Similarity": -0.140424, "FDA_Category_X_Structural_Similarity": 0.30294, "FDA_Category_X_Weighted_Contribution": 0.105234, "FDA_Category_X_Top_Rank": -0.0697363, "FDA_Category_D_and_X_L1000_Similarity": 0.400383, "FDA_Category_D_and_X_Structural_Similarity": 0.671141, "FDA_Category_D_and_X_Weighted_Contribution": 0.746453, "FDA_Category_D_and_X_Top_Rank": -0.0682651, "Placenta_Crossing_L1000_Similarity": -0.218669, "Placenta_Crossing_Structural_Similarity": 0.565832, "Placenta_Crossing_Weighted_Contribution": 0.297878, "Placenta_Crossing_Top_Rank": -0.0677686, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(=O)NC1(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCSC)CC(C)C)CC(C)C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)CCNC(=O)C", "InChI_key": "DNJXIKBPVUVUQW-ROMPLJNRSA-N" } }, "CID:73707437": { "type": "Drug", "properties": { "id": "CID:73707437", "label": "yl-53", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707437", "FDA_Category_D_L1000_Similarity": -0.0460014, "FDA_Category_D_Structural_Similarity": 0.61273, "FDA_Category_D_Weighted_Contribution": 0.460389, "FDA_Category_D_Top_Rank": -0.0670841, "FDA_Category_X_L1000_Similarity": 0.580689, "FDA_Category_X_Structural_Similarity": 0.389707, "FDA_Category_X_Weighted_Contribution": 0.57598, "FDA_Category_X_Top_Rank": -0.0662701, "FDA_Category_D_and_X_L1000_Similarity": 0.136693, "FDA_Category_D_and_X_Structural_Similarity": 0.696616, "FDA_Category_D_and_X_Weighted_Contribution": 0.618628, "FDA_Category_D_and_X_Top_Rank": -0.0672461, "Placenta_Crossing_L1000_Similarity": 0.786367, "Placenta_Crossing_Structural_Similarity": 0.71586, "Placenta_Crossing_Weighted_Contribution": 0.987307, "Placenta_Crossing_Top_Rank": -0.0625849, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC=CCCCC(C(=O)N1)(C)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)CCNC(=O)C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N)CC(C)C)CC(C)C", "InChI_key": "WIYXXSJAZGSVLH-QJUVQLQESA-N" } }, "CID:73707441": { "type": "Drug", "properties": { "id": "CID:73707441", "label": "yl-60", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707441", "FDA_Category_D_L1000_Similarity": 0.290515, "FDA_Category_D_Structural_Similarity": 0.403425, "FDA_Category_D_Weighted_Contribution": 0.447713, "FDA_Category_D_Top_Rank": -0.07429, "FDA_Category_X_L1000_Similarity": 0.470204, "FDA_Category_X_Structural_Similarity": 0.304315, "FDA_Category_X_Weighted_Contribution": 0.42395, "FDA_Category_X_Top_Rank": -0.0696626, "FDA_Category_D_and_X_L1000_Similarity": 0.393216, "FDA_Category_D_and_X_Structural_Similarity": 0.48441, "FDA_Category_D_and_X_Weighted_Contribution": 0.547925, "FDA_Category_D_and_X_Top_Rank": -0.0743769, "Placenta_Crossing_L1000_Similarity": 0.871535, "Placenta_Crossing_Structural_Similarity": 0.488001, "Placenta_Crossing_Weighted_Contribution": 0.789555, "Placenta_Crossing_Top_Rank": -0.069902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC1(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)(C)C(=O)NC(CCCNC(=N)N)C(=O)N)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)C", "InChI_key": "CSGSLCIDEQTPMX-QACXXOHDSA-N" } }, "CID:73707445": { "type": "Drug", "properties": { "id": "CID:73707445", "label": "nicardipine", "lsm": "LSM-1418", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707445", "IDG_ID": "1909", "FDA_Category_D_L1000_Similarity": 1.12232, "FDA_Category_D_Structural_Similarity": -0.00902164, "FDA_Category_D_Weighted_Contribution": 0.52534, "FDA_Category_D_Top_Rank": -0.0561401, "FDA_Category_X_L1000_Similarity": 1.87206, "FDA_Category_X_Structural_Similarity": 0.174069, "FDA_Category_X_Weighted_Contribution": 1.05722, "FDA_Category_X_Top_Rank": -0.0104138, "FDA_Category_D_and_X_L1000_Similarity": 1.53597, "FDA_Category_D_and_X_Structural_Similarity": 0.0867664, "FDA_Category_D_and_X_Weighted_Contribution": 0.801453, "FDA_Category_D_and_X_Top_Rank": -0.0179789, "Placenta_Crossing_L1000_Similarity": 1.72664, "Placenta_Crossing_Structural_Similarity": 2.88812, "Placenta_Crossing_Weighted_Contribution": 3.38954, "Placenta_Crossing_Top_Rank": 0.168412, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=C(C(C1C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C", "InChI_key": "UXVSDVSUISWXKD-UHFFFAOYSA-N" } }, "CID:73707447": { "type": "Drug", "properties": { "id": "CID:73707447", "label": "lanatoside-c", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707447", "FDA_Category_D_L1000_Similarity": -0.375421, "FDA_Category_D_Structural_Similarity": 0.41749, "FDA_Category_D_Weighted_Contribution": 0.0720103, "FDA_Category_D_Top_Rank": -0.0738935, "FDA_Category_X_L1000_Similarity": -1.83922, "FDA_Category_X_Structural_Similarity": 0.677858, "FDA_Category_X_Weighted_Contribution": -0.344281, "FDA_Category_X_Top_Rank": -0.0547804, "FDA_Category_D_and_X_L1000_Similarity": -0.882153, "FDA_Category_D_and_X_Structural_Similarity": 0.697137, "FDA_Category_D_and_X_Weighted_Contribution": 0.0521567, "FDA_Category_D_and_X_Top_Rank": -0.0672238, "Placenta_Crossing_L1000_Similarity": -1.37491, "Placenta_Crossing_Structural_Similarity": 1.93911, "Placenta_Crossing_Weighted_Contribution": 1.12415, "Placenta_Crossing_Top_Rank": 0.0241801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707461": { "type": "Drug", "properties": { "id": "CID:73707461", "label": "flucloxacillin", "lsm": "LSM-1327", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707461", "FDA_Category_D_L1000_Similarity": 1.24071, "FDA_Category_D_Structural_Similarity": -0.269249, "FDA_Category_D_Weighted_Contribution": 0.32864, "FDA_Category_D_Top_Rank": -0.0447742, "FDA_Category_X_L1000_Similarity": -1.22747, "FDA_Category_X_Structural_Similarity": -0.00790187, "FDA_Category_X_Weighted_Contribution": -0.658854, "FDA_Category_X_Top_Rank": -0.080008, "FDA_Category_D_and_X_L1000_Similarity": 0.696764, "FDA_Category_D_and_X_Structural_Similarity": -0.21797, "FDA_Category_D_and_X_Weighted_Contribution": 0.0240911, "FDA_Category_D_and_X_Top_Rank": -0.0813019, "Placenta_Crossing_L1000_Similarity": 1.52591, "Placenta_Crossing_Structural_Similarity": 5.68388, "Placenta_Crossing_Weighted_Contribution": 4.25183, "Placenta_Crossing_Top_Rank": 1.56776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707473": { "type": "Drug", "properties": { "id": "CID:73707473", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707473", "label": "Ribostamycin", "FDA_Category_D_L1000_Similarity": -0.104935, "FDA_Category_D_Structural_Similarity": 1.91548, "FDA_Category_D_Weighted_Contribution": 1.82806, "FDA_Category_D_Top_Rank": 0.0362462, "FDA_Category_X_L1000_Similarity": 0.0133129, "FDA_Category_X_Structural_Similarity": 0.598929, "FDA_Category_X_Weighted_Contribution": 0.494849, "FDA_Category_X_Top_Rank": -0.0579081, "FDA_Category_D_and_X_L1000_Similarity": -0.0864045, "FDA_Category_D_and_X_Structural_Similarity": 1.84352, "FDA_Category_D_and_X_Weighted_Contribution": 1.70296, "FDA_Category_D_and_X_Top_Rank": 0.0186059, "Placenta_Crossing_L1000_Similarity": 0.561388, "Placenta_Crossing_Structural_Similarity": 2.34198, "Placenta_Crossing_Weighted_Contribution": 2.53857, "Placenta_Crossing_Top_Rank": 0.0677713, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707475": { "type": "Drug", "properties": { "id": "CID:73707475", "label": "bacampicilline", "lsm": "LSM-5027", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707475", "FDA_Category_D_L1000_Similarity": -0.147131, "FDA_Category_D_Structural_Similarity": 3.54708, "FDA_Category_D_Weighted_Contribution": 3.2561, "FDA_Category_D_Top_Rank": 0.375399, "FDA_Category_X_L1000_Similarity": 0.00690456, "FDA_Category_X_Structural_Similarity": 0.488373, "FDA_Category_X_Weighted_Contribution": 0.373096, "FDA_Category_X_Top_Rank": -0.0624256, "FDA_Category_D_and_X_L1000_Similarity": -0.124737, "FDA_Category_D_and_X_Structural_Similarity": 3.07889, "FDA_Category_D_and_X_Weighted_Contribution": 2.83685, "FDA_Category_D_and_X_Top_Rank": 0.234712, "Placenta_Crossing_L1000_Similarity": -0.0883239, "Placenta_Crossing_Structural_Similarity": 3.035, "Placenta_Crossing_Weighted_Contribution": 2.8486, "Placenta_Crossing_Top_Rank": 0.207593, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707477": { "type": "Drug", "properties": { "id": "CID:73707477", "label": "pivmecillinam", "lsm": "LSM-3494", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707477", "FDA_Category_D_L1000_Similarity": 1.11199, "FDA_Category_D_Structural_Similarity": -0.451925, "FDA_Category_D_Weighted_Contribution": 0.073538, "FDA_Category_D_Top_Rank": -0.0571927, "FDA_Category_X_L1000_Similarity": 0.633163, "FDA_Category_X_Structural_Similarity": -0.501565, "FDA_Category_X_Weighted_Contribution": -0.292818, "FDA_Category_X_Top_Rank": -0.0805193, "FDA_Category_D_and_X_L1000_Similarity": 1.15083, "FDA_Category_D_and_X_Structural_Similarity": -0.629341, "FDA_Category_D_and_X_Weighted_Contribution": -0.119195, "FDA_Category_D_and_X_Top_Rank": -0.0592123, "Placenta_Crossing_L1000_Similarity": 0.78103, "Placenta_Crossing_Structural_Similarity": -0.0577226, "Placenta_Crossing_Weighted_Contribution": 0.183034, "Placenta_Crossing_Top_Rank": -0.0768473, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707482": { "type": "Drug", "properties": { "id": "CID:73707482", "label": "vancomycin", "lsm": "LSM-4992", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707482", "smiles": "CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC=C(O4)C(Cl)=C1)C(O)=O)C(Cl)=C2", "IDG_ID": "2807", "FDA_Category_D_L1000_Similarity": -0.200202, "FDA_Category_D_Structural_Similarity": -0.503776, "FDA_Category_D_Weighted_Contribution": -0.630655, "FDA_Category_D_Top_Rank": -0.0936854, "FDA_Category_X_L1000_Similarity": 0.0210828, "FDA_Category_X_Structural_Similarity": -0.569133, "FDA_Category_X_Weighted_Contribution": -0.609095, "FDA_Category_X_Top_Rank": -0.087467, "FDA_Category_D_and_X_L1000_Similarity": -0.166167, "FDA_Category_D_and_X_Structural_Similarity": -0.706955, "FDA_Category_D_and_X_Weighted_Contribution": -0.763027, "FDA_Category_D_and_X_Top_Rank": -0.0934349, "Placenta_Crossing_L1000_Similarity": -0.194157, "Placenta_Crossing_Structural_Similarity": -0.61242, "Placenta_Crossing_Weighted_Contribution": -0.70727, "Placenta_Crossing_Top_Rank": -0.0895515, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:73707504": { "type": "Drug", "properties": { "id": "CID:73707504", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707504", "label": "Etiocholanolone", "FDA_Category_D_L1000_Similarity": -0.64964, "FDA_Category_D_Structural_Similarity": 1.68799, "FDA_Category_D_Weighted_Contribution": 1.23656, "FDA_Category_D_Top_Rank": 0.00400207, "FDA_Category_X_L1000_Similarity": -0.492798, "FDA_Category_X_Structural_Similarity": 3.69687, "FDA_Category_X_Weighted_Contribution": 3.38758, "FDA_Category_X_Top_Rank": 0.433332, "FDA_Category_D_and_X_L1000_Similarity": -0.709652, "FDA_Category_D_and_X_Structural_Similarity": 3.3346, "FDA_Category_D_and_X_Weighted_Contribution": 2.77901, "FDA_Category_D_and_X_Top_Rank": 0.304179, "Placenta_Crossing_L1000_Similarity": 0.054974, "Placenta_Crossing_Structural_Similarity": 0.257722, "Placenta_Crossing_Weighted_Contribution": 0.131746, "Placenta_Crossing_Top_Rank": -0.0762519, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707508": { "type": "Drug", "properties": { "id": "CID:73707508", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707508", "label": "Lynestrenol", "FDA_Category_D_L1000_Similarity": 0.161868, "FDA_Category_D_Structural_Similarity": -0.319362, "FDA_Category_D_Weighted_Contribution": -0.312378, "FDA_Category_D_Top_Rank": -0.0906346, "FDA_Category_X_L1000_Similarity": 0.501683, "FDA_Category_X_Structural_Similarity": 14.7457, "FDA_Category_X_Weighted_Contribution": 4.72722, "FDA_Category_X_Top_Rank": 26.998, "FDA_Category_D_and_X_L1000_Similarity": 0.291881, "FDA_Category_D_and_X_Structural_Similarity": 7.70324, "FDA_Category_D_and_X_Weighted_Contribution": 4.33255, "FDA_Category_D_and_X_Top_Rank": 6.27677, "Placenta_Crossing_L1000_Similarity": -0.0765916, "Placenta_Crossing_Structural_Similarity": 2.83541, "Placenta_Crossing_Weighted_Contribution": 2.68767, "Placenta_Crossing_Top_Rank": 0.157088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707519": { "type": "Drug", "properties": { "id": "CID:73707519", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707519", "label": "Chlortetracycline", "FDA_Category_D_L1000_Similarity": 0.621188, "FDA_Category_D_Structural_Similarity": 1.97788, "FDA_Category_D_Weighted_Contribution": 2.32505, "FDA_Category_D_Top_Rank": 0.0441085, "FDA_Category_X_L1000_Similarity": -0.0620444, "FDA_Category_X_Structural_Similarity": -0.118386, "FDA_Category_X_Weighted_Contribution": -0.260926, "FDA_Category_X_Top_Rank": -0.0827601, "FDA_Category_D_and_X_L1000_Similarity": 0.51663, "FDA_Category_D_and_X_Structural_Similarity": 1.50599, "FDA_Category_D_and_X_Weighted_Contribution": 1.70349, "FDA_Category_D_and_X_Top_Rank": -0.0142976, "Placenta_Crossing_L1000_Similarity": 0.0847482, "Placenta_Crossing_Structural_Similarity": -0.214293, "Placenta_Crossing_Weighted_Contribution": -0.28481, "Placenta_Crossing_Top_Rank": -0.0861251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707524": { "type": "Drug", "properties": { "id": "CID:73707524", "label": "stanozolol", "lsm": "LSM-5853", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707524", "smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC5=C(C[C@]4(C)[C@H]3CC[C@]12C)C=NN5", "IDG_ID": "2477", "FDA_Category_D_L1000_Similarity": -0.306301, "FDA_Category_D_Structural_Similarity": -0.896148, "FDA_Category_D_Weighted_Contribution": -0.941796, "FDA_Category_D_Top_Rank": -0.0942644, "FDA_Category_X_L1000_Similarity": 0.747225, "FDA_Category_X_Structural_Similarity": 0.204805, "FDA_Category_X_Weighted_Contribution": 0.465886, "FDA_Category_X_Top_Rank": -0.0731367, "FDA_Category_D_and_X_L1000_Similarity": -0.0371196, "FDA_Category_D_and_X_Structural_Similarity": -0.600772, "FDA_Category_D_and_X_Weighted_Contribution": -0.637468, "FDA_Category_D_and_X_Top_Rank": -0.0925114, "Placenta_Crossing_L1000_Similarity": -0.22119, "Placenta_Crossing_Structural_Similarity": -0.00442375, "Placenta_Crossing_Weighted_Contribution": -0.237663, "Placenta_Crossing_Top_Rank": -0.0824329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:73707545": { "type": "Drug", "properties": { "id": "CID:73707545", "label": "BG-1028", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707545", "FDA_Category_D_L1000_Similarity": -0.110785, "FDA_Category_D_Structural_Similarity": 1.4774, "FDA_Category_D_Weighted_Contribution": 1.35142, "FDA_Category_D_Top_Rank": -0.0195455, "FDA_Category_X_L1000_Similarity": 0.591309, "FDA_Category_X_Structural_Similarity": -0.253904, "FDA_Category_X_Weighted_Contribution": -0.0821308, "FDA_Category_X_Top_Rank": -0.0811314, "FDA_Category_D_and_X_L1000_Similarity": 0.0840736, "FDA_Category_D_and_X_Structural_Similarity": 1.03562, "FDA_Category_D_and_X_Weighted_Contribution": 0.944649, "FDA_Category_D_and_X_Top_Rank": -0.0508446, "Placenta_Crossing_L1000_Similarity": 0.0200564, "Placenta_Crossing_Structural_Similarity": 0.261461, "Placenta_Crossing_Weighted_Contribution": 0.118292, "Placenta_Crossing_Top_Rank": -0.0761797, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:76033918": { "type": "Drug", "properties": { "id": "CID:76033918", "label": "methylstat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/76033918", "FDA_Category_D_L1000_Similarity": 0.0978072, "FDA_Category_D_Structural_Similarity": -0.794889, "FDA_Category_D_Weighted_Contribution": -0.715967, "FDA_Category_D_Top_Rank": -0.0913403, "FDA_Category_X_L1000_Similarity": 0.842724, "FDA_Category_X_Structural_Similarity": -0.64992, "FDA_Category_X_Weighted_Contribution": -0.331645, "FDA_Category_X_Top_Rank": -0.0758601, "FDA_Category_D_and_X_L1000_Similarity": 0.340233, "FDA_Category_D_and_X_Structural_Similarity": -0.981609, "FDA_Category_D_and_X_Weighted_Contribution": -0.756757, "FDA_Category_D_and_X_Top_Rank": -0.088388, "Placenta_Crossing_L1000_Similarity": 0.295344, "Placenta_Crossing_Structural_Similarity": -0.933467, "Placenta_Crossing_Weighted_Contribution": -0.758089, "Placenta_Crossing_Top_Rank": -0.0857027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:76525291": { "type": "Drug", "properties": { "id": "CID:76525291", "label": "RG7112", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/76525291", "FDA_Category_D_L1000_Similarity": -1.97033, "FDA_Category_D_Structural_Similarity": -0.824573, "FDA_Category_D_Weighted_Contribution": -1.39936, "FDA_Category_D_Top_Rank": -0.0966069, "FDA_Category_X_L1000_Similarity": -1.79308, "FDA_Category_X_Structural_Similarity": -0.243965, "FDA_Category_X_Weighted_Contribution": -1.0214, "FDA_Category_X_Top_Rank": -0.0854226, "FDA_Category_D_and_X_L1000_Similarity": -2.24299, "FDA_Category_D_and_X_Structural_Similarity": -0.786117, "FDA_Category_D_and_X_Weighted_Contribution": -1.40925, "FDA_Category_D_and_X_Top_Rank": -0.0958845, "Placenta_Crossing_L1000_Similarity": -2.82189, "Placenta_Crossing_Structural_Similarity": -0.771889, "Placenta_Crossing_Weighted_Contribution": -1.47864, "Placenta_Crossing_Top_Rank": -0.0916212, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:800654": { "type": "Drug", "properties": { "id": "CID:800654", "label": "arg-a1-22", "lsm": "LSM-4046", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/800654", "FDA_Category_D_L1000_Similarity": -0.686864, "FDA_Category_D_Structural_Similarity": 0.402315, "FDA_Category_D_Weighted_Contribution": -0.11332, "FDA_Category_D_Top_Rank": -0.0743189, "FDA_Category_X_L1000_Similarity": -1.51117, "FDA_Category_X_Structural_Similarity": 0.596946, "FDA_Category_X_Weighted_Contribution": -0.269834, "FDA_Category_X_Top_Rank": -0.0579967, "FDA_Category_D_and_X_L1000_Similarity": -1.051, "FDA_Category_D_and_X_Structural_Similarity": 0.641432, "FDA_Category_D_and_X_Weighted_Contribution": -0.0863602, "FDA_Category_D_and_X_Top_Rank": -0.0692874, "Placenta_Crossing_L1000_Similarity": -0.0792734, "Placenta_Crossing_Structural_Similarity": -0.349681, "Placenta_Crossing_Weighted_Contribution": -0.465485, "Placenta_Crossing_Top_Rank": -0.0881325, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])Cl", "InChI_key": "LPQZIJMSKXXKMU-UHFFFAOYSA-N" } }, "CID:82755": { "type": "Drug", "properties": { "id": "CID:82755", "label": "hydroxytyrosol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/82755", "FDA_Category_D_L1000_Similarity": -0.816791, "FDA_Category_D_Structural_Similarity": -0.652716, "FDA_Category_D_Weighted_Contribution": -0.975892, "FDA_Category_D_Top_Rank": -0.0954822, "FDA_Category_X_L1000_Similarity": -0.865001, "FDA_Category_X_Structural_Similarity": -0.483793, "FDA_Category_X_Weighted_Contribution": -0.874071, "FDA_Category_X_Top_Rank": -0.0895698, "FDA_Category_D_and_X_L1000_Similarity": -0.966764, "FDA_Category_D_and_X_Structural_Similarity": -0.779122, "FDA_Category_D_and_X_Weighted_Contribution": -1.08031, "FDA_Category_D_and_X_Top_Rank": -0.0958496, "Placenta_Crossing_L1000_Similarity": -0.991845, "Placenta_Crossing_Structural_Similarity": 0.971272, "Placenta_Crossing_Weighted_Contribution": 0.311066, "Placenta_Crossing_Top_Rank": -0.0515663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1CCO)O)O", "InChI_key": "JUUBCHWRXWPFFH-UHFFFAOYSA-N" } }, "CID:8362": { "type": "Drug", "properties": { "id": "CID:8362", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8362", "label": "homosalate", "FDA_Category_D_L1000_Similarity": 0.511541, "FDA_Category_D_Structural_Similarity": -0.289272, "FDA_Category_D_Weighted_Contribution": -0.103997, "FDA_Category_D_Top_Rank": -0.0850283, "FDA_Category_X_L1000_Similarity": -0.850319, "FDA_Category_X_Structural_Similarity": -0.674266, "FDA_Category_X_Weighted_Contribution": -0.995272, "FDA_Category_X_Top_Rank": -0.0909849, "FDA_Category_D_and_X_L1000_Similarity": 0.18273, "FDA_Category_D_and_X_Structural_Similarity": -0.59343, "FDA_Category_D_and_X_Weighted_Contribution": -0.540102, "FDA_Category_D_and_X_Top_Rank": -0.0904347, "Placenta_Crossing_L1000_Similarity": 0.545733, "Placenta_Crossing_Structural_Similarity": -0.833605, "Placenta_Crossing_Weighted_Contribution": -0.594698, "Placenta_Crossing_Top_Rank": -0.0821722, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O", "InChI_key": "WSSJONWNBBTCMG-UHFFFAOYSA-N" } }, "CID:8421": { "type": "Drug", "properties": { "id": "CID:8421", "label": "homoveratrylamine", "lsm": "LSM-5691", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8421", "FDA_Category_D_L1000_Similarity": 0.543977, "FDA_Category_D_Structural_Similarity": -0.656129, "FDA_Category_D_Weighted_Contribution": -0.407494, "FDA_Category_D_Top_Rank": -0.0841548, "FDA_Category_X_L1000_Similarity": -0.0454698, "FDA_Category_X_Structural_Similarity": -0.268895, "FDA_Category_X_Weighted_Contribution": -0.38733, "FDA_Category_X_Top_Rank": -0.0859159, "FDA_Category_D_and_X_L1000_Similarity": 0.455113, "FDA_Category_D_and_X_Structural_Similarity": -0.665873, "FDA_Category_D_and_X_Weighted_Contribution": -0.477967, "FDA_Category_D_and_X_Top_Rank": -0.086534, "Placenta_Crossing_L1000_Similarity": 0.147322, "Placenta_Crossing_Structural_Similarity": -0.337625, "Placenta_Crossing_Weighted_Contribution": -0.362057, "Placenta_Crossing_Top_Rank": -0.0871153, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CCN)OC", "InChI_key": "ANOUKFYBOAKOIR-UHFFFAOYSA-N" } }, "CID:8567": { "type": "Drug", "properties": { "id": "CID:8567", "label": "meglumine", "lsm": "LSM-5424", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8567", "FDA_Category_D_L1000_Similarity": -0.47318, "FDA_Category_D_Structural_Similarity": -0.31662, "FDA_Category_D_Weighted_Contribution": -0.610129, "FDA_Category_D_Top_Rank": -0.0916515, "FDA_Category_X_L1000_Similarity": 1.15842, "FDA_Category_X_Structural_Similarity": -0.69369, "FDA_Category_X_Weighted_Contribution": -0.228575, "FDA_Category_X_Top_Rank": -0.0660649, "FDA_Category_D_and_X_L1000_Similarity": -0.0561003, "FDA_Category_D_and_X_Structural_Similarity": -0.625618, "FDA_Category_D_and_X_Weighted_Contribution": -0.663121, "FDA_Category_D_and_X_Top_Rank": -0.0926731, "Placenta_Crossing_L1000_Similarity": 0.149182, "Placenta_Crossing_Structural_Similarity": -0.188546, "Placenta_Crossing_Weighted_Contribution": -0.234383, "Placenta_Crossing_Top_Rank": -0.085786, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:86101": { "type": "Drug", "properties": { "id": "CID:86101", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID86101", "label": "Epidepride", "FDA_Category_D_L1000_Similarity": 0.380745, "FDA_Category_D_Structural_Similarity": 2.95994, "FDA_Category_D_Weighted_Contribution": 3.05647, "FDA_Category_D_Top_Rank": 0.210659, "FDA_Category_X_L1000_Similarity": 0.867532, "FDA_Category_X_Structural_Similarity": 0.447915, "FDA_Category_X_Weighted_Contribution": 0.799064, "FDA_Category_X_Top_Rank": -0.0640913, "FDA_Category_D_and_X_L1000_Similarity": 0.59166, "FDA_Category_D_and_X_Structural_Similarity": 2.59104, "FDA_Category_D_and_X_Weighted_Contribution": 2.76756, "FDA_Category_D_and_X_Top_Rank": 0.118649, "Placenta_Crossing_L1000_Similarity": 0.532603, "Placenta_Crossing_Structural_Similarity": 4.10959, "Placenta_Crossing_Weighted_Contribution": 3.70705, "Placenta_Crossing_Top_Rank": 0.538706, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:896": { "type": "Drug", "properties": { "id": "CID:896", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID896", "label": "melatonin", "FDA_Category_D_L1000_Similarity": 1.23132, "FDA_Category_D_Structural_Similarity": -0.35663, "FDA_Category_D_Weighted_Contribution": 0.235272, "FDA_Category_D_Top_Rank": -0.0454194, "FDA_Category_X_L1000_Similarity": 2.69753, "FDA_Category_X_Structural_Similarity": 0.482651, "FDA_Category_X_Weighted_Contribution": 1.87493, "FDA_Category_X_Top_Rank": 0.291908, "FDA_Category_D_and_X_L1000_Similarity": 1.8806, "FDA_Category_D_and_X_Structural_Similarity": -0.0226252, "FDA_Category_D_and_X_Weighted_Contribution": 0.890211, "FDA_Category_D_and_X_Top_Rank": 0.0534102, "Placenta_Crossing_L1000_Similarity": 2.3068, "Placenta_Crossing_Structural_Similarity": -0.711577, "Placenta_Crossing_Weighted_Contribution": 0.301652, "Placenta_Crossing_Top_Rank": 0.15952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC", "InChI_key": "DRLFMBDRBRZALE-UHFFFAOYSA-N" } }, "CID:91522200": { "type": "Drug", "properties": { "id": "CID:91522200", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID91522200", "label": "benidipine", "FDA_Category_D_L1000_Similarity": -1.33541, "FDA_Category_D_Structural_Similarity": -0.126464, "FDA_Category_D_Weighted_Contribution": -0.834098, "FDA_Category_D_Top_Rank": -0.0881463, "FDA_Category_X_L1000_Similarity": -0.900664, "FDA_Category_X_Structural_Similarity": 0.124923, "FDA_Category_X_Weighted_Contribution": -0.416818, "FDA_Category_X_Top_Rank": -0.0762931, "FDA_Category_D_and_X_L1000_Similarity": -1.42466, "FDA_Category_D_and_X_Structural_Similarity": -0.0329677, "FDA_Category_D_and_X_Weighted_Contribution": -0.784266, "FDA_Category_D_and_X_Top_Rank": -0.0870134, "Placenta_Crossing_L1000_Similarity": -0.911267, "Placenta_Crossing_Structural_Similarity": 2.86063, "Placenta_Crossing_Weighted_Contribution": 2.32692, "Placenta_Crossing_Top_Rank": 0.165809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCN(C3)CC4=CC=CC=C4)C", "InChI_key": "VATGWEZOSFWWCV-SKWHODKYSA-N" } }, "CID:91610": { "type": "Drug", "properties": { "id": "CID:91610", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID91610", "label": "gliquidone", "FDA_Category_D_L1000_Similarity": 0.683124, "FDA_Category_D_Structural_Similarity": -0.483506, "FDA_Category_D_Weighted_Contribution": -0.188879, "FDA_Category_D_Top_Rank": -0.080208, "FDA_Category_X_L1000_Similarity": 1.82026, "FDA_Category_X_Structural_Similarity": -0.637455, "FDA_Category_X_Weighted_Contribution": 0.146388, "FDA_Category_X_Top_Rank": -0.016347, "FDA_Category_D_and_X_L1000_Similarity": 1.14165, "FDA_Category_D_and_X_Structural_Similarity": -0.727734, "FDA_Category_D_and_X_Weighted_Contribution": -0.210564, "FDA_Category_D_and_X_Top_Rank": -0.0598389, "Placenta_Crossing_L1000_Similarity": 1.89947, "Placenta_Crossing_Structural_Similarity": -0.666209, "Placenta_Crossing_Weighted_Contribution": 0.143134, "Placenta_Crossing_Top_Rank": 0.02068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C", "InChI_key": "LLJFMFZYVVLQKT-UHFFFAOYSA-N" } }, "CID:91654625": { "type": "Drug", "properties": { "id": "CID:91654625", "label": "BAZ2-ICR", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91654625", "FDA_Category_D_L1000_Similarity": 1.03827, "FDA_Category_X_L1000_Similarity": 0.286286, "FDA_Category_D_and_X_L1000_Similarity": 0.981948, "Placenta_Crossing_L1000_Similarity": 0.693115, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:91896203": { "type": "Drug", "properties": { "id": "CID:91896203", "label": "st-4070169", "lsm": "LSM-4583", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91896203", "FDA_Category_D_L1000_Similarity": -0.31236, "FDA_Category_D_Structural_Similarity": 3.38008, "FDA_Category_D_Weighted_Contribution": 3.06724, "FDA_Category_D_Top_Rank": 0.322229, "FDA_Category_X_L1000_Similarity": 1.10195, "FDA_Category_X_Structural_Similarity": -0.111874, "FDA_Category_X_Weighted_Contribution": 0.317941, "FDA_Category_X_Top_Rank": -0.0679878, "FDA_Category_D_and_X_L1000_Similarity": 0.0653853, "FDA_Category_D_and_X_Structural_Similarity": 2.62245, "FDA_Category_D_and_X_Weighted_Contribution": 2.54376, "FDA_Category_D_and_X_Top_Rank": 0.123907, "Placenta_Crossing_L1000_Similarity": 0.535247, "Placenta_Crossing_Structural_Similarity": 3.11395, "Placenta_Crossing_Weighted_Contribution": 3.14547, "Placenta_Crossing_Top_Rank": 0.225912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)C(C(=O)C1)C(C#CC2=CC=CC=C2)C3C(=O)CCCC3=O", "InChI_key": "FOSKRCKJJPKJBP-UHFFFAOYSA-N" } }, "CID:9223": { "type": "Drug", "properties": { "id": "CID:9223", "label": "benzofuran", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9223", "FDA_Category_D_L1000_Similarity": 1.08075, "FDA_Category_D_Structural_Similarity": -0.406048, "FDA_Category_D_Weighted_Contribution": 0.100143, "FDA_Category_D_Top_Rank": -0.0600854, "FDA_Category_X_L1000_Similarity": 2.10301, "FDA_Category_X_Structural_Similarity": -0.0637848, "FDA_Category_X_Weighted_Contribution": 0.918739, "FDA_Category_X_Top_Rank": 0.0295491, "FDA_Category_D_and_X_L1000_Similarity": 1.57027, "FDA_Category_D_and_X_Structural_Similarity": -0.356703, "FDA_Category_D_and_X_Weighted_Contribution": 0.363785, "FDA_Category_D_and_X_Top_Rank": -0.0127627, "Placenta_Crossing_L1000_Similarity": 1.83558, "Placenta_Crossing_Structural_Similarity": -0.612158, "Placenta_Crossing_Weighted_Contribution": 0.164101, "Placenta_Crossing_Top_Rank": 0.00640846, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=CO2", "InChI_key": "IANQTJSKSUMEQM-UHFFFAOYSA-N" } }, "CID:941361": { "type": "Drug", "properties": { "id": "CID:941361", "label": "flunarizine", "lsm": "LSM-2250", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/941361", "IDG_ID": "1200", "FDA_Category_D_L1000_Similarity": -0.979131, "FDA_Category_D_Structural_Similarity": -0.444906, "FDA_Category_D_Weighted_Contribution": -0.905755, "FDA_Category_D_Top_Rank": -0.0934789, "FDA_Category_X_L1000_Similarity": -1.63839, "FDA_Category_X_Structural_Similarity": -0.605955, "FDA_Category_X_Weighted_Contribution": -1.18795, "FDA_Category_X_Top_Rank": -0.0911326, "FDA_Category_D_and_X_L1000_Similarity": -1.34158, "FDA_Category_D_and_X_Structural_Similarity": -0.680098, "FDA_Category_D_and_X_Weighted_Contribution": -1.13885, "FDA_Category_D_and_X_Top_Rank": -0.0953172, "Placenta_Crossing_L1000_Similarity": -0.878093, "Placenta_Crossing_Structural_Similarity": -0.545873, "Placenta_Crossing_Weighted_Contribution": -0.895235, "Placenta_Crossing_Top_Rank": -0.0901031, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F", "InChI_key": "SMANXXCATUTDDT-QPJJXVBHSA-N" } }, "CID:9549297": { "type": "Drug", "properties": { "id": "CID:9549297", "label": "su-11274", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9549297", "FDA_Category_D_L1000_Similarity": 0.633908, "FDA_Category_D_Structural_Similarity": 2.80115, "FDA_Category_D_Weighted_Contribution": 3.04847, "FDA_Category_D_Top_Rank": 0.185429, "FDA_Category_X_L1000_Similarity": 1.39163, "FDA_Category_X_Structural_Similarity": 0.401336, "FDA_Category_X_Weighted_Contribution": 1.04229, "FDA_Category_X_Top_Rank": -0.0539386, "FDA_Category_D_and_X_L1000_Similarity": 0.96906, "FDA_Category_D_and_X_Structural_Similarity": 2.43987, "FDA_Category_D_and_X_Weighted_Contribution": 2.81628, "FDA_Category_D_and_X_Top_Rank": 0.0970208, "Placenta_Crossing_L1000_Similarity": -0.741962, "Placenta_Crossing_Structural_Similarity": 0.622653, "Placenta_Crossing_Weighted_Contribution": 0.0939588, "Placenta_Crossing_Top_Rank": -0.0658049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O", "InChI_key": "FPYJSJDOHRDAMT-KQWNVCNZSA-N" } }, "CID:9600409": { "type": "Drug", "properties": { "id": "CID:9600409", "label": "citco", "lsm": "LSM-3177", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9600409", "FDA_Category_D_L1000_Similarity": 0.315305, "FDA_Category_D_Structural_Similarity": 0.0154118, "FDA_Category_D_Weighted_Contribution": 0.0743176, "FDA_Category_D_Top_Rank": -0.0847678, "FDA_Category_X_L1000_Similarity": -0.462944, "FDA_Category_X_Structural_Similarity": -0.514733, "FDA_Category_X_Weighted_Contribution": -0.752736, "FDA_Category_X_Top_Rank": -0.0899137, "FDA_Category_D_and_X_L1000_Similarity": 0.131217, "FDA_Category_D_and_X_Structural_Similarity": -0.265515, "FDA_Category_D_and_X_Weighted_Contribution": -0.299799, "FDA_Category_D_and_X_Top_Rank": -0.0910082, "Placenta_Crossing_L1000_Similarity": 0.210053, "Placenta_Crossing_Structural_Similarity": 0.141211, "Placenta_Crossing_Weighted_Contribution": 0.0954135, "Placenta_Crossing_Top_Rank": -0.0790769, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NOCC4=CC(=C(C=C4)Cl)Cl)Cl", "InChI_key": "ZQWBOKJVVYNKTL-AUEPDCJTSA-N" } }, "CID:9604993": { "type": "Drug", "properties": { "id": "CID:9604993", "label": "dmeob", "lsm": "LSM-2687", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9604993", "FDA_Category_D_L1000_Similarity": 0.268214, "FDA_Category_D_Structural_Similarity": -0.694641, "FDA_Category_D_Weighted_Contribution": -0.567279, "FDA_Category_D_Top_Rank": -0.0892946, "FDA_Category_X_L1000_Similarity": 1.30259, "FDA_Category_X_Structural_Similarity": -0.701256, "FDA_Category_X_Weighted_Contribution": -0.16873, "FDA_Category_X_Top_Rank": -0.059114, "FDA_Category_D_and_X_L1000_Similarity": 0.626792, "FDA_Category_D_and_X_Structural_Similarity": -0.929741, "FDA_Category_D_and_X_Weighted_Contribution": -0.605774, "FDA_Category_D_and_X_Top_Rank": -0.082875, "Placenta_Crossing_L1000_Similarity": 0.519076, "Placenta_Crossing_Structural_Similarity": -1.06227, "Placenta_Crossing_Weighted_Contribution": -0.7686, "Placenta_Crossing_Top_Rank": -0.0825945, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)C=NC=NC2=CC(=CC=C2)OC", "InChI_key": "CWHVUMNEZIBZFC-UHFFFAOYSA-N" } }, "CID:9681": { "type": "Drug", "properties": { "id": "CID:9681", "label": "methysergide", "lsm": "LSM-2786", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9681", "IDG_ID": "1775", "FDA_Category_D_L1000_Similarity": 0.804894, "FDA_Category_D_Structural_Similarity": -0.924146, "FDA_Category_D_Weighted_Contribution": -0.500903, "FDA_Category_D_Top_Rank": -0.0755903, "FDA_Category_X_L1000_Similarity": 1.37586, "FDA_Category_X_Structural_Similarity": -0.500529, "FDA_Category_X_Weighted_Contribution": 0.0605129, "FDA_Category_X_Top_Rank": -0.054573, "FDA_Category_D_and_X_L1000_Similarity": 1.11166, "FDA_Category_D_and_X_Structural_Similarity": -1.00359, "FDA_Category_D_and_X_Weighted_Contribution": -0.454036, "FDA_Category_D_and_X_Top_Rank": -0.0617646, "Placenta_Crossing_L1000_Similarity": 1.90707, "Placenta_Crossing_Structural_Similarity": -0.311706, "Placenta_Crossing_Weighted_Contribution": 0.501772, "Placenta_Crossing_Top_Rank": 0.0222702, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C", "InChI_key": "KPJZHOPZRAFDTN-ZRGWGRIASA-N" } }, "CID:96946": { "type": "Drug", "properties": { "id": "CID:96946", "label": "lobelanidine", "lsm": "LSM-1665", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/96946", "FDA_Category_D_L1000_Similarity": 0.841485, "FDA_Category_D_Structural_Similarity": -0.791815, "FDA_Category_D_Weighted_Contribution": -0.375451, "FDA_Category_D_Top_Rank": -0.0741151, "FDA_Category_X_L1000_Similarity": 0.602374, "FDA_Category_X_Structural_Similarity": -0.496423, "FDA_Category_X_Weighted_Contribution": -0.30203, "FDA_Category_X_Top_Rank": -0.0809518, "FDA_Category_D_and_X_L1000_Similarity": 0.908293, "FDA_Category_D_and_X_Structural_Similarity": -0.896342, "FDA_Category_D_and_X_Weighted_Contribution": -0.459387, "FDA_Category_D_and_X_Top_Rank": -0.0736731, "Placenta_Crossing_L1000_Similarity": 0.956703, "Placenta_Crossing_Structural_Similarity": -0.98123, "Placenta_Crossing_Weighted_Contribution": -0.54845, "Placenta_Crossing_Top_Rank": -0.0719511, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(CCCC1CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O", "InChI_key": "OWGJQNXIWMMDTH-UHFFFAOYSA-N" } }, "CID:9727": { "type": "Drug", "properties": { "id": "CID:9727", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9727", "label": "Methyltyramine", "FDA_Category_D_L1000_Similarity": 0.0210679, "FDA_Category_D_Structural_Similarity": -0.75059, "FDA_Category_D_Weighted_Contribution": -0.716423, "FDA_Category_D_Top_Rank": -0.0920137, "FDA_Category_X_L1000_Similarity": -0.283287, "FDA_Category_X_Structural_Similarity": 0.354611, "FDA_Category_X_Weighted_Contribution": 0.0853538, "FDA_Category_X_Top_Rank": -0.0674992, "FDA_Category_D_and_X_L1000_Similarity": -0.0678743, "FDA_Category_D_and_X_Structural_Similarity": -0.404406, "FDA_Category_D_and_X_Weighted_Contribution": -0.502723, "FDA_Category_D_and_X_Top_Rank": -0.0927512, "Placenta_Crossing_L1000_Similarity": -0.0347464, "Placenta_Crossing_Structural_Similarity": -0.188486, "Placenta_Crossing_Weighted_Contribution": -0.314432, "Placenta_Crossing_Top_Rank": -0.0857831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9808844": { "type": "Drug", "properties": { "id": "CID:9808844", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9808844", "label": "telatinib", "FDA_Category_D_L1000_Similarity": 0.989699, "FDA_Category_D_Structural_Similarity": -0.446669, "FDA_Category_D_Weighted_Contribution": 0.0102439, "FDA_Category_D_Top_Rank": -0.0658435, "FDA_Category_X_L1000_Similarity": -0.588247, "FDA_Category_X_Structural_Similarity": -0.238176, "FDA_Category_X_Weighted_Contribution": -0.588363, "FDA_Category_X_Top_Rank": -0.0853055, "FDA_Category_D_and_X_L1000_Similarity": 0.674504, "FDA_Category_D_and_X_Structural_Similarity": -0.483046, "FDA_Category_D_and_X_Weighted_Contribution": -0.225464, "FDA_Category_D_and_X_Top_Rank": -0.081832, "Placenta_Crossing_L1000_Similarity": 0.969139, "Placenta_Crossing_Structural_Similarity": -0.495166, "Placenta_Crossing_Weighted_Contribution": -0.137689, "Placenta_Crossing_Top_Rank": -0.0714803, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl", "InChI_key": "QFCXANHHBCGMAS-UHFFFAOYSA-N" } }, "CID:9809715": { "type": "Drug", "properties": { "id": "CID:9809715", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9809715", "label": "nintedanib", "FDA_Category_D_L1000_Similarity": 0.422439, "FDA_Category_D_Structural_Similarity": 0.218268, "FDA_Category_D_Weighted_Contribution": 0.337112, "FDA_Category_D_Top_Rank": -0.0793734, "FDA_Category_X_L1000_Similarity": 1.22891, "FDA_Category_X_Structural_Similarity": -0.406949, "FDA_Category_X_Weighted_Contribution": 0.0805019, "FDA_Category_X_Top_Rank": -0.0629083, "FDA_Category_D_and_X_L1000_Similarity": 0.737349, "FDA_Category_D_and_X_Structural_Similarity": -0.0463457, "FDA_Category_D_and_X_Weighted_Contribution": 0.209235, "FDA_Category_D_and_X_Top_Rank": -0.0799835, "Placenta_Crossing_L1000_Similarity": 0.796556, "Placenta_Crossing_Structural_Similarity": -0.0543749, "Placenta_Crossing_Weighted_Contribution": 0.193992, "Placenta_Crossing_Top_Rank": -0.076457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5", "InChI_key": "XZXHXSATPCNXJR-ZIADKAODSA-N" } }, "CID:9821459": { "type": "Drug", "properties": { "id": "CID:9821459", "label": "j-104129", "lsm": "LSM-2580", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9821459", "FDA_Category_D_L1000_Similarity": 0.746026, "FDA_Category_D_Structural_Similarity": 2.14203, "FDA_Category_D_Weighted_Contribution": 2.54954, "FDA_Category_D_Top_Rank": 0.0735565, "FDA_Category_X_L1000_Similarity": 1.03571, "FDA_Category_X_Structural_Similarity": 0.141882, "FDA_Category_X_Weighted_Contribution": 0.554029, "FDA_Category_X_Top_Rank": -0.0703264, "FDA_Category_D_and_X_L1000_Similarity": 0.957618, "FDA_Category_D_and_X_Structural_Similarity": 1.77671, "FDA_Category_D_and_X_Weighted_Contribution": 2.22485, "FDA_Category_D_and_X_Top_Rank": 0.0138986, "Placenta_Crossing_L1000_Similarity": 0.294468, "Placenta_Crossing_Structural_Similarity": -0.512088, "Placenta_Crossing_Weighted_Contribution": -0.443705, "Placenta_Crossing_Top_Rank": -0.085713, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCN1CCC(CC1)NC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C", "InChI_key": "YECZUVJTDYORCB-DEOSSOPVSA-N" } }, "CID:9826308": { "type": "Drug", "properties": { "id": "CID:9826308", "label": "gw-843682x", "lsm": "LSM-1014", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9826308", "FDA_Category_D_L1000_Similarity": 0.797946, "FDA_Category_D_Structural_Similarity": -0.166545, "FDA_Category_D_Weighted_Contribution": 0.172224, "FDA_Category_D_Top_Rank": -0.0760194, "FDA_Category_X_L1000_Similarity": -0.694684, "FDA_Category_X_Structural_Similarity": -0.671688, "FDA_Category_X_Weighted_Contribution": -0.943197, "FDA_Category_X_Top_Rank": -0.090631, "FDA_Category_D_and_X_L1000_Similarity": 0.476883, "FDA_Category_D_and_X_Structural_Similarity": -0.494629, "FDA_Category_D_and_X_Weighted_Contribution": -0.329436, "FDA_Category_D_and_X_Top_Rank": -0.0861304, "Placenta_Crossing_L1000_Similarity": 0.799856, "Placenta_Crossing_Structural_Similarity": -0.843076, "Placenta_Crossing_Weighted_Contribution": -0.502972, "Placenta_Crossing_Top_Rank": -0.0763772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC", "InChI_key": "JSKUWFIZUALZLX-UHFFFAOYSA-N" } }, "CID:9827968": { "type": "Drug", "properties": { "id": "CID:9827968", "label": "gsk-256066", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9827968", "FDA_Category_D_L1000_Similarity": -0.666715, "FDA_Category_D_Structural_Similarity": -0.434023, "FDA_Category_D_Weighted_Contribution": -0.777021, "FDA_Category_D_Top_Rank": -0.093354, "FDA_Category_X_L1000_Similarity": -0.428206, "FDA_Category_X_Structural_Similarity": -0.395679, "FDA_Category_X_Weighted_Contribution": -0.649409, "FDA_Category_X_Top_Rank": -0.0881509, "FDA_Category_D_and_X_L1000_Similarity": -0.704765, "FDA_Category_D_and_X_Structural_Similarity": -0.557997, "FDA_Category_D_and_X_Weighted_Contribution": -0.863691, "FDA_Category_D_and_X_Top_Rank": -0.0944731, "Placenta_Crossing_L1000_Similarity": -0.0389707, "Placenta_Crossing_Structural_Similarity": -0.370282, "Placenta_Crossing_Weighted_Contribution": -0.465609, "Placenta_Crossing_Top_Rank": -0.0883706, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C", "InChI_key": "JFHROPTYMMSOLG-UHFFFAOYSA-N" } }, "CID:984170": { "type": "Drug", "properties": { "id": "CID:984170", "label": "4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/984170", "FDA_Category_D_L1000_Similarity": -1.35993, "FDA_Category_D_Structural_Similarity": -0.39196, "FDA_Category_D_Weighted_Contribution": -1.01022, "FDA_Category_D_Top_Rank": -0.092811, "FDA_Category_X_L1000_Similarity": -2.52733, "FDA_Category_X_Structural_Similarity": -0.637952, "FDA_Category_X_Weighted_Contribution": -1.42031, "FDA_Category_X_Top_Rank": -0.0914478, "FDA_Category_D_and_X_L1000_Similarity": -1.93978, "FDA_Category_D_and_X_Structural_Similarity": -0.65534, "FDA_Category_D_and_X_Weighted_Contribution": -1.28671, "FDA_Category_D_and_X_Top_Rank": -0.0951754, "Placenta_Crossing_L1000_Similarity": -1.29767, "Placenta_Crossing_Structural_Similarity": -0.73725, "Placenta_Crossing_Weighted_Contribution": -1.12906, "Placenta_Crossing_Top_Rank": -0.0914379, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C", "InChI_key": "OWPMENVYXDJDOW-UHFFFAOYSA-N" } }, "CID:9841834": { "type": "Drug", "properties": { "id": "CID:9841834", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9841834", "label": "istaroxime", "FDA_Category_D_L1000_Similarity": 0.751614, "FDA_Category_D_Structural_Similarity": 0.807491, "FDA_Category_D_Weighted_Contribution": 1.17092, "FDA_Category_D_Top_Rank": -0.0602461, "FDA_Category_X_L1000_Similarity": 1.44742, "FDA_Category_X_Structural_Similarity": 0.798754, "FDA_Category_X_Weighted_Contribution": 1.52701, "FDA_Category_X_Top_Rank": -0.0500038, "FDA_Category_D_and_X_L1000_Similarity": 1.08746, "FDA_Category_D_and_X_Structural_Similarity": 1.07192, "FDA_Category_D_and_X_Weighted_Contribution": 1.58371, "FDA_Category_D_and_X_Top_Rank": -0.0484629, "Placenta_Crossing_L1000_Similarity": 0.0846622, "Placenta_Crossing_Structural_Similarity": -0.576532, "Placenta_Crossing_Weighted_Contribution": -0.577213, "Placenta_Crossing_Top_Rank": -0.0876691, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C", "InChI_key": "MPYLDWFDPHRTEG-PAAYLBSLSA-N" } }, "CID:9841972": { "type": "Drug", "properties": { "id": "CID:9841972", "label": "brl-37344", "lsm": "LSM-2146", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9841972", "FDA_Category_D_L1000_Similarity": 0.602463, "FDA_Category_D_Structural_Similarity": -0.667401, "FDA_Category_D_Weighted_Contribution": -0.388435, "FDA_Category_D_Top_Rank": -0.082557, "FDA_Category_X_L1000_Similarity": 0.675335, "FDA_Category_X_Structural_Similarity": 0.55202, "FDA_Category_X_Weighted_Contribution": 0.807932, "FDA_Category_X_Top_Rank": -0.059636, "FDA_Category_D_and_X_L1000_Similarity": 0.724421, "FDA_Category_D_and_X_Structural_Similarity": -0.231858, "FDA_Category_D_and_X_Weighted_Contribution": 0.0255973, "FDA_Category_D_and_X_Top_Rank": -0.0805084, "Placenta_Crossing_L1000_Similarity": 1.24103, "Placenta_Crossing_Structural_Similarity": 1.29757, "Placenta_Crossing_Weighted_Contribution": 1.8565, "Placenta_Crossing_Top_Rank": -0.0329302, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CC(=CC=C2)Cl)O", "InChI_key": "ZGGNJJJYUVRADP-ACJLOTCBSA-N" } }, "CID:9849616": { "type": "Drug", "properties": { "id": "CID:9849616", "label": "surinabant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9849616", "FDA_Category_D_L1000_Similarity": 0.630279, "FDA_Category_D_Structural_Similarity": -0.0728624, "FDA_Category_D_Weighted_Contribution": 0.167801, "FDA_Category_D_Top_Rank": -0.0817527, "FDA_Category_X_L1000_Similarity": -0.188178, "FDA_Category_X_Structural_Similarity": -0.469869, "FDA_Category_X_Weighted_Contribution": -0.613409, "FDA_Category_X_Top_Rank": -0.0887292, "FDA_Category_D_and_X_L1000_Similarity": 0.486168, "FDA_Category_D_and_X_Structural_Similarity": -0.311371, "FDA_Category_D_and_X_Weighted_Contribution": -0.167721, "FDA_Category_D_and_X_Top_Rank": -0.0859032, "Placenta_Crossing_L1000_Similarity": 0.496261, "Placenta_Crossing_Structural_Similarity": -0.861418, "Placenta_Crossing_Weighted_Contribution": -0.634073, "Placenta_Crossing_Top_Rank": -0.0830387, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br", "InChI_key": "HMXDWDSNPRNUKI-UHFFFAOYSA-N" } }, "CID:9862248": { "type": "Drug", "properties": { "id": "CID:9862248", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9862248", "label": "sobetirome", "FDA_Category_D_L1000_Similarity": 0.447116, "FDA_Category_D_Structural_Similarity": -0.787251, "FDA_Category_D_Weighted_Contribution": -0.557886, "FDA_Category_D_Top_Rank": -0.0863115, "FDA_Category_X_L1000_Similarity": -0.0960377, "FDA_Category_X_Structural_Similarity": -0.616703, "FDA_Category_X_Weighted_Contribution": -0.691567, "FDA_Category_X_Top_Rank": -0.0882057, "FDA_Category_D_and_X_L1000_Similarity": 0.356251, "FDA_Category_D_and_X_Structural_Similarity": -0.957622, "FDA_Category_D_and_X_Weighted_Contribution": -0.734146, "FDA_Category_D_and_X_Top_Rank": -0.0881485, "Placenta_Crossing_L1000_Similarity": 0.512003, "Placenta_Crossing_Structural_Similarity": -0.635195, "Placenta_Crossing_Weighted_Contribution": -0.453941, "Placenta_Crossing_Top_Rank": -0.0827529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O", "InChI_key": "QNAZTOHXCZPOSA-UHFFFAOYSA-N" } }, "CID:9863367": { "type": "Drug", "properties": { "id": "CID:9863367", "label": "SB-242235", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9863367", "FDA_Category_D_L1000_Similarity": -0.65777, "FDA_Category_D_Structural_Similarity": -0.789727, "FDA_Category_D_Weighted_Contribution": -1.00227, "FDA_Category_D_Top_Rank": -0.0956184, "FDA_Category_X_L1000_Similarity": 1.21945, "FDA_Category_X_Structural_Similarity": -0.692584, "FDA_Category_X_Weighted_Contribution": -0.19939, "FDA_Category_X_Top_Rank": -0.0632673, "FDA_Category_D_and_X_L1000_Similarity": -0.196693, "FDA_Category_D_and_X_Structural_Similarity": -1.00053, "FDA_Category_D_and_X_Weighted_Contribution": -0.960892, "FDA_Category_D_and_X_Top_Rank": -0.0936194, "Placenta_Crossing_L1000_Similarity": 0.745978, "Placenta_Crossing_Structural_Similarity": -0.823858, "Placenta_Crossing_Weighted_Contribution": -0.509328, "Placenta_Crossing_Top_Rank": -0.0777453, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9867642": { "type": "Drug", "properties": { "id": "CID:9867642", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9867642", "label": "laropiprant", "FDA_Category_D_L1000_Similarity": 1.71052, "FDA_Category_D_Structural_Similarity": 0.627554, "FDA_Category_D_Weighted_Contribution": 1.58728, "FDA_Category_D_Top_Rank": 0.0456343, "FDA_Category_X_L1000_Similarity": 0.658488, "FDA_Category_X_Structural_Similarity": 1.40656, "FDA_Category_X_Weighted_Contribution": 1.76747, "FDA_Category_X_Top_Rank": -0.0142025, "FDA_Category_D_and_X_L1000_Similarity": 1.67447, "FDA_Category_D_and_X_Structural_Similarity": 1.25707, "FDA_Category_D_and_X_Weighted_Contribution": 2.11027, "FDA_Category_D_and_X_Top_Rank": 0.00428093, "Placenta_Crossing_L1000_Similarity": 1.69692, "Placenta_Crossing_Structural_Similarity": 0.0244739, "Placenta_Crossing_Weighted_Contribution": 0.741981, "Placenta_Crossing_Top_Rank": -0.0156577, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)F", "InChI_key": "NXFFJDQHYLNEJK-CYBMUJFWSA-N" } }, "CID:9869929": { "type": "Drug", "properties": { "id": "CID:9869929", "label": "avanafil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9869929", "IDG_ID": "4305", "FDA_Category_D_L1000_Similarity": 0.934496, "FDA_Category_D_Structural_Similarity": 0.293253, "FDA_Category_D_Weighted_Contribution": 0.728894, "FDA_Category_D_Top_Rank": -0.0694323, "FDA_Category_X_L1000_Similarity": 1.24402, "FDA_Category_X_Structural_Similarity": -0.440487, "FDA_Category_X_Weighted_Contribution": 0.054614, "FDA_Category_X_Top_Rank": -0.06212, "FDA_Category_D_and_X_L1000_Similarity": 1.18333, "FDA_Category_D_and_X_Structural_Similarity": -0.00492652, "FDA_Category_D_and_X_Weighted_Contribution": 0.500301, "FDA_Category_D_and_X_Top_Rank": -0.0559788, "Placenta_Crossing_L1000_Similarity": 0.872744, "Placenta_Crossing_Structural_Similarity": 0.367994, "Placenta_Crossing_Weighted_Contribution": 0.663231, "Placenta_Crossing_Top_Rank": -0.073304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl", "InChI_key": "WEAJZXNPAWBCOA-INIZCTEOSA-N" } }, "CID:9871074": { "type": "Drug", "properties": { "id": "CID:9871074", "label": "talmapimod", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9871074", "FDA_Category_D_L1000_Similarity": -0.447665, "FDA_Category_D_Structural_Similarity": -0.723961, "FDA_Category_D_Weighted_Contribution": -0.885111, "FDA_Category_D_Top_Rank": -0.0949376, "FDA_Category_X_L1000_Similarity": -1.06722, "FDA_Category_X_Structural_Similarity": -0.10805, "FDA_Category_X_Weighted_Contribution": -0.674235, "FDA_Category_X_Top_Rank": -0.0825087, "FDA_Category_D_and_X_L1000_Similarity": -0.709984, "FDA_Category_D_and_X_Structural_Similarity": -0.632921, "FDA_Category_D_and_X_Weighted_Contribution": -0.912496, "FDA_Category_D_and_X_Top_Rank": -0.0950316, "Placenta_Crossing_L1000_Similarity": -0.270683, "Placenta_Crossing_Structural_Similarity": 0.27211, "Placenta_Crossing_Weighted_Contribution": -0.011201, "Placenta_Crossing_Top_Rank": -0.0757645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F", "InChI_key": "ZMELOYOKMZBMRB-DLBZAZTESA-N" } }, "CID:9874913": { "type": "Drug", "properties": { "id": "CID:9874913", "label": "cp-724714", "lsm": "LSM-1010", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9874913", "FDA_Category_D_L1000_Similarity": 0.728173, "FDA_Category_D_Structural_Similarity": 0.495627, "FDA_Category_D_Weighted_Contribution": 0.816508, "FDA_Category_D_Top_Rank": -0.0711407, "FDA_Category_X_L1000_Similarity": 2.48099, "FDA_Category_X_Structural_Similarity": -0.632863, "FDA_Category_X_Weighted_Contribution": 0.498138, "FDA_Category_X_Top_Rank": 0.145052, "FDA_Category_D_and_X_L1000_Similarity": 1.38113, "FDA_Category_D_and_X_Structural_Similarity": 0.0518951, "FDA_Category_D_and_X_Weighted_Contribution": 0.673664, "FDA_Category_D_and_X_Top_Rank": -0.0392449, "Placenta_Crossing_L1000_Similarity": 2.28909, "Placenta_Crossing_Structural_Similarity": -0.446953, "Placenta_Crossing_Weighted_Contribution": 0.562397, "Placenta_Crossing_Top_Rank": 0.152358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C=CCNC(=O)COC)C", "InChI_key": "LLVZBTWPGQVVLW-SNAWJCMRSA-N" } }, "CID:9880620": { "type": "Drug", "properties": { "id": "CID:9880620", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9880620", "label": "piroxicam", "FDA_Category_D_L1000_Similarity": 2.57946, "FDA_Category_D_Structural_Similarity": -0.913454, "FDA_Category_D_Weighted_Contribution": 0.472052, "FDA_Category_D_Top_Rank": 1.06878, "FDA_Category_X_L1000_Similarity": 1.61278, "FDA_Category_X_Structural_Similarity": -0.750984, "FDA_Category_X_Weighted_Contribution": -0.0686117, "FDA_Category_X_Top_Rank": -0.0385403, "FDA_Category_D_and_X_L1000_Similarity": 2.71331, "FDA_Category_D_and_X_Structural_Similarity": -1.13025, "FDA_Category_D_and_X_Weighted_Contribution": 0.232394, "FDA_Category_D_and_X_Top_Rank": 0.940926, "Placenta_Crossing_L1000_Similarity": 2.48629, "Placenta_Crossing_Structural_Similarity": 2.60367, "Placenta_Crossing_Weighted_Contribution": 3.44812, "Placenta_Crossing_Top_Rank": 0.272549, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN1C(C(=O)C2=CC=CC=C2S1(=O)=O)C(=O)NC3=CC=CC=N3", "InChI_key": "MNSCVRXKDINXEY-UHFFFAOYSA-N" } }, "CID:9902311": { "type": "Drug", "properties": { "id": "CID:9902311", "label": "tgx-115", "lsm": "LSM-6262", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9902311", "FDA_Category_D_L1000_Similarity": -1.04203, "FDA_Category_D_Structural_Similarity": 0.0861378, "FDA_Category_D_Weighted_Contribution": -0.556828, "FDA_Category_D_Top_Rank": -0.0829262, "FDA_Category_X_L1000_Similarity": -0.702636, "FDA_Category_X_Structural_Similarity": -0.189098, "FDA_Category_X_Weighted_Contribution": -0.594882, "FDA_Category_X_Top_Rank": -0.0843212, "FDA_Category_D_and_X_L1000_Similarity": -1.11162, "FDA_Category_D_and_X_Structural_Similarity": -0.0336677, "FDA_Category_D_and_X_Weighted_Contribution": -0.662935, "FDA_Category_D_and_X_Top_Rank": -0.0870268, "Placenta_Crossing_L1000_Similarity": -1.29531, "Placenta_Crossing_Structural_Similarity": -0.906319, "Placenta_Crossing_Weighted_Contribution": -1.21392, "Placenta_Crossing_Top_Rank": -0.0920986, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1OC2=CC=CC3=C2NC(=CC3=O)N4CCOCC4", "InChI_key": "FWYYZGLCNUZWPF-UHFFFAOYSA-N" } }, "CID:9907323": { "type": "Drug", "properties": { "id": "CID:9907323", "label": "cutamesine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9907323", "FDA_Category_D_L1000_Similarity": 1.2721, "FDA_Category_D_Structural_Similarity": 0.393877, "FDA_Category_D_Weighted_Contribution": 1.05191, "FDA_Category_D_Top_Rank": -0.041052, "FDA_Category_X_L1000_Similarity": 1.56065, "FDA_Category_X_Structural_Similarity": 0.337283, "FDA_Category_X_Weighted_Contribution": 1.06561, "FDA_Category_X_Top_Rank": -0.0428882, "FDA_Category_D_and_X_L1000_Similarity": 1.57051, "FDA_Category_D_and_X_Structural_Similarity": 0.494622, "FDA_Category_D_and_X_Weighted_Contribution": 1.25728, "FDA_Category_D_and_X_Top_Rank": -0.0126205, "Placenta_Crossing_L1000_Similarity": 1.03015, "Placenta_Crossing_Structural_Similarity": 0.309567, "Placenta_Crossing_Weighted_Contribution": 0.685789, "Placenta_Crossing_Top_Rank": -0.0694318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3)OC", "InChI_key": "UVSWWUWQVAQPJR-UHFFFAOYSA-N" } }, "CID:9909648": { "type": "Drug", "properties": { "id": "CID:9909648", "label": "pnu-96415e", "lsm": "LSM-1931", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9909648", "FDA_Category_D_L1000_Similarity": 0.153947, "FDA_Category_D_Structural_Similarity": 0.511638, "FDA_Category_D_Weighted_Contribution": 0.476981, "FDA_Category_D_Top_Rank": -0.0705416, "FDA_Category_X_L1000_Similarity": 1.94689, "FDA_Category_X_Structural_Similarity": -0.521249, "FDA_Category_X_Weighted_Contribution": 0.332068, "FDA_Category_X_Top_Rank": 0.00314301, "FDA_Category_D_and_X_L1000_Similarity": 0.723939, "FDA_Category_D_and_X_Structural_Similarity": 0.12483, "FDA_Category_D_and_X_Weighted_Contribution": 0.370908, "FDA_Category_D_and_X_Top_Rank": -0.0805525, "Placenta_Crossing_L1000_Similarity": 0.570885, "Placenta_Crossing_Structural_Similarity": 0.154176, "Placenta_Crossing_Weighted_Contribution": 0.286806, "Placenta_Crossing_Top_Rank": -0.0787992, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F", "InChI_key": "UKOCGOXTVCIACM-UHFFFAOYSA-N" } }, "CID:9918908": { "type": "Drug", "properties": { "id": "CID:9918908", "label": "pd-166793", "lsm": "LSM-1790", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9918908", "FDA_Category_D_L1000_Similarity": -0.221811, "FDA_Category_D_Structural_Similarity": 0.0219287, "FDA_Category_D_Weighted_Contribution": -0.210677, "FDA_Category_D_Top_Rank": -0.0846496, "FDA_Category_X_L1000_Similarity": -0.397335, "FDA_Category_X_Structural_Similarity": -0.0269876, "FDA_Category_X_Weighted_Contribution": -0.329515, "FDA_Category_X_Top_Rank": -0.0804291, "FDA_Category_D_and_X_L1000_Similarity": -0.311865, "FDA_Category_D_and_X_Structural_Similarity": 0.00284268, "FDA_Category_D_and_X_Weighted_Contribution": -0.282902, "FDA_Category_D_and_X_Top_Rank": -0.0862639, "Placenta_Crossing_L1000_Similarity": 1.25977, "Placenta_Crossing_Structural_Similarity": -0.0905126, "Placenta_Crossing_Weighted_Contribution": 0.392128, "Placenta_Crossing_Top_Rank": -0.0585115, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br", "InChI_key": "GJOCABIDMCKCEG-UHFFFAOYSA-N" } }, "CID:9930049": { "type": "Drug", "properties": { "id": "CID:9930049", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9930049", "label": "vernakalant", "FDA_Category_D_L1000_Similarity": 0.304131, "FDA_Category_D_Structural_Similarity": -0.837859, "FDA_Category_D_Weighted_Contribution": -0.659431, "FDA_Category_D_Top_Rank": -0.08879, "FDA_Category_X_L1000_Similarity": 1.73894, "FDA_Category_X_Structural_Similarity": -0.707467, "FDA_Category_X_Weighted_Contribution": 0.0354657, "FDA_Category_X_Top_Rank": -0.0265622, "FDA_Category_D_and_X_L1000_Similarity": 0.790253, "FDA_Category_D_and_X_Structural_Similarity": -1.04677, "FDA_Category_D_and_X_Weighted_Contribution": -0.624467, "FDA_Category_D_and_X_Top_Rank": -0.0780894, "Placenta_Crossing_L1000_Similarity": 0.70854, "Placenta_Crossing_Structural_Similarity": 1.25822, "Placenta_Crossing_Weighted_Contribution": 1.5297, "Placenta_Crossing_Top_Rank": -0.0361587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC", "InChI_key": "VBHQKCBVWWUUKN-KZNAEPCWSA-N" } }, "CID:9934": { "type": "Drug", "properties": { "id": "CID:9934", "label": "timonacic", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9934", "FDA_Category_D_L1000_Similarity": -0.746871, "FDA_Category_D_Structural_Similarity": -0.526633, "FDA_Category_D_Weighted_Contribution": -0.87075, "FDA_Category_D_Top_Rank": -0.0943966, "FDA_Category_X_L1000_Similarity": 0.876191, "FDA_Category_X_Structural_Similarity": -0.753848, "FDA_Category_X_Weighted_Contribution": -0.407887, "FDA_Category_X_Top_Rank": -0.0750471, "FDA_Category_D_and_X_L1000_Similarity": -0.377736, "FDA_Category_D_and_X_Structural_Similarity": -0.824769, "FDA_Category_D_and_X_Weighted_Contribution": -0.915945, "FDA_Category_D_and_X_Top_Rank": -0.094573, "Placenta_Crossing_L1000_Similarity": 0.493338, "Placenta_Crossing_Structural_Similarity": -0.790009, "Placenta_Crossing_Weighted_Contribution": -0.581871, "Placenta_Crossing_Top_Rank": -0.0830817, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(NCS1)C(=O)O", "InChI_key": "DZLNHFMRPBPULJ-UHFFFAOYSA-N" } }, "CID:9934347": { "type": "Drug", "properties": { "id": "CID:9934347", "label": "2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide", "lsm": "LSM-1208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9934347", "FDA_Category_D_L1000_Similarity": -1.35242, "FDA_Category_D_Structural_Similarity": -0.215268, "FDA_Category_D_Weighted_Contribution": -0.898698, "FDA_Category_D_Top_Rank": -0.0898144, "FDA_Category_X_L1000_Similarity": -0.605099, "FDA_Category_X_Structural_Similarity": 0.0823622, "FDA_Category_X_Weighted_Contribution": -0.324734, "FDA_Category_X_Top_Rank": -0.0776722, "FDA_Category_D_and_X_L1000_Similarity": -1.34957, "FDA_Category_D_and_X_Structural_Similarity": -0.126418, "FDA_Category_D_and_X_Weighted_Contribution": -0.81833, "FDA_Category_D_and_X_Top_Rank": -0.0888692, "Placenta_Crossing_L1000_Similarity": -1.42448, "Placenta_Crossing_Structural_Similarity": -0.0141295, "Placenta_Crossing_Weighted_Contribution": -0.72551, "Placenta_Crossing_Top_Rank": -0.0825579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC", "InChI_key": "UYJNQQDJUOUFQJ-UHFFFAOYSA-N" } }, "CID:9953599": { "type": "Drug", "properties": { "id": "CID:9953599", "label": "gr-159897", "lsm": "LSM-3158", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9953599", "FDA_Category_D_L1000_Similarity": -0.0558326, "FDA_Category_D_Structural_Similarity": -0.637496, "FDA_Category_D_Weighted_Contribution": -0.667101, "FDA_Category_D_Top_Rank": -0.0926757, "FDA_Category_X_L1000_Similarity": 2.12855, "FDA_Category_X_Structural_Similarity": 0.378261, "FDA_Category_X_Weighted_Contribution": 1.43637, "FDA_Category_X_Top_Rank": 0.0355163, "FDA_Category_D_and_X_L1000_Similarity": 0.598266, "FDA_Category_D_and_X_Structural_Similarity": -0.301881, "FDA_Category_D_and_X_Weighted_Contribution": -0.103303, "FDA_Category_D_and_X_Top_Rank": -0.0834664, "Placenta_Crossing_L1000_Similarity": 0.131339, "Placenta_Crossing_Structural_Similarity": -0.367453, "Placenta_Crossing_Weighted_Contribution": -0.393403, "Placenta_Crossing_Top_Rank": -0.0872619, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1(CCN(CC1)CCC2=CNC3=C2C=C(C=C3)F)CS(=O)C4=CC=CC=C4", "InChI_key": "BANYJBHWTOJQDU-GDLZYMKVSA-N" } }, "CID:9953769": { "type": "Drug", "properties": { "id": "CID:9953769", "label": "rs-504393", "lsm": "LSM-3952", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9953769", "FDA_Category_D_L1000_Similarity": -1.53155, "FDA_Category_D_Structural_Similarity": 0.437977, "FDA_Category_D_Weighted_Contribution": -0.505715, "FDA_Category_D_Top_Rank": -0.0732079, "FDA_Category_X_L1000_Similarity": 1.69256, "FDA_Category_X_Structural_Similarity": -0.181536, "FDA_Category_X_Weighted_Contribution": 0.559772, "FDA_Category_X_Top_Rank": -0.0314681, "FDA_Category_D_and_X_L1000_Similarity": -0.806219, "FDA_Category_D_and_X_Structural_Similarity": 0.249672, "FDA_Category_D_and_X_Weighted_Contribution": -0.308476, "FDA_Category_D_and_X_Top_Rank": -0.0805701, "Placenta_Crossing_L1000_Similarity": -1.40367, "Placenta_Crossing_Structural_Similarity": -0.504056, "Placenta_Crossing_Weighted_Contribution": -1.03055, "Placenta_Crossing_Top_Rank": -0.0897448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C", "InChI_key": "ODNICNWASXKNNQ-UHFFFAOYSA-N" } }, "CID:9958279": { "type": "Drug", "properties": { "id": "CID:9958279", "label": "S-26948", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9958279", "FDA_Category_D_L1000_Similarity": 0.404562, "FDA_Category_X_L1000_Similarity": -1.69985, "FDA_Category_D_and_X_L1000_Similarity": -0.167479, "Placenta_Crossing_L1000_Similarity": -0.683685, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10020353": { "type": "Drug", "properties": { "id": "CID:10020353", "label": "SKF-83822", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10020353", "FDA_Category_D_L1000_Similarity": 0.665306, "FDA_Category_D_Structural_Similarity": -0.594882, "FDA_Category_D_Weighted_Contribution": -0.295805, "FDA_Category_D_Top_Rank": -0.0807529, "FDA_Category_X_L1000_Similarity": 0.658833, "FDA_Category_X_Structural_Similarity": -0.615145, "FDA_Category_X_Weighted_Contribution": -0.381948, "FDA_Category_X_Top_Rank": -0.0800406, "FDA_Category_D_and_X_L1000_Similarity": 0.773572, "FDA_Category_D_and_X_Structural_Similarity": -0.804096, "FDA_Category_D_and_X_Weighted_Contribution": -0.44611, "FDA_Category_D_and_X_Top_Rank": -0.0786512, "Placenta_Crossing_L1000_Similarity": 0.820822, "Placenta_Crossing_Structural_Similarity": 0.422423, "Placenta_Crossing_Weighted_Contribution": 0.692815, "Placenta_Crossing_Top_Rank": -0.0718738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10022508": { "type": "Drug", "properties": { "id": "CID:10022508", "label": "mdm2-inhibitor", "lsm": "LSM-3902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10022508", "FDA_Category_D_L1000_Similarity": -1.06956, "FDA_Category_D_Structural_Similarity": -0.96291, "FDA_Category_D_Weighted_Contribution": -1.22654, "FDA_Category_D_Top_Rank": -0.0963822, "FDA_Category_X_L1000_Similarity": -0.344811, "FDA_Category_X_Structural_Similarity": -0.756709, "FDA_Category_X_Weighted_Contribution": -0.882725, "FDA_Category_X_Top_Rank": -0.0894619, "FDA_Category_D_and_X_L1000_Similarity": -1.02669, "FDA_Category_D_and_X_Structural_Similarity": -1.17259, "FDA_Category_D_and_X_Weighted_Contribution": -1.28908, "FDA_Category_D_and_X_Top_Rank": -0.0962568, "Placenta_Crossing_L1000_Similarity": 0.0830391, "Placenta_Crossing_Structural_Similarity": -0.968103, "Placenta_Crossing_Weighted_Contribution": -0.853349, "Placenta_Crossing_Top_Rank": -0.0876838, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B(C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)I)(O)O", "InChI_key": "BYMGWCQXSPGCMW-XCVCLJGOSA-N" } }, "CID:10026128": { "type": "Drug", "properties": { "id": "CID:10026128", "label": "turofexorate isopropyl", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10026128", "FDA_Category_D_L1000_Similarity": 1.88135, "FDA_Category_D_Structural_Similarity": -0.81402, "FDA_Category_D_Weighted_Contribution": 0.159408, "FDA_Category_D_Top_Rank": 0.107985, "FDA_Category_X_L1000_Similarity": -0.498825, "FDA_Category_X_Structural_Similarity": 2.82411, "FDA_Category_X_Weighted_Contribution": 2.64949, "FDA_Category_X_Top_Rank": 0.168994, "FDA_Category_D_and_X_L1000_Similarity": 1.47026, "FDA_Category_D_and_X_Structural_Similarity": 0.877778, "FDA_Category_D_and_X_Weighted_Contribution": 1.60527, "FDA_Category_D_and_X_Top_Rank": -0.0273931, "Placenta_Crossing_L1000_Similarity": 1.50892, "Placenta_Crossing_Structural_Similarity": -0.873912, "Placenta_Crossing_Weighted_Contribution": -0.230518, "Placenta_Crossing_Top_Rank": -0.0391482, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F", "InChI_key": "INASOKQDNHHMRE-UHFFFAOYSA-N" } }, "CID:10096344": { "type": "Drug", "properties": { "id": "CID:10096344", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10096344", "label": "linagliptin", "FDA_Category_D_L1000_Similarity": 0.162471, "FDA_Category_D_Structural_Similarity": 0.665619, "FDA_Category_D_Weighted_Contribution": 0.643937, "FDA_Category_D_Top_Rank": -0.0653031, "FDA_Category_X_L1000_Similarity": 2.66796, "FDA_Category_X_Structural_Similarity": -0.313935, "FDA_Category_X_Weighted_Contribution": 0.955505, "FDA_Category_X_Top_Rank": 0.270691, "FDA_Category_D_and_X_L1000_Similarity": 0.950269, "FDA_Category_D_and_X_Structural_Similarity": 0.358913, "FDA_Category_D_and_X_Weighted_Contribution": 0.74227, "FDA_Category_D_and_X_Top_Rank": -0.0717865, "Placenta_Crossing_L1000_Similarity": 1.10342, "Placenta_Crossing_Structural_Similarity": 0.00521112, "Placenta_Crossing_Weighted_Contribution": 0.408792, "Placenta_Crossing_Top_Rank": -0.0664931, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C", "InChI_key": "LTXREWYXXSTFRX-QGZVFWFLSA-N" } }, "CID:10109069": { "type": "Drug", "properties": { "id": "CID:10109069", "label": "ns-3694", "lsm": "LSM-2591", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10109069", "FDA_Category_D_L1000_Similarity": 0.825541, "FDA_Category_D_Structural_Similarity": -0.702662, "FDA_Category_D_Weighted_Contribution": -0.307801, "FDA_Category_D_Top_Rank": -0.0746618, "FDA_Category_X_L1000_Similarity": -0.593703, "FDA_Category_X_Structural_Similarity": -0.273115, "FDA_Category_X_Weighted_Contribution": -0.618284, "FDA_Category_X_Top_Rank": -0.0860062, "FDA_Category_D_and_X_L1000_Similarity": 0.531336, "FDA_Category_D_and_X_Structural_Similarity": -0.705084, "FDA_Category_D_and_X_Weighted_Contribution": -0.475204, "FDA_Category_D_and_X_Top_Rank": -0.0851222, "Placenta_Crossing_L1000_Similarity": 0.514158, "Placenta_Crossing_Structural_Similarity": -0.623444, "Placenta_Crossing_Weighted_Contribution": -0.443629, "Placenta_Crossing_Top_Rank": -0.082699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)C(F)(F)F", "InChI_key": "GNCZTZCPXFDPLI-UHFFFAOYSA-N" } }, "CID:10186367": { "type": "Drug", "properties": { "id": "CID:10186367", "label": "CT-7758", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10186367", "FDA_Category_D_L1000_Similarity": 1.0252, "FDA_Category_D_Structural_Similarity": -0.734889, "FDA_Category_D_Weighted_Contribution": -0.234174, "FDA_Category_D_Top_Rank": -0.0639613, "FDA_Category_X_L1000_Similarity": 1.63536, "FDA_Category_X_Structural_Similarity": -0.323856, "FDA_Category_X_Weighted_Contribution": 0.375918, "FDA_Category_X_Top_Rank": -0.0369343, "FDA_Category_D_and_X_L1000_Similarity": 1.38037, "FDA_Category_D_and_X_Structural_Similarity": -0.758042, "FDA_Category_D_and_X_Weighted_Contribution": -0.119221, "FDA_Category_D_and_X_Top_Rank": -0.0393864, "Placenta_Crossing_L1000_Similarity": 2.55127, "Placenta_Crossing_Structural_Similarity": -0.921856, "Placenta_Crossing_Weighted_Contribution": 0.216231, "Placenta_Crossing_Top_Rank": 0.321424, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10223146": { "type": "Drug", "properties": { "id": "CID:10223146", "label": "jte-013", "lsm": "LSM-2961", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10223146", "FDA_Category_D_L1000_Similarity": -1.21657, "FDA_Category_D_Structural_Similarity": 0.428786, "FDA_Category_D_Weighted_Contribution": -0.3625, "FDA_Category_D_Top_Rank": -0.0734859, "FDA_Category_X_L1000_Similarity": -0.964063, "FDA_Category_X_Structural_Similarity": 0.242195, "FDA_Category_X_Weighted_Contribution": -0.342275, "FDA_Category_X_Top_Rank": -0.0718068, "FDA_Category_D_and_X_L1000_Similarity": -1.34146, "FDA_Category_D_and_X_Structural_Similarity": 0.47102, "FDA_Category_D_and_X_Weighted_Contribution": -0.373801, "FDA_Category_D_and_X_Top_Rank": -0.0747999, "Placenta_Crossing_L1000_Similarity": -0.946088, "Placenta_Crossing_Structural_Similarity": -0.469777, "Placenta_Crossing_Weighted_Contribution": -0.868708, "Placenta_Crossing_Top_Rank": -0.0894201, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C", "InChI_key": "RNSLRQNDXRSASX-UHFFFAOYSA-N" } }, "CID:10286159": { "type": "Drug", "properties": { "id": "CID:10286159", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10286159", "label": "erteberel", "FDA_Category_D_L1000_Similarity": -0.452345, "FDA_Category_D_Structural_Similarity": -0.222188, "FDA_Category_D_Weighted_Contribution": -0.527972, "FDA_Category_D_Top_Rank": -0.089961, "FDA_Category_X_L1000_Similarity": 0.667692, "FDA_Category_X_Structural_Similarity": 0.0430532, "FDA_Category_X_Weighted_Contribution": 0.252849, "FDA_Category_X_Top_Rank": -0.0787238, "FDA_Category_D_and_X_L1000_Similarity": -0.187163, "FDA_Category_D_and_X_Structural_Similarity": -0.153122, "FDA_Category_D_and_X_Weighted_Contribution": -0.354943, "FDA_Category_D_and_X_Top_Rank": -0.0893622, "Placenta_Crossing_L1000_Similarity": 0.888427, "Placenta_Crossing_Structural_Similarity": -0.574605, "Placenta_Crossing_Weighted_Contribution": -0.243973, "Placenta_Crossing_Top_Rank": -0.073979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2C(C1)C3=C(C=CC(=C3)O)OC2C4=CC=C(C=C4)O", "InChI_key": "XIESSJVMWNJCGZ-VKJFTORMSA-N" } }, "CID:10313": { "type": "Drug", "properties": { "id": "CID:10313", "label": "benzhydroxamic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10313", "FDA_Category_D_L1000_Similarity": 1.48276, "FDA_Category_D_Structural_Similarity": -0.114949, "FDA_Category_D_Weighted_Contribution": 0.636059, "FDA_Category_D_Top_Rank": -0.012558, "FDA_Category_X_L1000_Similarity": 0.700805, "FDA_Category_X_Structural_Similarity": -0.750575, "FDA_Category_X_Weighted_Contribution": -0.479722, "FDA_Category_X_Top_Rank": -0.079125, "FDA_Category_D_and_X_L1000_Similarity": 1.49099, "FDA_Category_D_and_X_Structural_Similarity": -0.496243, "FDA_Category_D_and_X_Weighted_Contribution": 0.182631, "FDA_Category_D_and_X_Top_Rank": -0.0249229, "Placenta_Crossing_L1000_Similarity": 1.77054, "Placenta_Crossing_Structural_Similarity": 1.52923, "Placenta_Crossing_Weighted_Contribution": 2.35455, "Placenta_Crossing_Top_Rank": -0.00480663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)NO", "InChI_key": "VDEUYMSGMPQMIK-UHFFFAOYSA-N" } }, "CID:10401611": { "type": "Drug", "properties": { "id": "CID:10401611", "label": "MC-1293", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10401611", "FDA_Category_D_L1000_Similarity": -0.918037, "FDA_Category_D_Structural_Similarity": 1.81494, "FDA_Category_D_Weighted_Contribution": 1.20348, "FDA_Category_D_Top_Rank": 0.0208936, "FDA_Category_X_L1000_Similarity": 0.730106, "FDA_Category_X_Structural_Similarity": 0.430048, "FDA_Category_X_Weighted_Contribution": 0.702625, "FDA_Category_X_Top_Rank": -0.0647147, "FDA_Category_D_and_X_L1000_Similarity": -0.569644, "FDA_Category_D_and_X_Structural_Similarity": 1.6726, "FDA_Category_D_and_X_Weighted_Contribution": 1.23402, "FDA_Category_D_and_X_Top_Rank": 0.00154407, "Placenta_Crossing_L1000_Similarity": -0.815438, "Placenta_Crossing_Structural_Similarity": 0.519986, "Placenta_Crossing_Weighted_Contribution": -0.0376205, "Placenta_Crossing_Top_Rank": -0.0689458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10404245": { "type": "Drug", "properties": { "id": "CID:10404245", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10404245", "label": "macelignan", "FDA_Category_D_L1000_Similarity": -0.700599, "FDA_Category_D_Structural_Similarity": -0.629155, "FDA_Category_D_Weighted_Contribution": -0.919172, "FDA_Category_D_Top_Rank": -0.0953135, "FDA_Category_X_L1000_Similarity": 0.235155, "FDA_Category_X_Structural_Similarity": -0.474549, "FDA_Category_X_Weighted_Contribution": -0.443408, "FDA_Category_X_Top_Rank": -0.0856196, "FDA_Category_D_and_X_L1000_Similarity": -0.532521, "FDA_Category_D_and_X_Structural_Similarity": -0.755434, "FDA_Category_D_and_X_Weighted_Contribution": -0.926625, "FDA_Category_D_and_X_Top_Rank": -0.0951979, "Placenta_Crossing_L1000_Similarity": -1.36198, "Placenta_Crossing_Structural_Similarity": -0.879621, "Placenta_Crossing_Weighted_Contribution": -1.21737, "Placenta_Crossing_Top_Rank": -0.0920842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC", "InChI_key": "QDDILOVMGWUNGD-UONOGXRCSA-N" } }, "CID:10410310": { "type": "Drug", "properties": { "id": "CID:10410310", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10410310", "label": "Tetracycline", "FDA_Category_D_L1000_Similarity": -0.338519, "FDA_Category_D_Structural_Similarity": 3.96894, "FDA_Category_D_Weighted_Contribution": 3.45332, "FDA_Category_D_Top_Rank": 0.514327, "FDA_Category_X_L1000_Similarity": 1.00252, "FDA_Category_X_Structural_Similarity": -0.55339, "FDA_Category_X_Weighted_Contribution": -0.170871, "FDA_Category_X_Top_Rank": -0.0713182, "FDA_Category_D_and_X_L1000_Similarity": 0.0126394, "FDA_Category_D_and_X_Structural_Similarity": 2.85159, "FDA_Category_D_and_X_Weighted_Contribution": 2.71485, "FDA_Category_D_and_X_Top_Rank": 0.164019, "Placenta_Crossing_L1000_Similarity": 0.373612, "Placenta_Crossing_Structural_Similarity": -0.239577, "Placenta_Crossing_Weighted_Contribution": -0.179196, "Placenta_Crossing_Top_Rank": -0.0847891, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1 } }, "CID:1042895": { "type": "Drug", "properties": { "id": "CID:1042895", "label": "felamidin", "lsm": "LSM-2804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1042895", "FDA_Category_D_L1000_Similarity": 0.227726, "FDA_Category_D_Structural_Similarity": 0.0146192, "FDA_Category_D_Weighted_Contribution": 0.0245476, "FDA_Category_D_Top_Rank": -0.0848029, "FDA_Category_X_L1000_Similarity": -0.575739, "FDA_Category_X_Structural_Similarity": -0.40111, "FDA_Category_X_Weighted_Contribution": -0.710094, "FDA_Category_X_Top_Rank": -0.0882215, "FDA_Category_D_and_X_L1000_Similarity": 0.021458, "FDA_Category_D_and_X_Structural_Similarity": -0.204834, "FDA_Category_D_and_X_Weighted_Contribution": -0.300512, "FDA_Category_D_and_X_Top_Rank": -0.0903202, "Placenta_Crossing_L1000_Similarity": 0.43215, "Placenta_Crossing_Structural_Similarity": -0.000454484, "Placenta_Crossing_Weighted_Contribution": 0.0677825, "Placenta_Crossing_Top_Rank": -0.0823674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4", "InChI_key": "VIPXLQMQEIDXMH-SFHVURJKSA-N" } }, "CID:10436840": { "type": "Drug", "properties": { "id": "CID:10436840", "label": "NH-125", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10436840", "FDA_Category_D_L1000_Similarity": -1.17421, "FDA_Category_X_L1000_Similarity": 0.535931, "FDA_Category_D_and_X_L1000_Similarity": -0.849423, "Placenta_Crossing_L1000_Similarity": -0.323223, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10446295": { "type": "Drug", "properties": { "id": "CID:10446295", "label": "jnj-10191584", "lsm": "LSM-2328", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10446295", "FDA_Category_D_L1000_Similarity": 0.871546, "FDA_Category_D_Structural_Similarity": -0.945929, "FDA_Category_D_Weighted_Contribution": -0.487154, "FDA_Category_D_Top_Rank": -0.0727326, "FDA_Category_X_L1000_Similarity": 1.42204, "FDA_Category_X_Structural_Similarity": -0.747843, "FDA_Category_X_Weighted_Contribution": -0.156376, "FDA_Category_X_Top_Rank": -0.0517224, "FDA_Category_D_and_X_L1000_Similarity": 1.18313, "FDA_Category_D_and_X_Structural_Similarity": -1.15433, "FDA_Category_D_and_X_Weighted_Contribution": -0.540184, "FDA_Category_D_and_X_Top_Rank": -0.0560174, "Placenta_Crossing_L1000_Similarity": 2.39667, "Placenta_Crossing_Structural_Similarity": -1.0533, "Placenta_Crossing_Weighted_Contribution": 0.0147243, "Placenta_Crossing_Top_Rank": 0.212868, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl", "InChI_key": "MOIWSUQWIOVGRH-UHFFFAOYSA-N" } }, "CID:104956": { "type": "Drug", "properties": { "id": "CID:104956", "label": "skf-96365", "lsm": "LSM-1766", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/104956", "FDA_Category_D_L1000_Similarity": -1.00099, "FDA_Category_D_Structural_Similarity": 0.0854786, "FDA_Category_D_Weighted_Contribution": -0.538635, "FDA_Category_D_Top_Rank": -0.0829546, "FDA_Category_X_L1000_Similarity": -0.861293, "FDA_Category_X_Structural_Similarity": -0.325424, "FDA_Category_X_Weighted_Contribution": -0.760115, "FDA_Category_X_Top_Rank": -0.0869511, "FDA_Category_D_and_X_L1000_Similarity": -1.12443, "FDA_Category_D_and_X_Structural_Similarity": -0.107752, "FDA_Category_D_and_X_Weighted_Contribution": -0.720388, "FDA_Category_D_and_X_Top_Rank": -0.0884662, "Placenta_Crossing_L1000_Similarity": -1.28105, "Placenta_Crossing_Structural_Similarity": -0.710475, "Placenta_Crossing_Weighted_Contribution": -1.11037, "Placenta_Crossing_Top_Rank": -0.0913039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC", "InChI_key": "HLMBXBGDBBCYII-UHFFFAOYSA-N" } }, "CID:10521421": { "type": "Drug", "properties": { "id": "CID:10521421", "label": "10-debc", "lsm": "LSM-4710", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10521421", "FDA_Category_D_L1000_Similarity": 0.798065, "FDA_Category_D_Structural_Similarity": -0.644909, "FDA_Category_D_Weighted_Contribution": -0.271816, "FDA_Category_D_Top_Rank": -0.0759938, "FDA_Category_X_L1000_Similarity": 2.09492, "FDA_Category_X_Structural_Similarity": -0.245111, "FDA_Category_X_Weighted_Contribution": 0.71127, "FDA_Category_X_Top_Rank": 0.0280664, "FDA_Category_D_and_X_L1000_Similarity": 1.32413, "FDA_Category_D_and_X_Structural_Similarity": -0.644134, "FDA_Category_D_and_X_Weighted_Contribution": -0.0446704, "FDA_Category_D_and_X_Top_Rank": -0.0445126, "Placenta_Crossing_L1000_Similarity": 0.435122, "Placenta_Crossing_Structural_Similarity": 1.27703, "Placenta_Crossing_Weighted_Contribution": 1.4009, "Placenta_Crossing_Top_Rank": -0.0343216, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl", "InChI_key": "GYBXAGDWMCJZJK-UHFFFAOYSA-N" } }, "CID:10621": { "type": "Drug", "properties": { "id": "CID:10621", "label": "hesperidin", "lsm": "LSM-2858", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10621", "FDA_Category_D_L1000_Similarity": 1.30955, "FDA_Category_D_Structural_Similarity": 0.356131, "FDA_Category_D_Weighted_Contribution": 1.03465, "FDA_Category_D_Top_Rank": -0.0365148, "FDA_Category_X_L1000_Similarity": 0.384762, "FDA_Category_X_Structural_Similarity": 0.486916, "FDA_Category_X_Weighted_Contribution": 0.575069, "FDA_Category_X_Top_Rank": -0.0625648, "FDA_Category_D_and_X_L1000_Similarity": 1.24569, "FDA_Category_D_and_X_Structural_Similarity": 0.545404, "FDA_Category_D_and_X_Weighted_Contribution": 1.11663, "FDA_Category_D_and_X_Top_Rank": -0.0518681, "Placenta_Crossing_L1000_Similarity": 0.569445, "Placenta_Crossing_Structural_Similarity": 0.104629, "Placenta_Crossing_Weighted_Contribution": 0.236983, "Placenta_Crossing_Top_Rank": -0.0798833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O", "InChI_key": "QUQPHWDTPGMPEX-QJBIFVCTSA-N" } }, "CID:10660": { "type": "Drug", "properties": { "id": "CID:10660", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10660", "label": "dimenhydrinate", "FDA_Category_D_L1000_Similarity": 0.781847, "FDA_Category_D_Structural_Similarity": 1.29723, "FDA_Category_D_Weighted_Contribution": 1.72273, "FDA_Category_D_Top_Rank": -0.0342783, "FDA_Category_X_L1000_Similarity": -0.697171, "FDA_Category_X_Structural_Similarity": 2.07014, "FDA_Category_X_Weighted_Contribution": 1.75089, "FDA_Category_X_Top_Rank": 0.0481085, "FDA_Category_D_and_X_L1000_Similarity": 0.46224, "FDA_Category_D_and_X_Structural_Similarity": 2.14667, "FDA_Category_D_and_X_Weighted_Contribution": 2.31262, "FDA_Category_D_and_X_Top_Rank": 0.0551342, "Placenta_Crossing_L1000_Similarity": 0.179741, "Placenta_Crossing_Structural_Similarity": -0.186576, "Placenta_Crossing_Weighted_Contribution": -0.219135, "Placenta_Crossing_Top_Rank": -0.0857481, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2", "InChI_key": "NFLLKCVHYJRNRH-UHFFFAOYSA-N" } }, "CID:10666": { "type": "Drug", "properties": { "id": "CID:10666", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10666", "label": "ricinine", "FDA_Category_D_L1000_Similarity": 0.262753, "FDA_Category_D_Structural_Similarity": -0.594598, "FDA_Category_D_Weighted_Contribution": -0.491283, "FDA_Category_D_Top_Rank": -0.0893824, "FDA_Category_X_L1000_Similarity": 1.9283, "FDA_Category_X_Structural_Similarity": -0.743676, "FDA_Category_X_Weighted_Contribution": 0.0937709, "FDA_Category_X_Top_Rank": -0.000668819, "FDA_Category_D_and_X_L1000_Similarity": 0.812086, "FDA_Category_D_and_X_Structural_Similarity": -0.873225, "FDA_Category_D_and_X_Weighted_Contribution": -0.483648, "FDA_Category_D_and_X_Top_Rank": -0.0772949, "Placenta_Crossing_L1000_Similarity": 1.28618, "Placenta_Crossing_Structural_Similarity": -0.987841, "Placenta_Crossing_Weighted_Contribution": -0.421599, "Placenta_Crossing_Top_Rank": -0.0566419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=CC(=C(C1=O)C#N)OC", "InChI_key": "PETSAYFQSGAEQY-UHFFFAOYSA-N" } }, "CID:107751": { "type": "Drug", "properties": { "id": "CID:107751", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107751", "label": "racecadotril", "FDA_Category_D_L1000_Similarity": 0.383317, "FDA_Category_D_Structural_Similarity": 0.654119, "FDA_Category_D_Weighted_Contribution": 0.769749, "FDA_Category_D_Top_Rank": -0.0656488, "FDA_Category_X_L1000_Similarity": 2.55125, "FDA_Category_X_Structural_Similarity": 0.173331, "FDA_Category_X_Weighted_Contribution": 1.44388, "FDA_Category_X_Top_Rank": 0.188768, "FDA_Category_D_and_X_L1000_Similarity": 1.1052, "FDA_Category_D_and_X_Structural_Similarity": 0.612712, "FDA_Category_D_and_X_Weighted_Contribution": 1.10437, "FDA_Category_D_and_X_Top_Rank": -0.0623208, "Placenta_Crossing_L1000_Similarity": 2.32091, "Placenta_Crossing_Structural_Similarity": -0.296974, "Placenta_Crossing_Weighted_Contribution": 0.736796, "Placenta_Crossing_Top_Rank": 0.167104, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2", "InChI_key": "ODUOJXZPIYUATO-UHFFFAOYSA-N" } }, "CID:107838": { "type": "Drug", "properties": { "id": "CID:107838", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107838", "label": "noreleagnine", "FDA_Category_D_L1000_Similarity": 0.542479, "FDA_Category_D_Structural_Similarity": -0.954897, "FDA_Category_D_Weighted_Contribution": -0.64275, "FDA_Category_D_Top_Rank": -0.0841799, "FDA_Category_X_L1000_Similarity": -0.238737, "FDA_Category_X_Structural_Similarity": -0.710485, "FDA_Category_X_Weighted_Contribution": -0.813338, "FDA_Category_X_Top_Rank": -0.0889965, "FDA_Category_D_and_X_L1000_Similarity": 0.395129, "FDA_Category_D_and_X_Structural_Similarity": -1.14129, "FDA_Category_D_and_X_Weighted_Contribution": -0.842335, "FDA_Category_D_and_X_Top_Rank": -0.087512, "Placenta_Crossing_L1000_Similarity": 0.579731, "Placenta_Crossing_Structural_Similarity": -1.09768, "Placenta_Crossing_Weighted_Contribution": -0.771767, "Placenta_Crossing_Top_Rank": -0.0814523, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCC2=C1C3=CC=CC=C3N2", "InChI_key": "CFTOTSJVQRFXOF-UHFFFAOYSA-N" } }, "CID:107930": { "type": "Drug", "properties": { "id": "CID:107930", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107930", "label": "ecopipam", "FDA_Category_D_L1000_Similarity": -0.539336, "FDA_Category_D_Structural_Similarity": -0.417654, "FDA_Category_D_Weighted_Contribution": -0.713007, "FDA_Category_D_Top_Rank": -0.0931344, "FDA_Category_X_L1000_Similarity": 1.90399, "FDA_Category_X_Structural_Similarity": -0.421279, "FDA_Category_X_Weighted_Contribution": 0.415278, "FDA_Category_X_Top_Rank": -0.00452696, "FDA_Category_D_and_X_L1000_Similarity": 0.113287, "FDA_Category_D_and_X_Structural_Similarity": -0.558818, "FDA_Category_D_and_X_Weighted_Contribution": -0.543394, "FDA_Category_D_and_X_Top_Rank": -0.0911699, "Placenta_Crossing_L1000_Similarity": -0.188229, "Placenta_Crossing_Structural_Similarity": -0.487411, "Placenta_Crossing_Weighted_Contribution": -0.614255, "Placenta_Crossing_Top_Rank": -0.0895244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C(C=C2C3C1CCC4=CC=CC=C34)O)Cl", "InChI_key": "DMJWENQHWZZWDF-PKOBYXMFSA-N" } }, "CID:107982": { "type": "Drug", "properties": { "id": "CID:107982", "label": "dihydrocapsaicin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107982", "FDA_Category_D_L1000_Similarity": -0.445642, "FDA_Category_D_Structural_Similarity": -0.389353, "FDA_Category_D_Weighted_Contribution": -0.652452, "FDA_Category_D_Top_Rank": -0.0927794, "FDA_Category_X_L1000_Similarity": 0.558732, "FDA_Category_X_Structural_Similarity": -0.288573, "FDA_Category_X_Weighted_Contribution": -0.13068, "FDA_Category_X_Top_Rank": -0.0816727, "FDA_Category_D_and_X_L1000_Similarity": -0.214472, "FDA_Category_D_and_X_Structural_Similarity": -0.464747, "FDA_Category_D_and_X_Weighted_Contribution": -0.610643, "FDA_Category_D_and_X_Top_Rank": -0.0936502, "Placenta_Crossing_L1000_Similarity": -0.71265, "Placenta_Crossing_Structural_Similarity": -0.371902, "Placenta_Crossing_Weighted_Contribution": -0.723162, "Placenta_Crossing_Top_Rank": -0.0883998, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10831": { "type": "Drug", "properties": { "id": "CID:10831", "label": "diperodon", "lsm": "LSM-4393", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10831", "FDA_Category_D_L1000_Similarity": 0.127468, "FDA_Category_D_Structural_Similarity": -0.333805, "FDA_Category_D_Weighted_Contribution": -0.341853, "FDA_Category_D_Top_Rank": -0.0909759, "FDA_Category_X_L1000_Similarity": 1.41074, "FDA_Category_X_Structural_Similarity": 0.19978, "FDA_Category_X_Weighted_Contribution": 0.825576, "FDA_Category_X_Top_Rank": -0.0525744, "FDA_Category_D_and_X_L1000_Similarity": 0.538297, "FDA_Category_D_and_X_Structural_Similarity": -0.157145, "FDA_Category_D_and_X_Weighted_Contribution": -0.00191209, "FDA_Category_D_and_X_Top_Rank": -0.0849071, "Placenta_Crossing_L1000_Similarity": 0.00946347, "Placenta_Crossing_Structural_Similarity": 0.355842, "Placenta_Crossing_Weighted_Contribution": 0.204676, "Placenta_Crossing_Top_Rank": -0.0736798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11175137": { "type": "Drug", "properties": { "id": "CID:11175137", "label": "4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11175137", "FDA_Category_D_L1000_Similarity": -0.764125, "FDA_Category_D_Structural_Similarity": 1.78812, "FDA_Category_D_Weighted_Contribution": 1.27279, "FDA_Category_D_Top_Rank": 0.0177603, "FDA_Category_X_L1000_Similarity": 1.12153, "FDA_Category_X_Structural_Similarity": -0.639384, "FDA_Category_X_Weighted_Contribution": -0.195492, "FDA_Category_X_Top_Rank": -0.0673097, "FDA_Category_D_and_X_L1000_Similarity": -0.318092, "FDA_Category_D_and_X_Structural_Similarity": 1.07425, "FDA_Category_D_and_X_Weighted_Contribution": 0.746825, "FDA_Category_D_and_X_Top_Rank": -0.0483068, "Placenta_Crossing_L1000_Similarity": -0.641781, "Placenta_Crossing_Structural_Similarity": -0.555476, "Placenta_Crossing_Weighted_Contribution": -0.823886, "Placenta_Crossing_Top_Rank": -0.0901884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl", "InChI_key": "LZMOSYUFVYJEPY-UHFFFAOYSA-N" } }, "CID:11256587": { "type": "Drug", "properties": { "id": "CID:11256587", "label": "amd-070", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11256587", "FDA_Category_D_L1000_Similarity": -0.854012, "FDA_Category_D_Structural_Similarity": 1.43155, "FDA_Category_D_Weighted_Contribution": 0.82667, "FDA_Category_D_Top_Rank": -0.024253, "FDA_Category_X_L1000_Similarity": -0.571659, "FDA_Category_X_Structural_Similarity": 0.981982, "FDA_Category_X_Weighted_Contribution": 0.593071, "FDA_Category_X_Top_Rank": -0.0420357, "FDA_Category_D_and_X_L1000_Similarity": -0.909775, "FDA_Category_D_and_X_Structural_Similarity": 1.66611, "FDA_Category_D_and_X_Weighted_Contribution": 1.02294, "FDA_Category_D_and_X_Top_Rank": 0.000787559, "Placenta_Crossing_L1000_Similarity": -0.591186, "Placenta_Crossing_Structural_Similarity": 0.865047, "Placenta_Crossing_Weighted_Contribution": 0.408946, "Placenta_Crossing_Top_Rank": -0.0567379, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3", "InChI_key": "WVLHHLRVNDMIAR-IBGZPJMESA-N" } }, "CID:11289": { "type": "Drug", "properties": { "id": "CID:11289", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11289", "label": "chlorotrianisene", "FDA_Category_D_L1000_Similarity": -0.169515, "FDA_Category_D_Structural_Similarity": 0.0269351, "FDA_Category_D_Weighted_Contribution": -0.178901, "FDA_Category_D_Top_Rank": -0.0844996, "FDA_Category_X_L1000_Similarity": -0.497064, "FDA_Category_X_Structural_Similarity": 3.56664, "FDA_Category_X_Weighted_Contribution": 3.29014, "FDA_Category_X_Top_Rank": 0.377406, "FDA_Category_D_and_X_L1000_Similarity": -0.297072, "FDA_Category_D_and_X_Structural_Similarity": 1.94592, "FDA_Category_D_and_X_Weighted_Contribution": 1.68656, "FDA_Category_D_and_X_Top_Rank": 0.028349, "Placenta_Crossing_L1000_Similarity": -0.310099, "Placenta_Crossing_Structural_Similarity": -0.566239, "Placenta_Crossing_Weighted_Contribution": -0.716206, "Placenta_Crossing_Top_Rank": -0.0900869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC", "InChI_key": "BFPSDSIWYFKGBC-UHFFFAOYSA-N" } }, "CID:11292680": { "type": "Drug", "properties": { "id": "CID:11292680", "label": "sa-1478088", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11292680", "FDA_Category_D_L1000_Similarity": -1.8387, "FDA_Category_D_Structural_Similarity": -0.185426, "FDA_Category_D_Weighted_Contribution": -1.05316, "FDA_Category_D_Top_Rank": -0.0892006, "FDA_Category_X_L1000_Similarity": -1.0493, "FDA_Category_X_Structural_Similarity": -0.522167, "FDA_Category_X_Weighted_Contribution": -0.961484, "FDA_Category_X_Top_Rank": -0.0901209, "FDA_Category_D_and_X_L1000_Similarity": -1.90364, "FDA_Category_D_and_X_Structural_Similarity": -0.428934, "FDA_Category_D_and_X_Weighted_Contribution": -1.17115, "FDA_Category_D_and_X_Top_Rank": -0.0932797, "Placenta_Crossing_L1000_Similarity": -3.18841, "Placenta_Crossing_Structural_Similarity": -0.496418, "Placenta_Crossing_Weighted_Contribution": -1.44676, "Placenta_Crossing_Top_Rank": -0.0896429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2", "InChI_key": "DGZZVIWCMGVHGV-LJQANCHMSA-N" } }, "CID:11327430": { "type": "Drug", "properties": { "id": "CID:11327430", "label": "nu-7441", "lsm": "LSM-1061", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11327430", "FDA_Category_D_L1000_Similarity": -1.4929, "FDA_Category_D_Structural_Similarity": -0.466653, "FDA_Category_D_Weighted_Contribution": -1.09738, "FDA_Category_D_Top_Rank": -0.0937364, "FDA_Category_X_L1000_Similarity": 0.587896, "FDA_Category_X_Structural_Similarity": -0.197465, "FDA_Category_X_Weighted_Contribution": -0.0292624, "FDA_Category_X_Top_Rank": -0.0811783, "FDA_Category_D_and_X_L1000_Similarity": -1.10837, "FDA_Category_D_and_X_Structural_Similarity": -0.47694, "FDA_Category_D_and_X_Weighted_Contribution": -0.953408, "FDA_Category_D_and_X_Top_Rank": -0.093785, "Placenta_Crossing_L1000_Similarity": -0.897307, "Placenta_Crossing_Structural_Similarity": -0.517006, "Placenta_Crossing_Weighted_Contribution": -0.883101, "Placenta_Crossing_Top_Rank": -0.0898495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56", "InChI_key": "JAMULYFATHSZJM-UHFFFAOYSA-N" } }, "CID:1133083": { "type": "Drug", "properties": { "id": "CID:1133083", "label": "BG-1013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1133083", "FDA_Category_D_L1000_Similarity": -0.218337, "FDA_Category_D_Structural_Similarity": -0.217425, "FDA_Category_D_Weighted_Contribution": -0.413845, "FDA_Category_D_Top_Rank": -0.0898636, "FDA_Category_X_L1000_Similarity": 0.785312, "FDA_Category_X_Structural_Similarity": 1.14235, "FDA_Category_X_Weighted_Contribution": 1.54096, "FDA_Category_X_Top_Rank": -0.0332931, "FDA_Category_D_and_X_L1000_Similarity": 0.0502767, "FDA_Category_D_and_X_Structural_Similarity": 0.443837, "FDA_Category_D_and_X_Weighted_Contribution": 0.312434, "FDA_Category_D_and_X_Top_Rank": -0.075688, "Placenta_Crossing_L1000_Similarity": -0.429499, "Placenta_Crossing_Structural_Similarity": 0.453076, "Placenta_Crossing_Weighted_Contribution": 0.0833985, "Placenta_Crossing_Top_Rank": -0.0709787, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11345983": { "type": "Drug", "properties": { "id": "CID:11345983", "label": "cardiogenol-c", "lsm": "LSM-4235", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11345983", "FDA_Category_D_L1000_Similarity": 0.304477, "FDA_Category_D_Structural_Similarity": 1.29028, "FDA_Category_D_Weighted_Contribution": 1.41266, "FDA_Category_D_Top_Rank": -0.0350134, "FDA_Category_X_L1000_Similarity": 0.375985, "FDA_Category_X_Structural_Similarity": -0.678407, "FDA_Category_X_Weighted_Contribution": -0.554292, "FDA_Category_X_Top_Rank": -0.0840801, "FDA_Category_D_and_X_L1000_Similarity": 0.376638, "FDA_Category_D_and_X_Structural_Similarity": 0.658047, "FDA_Category_D_and_X_Weighted_Contribution": 0.71873, "FDA_Category_D_and_X_Top_Rank": -0.068743, "Placenta_Crossing_L1000_Similarity": 0.97274, "Placenta_Crossing_Structural_Similarity": 1.70294, "Placenta_Crossing_Weighted_Contribution": 2.13032, "Placenta_Crossing_Top_Rank": -0.000938026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCCO", "InChI_key": "LKBSMPFEKIBRGC-UHFFFAOYSA-N" } }, "CID:11467730": { "type": "Drug", "properties": { "id": "CID:11467730", "label": "BMS-509744", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11467730", "FDA_Category_D_L1000_Similarity": 0.506479, "FDA_Category_D_Structural_Similarity": -0.688778, "FDA_Category_D_Weighted_Contribution": -0.452216, "FDA_Category_D_Top_Rank": -0.0851304, "FDA_Category_X_L1000_Similarity": 1.65449, "FDA_Category_X_Structural_Similarity": -0.553093, "FDA_Category_X_Weighted_Contribution": 0.147817, "FDA_Category_X_Top_Rank": -0.0347268, "FDA_Category_D_and_X_L1000_Similarity": 0.939032, "FDA_Category_D_and_X_Structural_Similarity": -0.845139, "FDA_Category_D_and_X_Weighted_Contribution": -0.404593, "FDA_Category_D_and_X_Top_Rank": -0.0724036, "Placenta_Crossing_L1000_Similarity": 0.191414, "Placenta_Crossing_Structural_Similarity": -0.0821285, "Placenta_Crossing_Weighted_Contribution": -0.121043, "Placenta_Crossing_Top_Rank": -0.0838673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:114811": { "type": "Drug", "properties": { "id": "CID:114811", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID114811", "label": "florfenicol", "FDA_Category_D_L1000_Similarity": -1.37119, "FDA_Category_D_Structural_Similarity": -0.75741, "FDA_Category_D_Weighted_Contribution": -1.21231, "FDA_Category_D_Top_Rank": -0.0962562, "FDA_Category_X_L1000_Similarity": -0.0745888, "FDA_Category_X_Structural_Similarity": -0.655103, "FDA_Category_X_Weighted_Contribution": -0.712516, "FDA_Category_X_Top_Rank": -0.0880704, "FDA_Category_D_and_X_L1000_Similarity": -1.20465, "FDA_Category_D_and_X_Structural_Similarity": -0.954657, "FDA_Category_D_and_X_Weighted_Contribution": -1.23564, "FDA_Category_D_and_X_Top_Rank": -0.0964463, "Placenta_Crossing_L1000_Similarity": -0.459572, "Placenta_Crossing_Structural_Similarity": 4.39357, "Placenta_Crossing_Weighted_Contribution": 3.6046, "Placenta_Crossing_Top_Rank": 0.623644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(Cl)Cl)O", "InChI_key": "AYIRNRDRBQJXIF-NXEZZACHSA-N" } }, "CID:11519070": { "type": "Drug", "properties": { "id": "CID:11519070", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11519070", "label": "umeclidinium", "FDA_Category_D_L1000_Similarity": 2.59577, "FDA_Category_D_Structural_Similarity": 0.198808, "FDA_Category_D_Weighted_Contribution": 1.68391, "FDA_Category_D_Top_Rank": 1.09319, "FDA_Category_X_L1000_Similarity": 2.07312, "FDA_Category_X_Structural_Similarity": -0.603668, "FDA_Category_X_Weighted_Contribution": 0.311842, "FDA_Category_X_Top_Rank": 0.0227334, "FDA_Category_D_and_X_L1000_Similarity": 2.86717, "FDA_Category_D_and_X_Structural_Similarity": -0.167941, "FDA_Category_D_and_X_Weighted_Contribution": 1.32611, "FDA_Category_D_and_X_Top_Rank": 1.26406, "Placenta_Crossing_L1000_Similarity": 2.21237, "Placenta_Crossing_Structural_Similarity": -0.310666, "Placenta_Crossing_Weighted_Contribution": 0.664221, "Placenta_Crossing_Top_Rank": 0.113189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5", "InChI_key": "FVTWTVQXNAJTQP-UHFFFAOYSA-N" } }, "CID:115210": { "type": "Drug", "properties": { "id": "CID:115210", "label": "zk-93426", "lsm": "LSM-3530", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/115210", "FDA_Category_D_L1000_Similarity": -0.803793, "FDA_Category_D_Structural_Similarity": -0.756724, "FDA_Category_D_Weighted_Contribution": -1.03314, "FDA_Category_D_Top_Rank": -0.0959662, "FDA_Category_X_L1000_Similarity": -0.719206, "FDA_Category_X_Structural_Similarity": 1.68819, "FDA_Category_X_Weighted_Contribution": 1.30506, "FDA_Category_X_Top_Rank": 0.00467489, "FDA_Category_D_and_X_L1000_Similarity": -0.9113, "FDA_Category_D_and_X_Structural_Similarity": 0.310316, "FDA_Category_D_and_X_Weighted_Contribution": -0.307014, "FDA_Category_D_and_X_Top_Rank": -0.0791586, "Placenta_Crossing_L1000_Similarity": -0.24732, "Placenta_Crossing_Structural_Similarity": -0.861418, "Placenta_Crossing_Weighted_Contribution": -0.892419, "Placenta_Crossing_Top_Rank": -0.0898189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C", "InChI_key": "VMDUABMKBUKKPG-UHFFFAOYSA-N" } }, "CID:11597537": { "type": "Drug", "properties": { "id": "CID:11597537", "label": "tanzisertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11597537", "FDA_Category_D_L1000_Similarity": 0.960796, "FDA_Category_D_Structural_Similarity": -0.319963, "FDA_Category_D_Weighted_Contribution": 0.115495, "FDA_Category_D_Top_Rank": -0.0675531, "FDA_Category_X_L1000_Similarity": 0.555573, "FDA_Category_X_Structural_Similarity": -0.382705, "FDA_Category_X_Weighted_Contribution": -0.220011, "FDA_Category_X_Top_Rank": -0.0817264, "FDA_Category_D_and_X_L1000_Similarity": 0.996938, "FDA_Category_D_and_X_Structural_Similarity": -0.460466, "FDA_Category_D_and_X_Weighted_Contribution": -0.0444362, "FDA_Category_D_and_X_Top_Rank": -0.0693073, "Placenta_Crossing_L1000_Similarity": 1.32776, "Placenta_Crossing_Structural_Similarity": 0.0176823, "Placenta_Crossing_Weighted_Contribution": 0.538468, "Placenta_Crossing_Top_Rank": -0.0537966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "IBGLGMOPHJQDJB-IHRRRGAJSA-N" } }, "CID:11598628": { "type": "Drug", "properties": { "id": "CID:11598628", "label": "pf-431396", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11598628", "FDA_Category_D_L1000_Similarity": -1.41322, "FDA_Category_D_Structural_Similarity": 2.8573, "FDA_Category_D_Weighted_Contribution": 2.01185, "FDA_Category_D_Top_Rank": 0.189846, "FDA_Category_X_L1000_Similarity": -0.895717, "FDA_Category_X_Structural_Similarity": 1.22518, "FDA_Category_X_Weighted_Contribution": 0.682218, "FDA_Category_X_Top_Rank": -0.0263735, "FDA_Category_D_and_X_L1000_Similarity": -1.49023, "FDA_Category_D_and_X_Structural_Similarity": 2.92898, "FDA_Category_D_and_X_Weighted_Contribution": 2.00884, "FDA_Category_D_and_X_Top_Rank": 0.188421, "Placenta_Crossing_L1000_Similarity": -1.02647, "Placenta_Crossing_Structural_Similarity": -0.0529672, "Placenta_Crossing_Weighted_Contribution": -0.607398, "Placenta_Crossing_Top_Rank": -0.0832892, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C", "InChI_key": "POJZIZBONPAWIV-UHFFFAOYSA-N" } }, "CID:11618368": { "type": "Drug", "properties": { "id": "CID:11618368", "label": "tozadenant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11618368", "FDA_Category_D_L1000_Similarity": -0.100697, "FDA_Category_D_Structural_Similarity": 1.84267, "FDA_Category_D_Weighted_Contribution": 1.75333, "FDA_Category_D_Top_Rank": 0.0236314, "FDA_Category_X_L1000_Similarity": 0.0356605, "FDA_Category_X_Structural_Similarity": -0.34808, "FDA_Category_X_Weighted_Contribution": -0.42065, "FDA_Category_X_Top_Rank": -0.0873437, "FDA_Category_D_and_X_L1000_Similarity": -0.0759738, "FDA_Category_D_and_X_Structural_Similarity": 1.27473, "FDA_Category_D_and_X_Weighted_Contribution": 1.10426, "FDA_Category_D_and_X_Top_Rank": -0.0339476, "Placenta_Crossing_L1000_Similarity": 0.529841, "Placenta_Crossing_Structural_Similarity": 0.0536415, "Placenta_Crossing_Weighted_Contribution": 0.167393, "Placenta_Crossing_Top_Rank": -0.0811253, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCN(CC1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC)O", "InChI_key": "XNBRWUQWSKXMPW-UHFFFAOYSA-N" } }, "CID:11646777": { "type": "Drug", "properties": { "id": "CID:11646777", "label": "ly-2334737", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11646777", "FDA_Category_D_L1000_Similarity": 1.37836, "FDA_Category_D_Structural_Similarity": 2.32758, "FDA_Category_D_Weighted_Contribution": 3.01968, "FDA_Category_D_Top_Rank": 0.108764, "FDA_Category_X_L1000_Similarity": 1.69226, "FDA_Category_X_Structural_Similarity": -0.657701, "FDA_Category_X_Weighted_Contribution": 0.0616621, "FDA_Category_X_Top_Rank": -0.0315496, "FDA_Category_D_and_X_L1000_Similarity": 1.70207, "FDA_Category_D_and_X_Structural_Similarity": 1.49254, "FDA_Category_D_and_X_Weighted_Contribution": 2.35092, "FDA_Category_D_and_X_Top_Rank": 0.0111087, "Placenta_Crossing_L1000_Similarity": 1.3004, "Placenta_Crossing_Structural_Similarity": -0.650804, "Placenta_Crossing_Weighted_Contribution": -0.126526, "Placenta_Crossing_Top_Rank": -0.0555215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F", "InChI_key": "MEOYFIHNRBNEPI-UXIGCNINSA-N" } }, "CID:11655119": { "type": "Drug", "properties": { "id": "CID:11655119", "label": "LY-2109761", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11655119", "FDA_Category_D_L1000_Similarity": 0.90705, "FDA_Category_X_L1000_Similarity": -1.41557, "FDA_Category_D_and_X_L1000_Similarity": 0.352015, "Placenta_Crossing_L1000_Similarity": 0.986112, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11712649": { "type": "Drug", "properties": { "id": "CID:11712649", "label": "mln8054", "lsm": "LSM-1066", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11712649", "FDA_Category_D_L1000_Similarity": 0.508359, "FDA_Category_D_Structural_Similarity": 2.5996, "FDA_Category_D_Weighted_Contribution": 2.82896, "FDA_Category_D_Top_Rank": 0.148726, "FDA_Category_X_L1000_Similarity": 2.23546, "FDA_Category_X_Structural_Similarity": 0.205675, "FDA_Category_X_Weighted_Contribution": 1.30052, "FDA_Category_X_Top_Rank": 0.0591166, "FDA_Category_D_and_X_L1000_Similarity": 1.11709, "FDA_Category_D_and_X_Structural_Similarity": 2.17432, "FDA_Category_D_and_X_Weighted_Contribution": 2.66605, "FDA_Category_D_and_X_Top_Rank": 0.0577926, "Placenta_Crossing_L1000_Similarity": 0.767674, "Placenta_Crossing_Structural_Similarity": 2.16618, "Placenta_Crossing_Weighted_Contribution": 2.47397, "Placenta_Crossing_Top_Rank": 0.0500239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O", "InChI_key": "HHFBDROWDBDFBR-UHFFFAOYSA-N" } }, "CID:11717001": { "type": "Drug", "properties": { "id": "CID:11717001", "label": "gdc-0879", "lsm": "LSM-1182", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11717001", "FDA_Category_D_L1000_Similarity": 1.79053, "FDA_Category_D_Structural_Similarity": 0.0926357, "FDA_Category_D_Weighted_Contribution": 1.05447, "FDA_Category_D_Top_Rank": 0.0693118, "FDA_Category_X_L1000_Similarity": 3.12472, "FDA_Category_X_Structural_Similarity": 0.162568, "FDA_Category_X_Weighted_Contribution": 1.7564, "FDA_Category_X_Top_Rank": 0.805236, "FDA_Category_D_and_X_L1000_Similarity": 2.49239, "FDA_Category_D_and_X_Structural_Similarity": 0.161247, "FDA_Category_D_and_X_Weighted_Contribution": 1.4532, "FDA_Category_D_and_X_Top_Rank": 0.47114, "Placenta_Crossing_L1000_Similarity": 2.16324, "Placenta_Crossing_Structural_Similarity": 0.671018, "Placenta_Crossing_Weighted_Contribution": 1.69018, "Placenta_Crossing_Top_Rank": 0.0943705, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=NO)C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO", "InChI_key": "DEZZLWQELQORIU-RELWKKBWSA-N" } }, "CID:11719003": { "type": "Drug", "properties": { "id": "CID:11719003", "label": "ulixertinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11719003", "FDA_Category_D_L1000_Similarity": -1.01928, "FDA_Category_D_Structural_Similarity": -0.812587, "FDA_Category_D_Weighted_Contribution": -1.1346, "FDA_Category_D_Top_Rank": -0.0963173, "FDA_Category_X_L1000_Similarity": -1.63894, "FDA_Category_X_Structural_Similarity": -0.714473, "FDA_Category_X_Weighted_Contribution": -1.24593, "FDA_Category_X_Top_Rank": -0.0919385, "FDA_Category_D_and_X_L1000_Similarity": -1.37635, "FDA_Category_D_and_X_Structural_Similarity": -1.03049, "FDA_Category_D_and_X_Weighted_Contribution": -1.31242, "FDA_Category_D_and_X_Top_Rank": -0.0965814, "Placenta_Crossing_L1000_Similarity": -1.58789, "Placenta_Crossing_Structural_Similarity": -0.29641, "Placenta_Crossing_Weighted_Contribution": -0.963498, "Placenta_Crossing_Top_Rank": -0.0874333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)Cl", "InChI_key": "KSERXGMCDHOLSS-LJQANCHMSA-N" } }, "CID:119032": { "type": "Drug", "properties": { "id": "CID:119032", "label": "nitroaspirin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119032", "FDA_Category_D_L1000_Similarity": -1.28284, "FDA_Category_D_Structural_Similarity": -0.560722, "FDA_Category_D_Weighted_Contribution": -1.08132, "FDA_Category_D_Top_Rank": -0.0947018, "FDA_Category_X_L1000_Similarity": -1.36384, "FDA_Category_X_Structural_Similarity": 1.71006, "FDA_Category_X_Weighted_Contribution": 0.96281, "FDA_Category_X_Top_Rank": 0.00625391, "FDA_Category_D_and_X_L1000_Similarity": -1.52, "FDA_Category_D_and_X_Structural_Similarity": 0.477689, "FDA_Category_D_and_X_Weighted_Contribution": -0.449224, "FDA_Category_D_and_X_Top_Rank": -0.0745617, "Placenta_Crossing_L1000_Similarity": -2.48444, "Placenta_Crossing_Structural_Similarity": 0.493474, "Placenta_Crossing_Weighted_Contribution": -0.746524, "Placenta_Crossing_Top_Rank": -0.0697067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]", "InChI_key": "IOJUJUOXKXMJNF-UHFFFAOYSA-N" } }, "CID:119034": { "type": "Drug", "properties": { "id": "CID:119034", "label": "asiatic acid", "lsm": "LSM-1768", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119034", "FDA_Category_D_L1000_Similarity": 0.660835, "FDA_Category_D_Structural_Similarity": -0.822908, "FDA_Category_D_Weighted_Contribution": -0.487448, "FDA_Category_D_Top_Rank": -0.0808744, "FDA_Category_X_L1000_Similarity": 0.24366, "FDA_Category_X_Structural_Similarity": -0.375552, "FDA_Category_X_Weighted_Contribution": -0.354084, "FDA_Category_X_Top_Rank": -0.0855233, "FDA_Category_D_and_X_L1000_Similarity": 0.643639, "FDA_Category_D_and_X_Structural_Similarity": -0.855799, "FDA_Category_D_and_X_Weighted_Contribution": -0.543154, "FDA_Category_D_and_X_Top_Rank": -0.0825658, "Placenta_Crossing_L1000_Similarity": 0.200696, "Placenta_Crossing_Structural_Similarity": -0.4662, "Placenta_Crossing_Weighted_Contribution": -0.445059, "Placenta_Crossing_Top_Rank": -0.0866108, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O", "InChI_key": "JXSVIVRDWWRQRT-UYDOISQJSA-N" } }, "CID:119192": { "type": "Drug", "properties": { "id": "CID:119192", "label": "meclinertant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119192", "FDA_Category_D_L1000_Similarity": 0.236464, "FDA_Category_D_Structural_Similarity": 0.264999, "FDA_Category_D_Weighted_Contribution": 0.274331, "FDA_Category_D_Top_Rank": -0.0781756, "FDA_Category_X_L1000_Similarity": 0.94131, "FDA_Category_X_Structural_Similarity": -0.637951, "FDA_Category_X_Weighted_Contribution": -0.276766, "FDA_Category_X_Top_Rank": -0.0732386, "FDA_Category_D_and_X_L1000_Similarity": 0.4897, "FDA_Category_D_and_X_Structural_Similarity": -0.133902, "FDA_Category_D_and_X_Weighted_Contribution": -0.00561036, "FDA_Category_D_and_X_Top_Rank": -0.0858107, "Placenta_Crossing_L1000_Similarity": -0.00724019, "Placenta_Crossing_Structural_Similarity": -0.41369, "Placenta_Crossing_Weighted_Contribution": -0.487279, "Placenta_Crossing_Top_Rank": -0.0884107, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O", "InChI_key": "DYLJVOXRWLXDIG-UHFFFAOYSA-N" } }, "CID:11949652": { "type": "Drug", "properties": { "id": "CID:11949652", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11949652", "label": "teneligliptin", "FDA_Category_D_L1000_Similarity": 0.613135, "FDA_Category_D_Structural_Similarity": -0.272744, "FDA_Category_D_Weighted_Contribution": -0.0335845, "FDA_Category_D_Top_Rank": -0.0822654, "FDA_Category_X_L1000_Similarity": 0.538799, "FDA_Category_X_Structural_Similarity": -0.165132, "FDA_Category_X_Weighted_Contribution": -0.0217024, "FDA_Category_X_Top_Rank": -0.0819423, "FDA_Category_D_and_X_L1000_Similarity": 0.692157, "FDA_Category_D_and_X_Structural_Similarity": -0.305585, "FDA_Category_D_and_X_Weighted_Contribution": -0.0590134, "FDA_Category_D_and_X_Top_Rank": -0.081441, "Placenta_Crossing_L1000_Similarity": 1.48072, "Placenta_Crossing_Structural_Similarity": -0.642687, "Placenta_Crossing_Weighted_Contribution": -0.035602, "Placenta_Crossing_Top_Rank": -0.0416861, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5", "InChI_key": "WGRQANOPCQRCME-PMACEKPBSA-N" } }, "CID:11955716": { "type": "Drug", "properties": { "id": "CID:11955716", "label": "onalespib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11955716", "FDA_Category_D_L1000_Similarity": -2.08856, "FDA_Category_D_Structural_Similarity": -0.0271024, "FDA_Category_D_Weighted_Contribution": -1.04628, "FDA_Category_D_Top_Rank": -0.085741, "FDA_Category_X_L1000_Similarity": -0.645777, "FDA_Category_X_Structural_Similarity": -0.446568, "FDA_Category_X_Weighted_Contribution": -0.769858, "FDA_Category_X_Top_Rank": -0.0889994, "FDA_Category_D_and_X_L1000_Similarity": -1.99649, "FDA_Category_D_and_X_Structural_Similarity": -0.262478, "FDA_Category_D_and_X_Weighted_Contribution": -1.11262, "FDA_Category_D_and_X_Top_Rank": -0.0911699, "Placenta_Crossing_L1000_Similarity": -1.01482, "Placenta_Crossing_Structural_Similarity": 0.541325, "Placenta_Crossing_Weighted_Contribution": -0.11063, "Placenta_Crossing_Top_Rank": -0.0684926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C", "InChI_key": "IFRGXKKQHBVPCQ-UHFFFAOYSA-N" } }, "CID:119584": { "type": "Drug", "properties": { "id": "CID:119584", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID119584", "label": "mosapride", "FDA_Category_D_L1000_Similarity": 1.11536, "FDA_Category_D_Structural_Similarity": -0.0211172, "FDA_Category_D_Weighted_Contribution": 0.508454, "FDA_Category_D_Top_Rank": -0.0568968, "FDA_Category_X_L1000_Similarity": -0.942015, "FDA_Category_X_Structural_Similarity": -0.535375, "FDA_Category_X_Weighted_Contribution": -0.934911, "FDA_Category_X_Top_Rank": -0.0902886, "FDA_Category_D_and_X_L1000_Similarity": 0.675381, "FDA_Category_D_and_X_Structural_Similarity": -0.305647, "FDA_Category_D_and_X_Weighted_Contribution": -0.0676262, "FDA_Category_D_and_X_Top_Rank": -0.081777, "Placenta_Crossing_L1000_Similarity": 0.197331, "Placenta_Crossing_Structural_Similarity": 0.708603, "Placenta_Crossing_Weighted_Contribution": 0.661093, "Placenta_Crossing_Top_Rank": -0.0628193, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N", "InChI_key": "YPELFRMCRYSPKZ-UHFFFAOYSA-N" } }, "CID:119607": { "type": "Drug", "properties": { "id": "CID:119607", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119607", "label": "valdecoxib", "ref": "LSM-5305", "FDA_Category_D_L1000_Similarity": -0.121601, "FDA_Category_D_Structural_Similarity": -0.73709, "FDA_Category_D_Weighted_Contribution": -0.765828, "FDA_Category_D_Top_Rank": -0.0931795, "FDA_Category_X_L1000_Similarity": 0.450343, "FDA_Category_X_Structural_Similarity": 0.371801, "FDA_Category_X_Weighted_Contribution": 0.485743, "FDA_Category_X_Top_Rank": -0.0670121, "FDA_Category_D_and_X_L1000_Similarity": 0.0319361, "FDA_Category_D_and_X_Structural_Similarity": -0.384416, "FDA_Category_D_and_X_Weighted_Contribution": -0.44297, "FDA_Category_D_and_X_Top_Rank": -0.0919219, "Placenta_Crossing_L1000_Similarity": 0.524859, "Placenta_Crossing_Structural_Similarity": -0.364772, "Placenta_Crossing_Weighted_Contribution": -0.221859, "Placenta_Crossing_Top_Rank": -0.0825118, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N", "InChI_key": "LNPDTQAFDNKSHK-UHFFFAOYSA-N" } }, "CID:11978790": { "type": "Drug", "properties": { "id": "CID:11978790", "label": "BGT-226", "lsm": "LSM-6710", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11978790", "FDA_Category_D_L1000_Similarity": -2.31509, "FDA_Category_D_Structural_Similarity": 0.466217, "FDA_Category_D_Weighted_Contribution": -0.821368, "FDA_Category_D_Top_Rank": -0.0721754, "FDA_Category_X_L1000_Similarity": -3.13321, "FDA_Category_X_Structural_Similarity": -0.215157, "FDA_Category_X_Weighted_Contribution": -1.36718, "FDA_Category_X_Top_Rank": -0.0848587, "FDA_Category_D_and_X_L1000_Similarity": -2.94715, "FDA_Category_D_and_X_Structural_Similarity": 0.253945, "FDA_Category_D_and_X_Weighted_Contribution": -1.12125, "FDA_Category_D_and_X_Top_Rank": -0.0805172, "Placenta_Crossing_L1000_Similarity": -2.49974, "Placenta_Crossing_Structural_Similarity": -0.226323, "Placenta_Crossing_Weighted_Contribution": -1.17989, "Placenta_Crossing_Top_Rank": -0.0863385, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11984561": { "type": "Drug", "properties": { "id": "CID:11984561", "label": "evofosfamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11984561", "FDA_Category_D_L1000_Similarity": 0.0660693, "FDA_Category_D_Structural_Similarity": 0.420063, "FDA_Category_D_Weighted_Contribution": 0.330119, "FDA_Category_D_Top_Rank": -0.0738039, "FDA_Category_X_L1000_Similarity": -0.744848, "FDA_Category_X_Structural_Similarity": -0.211432, "FDA_Category_X_Weighted_Contribution": -0.629261, "FDA_Category_X_Top_Rank": -0.0848078, "FDA_Category_D_and_X_L1000_Similarity": -0.169241, "FDA_Category_D_and_X_Structural_Similarity": 0.219322, "FDA_Category_D_and_X_Weighted_Contribution": -0.0205155, "FDA_Category_D_and_X_Top_Rank": -0.0812607, "Placenta_Crossing_L1000_Similarity": -1.0317, "Placenta_Crossing_Structural_Similarity": 1.05641, "Placenta_Crossing_Weighted_Contribution": 0.376374, "Placenta_Crossing_Top_Rank": -0.0475784, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr", "InChI_key": "UGJWRPJDTDGERK-UHFFFAOYSA-N" } }, "CID:12001014": { "type": "Drug", "properties": { "id": "CID:12001014", "label": "mirodenafil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12001014", "IDG_ID": "5005", "FDA_Category_D_L1000_Similarity": 1.52298, "FDA_Category_D_Structural_Similarity": 0.732951, "FDA_Category_D_Weighted_Contribution": 1.5825, "FDA_Category_D_Top_Rank": -0.00343777, "FDA_Category_X_L1000_Similarity": 1.27847, "FDA_Category_X_Structural_Similarity": -0.13223, "FDA_Category_X_Weighted_Contribution": 0.389753, "FDA_Category_X_Top_Rank": -0.0604582, "FDA_Category_D_and_X_L1000_Similarity": 1.70109, "FDA_Category_D_and_X_Structural_Similarity": 0.510402, "FDA_Category_D_and_X_Weighted_Contribution": 1.35248, "FDA_Category_D_and_X_Top_Rank": 0.0102081, "Placenta_Crossing_L1000_Similarity": 0.756356, "Placenta_Crossing_Structural_Similarity": -0.110294, "Placenta_Crossing_Weighted_Contribution": 0.119998, "Placenta_Crossing_Top_Rank": -0.0774759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=CN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC", "InChI_key": "MIJFNYMSCFYZNY-UHFFFAOYSA-N" } }, "CID:1201549": { "type": "Drug", "properties": { "id": "CID:1201549", "label": "benzatropine", "lsm": "LSM-5012", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1201549", "IDG_ID": "333", "FDA_Category_D_L1000_Similarity": 1.04229, "FDA_Category_D_Structural_Similarity": 2.01748, "FDA_Category_D_Weighted_Contribution": 2.59417, "FDA_Category_D_Top_Rank": 0.0491858, "FDA_Category_X_L1000_Similarity": 0.201116, "FDA_Category_X_Structural_Similarity": -0.334519, "FDA_Category_X_Weighted_Contribution": -0.336662, "FDA_Category_X_Top_Rank": -0.0859293, "FDA_Category_D_and_X_L1000_Similarity": 0.959538, "FDA_Category_D_and_X_Structural_Similarity": 1.4208, "FDA_Category_D_and_X_Weighted_Contribution": 1.87216, "FDA_Category_D_and_X_Top_Rank": -0.0222859, "Placenta_Crossing_L1000_Similarity": 0.560142, "Placenta_Crossing_Structural_Similarity": -0.471992, "Placenta_Crossing_Weighted_Contribution": -0.298913, "Placenta_Crossing_Top_Rank": -0.0818977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "GIJXKZJWITVLHI-PMOLBWCYSA-N" } }, "CID:121928": { "type": "Drug", "properties": { "id": "CID:121928", "label": "amiprilose", "lsm": "LSM-5296", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/121928", "FDA_Category_D_L1000_Similarity": 1.09378, "FDA_Category_D_Structural_Similarity": -0.125022, "FDA_Category_D_Weighted_Contribution": 0.387947, "FDA_Category_D_Top_Rank": -0.0588232, "FDA_Category_X_L1000_Similarity": 1.17603, "FDA_Category_X_Structural_Similarity": -0.610588, "FDA_Category_X_Weighted_Contribution": -0.143063, "FDA_Category_X_Top_Rank": -0.0654135, "FDA_Category_D_and_X_L1000_Similarity": 1.3, "FDA_Category_D_and_X_Structural_Similarity": -0.428702, "FDA_Category_D_and_X_Weighted_Contribution": 0.144568, "FDA_Category_D_and_X_Top_Rank": -0.0470798, "Placenta_Crossing_L1000_Similarity": 0.501711, "Placenta_Crossing_Structural_Similarity": -0.537967, "Placenta_Crossing_Weighted_Contribution": -0.379091, "Placenta_Crossing_Top_Rank": -0.0829213, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:122162": { "type": "Drug", "properties": { "id": "CID:122162", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID122162", "label": "luzindole", "FDA_Category_D_L1000_Similarity": 1.74298, "FDA_Category_D_Structural_Similarity": -0.852345, "FDA_Category_D_Weighted_Contribution": 0.0439162, "FDA_Category_D_Top_Rank": 0.0546257, "FDA_Category_X_L1000_Similarity": 0.301553, "FDA_Category_X_Structural_Similarity": -0.589034, "FDA_Category_X_Weighted_Contribution": -0.511568, "FDA_Category_X_Top_Rank": -0.0849265, "FDA_Category_D_and_X_L1000_Similarity": 1.59405, "FDA_Category_D_and_X_Structural_Similarity": -0.994358, "FDA_Category_D_and_X_Weighted_Contribution": -0.221865, "FDA_Category_D_and_X_Top_Rank": -0.00782194, "Placenta_Crossing_L1000_Similarity": 1.52382, "Placenta_Crossing_Structural_Similarity": -0.99126, "Placenta_Crossing_Weighted_Contribution": -0.324654, "Placenta_Crossing_Top_Rank": -0.0375542, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3", "InChI_key": "WVVXBPKOIZGVNS-UHFFFAOYSA-N" } }, "CID:122718": { "type": "Drug", "properties": { "id": "CID:122718", "label": "usnic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122718", "FDA_Category_D_L1000_Similarity": 0.938681, "FDA_Category_D_Structural_Similarity": -0.435749, "FDA_Category_D_Weighted_Contribution": -0.00765214, "FDA_Category_D_Top_Rank": -0.0692533, "FDA_Category_X_L1000_Similarity": 1.39378, "FDA_Category_X_Structural_Similarity": -0.466091, "FDA_Category_X_Weighted_Contribution": 0.10392, "FDA_Category_X_Top_Rank": -0.053759, "FDA_Category_D_and_X_L1000_Similarity": 1.23242, "FDA_Category_D_and_X_Structural_Similarity": -0.597361, "FDA_Category_D_and_X_Weighted_Contribution": -0.0489092, "FDA_Category_D_and_X_Top_Rank": -0.0526319, "Placenta_Crossing_L1000_Similarity": 0.593253, "Placenta_Crossing_Structural_Similarity": -0.710823, "Placenta_Crossing_Weighted_Contribution": -0.481347, "Placenta_Crossing_Top_Rank": -0.0811472, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:123879": { "type": "Drug", "properties": { "id": "CID:123879", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123879", "label": "ramatroban", "FDA_Category_D_L1000_Similarity": 0.0125678, "FDA_Category_D_Structural_Similarity": -0.720321, "FDA_Category_D_Weighted_Contribution": -0.698247, "FDA_Category_D_Top_Rank": -0.0920822, "FDA_Category_X_L1000_Similarity": 0.748696, "FDA_Category_X_Structural_Similarity": 1.83667, "FDA_Category_X_Weighted_Contribution": 2.284, "FDA_Category_X_Top_Rank": 0.0190838, "FDA_Category_D_and_X_L1000_Similarity": 0.238202, "FDA_Category_D_and_X_Structural_Similarity": 0.419329, "FDA_Category_D_and_X_Weighted_Contribution": 0.393215, "FDA_Category_D_and_X_Top_Rank": -0.0763244, "Placenta_Crossing_L1000_Similarity": 0.513572, "Placenta_Crossing_Structural_Similarity": -0.302051, "Placenta_Crossing_Weighted_Contribution": -0.171628, "Placenta_Crossing_Top_Rank": -0.0827215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O", "InChI_key": "LDXDSHIEDAPSSA-OAHLLOKOSA-N" } }, "CID:12540": { "type": "Drug", "properties": { "id": "CID:12540", "label": "triphenyl-tin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12540", "FDA_Category_D_L1000_Similarity": -1.12941, "FDA_Category_D_Structural_Similarity": -0.963697, "FDA_Category_D_Weighted_Contribution": -1.24391, "FDA_Category_D_Top_Rank": -0.0964513, "FDA_Category_X_L1000_Similarity": -0.15483, "FDA_Category_X_Structural_Similarity": -0.74007, "FDA_Category_X_Weighted_Contribution": -0.80447, "FDA_Category_X_Top_Rank": -0.08853, "FDA_Category_D_and_X_L1000_Similarity": -1.02059, "FDA_Category_D_and_X_Structural_Similarity": -1.16424, "FDA_Category_D_and_X_Weighted_Contribution": -1.2839, "FDA_Category_D_and_X_Top_Rank": -0.0962504, "Placenta_Crossing_L1000_Similarity": -1.63542, "Placenta_Crossing_Structural_Similarity": -0.696253, "Placenta_Crossing_Weighted_Contribution": -1.19555, "Placenta_Crossing_Top_Rank": -0.0912275, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1261822": { "type": "Drug", "properties": { "id": "CID:1261822", "label": "ML-193", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1261822", "FDA_Category_D_L1000_Similarity": -0.120061, "FDA_Category_D_Structural_Similarity": 0.407932, "FDA_Category_D_Weighted_Contribution": 0.208655, "FDA_Category_D_Top_Rank": -0.0741736, "FDA_Category_X_L1000_Similarity": 0.915132, "FDA_Category_X_Structural_Similarity": -0.0857508, "FDA_Category_X_Weighted_Contribution": 0.247682, "FDA_Category_X_Top_Rank": -0.0740037, "FDA_Category_D_and_X_L1000_Similarity": 0.174417, "FDA_Category_D_and_X_Structural_Similarity": 0.277511, "FDA_Category_D_and_X_Weighted_Contribution": 0.21731, "FDA_Category_D_and_X_Top_Rank": -0.0799835, "Placenta_Crossing_L1000_Similarity": 0.181181, "Placenta_Crossing_Structural_Similarity": 0.338923, "Placenta_Crossing_Weighted_Contribution": 0.273924, "Placenta_Crossing_Top_Rank": -0.0741097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:12810432": { "type": "Drug", "properties": { "id": "CID:12810432", "label": "cefotiam", "lsm": "LSM-2022", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12810432", "FDA_Category_D_L1000_Similarity": 1.04419, "FDA_Category_D_Structural_Similarity": 0.0984865, "FDA_Category_D_Weighted_Contribution": 0.59019, "FDA_Category_D_Top_Rank": -0.0626924, "FDA_Category_X_L1000_Similarity": 0.251212, "FDA_Category_X_Structural_Similarity": -0.428524, "FDA_Category_X_Weighted_Contribution": -0.397017, "FDA_Category_X_Top_Rank": -0.0854226, "FDA_Category_D_and_X_L1000_Similarity": 0.976401, "FDA_Category_D_and_X_Structural_Similarity": -0.15306, "FDA_Category_D_and_X_Weighted_Contribution": 0.235848, "FDA_Category_D_and_X_Top_Rank": -0.0704375, "Placenta_Crossing_L1000_Similarity": 1.36792, "Placenta_Crossing_Structural_Similarity": 2.2388, "Placenta_Crossing_Weighted_Contribution": 2.80191, "Placenta_Crossing_Top_Rank": 0.056825, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:1282817": { "type": "Drug", "properties": { "id": "CID:1282817", "label": "kuc104240n", "lsm": "LSM-3803", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1282817", "FDA_Category_D_L1000_Similarity": -0.592235, "FDA_Category_D_Structural_Similarity": -0.64001, "FDA_Category_D_Weighted_Contribution": -0.885568, "FDA_Category_D_Top_Rank": -0.0953946, "FDA_Category_X_L1000_Similarity": 0.521344, "FDA_Category_X_Structural_Similarity": -0.448777, "FDA_Category_X_Weighted_Contribution": -0.295664, "FDA_Category_X_Top_Rank": -0.0822215, "FDA_Category_D_and_X_L1000_Similarity": -0.352193, "FDA_Category_D_and_X_Structural_Similarity": -0.750143, "FDA_Category_D_and_X_Weighted_Contribution": -0.860185, "FDA_Category_D_and_X_Top_Rank": -0.0944655, "Placenta_Crossing_L1000_Similarity": -0.157654, "Placenta_Crossing_Structural_Similarity": 2.62835, "Placenta_Crossing_Weighted_Contribution": 2.46731, "Placenta_Crossing_Top_Rank": 0.111549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)Br)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4", "InChI_key": "DUDMBDIWEXXQRP-UHFFFAOYSA-N" } }, "CID:129010025": { "type": "Drug", "properties": { "id": "CID:129010025", "label": "azithromycin", "lsm": "LSM-5821", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010025", "FDA_Category_D_L1000_Similarity": -0.0640282, "FDA_Category_D_Structural_Similarity": 2.72036, "FDA_Category_D_Weighted_Contribution": 2.64366, "FDA_Category_D_Top_Rank": 0.167735, "FDA_Category_X_L1000_Similarity": 1.56112, "FDA_Category_X_Structural_Similarity": 0.100767, "FDA_Category_X_Weighted_Contribution": 0.798985, "FDA_Category_X_Top_Rank": -0.0428321, "FDA_Category_D_and_X_L1000_Similarity": 0.41889, "FDA_Category_D_and_X_Structural_Similarity": 2.21356, "FDA_Category_D_and_X_Weighted_Contribution": 2.35251, "FDA_Category_D_and_X_Top_Rank": 0.0643573, "Placenta_Crossing_L1000_Similarity": 1.8946, "Placenta_Crossing_Structural_Similarity": 0.899139, "Placenta_Crossing_Weighted_Contribution": 1.7868, "Placenta_Crossing_Top_Rank": 0.0193864, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129010068": { "type": "Drug", "properties": { "id": "CID:129010068", "label": "limonin", "lsm": "LSM-2105", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010068", "FDA_Category_D_L1000_Similarity": 1.21839, "FDA_Category_D_Structural_Similarity": 0.954239, "FDA_Category_D_Weighted_Contribution": 1.62887, "FDA_Category_D_Top_Rank": -0.0471085, "FDA_Category_X_L1000_Similarity": -0.303198, "FDA_Category_X_Structural_Similarity": 3.57972, "FDA_Category_X_Weighted_Contribution": 3.37154, "FDA_Category_X_Top_Rank": 0.381613, "FDA_Category_D_and_X_L1000_Similarity": 0.958203, "FDA_Category_D_and_X_Structural_Similarity": 2.689, "FDA_Category_D_and_X_Weighted_Contribution": 3.00241, "FDA_Category_D_and_X_Top_Rank": 0.134223, "Placenta_Crossing_L1000_Similarity": 1.10122, "Placenta_Crossing_Structural_Similarity": 1.20831, "Placenta_Crossing_Weighted_Contribution": 1.68862, "Placenta_Crossing_Top_Rank": -0.0392128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129010074": { "type": "Drug", "properties": { "id": "CID:129010074", "label": "batimastat", "lsm": "LSM-6276", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010074", "FDA_Category_D_L1000_Similarity": 0.91943, "FDA_Category_D_Structural_Similarity": 1.15885, "FDA_Category_D_Weighted_Contribution": 1.6607, "FDA_Category_D_Top_Rank": -0.0425581, "FDA_Category_X_L1000_Similarity": 0.273251, "FDA_Category_X_Structural_Similarity": -0.0563497, "FDA_Category_X_Weighted_Contribution": -0.0451205, "FDA_Category_X_Top_Rank": -0.081079, "FDA_Category_D_and_X_L1000_Similarity": 0.87554, "FDA_Category_D_and_X_Structural_Similarity": 0.889392, "FDA_Category_D_and_X_Weighted_Contribution": 1.26284, "FDA_Category_D_and_X_Top_Rank": -0.058807, "Placenta_Crossing_L1000_Similarity": 1.84813, "Placenta_Crossing_Structural_Similarity": 0.99326, "Placenta_Crossing_Weighted_Contribution": 1.86032, "Placenta_Crossing_Top_Rank": 0.00826399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13025387": { "type": "Drug", "properties": { "id": "CID:13025387", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID13025387", "label": "Ticarcillin", "FDA_Category_D_L1000_Similarity": -0.605161, "FDA_Category_D_Structural_Similarity": -0.562469, "FDA_Category_D_Weighted_Contribution": -0.839687, "FDA_Category_D_Top_Rank": -0.0947166, "FDA_Category_X_L1000_Similarity": 0.0628461, "FDA_Category_X_Structural_Similarity": -0.649925, "FDA_Category_X_Weighted_Contribution": -0.65602, "FDA_Category_X_Top_Rank": -0.087125, "FDA_Category_D_and_X_L1000_Similarity": -0.502576, "FDA_Category_D_and_X_Structural_Similarity": -0.797136, "FDA_Category_D_and_X_Weighted_Contribution": -0.94175, "FDA_Category_D_and_X_Top_Rank": -0.0950782, "Placenta_Crossing_L1000_Similarity": 0.00572826, "Placenta_Crossing_Structural_Similarity": 1.95149, "Placenta_Crossing_Weighted_Contribution": 1.88472, "Placenta_Crossing_Top_Rank": 0.0264383, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:130313": { "type": "Drug", "properties": { "id": "CID:130313", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID130313", "label": "sulbactam", "FDA_Category_D_L1000_Similarity": 0.657003, "FDA_Category_D_Structural_Similarity": -0.208773, "FDA_Category_D_Weighted_Contribution": 0.0512168, "FDA_Category_D_Top_Rank": -0.0809945, "FDA_Category_X_L1000_Similarity": 2.15527, "FDA_Category_X_Structural_Similarity": -0.750181, "FDA_Category_X_Weighted_Contribution": 0.202442, "FDA_Category_X_Top_Rank": 0.0420694, "FDA_Category_D_and_X_L1000_Similarity": 1.22087, "FDA_Category_D_and_X_Structural_Similarity": -0.570501, "FDA_Category_D_and_X_Weighted_Contribution": -0.0302391, "FDA_Category_D_and_X_Top_Rank": -0.0534161, "Placenta_Crossing_L1000_Similarity": 1.78035, "Placenta_Crossing_Structural_Similarity": -0.0849331, "Placenta_Crossing_Weighted_Contribution": 0.671131, "Placenta_Crossing_Top_Rank": -0.00366217, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C", "InChI_key": "FKENQMMABCRJMK-RITPCOANSA-N" } }, "CID:131536": { "type": "Drug", "properties": { "id": "CID:131536", "label": "fosamprenavir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/131536", "FDA_Category_D_L1000_Similarity": -1.78793, "FDA_Category_D_Structural_Similarity": -0.284516, "FDA_Category_D_Weighted_Contribution": -1.0922, "FDA_Category_D_Top_Rank": -0.0911333, "FDA_Category_X_L1000_Similarity": -0.23753, "FDA_Category_X_Structural_Similarity": -0.323962, "FDA_Category_X_Weighted_Contribution": -0.515443, "FDA_Category_X_Top_Rank": -0.0869354, "FDA_Category_D_and_X_L1000_Similarity": -1.61335, "FDA_Category_D_and_X_Structural_Similarity": -0.400633, "FDA_Category_D_and_X_Weighted_Contribution": -1.0716, "FDA_Category_D_and_X_Top_Rank": -0.092959, "Placenta_Crossing_L1000_Similarity": -0.553734, "Placenta_Crossing_Structural_Similarity": -0.398966, "Placenta_Crossing_Weighted_Contribution": -0.685135, "Placenta_Crossing_Top_Rank": -0.0887083, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N", "InChI_key": "MLBVMOWEQCZNCC-OEMFJLHTSA-N" } }, "CID:132059": { "type": "Drug", "properties": { "id": "CID:132059", "label": "l-694247", "lsm": "LSM-2416", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132059", "FDA_Category_D_L1000_Similarity": 0.235939, "FDA_Category_D_Structural_Similarity": 1.38493, "FDA_Category_D_Weighted_Contribution": 1.47209, "FDA_Category_D_Top_Rank": -0.0277725, "FDA_Category_X_L1000_Similarity": 0.519147, "FDA_Category_X_Structural_Similarity": 0.374477, "FDA_Category_X_Weighted_Contribution": 0.525884, "FDA_Category_X_Top_Rank": -0.0668343, "FDA_Category_D_and_X_L1000_Similarity": 0.361047, "FDA_Category_D_and_X_Structural_Similarity": 1.3013, "FDA_Category_D_and_X_Weighted_Contribution": 1.3949, "FDA_Category_D_and_X_Top_Rank": -0.0315383, "Placenta_Crossing_L1000_Similarity": 0.853659, "Placenta_Crossing_Structural_Similarity": 1.17635, "Placenta_Crossing_Weighted_Contribution": 1.52087, "Placenta_Crossing_Top_Rank": -0.0407833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)NC1=CC=C(C=C1)CC2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN", "InChI_key": "HKXMQLISPYELRD-UHFFFAOYSA-N" } }, "CID:132519": { "type": "Drug", "properties": { "id": "CID:132519", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID132519", "label": "gm6001", "FDA_Category_D_L1000_Similarity": 0.927566, "FDA_Category_D_Structural_Similarity": 1.32115, "FDA_Category_D_Weighted_Contribution": 1.83894, "FDA_Category_D_Top_Rank": -0.0329315, "FDA_Category_X_L1000_Similarity": -1.27, "FDA_Category_X_Structural_Similarity": 0.174411, "FDA_Category_X_Weighted_Contribution": -0.53049, "FDA_Category_X_Top_Rank": -0.0741615, "FDA_Category_D_and_X_L1000_Similarity": 0.413904, "FDA_Category_D_and_X_Structural_Similarity": 1.14273, "FDA_Category_D_and_X_Weighted_Contribution": 1.25701, "FDA_Category_D_and_X_Top_Rank": -0.0430448, "Placenta_Crossing_L1000_Similarity": 1.63334, "Placenta_Crossing_Structural_Similarity": 0.944655, "Placenta_Crossing_Weighted_Contribution": 1.69527, "Placenta_Crossing_Top_Rank": -0.0250544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC", "InChI_key": "NITYDPDXAAFEIT-DYVFJYSZSA-N" } }, "CID:132862": { "type": "Drug", "properties": { "id": "CID:132862", "label": "tilarginine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132862", "FDA_Category_D_L1000_Similarity": 0.602146, "FDA_Category_D_Structural_Similarity": -0.476886, "FDA_Category_D_Weighted_Contribution": -0.225121, "FDA_Category_D_Top_Rank": -0.0825717, "FDA_Category_X_L1000_Similarity": 1.18446, "FDA_Category_X_Structural_Similarity": -0.484794, "FDA_Category_X_Weighted_Contribution": -0.0183551, "FDA_Category_X_Top_Rank": -0.0649174, "FDA_Category_D_and_X_L1000_Similarity": 0.878756, "FDA_Category_D_and_X_Structural_Similarity": -0.640104, "FDA_Category_D_and_X_Weighted_Contribution": -0.262064, "FDA_Category_D_and_X_Top_Rank": -0.0749519, "Placenta_Crossing_L1000_Similarity": 1.49438, "Placenta_Crossing_Structural_Similarity": -0.483334, "Placenta_Crossing_Weighted_Contribution": 0.121311, "Placenta_Crossing_Top_Rank": -0.040414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN=C(N)NCCCC(C(=O)O)N", "InChI_key": "NTNWOCRCBQPEKQ-YFKPBYRVSA-N" } }, "CID:132971": { "type": "Drug", "properties": { "id": "CID:132971", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID132971", "label": "abiraterone", "FDA_Category_D_L1000_Similarity": -0.0285834, "FDA_Category_D_Structural_Similarity": -0.869279, "FDA_Category_D_Weighted_Contribution": -0.819045, "FDA_Category_D_Top_Rank": -0.0924362, "FDA_Category_X_L1000_Similarity": -0.00534939, "FDA_Category_X_Structural_Similarity": 3.62386, "FDA_Category_X_Weighted_Contribution": 3.50588, "FDA_Category_X_Top_Rank": 0.403815, "FDA_Category_D_and_X_L1000_Similarity": -0.0262622, "FDA_Category_D_and_X_Structural_Similarity": 1.26546, "FDA_Category_D_and_X_Weighted_Contribution": 1.12417, "FDA_Category_D_and_X_Top_Rank": -0.0345248, "Placenta_Crossing_L1000_Similarity": 0.627182, "Placenta_Crossing_Structural_Similarity": -0.818601, "Placenta_Crossing_Weighted_Contribution": -0.551935, "Placenta_Crossing_Top_Rank": -0.0804496, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O", "InChI_key": "GZOSMCIZMLWJML-VJLLXTKPSA-N" } }, "CID:133008": { "type": "Drug", "properties": { "id": "CID:133008", "label": "l-741742", "lsm": "LSM-2276", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133008", "FDA_Category_D_L1000_Similarity": 0.322701, "FDA_Category_D_Structural_Similarity": -0.658002, "FDA_Category_D_Weighted_Contribution": -0.513759, "FDA_Category_D_Top_Rank": -0.0884715, "FDA_Category_X_L1000_Similarity": 2.27786, "FDA_Category_X_Structural_Similarity": 2.23945, "FDA_Category_X_Weighted_Contribution": 3.33597, "FDA_Category_X_Top_Rank": 0.0724534, "FDA_Category_D_and_X_L1000_Similarity": 0.969921, "FDA_Category_D_and_X_Structural_Similarity": 0.686136, "FDA_Category_D_and_X_Weighted_Contribution": 1.10179, "FDA_Category_D_and_X_Top_Rank": -0.0677304, "Placenta_Crossing_L1000_Similarity": 0.544593, "Placenta_Crossing_Structural_Similarity": 0.187019, "Placenta_Crossing_Weighted_Contribution": 0.306261, "Placenta_Crossing_Top_Rank": -0.0781367, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(ON=C1C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl", "InChI_key": "QDMAKDIDFJTXEL-UHFFFAOYSA-N" } }, "CID:133017": { "type": "Drug", "properties": { "id": "CID:133017", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID133017", "label": "rupatadine", "FDA_Category_D_L1000_Similarity": -0.239545, "FDA_Category_D_Structural_Similarity": -0.829239, "FDA_Category_D_Weighted_Contribution": -0.874349, "FDA_Category_D_Top_Rank": -0.0939084, "FDA_Category_X_L1000_Similarity": -0.884367, "FDA_Category_X_Structural_Similarity": -0.632752, "FDA_Category_X_Weighted_Contribution": -0.979624, "FDA_Category_X_Top_Rank": -0.0910666, "FDA_Category_D_and_X_L1000_Similarity": -0.475053, "FDA_Category_D_and_X_Structural_Similarity": -0.999609, "FDA_Category_D_and_X_Weighted_Contribution": -1.05009, "FDA_Category_D_and_X_Top_Rank": -0.0949775, "Placenta_Crossing_L1000_Similarity": -0.178727, "Placenta_Crossing_Structural_Similarity": -0.654134, "Placenta_Crossing_Weighted_Contribution": -0.731132, "Placenta_Crossing_Top_Rank": -0.0894668, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2", "InChI_key": "WUZYKBABMWJHDL-UHFFFAOYSA-N" } }, "CID:135398738": { "type": "Drug", "properties": { "id": "CID:135398738", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135398738", "label": "dacarbazine", "FDA_Category_D_L1000_Similarity": 2.29566, "FDA_Category_D_Structural_Similarity": -0.327176, "FDA_Category_D_Weighted_Contribution": 0.919408, "FDA_Category_D_Top_Rank": 0.471105, "FDA_Category_X_L1000_Similarity": -0.576797, "FDA_Category_X_Structural_Similarity": -0.632389, "FDA_Category_X_Weighted_Contribution": -0.87708, "FDA_Category_X_Top_Rank": -0.0902777, "FDA_Category_D_and_X_L1000_Similarity": 1.80373, "FDA_Category_D_and_X_Structural_Similarity": -0.600919, "FDA_Category_D_and_X_Weighted_Contribution": 0.251436, "FDA_Category_D_and_X_Top_Rank": 0.0328583, "Placenta_Crossing_L1000_Similarity": 1.01428, "Placenta_Crossing_Structural_Similarity": -0.677068, "Placenta_Crossing_Weighted_Contribution": -0.277288, "Placenta_Crossing_Top_Rank": -0.0699467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)N=NC1=C(NC=N1)C(=O)N", "InChI_key": "FDKXTQMXEQVLRF-ZHACJKMWSA-N" } }, "CID:135399748": { "type": "Drug", "properties": { "id": "CID:135399748", "label": "4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135399748", "FDA_Category_D_L1000_Similarity": 0.565651, "FDA_Category_D_Structural_Similarity": -0.0734721, "FDA_Category_D_Weighted_Contribution": 0.130181, "FDA_Category_D_Top_Rank": -0.0835997, "FDA_Category_X_L1000_Similarity": -2.51603, "FDA_Category_X_Structural_Similarity": -0.591106, "FDA_Category_X_Weighted_Contribution": -1.3974, "FDA_Category_X_Top_Rank": -0.090975, "FDA_Category_D_and_X_L1000_Similarity": -0.276464, "FDA_Category_D_and_X_Structural_Similarity": -0.377274, "FDA_Category_D_and_X_Weighted_Contribution": -0.571365, "FDA_Category_D_and_X_Top_Rank": -0.0927179, "Placenta_Crossing_L1000_Similarity": -0.495838, "Placenta_Crossing_Structural_Similarity": -0.381361, "Placenta_Crossing_Weighted_Contribution": -0.651125, "Placenta_Crossing_Top_Rank": -0.0884881, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(C2)NC3=C(C(=O)NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6N5", "InChI_key": "MOVBBVMDHIRCTG-LJQANCHMSA-N" } }, "CID:135413511": { "type": "Drug", "properties": { "id": "CID:135413511", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135413511", "label": "tirapazamine", "FDA_Category_D_L1000_Similarity": -0.204214, "FDA_Category_D_Structural_Similarity": -0.881815, "FDA_Category_D_Weighted_Contribution": -0.894962, "FDA_Category_D_Top_Rank": -0.0937117, "FDA_Category_X_L1000_Similarity": -1.76877, "FDA_Category_X_Structural_Similarity": -0.629668, "FDA_Category_X_Weighted_Contribution": -1.23558, "FDA_Category_X_Top_Rank": -0.0913741, "FDA_Category_D_and_X_L1000_Similarity": -0.713177, "FDA_Category_D_and_X_Structural_Similarity": -1.03968, "FDA_Category_D_and_X_Weighted_Contribution": -1.1426, "FDA_Category_D_and_X_Top_Rank": -0.0957155, "Placenta_Crossing_L1000_Similarity": -0.429284, "Placenta_Crossing_Structural_Similarity": 0.0428424, "Placenta_Crossing_Weighted_Contribution": -0.28792, "Placenta_Crossing_Top_Rank": -0.0813358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]", "InChI_key": "ORYDPOVDJJZGHQ-UHFFFAOYSA-N" } }, "CID:135565181": { "type": "Drug", "properties": { "id": "CID:135565181", "label": "iowh-032", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135565181", "FDA_Category_D_L1000_Similarity": 1.68795, "FDA_Category_D_Structural_Similarity": -0.106694, "FDA_Category_D_Weighted_Contribution": 0.773145, "FDA_Category_D_Top_Rank": 0.0376126, "FDA_Category_X_L1000_Similarity": 1.76641, "FDA_Category_X_Structural_Similarity": -0.215553, "FDA_Category_X_Weighted_Contribution": 0.562975, "FDA_Category_X_Top_Rank": -0.0235218, "FDA_Category_D_and_X_L1000_Similarity": 1.99147, "FDA_Category_D_and_X_Structural_Similarity": -0.200996, "FDA_Category_D_and_X_Weighted_Contribution": 0.767259, "FDA_Category_D_and_X_Top_Rank": 0.0915953, "Placenta_Crossing_L1000_Similarity": 1.54072, "Placenta_Crossing_Structural_Similarity": -0.506951, "Placenta_Crossing_Weighted_Contribution": 0.121206, "Placenta_Crossing_Top_Rank": -0.0354367, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br", "InChI_key": "DSFNLJXHXBIKDS-UHFFFAOYSA-N" } }, "CID:1370": { "type": "Drug", "properties": { "id": "CID:1370", "label": "CX-516", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1370", "FDA_Category_D_L1000_Similarity": -1.06604, "FDA_Category_X_L1000_Similarity": 1.58791, "FDA_Category_D_and_X_L1000_Similarity": -0.436729, "Placenta_Crossing_L1000_Similarity": 0.662443, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13738": { "type": "Drug", "properties": { "id": "CID:13738", "label": "oxolamine", "lsm": "LSM-5538", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13738", "FDA_Category_D_L1000_Similarity": 0.0549309, "FDA_Category_D_Structural_Similarity": -0.465049, "FDA_Category_D_Weighted_Contribution": -0.485008, "FDA_Category_D_Top_Rank": -0.0917108, "FDA_Category_X_L1000_Similarity": -0.143919, "FDA_Category_X_Structural_Similarity": -0.545641, "FDA_Category_X_Weighted_Contribution": -0.655387, "FDA_Category_X_Top_Rank": -0.0884821, "FDA_Category_D_and_X_L1000_Similarity": 0.00364689, "FDA_Category_D_and_X_Structural_Similarity": -0.663541, "FDA_Category_D_and_X_Weighted_Contribution": -0.6663, "FDA_Category_D_and_X_Top_Rank": -0.092156, "Placenta_Crossing_L1000_Similarity": 0.186765, "Placenta_Crossing_Structural_Similarity": -0.637384, "Placenta_Crossing_Weighted_Contribution": -0.584064, "Placenta_Crossing_Top_Rank": -0.0867188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2", "InChI_key": "IDCHQQSVJAAUQQ-UHFFFAOYSA-N" } }, "CID:1383884": { "type": "Drug", "properties": { "id": "CID:1383884", "label": "URB-597", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1383884", "FDA_Category_D_L1000_Similarity": 0.516322, "FDA_Category_D_Structural_Similarity": -0.809542, "FDA_Category_D_Weighted_Contribution": -0.543714, "FDA_Category_D_Top_Rank": -0.0849134, "FDA_Category_X_L1000_Similarity": 0.524657, "FDA_Category_X_Structural_Similarity": -0.707009, "FDA_Category_X_Weighted_Contribution": -0.516801, "FDA_Category_X_Top_Rank": -0.082194, "FDA_Category_D_and_X_L1000_Similarity": 0.604406, "FDA_Category_D_and_X_Structural_Similarity": -1.02404, "FDA_Category_D_and_X_Weighted_Contribution": -0.683238, "FDA_Category_D_and_X_Top_Rank": -0.0833387, "Placenta_Crossing_L1000_Similarity": -0.694933, "Placenta_Crossing_Structural_Similarity": 0.83903, "Placenta_Crossing_Weighted_Contribution": 0.329484, "Placenta_Crossing_Top_Rank": -0.0579775, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13927312": { "type": "Drug", "properties": { "id": "CID:13927312", "label": "ku-c103443n", "lsm": "LSM-1828", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13927312", "FDA_Category_D_L1000_Similarity": -0.663032, "FDA_Category_D_Structural_Similarity": 0.248522, "FDA_Category_D_Weighted_Contribution": -0.238743, "FDA_Category_D_Top_Rank": -0.0785601, "FDA_Category_X_L1000_Similarity": -0.132464, "FDA_Category_X_Structural_Similarity": -0.256966, "FDA_Category_X_Weighted_Contribution": -0.41465, "FDA_Category_X_Top_Rank": -0.0856449, "FDA_Category_D_and_X_L1000_Similarity": -0.611766, "FDA_Category_D_and_X_Structural_Similarity": 0.0585977, "FDA_Category_D_and_X_Weighted_Contribution": -0.37657, "FDA_Category_D_and_X_Top_Rank": -0.0851278, "Placenta_Crossing_L1000_Similarity": -0.934898, "Placenta_Crossing_Structural_Similarity": 3.2112, "Placenta_Crossing_Weighted_Contribution": 2.63614, "Placenta_Crossing_Top_Rank": 0.251014, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Br", "InChI_key": "XGGIHZZGQLXCAR-UHFFFAOYSA-N" } }, "CID:1417813": { "type": "Drug", "properties": { "id": "CID:1417813", "label": "mw-stk33-1a", "lsm": "LSM-4799", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1417813", "FDA_Category_D_L1000_Similarity": 0.356546, "FDA_Category_D_Structural_Similarity": -0.905077, "FDA_Category_D_Weighted_Contribution": -0.686167, "FDA_Category_D_Top_Rank": -0.0878999, "FDA_Category_X_L1000_Similarity": -1.8775, "FDA_Category_X_Structural_Similarity": -0.714204, "FDA_Category_X_Weighted_Contribution": -1.30595, "FDA_Category_X_Top_Rank": -0.0920386, "FDA_Category_D_and_X_L1000_Similarity": -0.262809, "FDA_Category_D_and_X_Structural_Similarity": -1.10375, "FDA_Category_D_and_X_Weighted_Contribution": -1.04183, "FDA_Category_D_and_X_Top_Rank": -0.0940122, "Placenta_Crossing_L1000_Similarity": 0.326677, "Placenta_Crossing_Structural_Similarity": 0.68142, "Placenta_Crossing_Weighted_Contribution": 0.701588, "Placenta_Crossing_Top_Rank": -0.0635937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)O", "InChI_key": "ICKPGBPIOPGQTC-UITAMQMPSA-N" } }, "CID:14182642": { "type": "Drug", "properties": { "id": "CID:14182642", "label": "propanoic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/14182642", "FDA_Category_D_L1000_Similarity": 0.0984459, "FDA_Category_D_Structural_Similarity": 0.740245, "FDA_Category_D_Weighted_Contribution": 0.683419, "FDA_Category_D_Top_Rank": -0.0627209, "FDA_Category_X_L1000_Similarity": 0.857774, "FDA_Category_X_Structural_Similarity": 1.68881, "FDA_Category_X_Weighted_Contribution": 2.18555, "FDA_Category_X_Top_Rank": 0.00486965, "FDA_Category_D_and_X_L1000_Similarity": 0.345354, "FDA_Category_D_and_X_Structural_Similarity": 1.49882, "FDA_Category_D_and_X_Weighted_Contribution": 1.5952, "FDA_Category_D_and_X_Top_Rank": -0.0152474, "Placenta_Crossing_L1000_Similarity": -0.344124, "Placenta_Crossing_Structural_Similarity": 0.73082, "Placenta_Crossing_Weighted_Contribution": 0.39991, "Placenta_Crossing_Top_Rank": -0.0620096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:14520": { "type": "Drug", "properties": { "id": "CID:14520", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID14520", "label": "citiolone", "FDA_Category_D_L1000_Similarity": 0.122824, "FDA_Category_D_Structural_Similarity": -0.668063, "FDA_Category_D_Weighted_Contribution": -0.611965, "FDA_Category_D_Top_Rank": -0.09105, "FDA_Category_X_L1000_Similarity": 0.797512, "FDA_Category_X_Structural_Similarity": 0.488185, "FDA_Category_X_Weighted_Contribution": 0.804914, "FDA_Category_X_Top_Rank": -0.0624721, "FDA_Category_D_and_X_L1000_Similarity": 0.348064, "FDA_Category_D_and_X_Structural_Similarity": -0.266828, "FDA_Category_D_and_X_Weighted_Contribution": -0.196575, "FDA_Category_D_and_X_Top_Rank": -0.0882636, "Placenta_Crossing_L1000_Similarity": 0.847517, "Placenta_Crossing_Structural_Similarity": -1.01981, "Placenta_Crossing_Weighted_Contribution": -0.619429, "Placenta_Crossing_Top_Rank": -0.0750767, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1CCSC1=O", "InChI_key": "NRFJZTXWLKPZAV-UHFFFAOYSA-N" } }, "CID:149784": { "type": "Drug", "properties": { "id": "CID:149784", "label": "ehna", "lsm": "LSM-2600", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/149784", "FDA_Category_D_L1000_Similarity": 0.129975, "FDA_Category_D_Structural_Similarity": 0.0254973, "FDA_Category_D_Weighted_Contribution": -0.0192373, "FDA_Category_D_Top_Rank": -0.0845539, "FDA_Category_X_L1000_Similarity": 0.297868, "FDA_Category_X_Structural_Similarity": -0.453305, "FDA_Category_X_Weighted_Contribution": -0.398258, "FDA_Category_X_Top_Rank": -0.0849687, "FDA_Category_D_and_X_L1000_Similarity": 0.202509, "FDA_Category_D_and_X_Structural_Similarity": -0.224364, "FDA_Category_D_and_X_Weighted_Contribution": -0.230568, "FDA_Category_D_and_X_Top_Rank": -0.090192, "Placenta_Crossing_L1000_Similarity": -0.0500527, "Placenta_Crossing_Structural_Similarity": -0.0341217, "Placenta_Crossing_Weighted_Contribution": -0.187582, "Placenta_Crossing_Top_Rank": -0.0829606, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCC(C(C)O)N1C=NC2=C(N=CN=C21)N", "InChI_key": "IOSAAWHGJUZBOG-MNOVXSKESA-N" } }, "CID:15074": { "type": "Drug", "properties": { "id": "CID:15074", "label": "isonicotinamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15074", "FDA_Category_D_L1000_Similarity": -0.393271, "FDA_Category_D_Structural_Similarity": -0.433606, "FDA_Category_D_Weighted_Contribution": -0.662476, "FDA_Category_D_Top_Rank": -0.093349, "FDA_Category_X_L1000_Similarity": -0.613881, "FDA_Category_X_Structural_Similarity": -0.605525, "FDA_Category_X_Weighted_Contribution": -0.871365, "FDA_Category_X_Top_Rank": -0.0904041, "FDA_Category_D_and_X_L1000_Similarity": -0.525429, "FDA_Category_D_and_X_Structural_Similarity": -0.670898, "FDA_Category_D_and_X_Weighted_Contribution": -0.871555, "FDA_Category_D_and_X_Top_Rank": -0.0951721, "Placenta_Crossing_L1000_Similarity": 0.490097, "Placenta_Crossing_Structural_Similarity": -0.672823, "Placenta_Crossing_Weighted_Contribution": -0.492667, "Placenta_Crossing_Top_Rank": -0.0831458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:151172": { "type": "Drug", "properties": { "id": "CID:151172", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID151172", "label": "cariporide", "FDA_Category_D_L1000_Similarity": 0.481725, "FDA_Category_D_Structural_Similarity": -0.554063, "FDA_Category_D_Weighted_Contribution": -0.352689, "FDA_Category_D_Top_Rank": -0.0856457, "FDA_Category_X_L1000_Similarity": 0.233975, "FDA_Category_X_Structural_Similarity": -0.475069, "FDA_Category_X_Weighted_Contribution": -0.444351, "FDA_Category_X_Top_Rank": -0.0856252, "FDA_Category_D_and_X_L1000_Similarity": 0.48631, "FDA_Category_D_and_X_Structural_Similarity": -0.696112, "FDA_Category_D_and_X_Weighted_Contribution": -0.487957, "FDA_Category_D_and_X_Top_Rank": -0.0858981, "Placenta_Crossing_L1000_Similarity": -0.363445, "Placenta_Crossing_Structural_Similarity": -0.163838, "Placenta_Crossing_Weighted_Contribution": -0.432022, "Placenta_Crossing_Top_Rank": -0.0854091, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C", "InChI_key": "IWXNYAIICFKCTM-UHFFFAOYSA-N" } }, "CID:153241": { "type": "Drug", "properties": { "id": "CID:153241", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID153241", "label": "merimepodib", "FDA_Category_D_L1000_Similarity": 0.904812, "FDA_Category_D_Structural_Similarity": -0.57245, "FDA_Category_D_Weighted_Contribution": -0.152146, "FDA_Category_D_Top_Rank": -0.0713003, "FDA_Category_X_L1000_Similarity": -1.94456, "FDA_Category_X_Structural_Similarity": 0.288068, "FDA_Category_X_Weighted_Contribution": -0.706913, "FDA_Category_X_Top_Rank": -0.0702274, "FDA_Category_D_and_X_L1000_Similarity": 0.189439, "FDA_Category_D_and_X_Structural_Similarity": -0.298921, "FDA_Category_D_and_X_Weighted_Contribution": -0.300447, "FDA_Category_D_and_X_Top_Rank": -0.0903427, "Placenta_Crossing_L1000_Similarity": -1.38468, "Placenta_Crossing_Structural_Similarity": -0.235204, "Placenta_Crossing_Weighted_Contribution": -0.860923, "Placenta_Crossing_Top_Rank": -0.0864904, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)OC3CCOC3)C4=CN=CO4", "InChI_key": "JBPUGFODGPKTDW-SFHVURJKSA-N" } }, "CID:1537": { "type": "Drug", "properties": { "id": "CID:1537", "label": "tioguanine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1537", "IDG_ID": "2632", "FDA_Category_D_L1000_Similarity": -0.401255, "FDA_Category_X_L1000_Similarity": -1.38311, "FDA_Category_D_and_X_L1000_Similarity": -0.765919, "Placenta_Crossing_L1000_Similarity": -1.4927, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC2=C(N1)C(=NC(=N2)N)S", "InChI_key": "WYWHKKSPHMUBEB-UHFFFAOYSA-N" } }, "CID:1544274": { "type": "Drug", "properties": { "id": "CID:1544274", "label": "emf-sumo1-4", "lsm": "LSM-6556", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1544274", "FDA_Category_D_L1000_Similarity": 1.98329, "FDA_Category_D_Structural_Similarity": -0.589661, "FDA_Category_D_Weighted_Contribution": 0.445827, "FDA_Category_D_Top_Rank": 0.185429, "FDA_Category_X_L1000_Similarity": 0.841907, "FDA_Category_X_Structural_Similarity": -0.723027, "FDA_Category_X_Weighted_Contribution": -0.396077, "FDA_Category_X_Top_Rank": -0.0758691, "FDA_Category_D_and_X_L1000_Similarity": 1.96529, "FDA_Category_D_and_X_Structural_Similarity": -0.858164, "FDA_Category_D_and_X_Weighted_Contribution": 0.0906973, "FDA_Category_D_and_X_Top_Rank": 0.0839873, "Placenta_Crossing_L1000_Similarity": 2.37719, "Placenta_Crossing_Structural_Similarity": -0.994442, "Placenta_Crossing_Weighted_Contribution": 0.0608981, "Placenta_Crossing_Top_Rank": 0.202495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC2=CC=CC=C2)N=CC3=C(C(=CC(=C3)Br)Br)O", "InChI_key": "GDLYESHVJHYNEC-UHFFFAOYSA-N" } }, "CID:1548076": { "type": "Drug", "properties": { "id": "CID:1548076", "label": "STK-721917", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1548076", "FDA_Category_D_L1000_Similarity": -0.200244, "FDA_Category_X_L1000_Similarity": 2.94161, "FDA_Category_D_and_X_L1000_Similarity": 0.720715, "Placenta_Crossing_L1000_Similarity": 1.00355, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:15547703": { "type": "Drug", "properties": { "id": "CID:15547703", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15547703", "label": "tosedostat", "FDA_Category_D_L1000_Similarity": -1.5696, "FDA_Category_D_Structural_Similarity": 0.0707687, "FDA_Category_D_Weighted_Contribution": -0.793476, "FDA_Category_D_Top_Rank": -0.0833712, "FDA_Category_X_L1000_Similarity": -1.9222, "FDA_Category_X_Structural_Similarity": -0.565256, "FDA_Category_X_Weighted_Contribution": -1.24205, "FDA_Category_X_Top_Rank": -0.0906617, "FDA_Category_D_and_X_L1000_Similarity": -1.93676, "FDA_Category_D_and_X_Structural_Similarity": -0.24884, "FDA_Category_D_and_X_Weighted_Contribution": -1.08757, "FDA_Category_D_and_X_Top_Rank": -0.0909371, "Placenta_Crossing_L1000_Similarity": -1.58141, "Placenta_Crossing_Structural_Similarity": -0.417362, "Placenta_Crossing_Weighted_Contribution": -1.03253, "Placenta_Crossing_Top_Rank": -0.0888811, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(C(=O)NO)O)C(=O)NC(C1=CC=CC=C1)C(=O)OC2CCCC2", "InChI_key": "FWFGIHPGRQZWIW-SQNIBIBYSA-N" } }, "CID:15548": { "type": "Drug", "properties": { "id": "CID:15548", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15548", "label": "laudanosine", "FDA_Category_D_L1000_Similarity": 0.946202, "FDA_Category_D_Structural_Similarity": -0.17192, "FDA_Category_D_Weighted_Contribution": 0.252983, "FDA_Category_D_Top_Rank": -0.0687668, "FDA_Category_X_L1000_Similarity": -0.790243, "FDA_Category_X_Structural_Similarity": 1.39089, "FDA_Category_X_Weighted_Contribution": 0.926498, "FDA_Category_X_Top_Rank": -0.0152255, "FDA_Category_D_and_X_L1000_Similarity": 0.575666, "FDA_Category_D_and_X_Structural_Similarity": 0.614064, "FDA_Category_D_and_X_Weighted_Contribution": 0.789822, "FDA_Category_D_and_X_Top_Rank": -0.0703261, "Placenta_Crossing_L1000_Similarity": 1.00191, "Placenta_Crossing_Structural_Similarity": -0.274147, "Placenta_Crossing_Weighted_Contribution": 0.0823874, "Placenta_Crossing_Top_Rank": -0.0703427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC", "InChI_key": "KGPAYJZAMGEDIQ-UHFFFAOYSA-N" } }, "CID:155982217": { "type": "Drug", "properties": { "id": "CID:155982217", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID155982217", "label": "Monensin", "FDA_Category_D_L1000_Similarity": -1.77762, "FDA_Category_D_Structural_Similarity": -0.0540046, "FDA_Category_D_Weighted_Contribution": -0.953833, "FDA_Category_D_Top_Rank": -0.0864192, "FDA_Category_X_L1000_Similarity": -0.0865795, "FDA_Category_X_Structural_Similarity": 1.00494, "FDA_Category_X_Weighted_Contribution": 0.888363, "FDA_Category_X_Top_Rank": -0.0406759, "FDA_Category_D_and_X_L1000_Similarity": -1.55863, "FDA_Category_D_and_X_Structural_Similarity": 0.499399, "FDA_Category_D_and_X_Weighted_Contribution": -0.449183, "FDA_Category_D_and_X_Top_Rank": -0.0738671, "Placenta_Crossing_L1000_Similarity": -1.40328, "Placenta_Crossing_Structural_Similarity": -0.078212, "Placenta_Crossing_Weighted_Contribution": -0.762539, "Placenta_Crossing_Top_Rank": -0.0837702, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:156414": { "type": "Drug", "properties": { "id": "CID:156414", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID156414", "label": "canertinib", "FDA_Category_D_L1000_Similarity": -1.77789, "FDA_Category_D_Structural_Similarity": 0.794292, "FDA_Category_D_Weighted_Contribution": -0.331367, "FDA_Category_D_Top_Rank": -0.0607212, "FDA_Category_X_L1000_Similarity": -0.874559, "FDA_Category_X_Structural_Similarity": -0.175863, "FDA_Category_X_Weighted_Contribution": -0.652159, "FDA_Category_X_Top_Rank": -0.0840587, "FDA_Category_D_and_X_L1000_Similarity": -1.79816, "FDA_Category_D_and_X_Structural_Similarity": 0.535546, "FDA_Category_D_and_X_Weighted_Contribution": -0.52589, "FDA_Category_D_and_X_Top_Rank": -0.072807, "Placenta_Crossing_L1000_Similarity": -1.52166, "Placenta_Crossing_Structural_Similarity": 0.136017, "Placenta_Crossing_Weighted_Contribution": -0.653337, "Placenta_Crossing_Top_Rank": -0.0792195, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4", "InChI_key": "OMZCMEYTWSXEPZ-UHFFFAOYSA-N" } }, "CID:160020": { "type": "Drug", "properties": { "id": "CID:160020", "label": "tetrindole", "lsm": "LSM-1624", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/160020", "FDA_Category_D_L1000_Similarity": -1.25557, "FDA_Category_D_Structural_Similarity": -0.381176, "FDA_Category_D_Weighted_Contribution": -0.967007, "FDA_Category_D_Top_Rank": -0.0926776, "FDA_Category_X_L1000_Similarity": 2.39368, "FDA_Category_X_Structural_Similarity": 0.00687639, "FDA_Category_X_Weighted_Contribution": 1.16402, "FDA_Category_X_Top_Rank": 0.112085, "FDA_Category_D_and_X_L1000_Similarity": -0.355409, "FDA_Category_D_and_X_Structural_Similarity": -0.298834, "FDA_Category_D_and_X_Weighted_Contribution": -0.545491, "FDA_Category_D_and_X_Top_Rank": -0.0917112, "Placenta_Crossing_L1000_Similarity": -1.18361, "Placenta_Crossing_Structural_Similarity": 1.37439, "Placenta_Crossing_Weighted_Contribution": 0.624601, "Placenta_Crossing_Top_Rank": -0.0282772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5", "InChI_key": "AUXCHYJDVJZEPG-UHFFFAOYSA-N" } }, "CID:16043": { "type": "Drug", "properties": { "id": "CID:16043", "label": "2-tert-butylbenzene-1,4-diol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16043", "FDA_Category_D_L1000_Similarity": 0.266334, "FDA_Category_D_Structural_Similarity": 0.424848, "FDA_Category_D_Weighted_Contribution": 0.455228, "FDA_Category_D_Top_Rank": -0.073623, "FDA_Category_X_L1000_Similarity": 1.29553, "FDA_Category_X_Structural_Similarity": 0.268269, "FDA_Category_X_Weighted_Contribution": 0.837728, "FDA_Category_X_Top_Rank": -0.0595273, "FDA_Category_D_and_X_L1000_Similarity": 0.623015, "FDA_Category_D_and_X_Structural_Similarity": 0.481964, "FDA_Category_D_and_X_Weighted_Contribution": 0.678987, "FDA_Category_D_and_X_Top_Rank": -0.0744625, "Placenta_Crossing_L1000_Similarity": 0.58136, "Placenta_Crossing_Structural_Similarity": 0.0950837, "Placenta_Crossing_Weighted_Contribution": 0.233533, "Placenta_Crossing_Top_Rank": -0.08018, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=C(C=CC(=C1)O)O", "InChI_key": "BGNXCDMCOKJUMV-UHFFFAOYSA-N" } }, "CID:16112820": { "type": "Drug", "properties": { "id": "CID:16112820", "label": "neurodazine", "lsm": "LSM-5381", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16112820", "FDA_Category_D_L1000_Similarity": 1.79754, "FDA_Category_D_Structural_Similarity": 0.41839, "FDA_Category_D_Weighted_Contribution": 1.4153, "FDA_Category_D_Top_Rank": 0.0735565, "FDA_Category_X_L1000_Similarity": -1.31439, "FDA_Category_X_Structural_Similarity": -0.674594, "FDA_Category_X_Weighted_Contribution": -1.13565, "FDA_Category_X_Top_Rank": -0.0916693, "FDA_Category_D_and_X_L1000_Similarity": 1.15036, "FDA_Category_D_and_X_Structural_Similarity": -0.0319259, "FDA_Category_D_and_X_Weighted_Contribution": 0.453944, "FDA_Category_D_and_X_Top_Rank": -0.0592791, "Placenta_Crossing_L1000_Similarity": 0.655736, "Placenta_Crossing_Structural_Similarity": 0.541888, "Placenta_Crossing_Weighted_Contribution": 0.730557, "Placenta_Crossing_Top_Rank": -0.0684761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(O3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)OC", "InChI_key": "FEEOFPAEDSMOTO-UHFFFAOYSA-N" } }, "CID:16126898": { "type": "Drug", "properties": { "id": "CID:16126898", "label": "vtp-27999", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16126898", "FDA_Category_D_L1000_Similarity": 0.408119, "FDA_Category_D_Structural_Similarity": 2.03062, "FDA_Category_D_Weighted_Contribution": 2.25442, "FDA_Category_D_Top_Rank": 0.052488, "FDA_Category_X_L1000_Similarity": -0.0436634, "FDA_Category_X_Structural_Similarity": -0.431102, "FDA_Category_X_Weighted_Contribution": -0.523792, "FDA_Category_X_Top_Rank": -0.0878921, "FDA_Category_D_and_X_L1000_Similarity": 0.338558, "FDA_Category_D_and_X_Structural_Similarity": 1.37911, "FDA_Category_D_and_X_Weighted_Contribution": 1.46437, "FDA_Category_D_and_X_Top_Rank": -0.0247097, "Placenta_Crossing_L1000_Similarity": 0.00361612, "Placenta_Crossing_Structural_Similarity": -0.320894, "Placenta_Crossing_Weighted_Contribution": -0.408335, "Placenta_Crossing_Top_Rank": -0.0877996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC", "InChI_key": "NXWASIVXQMMPLM-ZXMXYHOLSA-N" } }, "CID:161930": { "type": "Drug", "properties": { "id": "CID:161930", "label": "icilin", "lsm": "LSM-3071", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/161930", "FDA_Category_D_L1000_Similarity": 0.619755, "FDA_Category_D_Structural_Similarity": -0.555668, "FDA_Category_D_Weighted_Contribution": -0.284975, "FDA_Category_D_Top_Rank": -0.0820277, "FDA_Category_X_L1000_Similarity": 1.21184, "FDA_Category_X_Structural_Similarity": 1.104, "FDA_Category_X_Weighted_Contribution": 1.73871, "FDA_Category_X_Top_Rank": -0.0358146, "FDA_Category_D_and_X_L1000_Similarity": 0.902256, "FDA_Category_D_and_X_Structural_Similarity": 0.154674, "FDA_Category_D_and_X_Weighted_Contribution": 0.502387, "FDA_Category_D_and_X_Top_Rank": -0.073941, "Placenta_Crossing_L1000_Similarity": 0.857448, "Placenta_Crossing_Structural_Similarity": -0.303412, "Placenta_Crossing_Weighted_Contribution": -0.0141904, "Placenta_Crossing_Top_Rank": -0.0747425, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-]", "InChI_key": "RCEFMOGVOYEGJN-UHFFFAOYSA-N" } }, "CID:16220051": { "type": "Drug", "properties": { "id": "CID:16220051", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16220051", "label": "tunicamycin", "FDA_Category_D_L1000_Similarity": -1.17585, "FDA_Category_D_Structural_Similarity": 0.729824, "FDA_Category_D_Weighted_Contribution": -0.0754679, "FDA_Category_D_Top_Rank": -0.0630033, "FDA_Category_X_L1000_Similarity": -3.46074, "FDA_Category_X_Structural_Similarity": 6.71829, "FDA_Category_X_Weighted_Contribution": 4.17612, "FDA_Category_X_Top_Rank": 1.98634, "FDA_Category_D_and_X_L1000_Similarity": -2.06457, "FDA_Category_D_and_X_Structural_Similarity": 4.20443, "FDA_Category_D_and_X_Weighted_Contribution": 2.86686, "FDA_Category_D_and_X_Top_Rank": 0.794118, "Placenta_Crossing_L1000_Similarity": -2.43451, "Placenta_Crossing_Structural_Similarity": 0.829644, "Placenta_Crossing_Weighted_Contribution": -0.47781, "Placenta_Crossing_Top_Rank": -0.0583941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CCCCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O", "InChI_key": "YJQCOFNZVFGCAF-WPTOCQRYSA-N" } }, "CID:16654980": { "type": "Drug", "properties": { "id": "CID:16654980", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16654980", "label": "buparlisib", "FDA_Category_D_L1000_Similarity": -2.3411, "FDA_Category_X_L1000_Similarity": -1.36907, "FDA_Category_D_and_X_L1000_Similarity": -2.43384, "Placenta_Crossing_L1000_Similarity": -1.98129, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4", "InChI_key": "CWHUFRVAEUJCEF-UHFFFAOYSA-N" } }, "CID:16667717": { "type": "Drug", "properties": { "id": "CID:16667717", "label": "alclometasone", "lsm": "LSM-5106", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16667717", "FDA_Category_D_L1000_Similarity": 0.62391, "FDA_Category_D_Structural_Similarity": -0.433436, "FDA_Category_D_Weighted_Contribution": -0.175092, "FDA_Category_D_Top_Rank": -0.0819733, "FDA_Category_X_L1000_Similarity": 0.667983, "FDA_Category_X_Structural_Similarity": 0.318189, "FDA_Category_X_Weighted_Contribution": 0.545642, "FDA_Category_X_Top_Rank": -0.069028, "FDA_Category_D_and_X_L1000_Similarity": 0.740684, "FDA_Category_D_and_X_Structural_Similarity": -0.17233, "FDA_Category_D_and_X_Weighted_Contribution": 0.0900907, "FDA_Category_D_and_X_Top_Rank": -0.0799278, "Placenta_Crossing_L1000_Similarity": 1.25508, "Placenta_Crossing_Structural_Similarity": -0.368608, "Placenta_Crossing_Weighted_Contribution": 0.114897, "Placenta_Crossing_Top_Rank": -0.0585991, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3C2C(CC4=CC(=O)C=CC34C)Cl)O)C)C)OC(=O)CC", "InChI_key": "DJHCCTTVDRAMEH-PEDQINGESA-N" } }, "CID:16734800": { "type": "Drug", "properties": { "id": "CID:16734800", "label": "LXR-623", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16734800", "FDA_Category_D_L1000_Similarity": 0.0635981, "FDA_Category_D_Structural_Similarity": 0.948872, "FDA_Category_D_Weighted_Contribution": 0.88577, "FDA_Category_D_Top_Rank": -0.0529361, "FDA_Category_X_L1000_Similarity": 1.03923, "FDA_Category_X_Structural_Similarity": 0.483395, "FDA_Category_X_Weighted_Contribution": 0.93551, "FDA_Category_X_Top_Rank": -0.0627488, "FDA_Category_D_and_X_L1000_Similarity": 0.370411, "FDA_Category_D_and_X_Structural_Similarity": 1.01397, "FDA_Category_D_and_X_Weighted_Contribution": 1.09298, "FDA_Category_D_and_X_Top_Rank": -0.0524987, "Placenta_Crossing_L1000_Similarity": -0.560425, "Placenta_Crossing_Structural_Similarity": 2.24004, "Placenta_Crossing_Weighted_Contribution": 1.88611, "Placenta_Crossing_Top_Rank": 0.0572709, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16760034": { "type": "Drug", "properties": { "id": "CID:16760034", "label": "bongkrek-acid", "lsm": "LSM-1530", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760034", "FDA_Category_D_L1000_Similarity": 0.675543, "FDA_Category_D_Structural_Similarity": -0.132953, "FDA_Category_D_Weighted_Contribution": 0.134928, "FDA_Category_D_Top_Rank": -0.0804524, "FDA_Category_X_L1000_Similarity": -2.61342, "FDA_Category_X_Structural_Similarity": 0.833729, "FDA_Category_X_Weighted_Contribution": -0.541079, "FDA_Category_X_Top_Rank": -0.048651, "FDA_Category_D_and_X_L1000_Similarity": -0.21132, "FDA_Category_D_and_X_Structural_Similarity": 0.34435, "FDA_Category_D_and_X_Weighted_Contribution": 0.074041, "FDA_Category_D_and_X_Top_Rank": -0.0784633, "Placenta_Crossing_L1000_Similarity": 0.679099, "Placenta_Crossing_Structural_Similarity": 0.727759, "Placenta_Crossing_Weighted_Contribution": 0.941575, "Placenta_Crossing_Top_Rank": -0.0620826, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O", "InChI_key": "SHCXABJSXUACKU-IPUKGTGASA-N" } }, "CID:16760044": { "type": "Drug", "properties": { "id": "CID:16760044", "label": "latrunculin-b", "lsm": "LSM-4352", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760044", "FDA_Category_D_L1000_Similarity": -3.43158, "FDA_Category_D_Structural_Similarity": -0.798905, "FDA_Category_D_Weighted_Contribution": -1.66668, "FDA_Category_D_Top_Rank": -0.0964884, "FDA_Category_X_L1000_Similarity": -0.198826, "FDA_Category_X_Structural_Similarity": 1.13703, "FDA_Category_X_Weighted_Contribution": 0.974071, "FDA_Category_X_Top_Rank": -0.0337528, "FDA_Category_D_and_X_L1000_Similarity": -3.01846, "FDA_Category_D_and_X_Structural_Similarity": -0.0205626, "FDA_Category_D_and_X_Weighted_Contribution": -1.27336, "FDA_Category_D_and_X_Top_Rank": -0.0867542, "Placenta_Crossing_L1000_Similarity": -2.51257, "Placenta_Crossing_Structural_Similarity": 0.610471, "Placenta_Crossing_Weighted_Contribution": -0.673832, "Placenta_Crossing_Top_Rank": -0.0663805, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=C1)C", "InChI_key": "NSHPHXHGRHSMIK-IWZLBRJHSA-N" } }, "CID:168182": { "type": "Drug", "properties": { "id": "CID:168182", "label": "valyltryptophan", "lsm": "LSM-3021", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/168182", "FDA_Category_D_L1000_Similarity": 0.567454, "FDA_Category_D_Structural_Similarity": -0.826543, "FDA_Category_D_Weighted_Contribution": -0.5336, "FDA_Category_D_Top_Rank": -0.0835398, "FDA_Category_X_L1000_Similarity": -1.28484, "FDA_Category_X_Structural_Similarity": -0.379606, "FDA_Category_X_Weighted_Contribution": -0.945328, "FDA_Category_X_Top_Rank": -0.0878752, "FDA_Category_D_and_X_L1000_Similarity": 0.0989689, "FDA_Category_D_and_X_Structural_Similarity": -0.860872, "FDA_Category_D_and_X_Weighted_Contribution": -0.766615, "FDA_Category_D_and_X_Top_Rank": -0.0913346, "Placenta_Crossing_L1000_Similarity": -0.0763981, "Placenta_Crossing_Structural_Similarity": -0.753224, "Placenta_Crossing_Weighted_Contribution": -0.763827, "Placenta_Crossing_Top_Rank": -0.0888264, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N", "InChI_key": "LZDNBBYBDGBADK-KBPBESRZSA-N" } }, "CID:17534": { "type": "Drug", "properties": { "id": "CID:17534", "label": "6-aminochrysene", "lsm": "LSM-4506", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17534", "FDA_Category_D_L1000_Similarity": 0.463358, "FDA_Category_X_L1000_Similarity": -0.122207, "FDA_Category_D_and_X_L1000_Similarity": 0.362312, "Placenta_Crossing_L1000_Similarity": 0.369726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N", "InChI_key": "KIVUHCNVDWYUNP-UHFFFAOYSA-N" } }, "CID:17756791": { "type": "Drug", "properties": { "id": "CID:17756791", "label": "ro-08-2750", "lsm": "LSM-1983", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17756791", "FDA_Category_D_L1000_Similarity": -0.278547, "FDA_Category_D_Structural_Similarity": 2.44112, "FDA_Category_D_Weighted_Contribution": 2.26271, "FDA_Category_D_Top_Rank": 0.123839, "FDA_Category_X_L1000_Similarity": 0.306999, "FDA_Category_X_Structural_Similarity": -0.621947, "FDA_Category_X_Weighted_Contribution": -0.536406, "FDA_Category_X_Top_Rank": -0.0848714, "FDA_Category_D_and_X_L1000_Similarity": -0.146887, "FDA_Category_D_and_X_Structural_Similarity": 1.60195, "FDA_Category_D_and_X_Weighted_Contribution": 1.41188, "FDA_Category_D_and_X_Top_Rank": -0.00572385, "Placenta_Crossing_L1000_Similarity": 0.350126, "Placenta_Crossing_Structural_Similarity": 0.0125321, "Placenta_Crossing_Weighted_Contribution": 0.0406847, "Placenta_Crossing_Top_Rank": -0.0820801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1C=O)N(C3=NC(=O)NC(=O)C3=N2)C", "InChI_key": "JDEMVNYMYPJJIM-UHFFFAOYSA-N" } }, "CID:178": { "type": "Drug", "properties": { "id": "CID:178", "label": "acetamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/178", "FDA_Category_D_L1000_Similarity": 1.63214, "FDA_Category_D_Structural_Similarity": 1.60109, "FDA_Category_D_Weighted_Contribution": 2.52924, "FDA_Category_D_Top_Rank": 0.0225219, "FDA_Category_X_L1000_Similarity": 0.56013, "FDA_Category_X_Structural_Similarity": -0.183921, "FDA_Category_X_Weighted_Contribution": -0.0296042, "FDA_Category_X_Top_Rank": -0.0816482, "FDA_Category_D_and_X_L1000_Similarity": 1.57703, "FDA_Category_D_and_X_Structural_Similarity": 1.17157, "FDA_Category_D_and_X_Weighted_Contribution": 1.97064, "FDA_Category_D_and_X_Top_Rank": -0.0108788, "Placenta_Crossing_L1000_Similarity": 1.57239, "Placenta_Crossing_Structural_Similarity": 0.236777, "Placenta_Crossing_Weighted_Contribution": 0.900995, "Placenta_Crossing_Top_Rank": -0.0317236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N", "InChI_key": "DLFVBJFMPXGRIB-UHFFFAOYSA-N" } }, "CID:188244": { "type": "Drug", "properties": { "id": "CID:188244", "label": "allantoxanamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/188244", "FDA_Category_D_L1000_Similarity": 0.547833, "FDA_Category_D_Structural_Similarity": -0.474303, "FDA_Category_D_Weighted_Contribution": -0.250815, "FDA_Category_D_Top_Rank": -0.0840159, "FDA_Category_X_L1000_Similarity": -0.527173, "FDA_Category_X_Structural_Similarity": -0.552491, "FDA_Category_X_Weighted_Contribution": -0.803569, "FDA_Category_X_Top_Rank": -0.0901198, "FDA_Category_D_and_X_L1000_Similarity": 0.312134, "FDA_Category_D_and_X_Structural_Similarity": -0.674582, "FDA_Category_D_and_X_Weighted_Contribution": -0.546668, "FDA_Category_D_and_X_Top_Rank": -0.0887652, "Placenta_Crossing_L1000_Similarity": 0.753115, "Placenta_Crossing_Structural_Similarity": -0.426313, "Placenta_Crossing_Weighted_Contribution": -0.174062, "Placenta_Crossing_Top_Rank": -0.0775798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:188914": { "type": "Drug", "properties": { "id": "CID:188914", "label": "bd-1047", "lsm": "LSM-2810", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/188914", "FDA_Category_D_L1000_Similarity": 0.528582, "FDA_Category_D_Structural_Similarity": 0.327804, "FDA_Category_D_Weighted_Contribution": 0.513998, "FDA_Category_D_Top_Rank": -0.0764353, "FDA_Category_X_L1000_Similarity": 1.939, "FDA_Category_X_Structural_Similarity": -0.0680444, "FDA_Category_X_Weighted_Contribution": 0.821679, "FDA_Category_X_Top_Rank": 0.00110984, "FDA_Category_D_and_X_L1000_Similarity": 1.04448, "FDA_Category_D_and_X_Structural_Similarity": 0.223466, "FDA_Category_D_and_X_Weighted_Contribution": 0.655786, "FDA_Category_D_and_X_Top_Rank": -0.0662836, "Placenta_Crossing_L1000_Similarity": 0.780707, "Placenta_Crossing_Structural_Similarity": -0.299442, "Placenta_Crossing_Weighted_Contribution": -0.0465676, "Placenta_Crossing_Top_Rank": -0.0768644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl", "InChI_key": "MGVRNMUKTZOQOW-UHFFFAOYSA-N" } }, "CID:1935": { "type": "Drug", "properties": { "id": "CID:1935", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1935", "label": "tacrine", "ref": "LSM-5871", "FDA_Category_D_L1000_Similarity": 1.47475, "FDA_Category_D_Structural_Similarity": -0.781804, "FDA_Category_D_Weighted_Contribution": -0.0378047, "FDA_Category_D_Top_Rank": -0.0146514, "FDA_Category_X_L1000_Similarity": -0.193661, "FDA_Category_X_Structural_Similarity": -0.70487, "FDA_Category_X_Weighted_Contribution": -0.793133, "FDA_Category_X_Top_Rank": -0.0887652, "FDA_Category_D_and_X_L1000_Similarity": 1.21243, "FDA_Category_D_and_X_Structural_Similarity": -1.00087, "FDA_Category_D_and_X_Weighted_Contribution": -0.406596, "FDA_Category_D_and_X_Top_Rank": -0.0539676, "Placenta_Crossing_L1000_Similarity": 0.893339, "Placenta_Crossing_Structural_Similarity": -0.414259, "Placenta_Crossing_Weighted_Contribution": -0.0993511, "Placenta_Crossing_Top_Rank": -0.0738248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2=NC3=CC=CC=C3C(=C2C1)N", "InChI_key": "YLJREFDVOIBQDA-UHFFFAOYSA-N" } }, "CID:19667": { "type": "Drug", "properties": { "id": "CID:19667", "label": "bephenium", "lsm": "LSM-5589", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19667", "FDA_Category_D_L1000_Similarity": -0.741165, "FDA_Category_D_Structural_Similarity": -0.518092, "FDA_Category_D_Weighted_Contribution": -0.862979, "FDA_Category_D_Top_Rank": -0.0942985, "FDA_Category_X_L1000_Similarity": 0.150412, "FDA_Category_X_Structural_Similarity": -0.386141, "FDA_Category_X_Weighted_Contribution": -0.403984, "FDA_Category_X_Top_Rank": -0.0864286, "FDA_Category_D_and_X_L1000_Similarity": -0.59322, "FDA_Category_D_and_X_Structural_Similarity": -0.619577, "FDA_Category_D_and_X_Weighted_Contribution": -0.863086, "FDA_Category_D_and_X_Top_Rank": -0.0949285, "Placenta_Crossing_L1000_Similarity": -0.270043, "Placenta_Crossing_Structural_Similarity": 0.679797, "Placenta_Crossing_Weighted_Contribution": 0.386275, "Placenta_Crossing_Top_Rank": -0.0636604, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2", "InChI_key": "AVWWVJUMXRXPNF-UHFFFAOYSA-N" } }, "CID:2019": { "type": "Drug", "properties": { "id": "CID:2019", "label": "actinomycin-d", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2019", "FDA_Category_D_L1000_Similarity": 0.34453, "FDA_Category_D_Structural_Similarity": 1.26566, "FDA_Category_D_Weighted_Contribution": 1.41139, "FDA_Category_D_Top_Rank": -0.0364375, "FDA_Category_X_L1000_Similarity": -2.20039, "FDA_Category_X_Structural_Similarity": 0.784434, "FDA_Category_X_Weighted_Contribution": -0.408969, "FDA_Category_X_Top_Rank": -0.0504245, "FDA_Category_D_and_X_L1000_Similarity": -0.371229, "FDA_Category_D_and_X_Structural_Similarity": 1.42785, "FDA_Category_D_and_X_Weighted_Contribution": 1.09099, "FDA_Category_D_and_X_Top_Rank": -0.0220581, "Placenta_Crossing_L1000_Similarity": -1.04456, "Placenta_Crossing_Structural_Similarity": 1.27517, "Placenta_Crossing_Weighted_Contribution": 0.594623, "Placenta_Crossing_Top_Rank": -0.0345478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:20299": { "type": "Drug", "properties": { "id": "CID:20299", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID20299", "label": "tridihexethyl", "FDA_Category_D_L1000_Similarity": 0.0210978, "FDA_Category_D_Structural_Similarity": -0.522246, "FDA_Category_D_Weighted_Contribution": -0.545818, "FDA_Category_D_Top_Rank": -0.0920116, "FDA_Category_X_L1000_Similarity": 0.153952, "FDA_Category_X_Structural_Similarity": -0.512771, "FDA_Category_X_Weighted_Contribution": -0.50958, "FDA_Category_X_Top_Rank": -0.086404, "FDA_Category_D_and_X_L1000_Similarity": 0.0649349, "FDA_Category_D_and_X_Structural_Similarity": -0.691202, "FDA_Category_D_and_X_Weighted_Contribution": -0.661494, "FDA_Category_D_and_X_Top_Rank": -0.0916211, "Placenta_Crossing_L1000_Similarity": 0.572648, "Placenta_Crossing_Structural_Similarity": -0.842876, "Placenta_Crossing_Weighted_Contribution": -0.591402, "Placenta_Crossing_Top_Rank": -0.0816241, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O", "InChI_key": "NPRHVSBSZMAEIN-UHFFFAOYSA-N" } }, "CID:20507134": { "type": "Drug", "properties": { "id": "CID:20507134", "label": "isoxicam", "lsm": "LSM-1791", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20507134", "FDA_Category_D_L1000_Similarity": 0.959943, "FDA_Category_D_Structural_Similarity": 2.27969, "FDA_Category_D_Weighted_Contribution": 2.78219, "FDA_Category_D_Top_Rank": 0.0997788, "FDA_Category_X_L1000_Similarity": 0.264655, "FDA_Category_X_Structural_Similarity": -0.336168, "FDA_Category_X_Weighted_Contribution": -0.309851, "FDA_Category_X_Top_Rank": -0.0852729, "FDA_Category_D_and_X_L1000_Similarity": 0.907859, "FDA_Category_D_and_X_Structural_Similarity": 1.62802, "FDA_Category_D_and_X_Weighted_Contribution": 2.05211, "FDA_Category_D_and_X_Top_Rank": -0.00301112, "Placenta_Crossing_L1000_Similarity": 0.909655, "Placenta_Crossing_Structural_Similarity": -0.387039, "Placenta_Crossing_Weighted_Contribution": -0.0669595, "Placenta_Crossing_Top_Rank": -0.0733961, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C", "InChI_key": "SPTMROWPYQRZSX-UHFFFAOYSA-N" } }, "CID:20635522": { "type": "Drug", "properties": { "id": "CID:20635522", "label": "kin001-127", "lsm": "LSM-1043", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20635522", "FDA_Category_D_L1000_Similarity": -1.14436, "FDA_Category_D_Structural_Similarity": -0.727646, "FDA_Category_D_Weighted_Contribution": -1.12834, "FDA_Category_D_Top_Rank": -0.0960545, "FDA_Category_X_L1000_Similarity": 2.41352, "FDA_Category_X_Structural_Similarity": -0.618984, "FDA_Category_X_Weighted_Contribution": 0.476685, "FDA_Category_X_Top_Rank": 0.120554, "FDA_Category_D_and_X_L1000_Similarity": -0.253524, "FDA_Category_D_and_X_Structural_Similarity": -0.911544, "FDA_Category_D_and_X_Weighted_Contribution": -0.92645, "FDA_Category_D_and_X_Top_Rank": -0.0939507, "Placenta_Crossing_L1000_Similarity": -0.452263, "Placenta_Crossing_Structural_Similarity": -0.0247123, "Placenta_Crossing_Weighted_Contribution": -0.354782, "Placenta_Crossing_Top_Rank": -0.0827842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)C)C(=O)N4CCN(CC4)C(=O)C)OC", "InChI_key": "RRHONYZEMUNMJX-UHFFFAOYSA-N" } }, "CID:208901": { "type": "Drug", "properties": { "id": "CID:208901", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID208901", "label": "tesaglitazar", "FDA_Category_D_L1000_Similarity": 0.858819, "FDA_Category_D_Structural_Similarity": 0.528813, "FDA_Category_D_Weighted_Contribution": 0.935258, "FDA_Category_D_Top_Rank": -0.0700153, "FDA_Category_X_L1000_Similarity": 0.561882, "FDA_Category_X_Structural_Similarity": -0.732549, "FDA_Category_X_Weighted_Contribution": -0.522499, "FDA_Category_X_Top_Rank": -0.0815989, "FDA_Category_D_and_X_L1000_Similarity": 0.910949, "FDA_Category_D_and_X_Structural_Similarity": 0.0244452, "FDA_Category_D_and_X_Weighted_Contribution": 0.375367, "FDA_Category_D_and_X_Top_Rank": -0.0735978, "Placenta_Crossing_L1000_Similarity": 1.56398, "Placenta_Crossing_Structural_Similarity": -0.229543, "Placenta_Crossing_Weighted_Contribution": 0.407664, "Placenta_Crossing_Top_Rank": -0.0327719, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O", "InChI_key": "CXGTZJYQWSUFET-IBGZPJMESA-N" } }, "CID:208953": { "type": "Drug", "properties": { "id": "CID:208953", "label": "fanapanel", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/208953", "FDA_Category_D_L1000_Similarity": -0.34445, "FDA_Category_D_Structural_Similarity": -0.36483, "FDA_Category_D_Weighted_Contribution": -0.589494, "FDA_Category_D_Top_Rank": -0.0924162, "FDA_Category_X_L1000_Similarity": 0.414335, "FDA_Category_X_Structural_Similarity": -0.64417, "FDA_Category_X_Weighted_Contribution": -0.510493, "FDA_Category_X_Top_Rank": -0.0835943, "FDA_Category_D_and_X_L1000_Similarity": -0.17109, "FDA_Category_D_and_X_Structural_Similarity": -0.637162, "FDA_Category_D_and_X_Weighted_Contribution": -0.716904, "FDA_Category_D_and_X_Top_Rank": -0.0934637, "Placenta_Crossing_L1000_Similarity": 1.01575, "Placenta_Crossing_Structural_Similarity": -0.109751, "Placenta_Crossing_Weighted_Contribution": 0.248862, "Placenta_Crossing_Top_Rank": -0.069902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O", "InChI_key": "WZMQMKNCWDCCMT-UHFFFAOYSA-N" } }, "CID:21100": { "type": "Drug", "properties": { "id": "CID:21100", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID21100", "label": "metanephrine", "FDA_Category_D_L1000_Similarity": 0.105752, "FDA_Category_D_Structural_Similarity": -0.67813, "FDA_Category_D_Weighted_Contribution": -0.627056, "FDA_Category_D_Top_Rank": -0.0912402, "FDA_Category_X_L1000_Similarity": 0.268812, "FDA_Category_X_Structural_Similarity": -0.350982, "FDA_Category_X_Weighted_Contribution": -0.321207, "FDA_Category_X_Top_Rank": -0.0852491, "FDA_Category_D_and_X_L1000_Similarity": 0.172797, "FDA_Category_D_and_X_Structural_Similarity": -0.72763, "FDA_Category_D_and_X_Weighted_Contribution": -0.644141, "FDA_Category_D_and_X_Top_Rank": -0.0905635, "Placenta_Crossing_L1000_Similarity": 0.317482, "Placenta_Crossing_Structural_Similarity": 2.54765, "Placenta_Crossing_Weighted_Contribution": 2.61144, "Placenta_Crossing_Top_Rank": 0.0950587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCC(C1=CC(=C(C=C1)O)OC)O", "InChI_key": "JWJCTZKFYGDABJ-UHFFFAOYSA-N" } }, "CID:2118": { "type": "Drug", "properties": { "id": "CID:2118", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2118", "label": "alprazolam", "ref": "LSM-5460", "FDA_Category_D_L1000_Similarity": -1.34263, "FDA_Category_D_Structural_Similarity": 0.878696, "FDA_Category_D_Weighted_Contribution": -0.0278068, "FDA_Category_D_Top_Rank": -0.0570082, "FDA_Category_X_L1000_Similarity": -2.86333, "FDA_Category_X_Structural_Similarity": 0.115913, "FDA_Category_X_Weighted_Contribution": -1.1268, "FDA_Category_X_Top_Rank": -0.07655, "FDA_Category_D_and_X_L1000_Similarity": -2.02691, "FDA_Category_D_and_X_Structural_Similarity": 0.759979, "FDA_Category_D_and_X_Weighted_Contribution": -0.450711, "FDA_Category_D_and_X_Top_Rank": -0.0650177, "Placenta_Crossing_L1000_Similarity": -1.75279, "Placenta_Crossing_Structural_Similarity": 0.96389, "Placenta_Crossing_Weighted_Contribution": -0.0667302, "Placenta_Crossing_Top_Rank": -0.0518473, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4", "InChI_key": "VREFGVBLTWBCJP-UHFFFAOYSA-N" } }, "CID:2123": { "type": "Drug", "properties": { "id": "CID:2123", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2123", "label": "altretamine", "FDA_Category_D_L1000_Similarity": 1.86007, "FDA_Category_D_Structural_Similarity": -0.947419, "FDA_Category_D_Weighted_Contribution": 0.018697, "FDA_Category_D_Top_Rank": 0.0990643, "FDA_Category_X_L1000_Similarity": 2.24581, "FDA_Category_X_Structural_Similarity": -0.754437, "FDA_Category_X_Weighted_Contribution": 0.244774, "FDA_Category_X_Top_Rank": 0.0614266, "FDA_Category_D_and_X_L1000_Similarity": 2.28543, "FDA_Category_D_and_X_Structural_Similarity": -1.15907, "FDA_Category_D_and_X_Weighted_Contribution": -0.0227132, "FDA_Category_D_and_X_Top_Rank": 0.277211, "Placenta_Crossing_L1000_Similarity": 1.98139, "Placenta_Crossing_Structural_Similarity": -1.09548, "Placenta_Crossing_Weighted_Contribution": -0.214683, "Placenta_Crossing_Top_Rank": 0.0384107, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C", "InChI_key": "UUVWYPNAQBNQJQ-UHFFFAOYSA-N" } }, "CID:2129": { "type": "Drug", "properties": { "id": "CID:2129", "label": "am-92016", "lsm": "LSM-1319", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2129", "FDA_Category_D_L1000_Similarity": -0.841178, "FDA_Category_D_Structural_Similarity": 0.790204, "FDA_Category_D_Weighted_Contribution": 0.16918, "FDA_Category_D_Top_Rank": -0.0609393, "FDA_Category_X_L1000_Similarity": 0.225016, "FDA_Category_X_Structural_Similarity": -0.42604, "FDA_Category_X_Weighted_Contribution": -0.406199, "FDA_Category_X_Top_Rank": -0.0857006, "FDA_Category_D_and_X_L1000_Similarity": -0.656788, "FDA_Category_D_and_X_Structural_Similarity": 0.397306, "FDA_Category_D_and_X_Weighted_Contribution": -0.107217, "FDA_Category_D_and_X_Top_Rank": -0.0768844, "Placenta_Crossing_L1000_Similarity": -0.650269, "Placenta_Crossing_Structural_Similarity": 0.664876, "Placenta_Crossing_Weighted_Contribution": 0.179612, "Placenta_Crossing_Top_Rank": -0.0642065, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCC1=CC(=C(C=C1)Cl)Cl)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O", "InChI_key": "BQBSHJUQVIWEFM-UHFFFAOYSA-N" } }, "CID:2130": { "type": "Drug", "properties": { "id": "CID:2130", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2130", "label": "amantadine", "FDA_Category_D_L1000_Similarity": 2.65767, "FDA_Category_D_Structural_Similarity": -0.520207, "FDA_Category_D_Weighted_Contribution": 0.939999, "FDA_Category_D_Top_Rank": 1.2641, "FDA_Category_X_L1000_Similarity": 1.33415, "FDA_Category_X_Structural_Similarity": -0.704696, "FDA_Category_X_Weighted_Contribution": -0.157155, "FDA_Category_X_Top_Rank": -0.0572461, "FDA_Category_D_and_X_L1000_Similarity": 2.69612, "FDA_Category_D_and_X_Structural_Similarity": -0.793146, "FDA_Category_D_and_X_Weighted_Contribution": 0.5617, "FDA_Category_D_and_X_Top_Rank": 0.838241, "Placenta_Crossing_L1000_Similarity": 2.66355, "Placenta_Crossing_Structural_Similarity": -0.944893, "Placenta_Crossing_Weighted_Contribution": 0.249654, "Placenta_Crossing_Top_Rank": 0.43779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC3CC1CC(C2)(C3)N", "InChI_key": "DKNWSYNQZKUICI-UHFFFAOYSA-N" } }, "CID:213046": { "type": "Drug", "properties": { "id": "CID:213046", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID213046", "label": "lurasidone", "FDA_Category_D_L1000_Similarity": 0.391489, "FDA_Category_D_Structural_Similarity": 0.274288, "FDA_Category_D_Weighted_Contribution": 0.375726, "FDA_Category_D_Top_Rank": -0.0779015, "FDA_Category_X_L1000_Similarity": -1.44784, "FDA_Category_X_Structural_Similarity": -0.627214, "FDA_Category_X_Weighted_Contribution": -1.14669, "FDA_Category_X_Top_Rank": -0.0913444, "FDA_Category_D_and_X_L1000_Similarity": -0.102216, "FDA_Category_D_and_X_Structural_Similarity": -0.120736, "FDA_Category_D_and_X_Weighted_Contribution": -0.288035, "FDA_Category_D_and_X_Top_Rank": -0.0887599, "Placenta_Crossing_L1000_Similarity": 1.53664, "Placenta_Crossing_Structural_Similarity": -0.624133, "Placenta_Crossing_Weighted_Contribution": 0.0080463, "Placenta_Crossing_Top_Rank": -0.0360873, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O", "InChI_key": "PQXKDMSYBGKCJA-CVTJIBDQSA-N" } }, "CID:2160": { "type": "Drug", "properties": { "id": "CID:2160", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2160", "label": "amitriptyline", "ref": "LSM-3190", "FDA_Category_D_L1000_Similarity": 0.213161, "FDA_Category_D_Structural_Similarity": -0.747407, "FDA_Category_D_Weighted_Contribution": -0.631831, "FDA_Category_D_Top_Rank": -0.0900689, "FDA_Category_X_L1000_Similarity": 1.44871, "FDA_Category_X_Structural_Similarity": -0.620493, "FDA_Category_X_Weighted_Contribution": -0.021736, "FDA_Category_X_Top_Rank": -0.0502991, "FDA_Category_D_and_X_L1000_Similarity": 0.623702, "FDA_Category_D_and_X_Structural_Similarity": -0.928043, "FDA_Category_D_and_X_Weighted_Contribution": -0.605799, "FDA_Category_D_and_X_Top_Rank": -0.0829877, "Placenta_Crossing_L1000_Similarity": -0.139005, "Placenta_Crossing_Structural_Similarity": -0.482702, "Placenta_Crossing_Weighted_Contribution": -0.592043, "Placenta_Crossing_Top_Rank": -0.0892148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31", "InChI_key": "KRMDCWKBEZIMAB-UHFFFAOYSA-N" } }, "CID:219271": { "type": "Drug", "properties": { "id": "CID:219271", "label": "ebpc", "lsm": "LSM-1941", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/219271", "FDA_Category_D_L1000_Similarity": 1.53586, "FDA_Category_D_Structural_Similarity": -0.513524, "FDA_Category_D_Weighted_Contribution": 0.256673, "FDA_Category_D_Top_Rank": -0.000954294, "FDA_Category_X_L1000_Similarity": -0.652758, "FDA_Category_X_Structural_Similarity": 0.142347, "FDA_Category_X_Weighted_Contribution": -0.292432, "FDA_Category_X_Top_Rank": -0.0755956, "FDA_Category_D_and_X_L1000_Similarity": 1.12571, "FDA_Category_D_and_X_Structural_Similarity": -0.330781, "FDA_Category_D_and_X_Weighted_Contribution": 0.14478, "FDA_Category_D_and_X_Top_Rank": -0.0608237, "Placenta_Crossing_L1000_Similarity": 1.53778, "Placenta_Crossing_Structural_Similarity": 0.642157, "Placenta_Crossing_Weighted_Contribution": 1.31946, "Placenta_Crossing_Top_Rank": -0.0358719, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1CN(C(=O)C1=O)CC2=CC=CC=C2", "InChI_key": "FQMSSTZJKSWSMP-UHFFFAOYSA-N" } }, "CID:22049997": { "type": "Drug", "properties": { "id": "CID:22049997", "label": "ph-797804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22049997", "FDA_Category_D_L1000_Similarity": 0.704445, "FDA_Category_D_Structural_Similarity": 0.728969, "FDA_Category_D_Weighted_Contribution": 1.05484, "FDA_Category_D_Top_Rank": -0.0630593, "FDA_Category_X_L1000_Similarity": 1.51696, "FDA_Category_X_Structural_Similarity": -0.337912, "FDA_Category_X_Weighted_Contribution": 0.298695, "FDA_Category_X_Top_Rank": -0.0460035, "FDA_Category_D_and_X_L1000_Similarity": 1.06791, "FDA_Category_D_and_X_Structural_Similarity": 0.396256, "FDA_Category_D_and_X_Weighted_Contribution": 0.851289, "FDA_Category_D_and_X_Top_Rank": -0.064942, "Placenta_Crossing_L1000_Similarity": 1.12435, "Placenta_Crossing_Structural_Similarity": -0.494256, "Placenta_Crossing_Weighted_Contribution": -0.065403, "Placenta_Crossing_Top_Rank": -0.0656676, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C", "InChI_key": "KCAJXIDMCNPGHZ-UHFFFAOYSA-N" } }, "CID:22094941": { "type": "Drug", "properties": { "id": "CID:22094941", "label": "norcitalopram", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22094941", "FDA_Category_D_L1000_Similarity": 0.294258, "FDA_Category_D_Structural_Similarity": -0.0852194, "FDA_Category_D_Weighted_Contribution": -0.0328417, "FDA_Category_D_Top_Rank": -0.0872071, "FDA_Category_X_L1000_Similarity": -0.3136, "FDA_Category_X_Structural_Similarity": -0.313793, "FDA_Category_X_Weighted_Contribution": -0.538367, "FDA_Category_X_Top_Rank": -0.086746, "FDA_Category_D_and_X_L1000_Similarity": 0.158416, "FDA_Category_D_and_X_Structural_Similarity": -0.236961, "FDA_Category_D_and_X_Weighted_Contribution": -0.262624, "FDA_Category_D_and_X_Top_Rank": -0.0907162, "Placenta_Crossing_L1000_Similarity": 0.0148863, "Placenta_Crossing_Structural_Similarity": 0.084802, "Placenta_Crossing_Weighted_Contribution": -0.0504952, "Placenta_Crossing_Top_Rank": -0.0803844, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:223368": { "type": "Drug", "properties": { "id": "CID:223368", "label": "equilin", "lsm": "LSM-1881", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/223368", "FDA_Category_D_L1000_Similarity": 1.71066, "FDA_Category_D_Structural_Similarity": 1.61839, "FDA_Category_D_Weighted_Contribution": 2.58719, "FDA_Category_D_Top_Rank": 0.0460207, "FDA_Category_X_L1000_Similarity": 2.32222, "FDA_Category_X_Structural_Similarity": 3.50568, "FDA_Category_X_Weighted_Contribution": 4.05862, "FDA_Category_X_Top_Rank": 0.33907, "FDA_Category_D_and_X_L1000_Similarity": 2.17984, "FDA_Category_D_and_X_Structural_Similarity": 3.17619, "FDA_Category_D_and_X_Weighted_Contribution": 3.67917, "FDA_Category_D_and_X_Top_Rank": 0.267398, "Placenta_Crossing_L1000_Similarity": 3.24401, "Placenta_Crossing_Structural_Similarity": 0.386113, "Placenta_Crossing_Weighted_Contribution": 1.96434, "Placenta_Crossing_Top_Rank": 1.98428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O", "InChI_key": "WKRLQDKEXYKHJB-HFTRVMKXSA-N" } }, "CID:22416236": { "type": "Drug", "properties": { "id": "CID:22416236", "label": "ku-c103655", "lsm": "LSM-2855", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22416236", "FDA_Category_D_L1000_Similarity": -0.375812, "FDA_Category_D_Structural_Similarity": -0.486702, "FDA_Category_D_Weighted_Contribution": -0.693771, "FDA_Category_D_Top_Rank": -0.0939541, "FDA_Category_X_L1000_Similarity": 1.81351, "FDA_Category_X_Structural_Similarity": -0.451317, "FDA_Category_X_Weighted_Contribution": 0.335425, "FDA_Category_X_Top_Rank": -0.0174384, "FDA_Category_D_and_X_L1000_Similarity": 0.226776, "FDA_Category_D_and_X_Structural_Similarity": -0.629831, "FDA_Category_D_and_X_Weighted_Contribution": -0.549024, "FDA_Category_D_and_X_Top_Rank": -0.0898797, "Placenta_Crossing_L1000_Similarity": 0.213895, "Placenta_Crossing_Structural_Similarity": -0.536696, "Placenta_Crossing_Weighted_Contribution": -0.49581, "Placenta_Crossing_Top_Rank": -0.0865034, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)C3=CC=CC=C3F", "InChI_key": "IFVNDQLFGOHRTK-UHFFFAOYSA-N" } }, "CID:22565": { "type": "Drug", "properties": { "id": "CID:22565", "label": "aminopentamide", "lsm": "LSM-1745", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22565", "FDA_Category_D_L1000_Similarity": 1.10014, "FDA_Category_D_Structural_Similarity": 1.29993, "FDA_Category_D_Weighted_Contribution": 1.9229, "FDA_Category_D_Top_Rank": -0.0340297, "FDA_Category_X_L1000_Similarity": -0.481565, "FDA_Category_X_Structural_Similarity": 1.47439, "FDA_Category_X_Weighted_Contribution": 1.19677, "FDA_Category_X_Top_Rank": -0.01013, "FDA_Category_D_and_X_L1000_Similarity": 0.802098, "FDA_Category_D_and_X_Structural_Similarity": 1.82735, "FDA_Category_D_and_X_Weighted_Contribution": 2.1896, "FDA_Category_D_and_X_Top_Rank": 0.0173308, "Placenta_Crossing_L1000_Similarity": 1.73847, "Placenta_Crossing_Structural_Similarity": -0.383969, "Placenta_Crossing_Weighted_Contribution": 0.341019, "Placenta_Crossing_Top_Rank": -0.00970454, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)N(C)C", "InChI_key": "NARHAGIVSFTMIG-UHFFFAOYSA-N" } }, "CID:2267": { "type": "Drug", "properties": { "id": "CID:2267", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2267", "label": "azelastine", "FDA_Category_D_L1000_Similarity": -0.145579, "FDA_Category_D_Structural_Similarity": 0.346181, "FDA_Category_D_Weighted_Contribution": 0.133268, "FDA_Category_D_Top_Rank": -0.0758778, "FDA_Category_X_L1000_Similarity": 0.39147, "FDA_Category_X_Structural_Similarity": -0.545745, "FDA_Category_X_Weighted_Contribution": -0.437426, "FDA_Category_X_Top_Rank": -0.0838781, "FDA_Category_D_and_X_L1000_Similarity": -0.00660993, "FDA_Category_D_and_X_Structural_Similarity": -0.0197132, "FDA_Category_D_and_X_Weighted_Contribution": -0.154092, "FDA_Category_D_and_X_Top_Rank": -0.0867357, "Placenta_Crossing_L1000_Similarity": -0.647287, "Placenta_Crossing_Structural_Similarity": -0.68426, "Placenta_Crossing_Weighted_Contribution": -0.908633, "Placenta_Crossing_Top_Rank": -0.0911484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl", "InChI_key": "MBUVEWMHONZEQD-UHFFFAOYSA-N" } }, "CID:22693263": { "type": "Drug", "properties": { "id": "CID:22693263", "label": "ran-02", "lsm": "LSM-4650", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22693263", "FDA_Category_D_L1000_Similarity": 1.45299, "FDA_Category_D_Structural_Similarity": 3.23897, "FDA_Category_D_Weighted_Contribution": 3.62975, "FDA_Category_D_Top_Rank": 0.284866, "FDA_Category_X_L1000_Similarity": 2.60372, "FDA_Category_X_Structural_Similarity": -0.668434, "FDA_Category_X_Weighted_Contribution": 0.52612, "FDA_Category_X_Top_Rank": 0.220814, "FDA_Category_D_and_X_L1000_Similarity": 2.0432, "FDA_Category_D_and_X_Structural_Similarity": 2.21013, "FDA_Category_D_and_X_Weighted_Contribution": 3.0949, "FDA_Category_D_and_X_Top_Rank": 0.116951, "Placenta_Crossing_L1000_Similarity": 1.75815, "Placenta_Crossing_Structural_Similarity": -1.06124, "Placenta_Crossing_Weighted_Contribution": -0.283112, "Placenta_Crossing_Top_Rank": -0.0067055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)C1=NC(=NC2=CC=CC=C21)Cl", "InChI_key": "OOAMKODPDGBQOY-UHFFFAOYSA-N" } }, "CID:2284": { "type": "Drug", "properties": { "id": "CID:2284", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2284", "label": "baclofen", "ref": "LSM-5169", "FDA_Category_D_L1000_Similarity": 0.804978, "FDA_Category_X_L1000_Similarity": -0.858742, "FDA_Category_D_and_X_L1000_Similarity": 0.433121, "Placenta_Crossing_L1000_Similarity": 0.800318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(CC(=O)O)CN)Cl", "InChI_key": "KPYSYYIEGFHWSV-UHFFFAOYSA-N" } }, "CID:23633604": { "type": "Drug", "properties": { "id": "CID:23633604", "label": "LX-1031", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23633604", "FDA_Category_D_L1000_Similarity": 0.16992, "FDA_Category_D_Structural_Similarity": -0.140258, "FDA_Category_D_Weighted_Contribution": -0.150472, "FDA_Category_D_Top_Rank": -0.0883507, "FDA_Category_X_L1000_Similarity": 0.90089, "FDA_Category_X_Structural_Similarity": -0.554799, "FDA_Category_X_Weighted_Contribution": -0.219362, "FDA_Category_X_Top_Rank": -0.0743893, "FDA_Category_D_and_X_L1000_Similarity": 0.420052, "FDA_Category_D_and_X_Structural_Similarity": -0.410692, "FDA_Category_D_and_X_Weighted_Contribution": -0.285655, "FDA_Category_D_and_X_Top_Rank": -0.0871421, "Placenta_Crossing_L1000_Similarity": 1.01824, "Placenta_Crossing_Structural_Similarity": -0.29074, "Placenta_Crossing_Weighted_Contribution": 0.0744762, "Placenta_Crossing_Top_Rank": -0.0698422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2369": { "type": "Drug", "properties": { "id": "CID:2369", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2369", "label": "betaxolol", "FDA_Category_D_L1000_Similarity": 0.861386, "FDA_Category_D_Structural_Similarity": 0.164808, "FDA_Category_D_Weighted_Contribution": 0.547367, "FDA_Category_D_Top_Rank": -0.0732079, "FDA_Category_X_L1000_Similarity": 1.37364, "FDA_Category_X_Structural_Similarity": -0.212032, "FDA_Category_X_Weighted_Contribution": 0.35565, "FDA_Category_X_Top_Rank": -0.0547115, "FDA_Category_D_and_X_L1000_Similarity": 1.15967, "FDA_Category_D_and_X_Structural_Similarity": 0.0163988, "FDA_Category_D_and_X_Weighted_Contribution": 0.50855, "FDA_Category_D_and_X_Top_Rank": -0.0583247, "Placenta_Crossing_L1000_Similarity": 1.85405, "Placenta_Crossing_Structural_Similarity": 3.33466, "Placenta_Crossing_Weighted_Contribution": 3.65962, "Placenta_Crossing_Top_Rank": 0.2857, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O", "InChI_key": "NWIUTZDMDHAVTP-UHFFFAOYSA-N" } }, "CID:237": { "type": "Drug", "properties": { "id": "CID:237", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID237", "label": "quinacrine", "FDA_Category_D_L1000_Similarity": -0.0442166, "FDA_Category_D_Structural_Similarity": -0.260037, "FDA_Category_D_Weighted_Contribution": -0.364445, "FDA_Category_D_Top_Rank": -0.090659, "FDA_Category_X_L1000_Similarity": 0.255034, "FDA_Category_X_Structural_Similarity": 0.190696, "FDA_Category_X_Weighted_Contribution": 0.192174, "FDA_Category_X_Top_Rank": -0.0736163, "FDA_Category_D_and_X_L1000_Similarity": 0.0393324, "FDA_Category_D_and_X_Structural_Similarity": -0.103496, "FDA_Category_D_and_X_Weighted_Contribution": -0.205066, "FDA_Category_D_and_X_Top_Rank": -0.0883505, "Placenta_Crossing_L1000_Similarity": -0.180452, "Placenta_Crossing_Structural_Similarity": 1.74783, "Placenta_Crossing_Weighted_Contribution": 1.57099, "Placenta_Crossing_Top_Rank": 0.00422649, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC", "InChI_key": "GPKJTRJOBQGKQK-UHFFFAOYSA-N" } }, "CID:2381": { "type": "Drug", "properties": { "id": "CID:2381", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2381", "label": "biperiden", "FDA_Category_D_L1000_Similarity": -0.319057, "FDA_Category_D_Structural_Similarity": -0.662454, "FDA_Category_D_Weighted_Contribution": -0.794106, "FDA_Category_D_Top_Rank": -0.0943351, "FDA_Category_X_L1000_Similarity": 0.223627, "FDA_Category_X_Structural_Similarity": -0.398318, "FDA_Category_X_Weighted_Contribution": -0.382777, "FDA_Category_X_Top_Rank": -0.0857061, "FDA_Category_D_and_X_L1000_Similarity": -0.207116, "FDA_Category_D_and_X_Structural_Similarity": -0.74073, "FDA_Category_D_and_X_Weighted_Contribution": -0.801102, "FDA_Category_D_and_X_Top_Rank": -0.0936854, "Placenta_Crossing_L1000_Similarity": 1.10474, "Placenta_Crossing_Structural_Similarity": -0.762212, "Placenta_Crossing_Weighted_Contribution": -0.310755, "Placenta_Crossing_Top_Rank": -0.0664369, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O", "InChI_key": "YSXKPIUOCJLQIE-UHFFFAOYSA-N" } }, "CID:23817954": { "type": "Drug", "properties": { "id": "CID:23817954", "label": "josamycin", "lsm": "LSM-5634", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23817954", "FDA_Category_D_L1000_Similarity": 0.296986, "FDA_Category_D_Structural_Similarity": 2.11977, "FDA_Category_D_Weighted_Contribution": 2.27814, "FDA_Category_D_Top_Rank": 0.0698312, "FDA_Category_X_L1000_Similarity": 1.56812, "FDA_Category_X_Structural_Similarity": 1.02836, "FDA_Category_X_Weighted_Contribution": 1.85334, "FDA_Category_X_Top_Rank": -0.0393754, "FDA_Category_D_and_X_L1000_Similarity": 0.732213, "FDA_Category_D_and_X_Structural_Similarity": 2.23738, "FDA_Category_D_and_X_Weighted_Contribution": 2.53381, "FDA_Category_D_and_X_Top_Rank": 0.0678448, "Placenta_Crossing_L1000_Similarity": 1.13082, "Placenta_Crossing_Structural_Similarity": 0.587521, "Placenta_Crossing_Weighted_Contribution": 1.03731, "Placenta_Crossing_Top_Rank": -0.0652688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2390": { "type": "Drug", "properties": { "id": "CID:2390", "label": "ag-490", "lsm": "LSM-2255", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2390", "FDA_Category_D_L1000_Similarity": -1.75993, "FDA_Category_D_Structural_Similarity": -0.289266, "FDA_Category_D_Weighted_Contribution": -1.08574, "FDA_Category_D_Top_Rank": -0.0912105, "FDA_Category_X_L1000_Similarity": 0.140355, "FDA_Category_X_Structural_Similarity": 0.0294242, "FDA_Category_X_Weighted_Contribution": -0.0264044, "FDA_Category_X_Top_Rank": -0.0790262, "FDA_Category_D_and_X_L1000_Similarity": -1.47446, "FDA_Category_D_and_X_Structural_Similarity": -0.213717, "FDA_Category_D_and_X_Weighted_Contribution": -0.918242, "FDA_Category_D_and_X_Top_Rank": -0.0904568, "Placenta_Crossing_L1000_Similarity": -1.29515, "Placenta_Crossing_Structural_Similarity": -0.600912, "Placenta_Crossing_Weighted_Contribution": -1.05424, "Placenta_Crossing_Top_Rank": -0.0905762, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N", "InChI_key": "TUCIOBMMDDOEMM-UHFFFAOYSA-N" } }, "CID:23902994": { "type": "Drug", "properties": { "id": "CID:23902994", "label": "bl-077", "lsm": "LSM-5041", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23902994", "FDA_Category_D_L1000_Similarity": 1.03181, "FDA_Category_D_Structural_Similarity": -0.719767, "FDA_Category_D_Weighted_Contribution": -0.217407, "FDA_Category_D_Top_Rank": -0.0635017, "FDA_Category_X_L1000_Similarity": 1.04389, "FDA_Category_X_Structural_Similarity": 1.07915, "FDA_Category_X_Weighted_Contribution": 1.61598, "FDA_Category_X_Top_Rank": -0.0369343, "FDA_Category_D_and_X_L1000_Similarity": 1.20644, "FDA_Category_D_and_X_Structural_Similarity": 0.0110173, "FDA_Category_D_and_X_Weighted_Contribution": 0.529913, "FDA_Category_D_and_X_Top_Rank": -0.0543008, "Placenta_Crossing_L1000_Similarity": 1.52062, "Placenta_Crossing_Structural_Similarity": -0.467196, "Placenta_Crossing_Weighted_Contribution": 0.14973, "Placenta_Crossing_Top_Rank": -0.0378933, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C", "InChI_key": "XMRPGKVKISIQBV-IKAFFPRBSA-N" } }, "CID:2392": { "type": "Drug", "properties": { "id": "CID:2392", "label": "pibenzimol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2392", "FDA_Category_D_L1000_Similarity": 0.197653, "FDA_Category_D_Structural_Similarity": -0.486882, "FDA_Category_D_Weighted_Contribution": -0.435071, "FDA_Category_D_Top_Rank": -0.090239, "FDA_Category_X_L1000_Similarity": 0.912172, "FDA_Category_X_Structural_Similarity": -0.347933, "FDA_Category_X_Weighted_Contribution": -0.017765, "FDA_Category_X_Top_Rank": -0.0741301, "FDA_Category_D_and_X_L1000_Similarity": 0.447385, "FDA_Category_D_and_X_Structural_Similarity": -0.574188, "FDA_Category_D_and_X_Weighted_Contribution": -0.408357, "FDA_Category_D_and_X_Top_Rank": -0.0867078, "Placenta_Crossing_L1000_Similarity": 0.372102, "Placenta_Crossing_Structural_Similarity": -0.735402, "Placenta_Crossing_Weighted_Contribution": -0.58708, "Placenta_Crossing_Top_Rank": -0.0848161, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2405": { "type": "Drug", "properties": { "id": "CID:2405", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2405", "label": "bisoprolol", "ref": "LSM-1886", "FDA_Category_D_L1000_Similarity": 1.11271, "FDA_Category_D_Structural_Similarity": 0.827239, "FDA_Category_D_Weighted_Contribution": 1.42384, "FDA_Category_D_Top_Rank": -0.0571559, "FDA_Category_X_L1000_Similarity": 0.604371, "FDA_Category_X_Structural_Similarity": 0.516163, "FDA_Category_X_Weighted_Contribution": 0.72836, "FDA_Category_X_Top_Rank": -0.0613945, "FDA_Category_D_and_X_L1000_Similarity": 1.1427, "FDA_Category_D_and_X_Structural_Similarity": 0.935109, "FDA_Category_D_and_X_Weighted_Contribution": 1.47157, "FDA_Category_D_and_X_Top_Rank": -0.0565505, "Placenta_Crossing_L1000_Similarity": -0.0182577, "Placenta_Crossing_Structural_Similarity": 3.75789, "Placenta_Crossing_Weighted_Contribution": 3.38036, "Placenta_Crossing_Top_Rank": 0.42738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O", "InChI_key": "VHYCDWMUTMEGQY-UHFFFAOYSA-N" } }, "CID:24069689": { "type": "Drug", "properties": { "id": "CID:24069689", "label": "mocimycin", "lsm": "LSM-1772", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24069689", "FDA_Category_D_L1000_Similarity": 0.00139958, "FDA_Category_D_Structural_Similarity": -0.702654, "FDA_Category_D_Weighted_Contribution": -0.690193, "FDA_Category_D_Top_Rank": -0.0921477, "FDA_Category_X_L1000_Similarity": -0.106966, "FDA_Category_X_Structural_Similarity": -0.579387, "FDA_Category_X_Weighted_Contribution": -0.667175, "FDA_Category_X_Top_Rank": -0.0882806, "FDA_Category_D_and_X_L1000_Similarity": -0.03128, "FDA_Category_D_and_X_Structural_Similarity": -0.87034, "FDA_Category_D_and_X_Weighted_Contribution": -0.821566, "FDA_Category_D_and_X_Top_Rank": -0.092461, "Placenta_Crossing_L1000_Similarity": -0.157025, "Placenta_Crossing_Structural_Similarity": 0.31795, "Placenta_Crossing_Weighted_Contribution": 0.0863573, "Placenta_Crossing_Top_Rank": -0.0745978, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(NC=CC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O", "InChI_key": "HMSYAPGFKGSXAJ-GQARRPNOSA-N" } }, "CID:24094067": { "type": "Drug", "properties": { "id": "CID:24094067", "label": "i-303059", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24094067", "FDA_Category_D_L1000_Similarity": 0.483868, "FDA_Category_D_Structural_Similarity": 1.10097, "FDA_Category_D_Weighted_Contribution": 1.32056, "FDA_Category_D_Top_Rank": -0.0456505, "FDA_Category_X_L1000_Similarity": 2.15137, "FDA_Category_X_Structural_Similarity": 0.546867, "FDA_Category_X_Weighted_Contribution": 1.64074, "FDA_Category_X_Top_Rank": 0.0413495, "FDA_Category_D_and_X_L1000_Similarity": 1.07043, "FDA_Category_D_and_X_Structural_Similarity": 1.16894, "FDA_Category_D_and_X_Weighted_Contribution": 1.67567, "FDA_Category_D_and_X_Top_Rank": -0.0413692, "Placenta_Crossing_L1000_Similarity": 1.09247, "Placenta_Crossing_Structural_Similarity": 0.88982, "Placenta_Crossing_Weighted_Contribution": 1.34295, "Placenta_Crossing_Top_Rank": -0.0555891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C2C(C(C(O1)CO)OC(=O)NC3=CC=C(C=C3)Br)OC(=O)C(CC=CCC(C(=O)O2)CC4=CC(=CC=C4)Br)CC5=CC(=CC=C5)Br", "InChI_key": "DHHTUYUQBBKHGB-GQOFIONKSA-N" } }, "CID:2431": { "type": "Drug", "properties": { "id": "CID:2431", "label": "bretylium", "lsm": "LSM-5607", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2431", "FDA_Category_D_L1000_Similarity": 0.551062, "FDA_Category_D_Structural_Similarity": -0.649959, "FDA_Category_D_Weighted_Contribution": -0.398952, "FDA_Category_D_Top_Rank": -0.0839199, "FDA_Category_X_L1000_Similarity": 1.00617, "FDA_Category_X_Structural_Similarity": -0.673738, "FDA_Category_X_Weighted_Contribution": -0.279773, "FDA_Category_X_Top_Rank": -0.0711998, "FDA_Category_D_and_X_L1000_Similarity": 0.780589, "FDA_Category_D_and_X_Structural_Similarity": -0.879428, "FDA_Category_D_and_X_Weighted_Contribution": -0.502258, "FDA_Category_D_and_X_Top_Rank": -0.0784843, "Placenta_Crossing_L1000_Similarity": 0.748482, "Placenta_Crossing_Structural_Similarity": 0.0842599, "Placenta_Crossing_Weighted_Contribution": 0.306936, "Placenta_Crossing_Top_Rank": -0.0776983, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](C)(C)CC1=CC=CC=C1Br", "InChI_key": "AAQOQKQBGPPFNS-UHFFFAOYSA-N" } }, "CID:2446": { "type": "Drug", "properties": { "id": "CID:2446", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2446", "label": "bromopride", "FDA_Category_D_L1000_Similarity": -1.09511, "FDA_Category_D_Structural_Similarity": 0.503492, "FDA_Category_D_Weighted_Contribution": -0.237026, "FDA_Category_D_Top_Rank": -0.0708439, "FDA_Category_X_L1000_Similarity": 0.822682, "FDA_Category_X_Structural_Similarity": -0.523875, "FDA_Category_X_Weighted_Contribution": -0.226914, "FDA_Category_X_Top_Rank": -0.0763622, "FDA_Category_D_and_X_L1000_Similarity": -0.694164, "FDA_Category_D_and_X_Structural_Similarity": 0.116947, "FDA_Category_D_and_X_Weighted_Contribution": -0.366593, "FDA_Category_D_and_X_Top_Rank": -0.0836154, "Placenta_Crossing_L1000_Similarity": -0.73537, "Placenta_Crossing_Structural_Similarity": 4.45726, "Placenta_Crossing_Weighted_Contribution": 3.56632, "Placenta_Crossing_Top_Rank": 0.643424, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br", "InChI_key": "GIYAQDDTCWHPPL-UHFFFAOYSA-N" } }, "CID:2448": { "type": "Drug", "properties": { "id": "CID:2448", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2448", "label": "bromperidol", "FDA_Category_D_L1000_Similarity": 0.484047, "FDA_Category_D_Structural_Similarity": -0.278955, "FDA_Category_D_Weighted_Contribution": -0.109296, "FDA_Category_D_Top_Rank": -0.0855762, "FDA_Category_X_L1000_Similarity": -0.0291675, "FDA_Category_X_Structural_Similarity": 0.12082, "FDA_Category_X_Weighted_Contribution": -0.0200063, "FDA_Category_X_Top_Rank": -0.0764137, "FDA_Category_D_and_X_L1000_Similarity": 0.408396, "FDA_Category_D_and_X_Structural_Similarity": -0.156216, "FDA_Category_D_and_X_Weighted_Contribution": -0.0678377, "FDA_Category_D_and_X_Top_Rank": -0.0873206, "Placenta_Crossing_L1000_Similarity": 0.494106, "Placenta_Crossing_Structural_Similarity": -0.426992, "Placenta_Crossing_Weighted_Contribution": -0.289109, "Placenta_Crossing_Top_Rank": -0.0830731, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F", "InChI_key": "RKLNONIVDFXQRX-UHFFFAOYSA-N" } }, "CID:24747183": { "type": "Drug", "properties": { "id": "CID:24747183", "label": "jas07-008", "lsm": "LSM-4239", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747183", "FDA_Category_D_L1000_Similarity": 0.645745, "FDA_Category_X_L1000_Similarity": 0.300192, "FDA_Category_D_and_X_L1000_Similarity": 0.647803, "Placenta_Crossing_L1000_Similarity": -0.180506, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CC=C4F)C5=CC=CC=C5N2)C", "InChI_key": "RDUPLSWJXORTBB-SFHVURJKSA-N" } }, "CID:24747196": { "type": "Drug", "properties": { "id": "CID:24747196", "label": "psh-025", "lsm": "LSM-3888", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747196", "FDA_Category_D_L1000_Similarity": 1.84834, "FDA_Category_X_L1000_Similarity": 0.794843, "FDA_Category_D_and_X_L1000_Similarity": 1.83469, "Placenta_Crossing_L1000_Similarity": 0.448133, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=C(C=C4)F)C5=CC=CC=C5N2)C", "InChI_key": "FFKOKIOJYNDYIL-GOSISDBHSA-N" } }, "CID:24747209": { "type": "Drug", "properties": { "id": "CID:24747209", "label": "psh-012", "lsm": "LSM-2017", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747209", "FDA_Category_D_L1000_Similarity": 0.106546, "FDA_Category_X_L1000_Similarity": -2.04639, "FDA_Category_D_and_X_L1000_Similarity": -0.529601, "Placenta_Crossing_L1000_Similarity": -0.0709699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1CN2C(=O)C3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45", "InChI_key": "KGGSXZOAUKHWTH-LJQANCHMSA-N" } }, "CID:24747210": { "type": "Drug", "properties": { "id": "CID:24747210", "label": "psh-027", "lsm": "LSM-3515", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747210", "FDA_Category_D_L1000_Similarity": 1.65127, "FDA_Category_D_Structural_Similarity": 0.883081, "FDA_Category_D_Weighted_Contribution": 1.82383, "FDA_Category_D_Top_Rank": 0.028574, "FDA_Category_X_L1000_Similarity": -0.155056, "FDA_Category_X_Structural_Similarity": -0.373356, "FDA_Category_X_Weighted_Contribution": -0.522142, "FDA_Category_X_Top_Rank": -0.0877709, "FDA_Category_D_and_X_L1000_Similarity": 1.37632, "FDA_Category_D_and_X_Structural_Similarity": 0.499452, "FDA_Category_D_and_X_Weighted_Contribution": 1.14584, "FDA_Category_D_and_X_Top_Rank": -0.0398766, "Placenta_Crossing_L1000_Similarity": 0.895537, "Placenta_Crossing_Structural_Similarity": -0.311804, "Placenta_Crossing_Weighted_Contribution": -0.0040108, "Placenta_Crossing_Top_Rank": -0.0737469, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)C4=C(C=C(C=C4)F)F)C5=CC=CC=C5N2)C", "InChI_key": "ZEOYXGWHTZKZQP-QGZVFWFLSA-N" } }, "CID:24747215": { "type": "Drug", "properties": { "id": "CID:24747215", "label": "jas07-007", "lsm": "LSM-2721", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747215", "FDA_Category_D_L1000_Similarity": 0.281561, "FDA_Category_D_Structural_Similarity": -0.460544, "FDA_Category_D_Weighted_Contribution": -0.372614, "FDA_Category_D_Top_Rank": -0.0891156, "FDA_Category_X_L1000_Similarity": -1.27005, "FDA_Category_X_Structural_Similarity": -0.661791, "FDA_Category_X_Weighted_Contribution": -1.11547, "FDA_Category_X_Top_Rank": -0.0916207, "FDA_Category_D_and_X_L1000_Similarity": -0.142983, "FDA_Category_D_and_X_Structural_Similarity": -0.72264, "FDA_Category_D_and_X_Weighted_Contribution": -0.764851, "FDA_Category_D_and_X_Top_Rank": -0.0932813, "Placenta_Crossing_L1000_Similarity": -0.158331, "Placenta_Crossing_Structural_Similarity": -1.07324, "Placenta_Crossing_Weighted_Contribution": -0.994227, "Placenta_Crossing_Top_Rank": -0.0893359, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC(=CC=C4)OC)C5=CC=CC=C5N2)C", "InChI_key": "GZMDFKPAEJIEIJ-IBGZPJMESA-N" } }, "CID:24794418": { "type": "Drug", "properties": { "id": "CID:24794418", "label": "bms-777607", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24794418", "FDA_Category_D_L1000_Similarity": 2.41037, "FDA_Category_D_Structural_Similarity": 0.170904, "FDA_Category_D_Weighted_Contribution": 1.53654, "FDA_Category_D_Top_Rank": 0.683494, "FDA_Category_X_L1000_Similarity": 1.89467, "FDA_Category_X_Structural_Similarity": -0.584106, "FDA_Category_X_Weighted_Contribution": 0.239203, "FDA_Category_X_Top_Rank": -0.00672912, "FDA_Category_D_and_X_L1000_Similarity": 2.65316, "FDA_Category_D_and_X_Structural_Similarity": -0.179533, "FDA_Category_D_and_X_Weighted_Contribution": 1.18523, "FDA_Category_D_and_X_Top_Rank": 0.766932, "Placenta_Crossing_L1000_Similarity": 2.17865, "Placenta_Crossing_Structural_Similarity": 0.0807661, "Placenta_Crossing_Weighted_Contribution": 1.06409, "Placenta_Crossing_Top_Rank": 0.0992934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F", "InChI_key": "VNBRGSXVFBYQNN-UHFFFAOYSA-N" } }, "CID:2481": { "type": "Drug", "properties": { "id": "CID:2481", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2481", "label": "butalbital", "ref": "LSM-5793", "FDA_Category_D_L1000_Similarity": 0.942059, "FDA_Category_D_Structural_Similarity": -0.926512, "FDA_Category_D_Weighted_Contribution": -0.438107, "FDA_Category_D_Top_Rank": -0.069032, "FDA_Category_X_L1000_Similarity": 1.38758, "FDA_Category_X_Structural_Similarity": -0.726616, "FDA_Category_X_Weighted_Contribution": -0.152633, "FDA_Category_X_Top_Rank": -0.0540812, "FDA_Category_D_and_X_L1000_Similarity": 1.23345, "FDA_Category_D_and_X_Structural_Similarity": -1.12746, "FDA_Category_D_and_X_Weighted_Contribution": -0.497729, "FDA_Category_D_and_X_Top_Rank": -0.0525432, "Placenta_Crossing_L1000_Similarity": 2.08473, "Placenta_Crossing_Structural_Similarity": -0.72147, "Placenta_Crossing_Weighted_Contribution": 0.180721, "Placenta_Crossing_Top_Rank": 0.069314, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C", "InChI_key": "UZVHFVZFNXBMQJ-UHFFFAOYSA-N" } }, "CID:24856238": { "type": "Drug", "properties": { "id": "CID:24856238", "label": "fu-jmbii227b", "lsm": "LSM-4087", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24856238", "FDA_Category_D_L1000_Similarity": 0.455962, "FDA_Category_D_Structural_Similarity": -0.0808457, "FDA_Category_D_Weighted_Contribution": 0.0609825, "FDA_Category_D_Top_Rank": -0.0861373, "FDA_Category_X_L1000_Similarity": 1.1879, "FDA_Category_X_Structural_Similarity": -0.0924011, "FDA_Category_X_Weighted_Contribution": 0.383917, "FDA_Category_X_Top_Rank": -0.0647757, "FDA_Category_D_and_X_L1000_Similarity": 0.753793, "FDA_Category_D_and_X_Structural_Similarity": -0.114028, "FDA_Category_D_and_X_Weighted_Contribution": 0.152719, "FDA_Category_D_and_X_Top_Rank": -0.0794335, "Placenta_Crossing_L1000_Similarity": -0.605761, "Placenta_Crossing_Structural_Similarity": -0.273262, "Placenta_Crossing_Weighted_Contribution": -0.612518, "Placenta_Crossing_Top_Rank": -0.0870663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2", "InChI_key": "XTEUDLFCDXLLCT-HNNXBMFYSA-N" } }, "CID:24856313": { "type": "Drug", "properties": { "id": "CID:24856313", "label": "fu-jmbii127b", "lsm": "LSM-2752", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24856313", "FDA_Category_D_L1000_Similarity": -1.35569, "FDA_Category_D_Structural_Similarity": -0.669749, "FDA_Category_D_Weighted_Contribution": -1.16315, "FDA_Category_D_Top_Rank": -0.0956203, "FDA_Category_X_L1000_Similarity": 0.670797, "FDA_Category_X_Structural_Similarity": -0.470695, "FDA_Category_X_Weighted_Contribution": -0.247809, "FDA_Category_X_Top_Rank": -0.0797882, "FDA_Category_D_and_X_L1000_Similarity": -0.964919, "FDA_Category_D_and_X_Structural_Similarity": -0.785574, "FDA_Category_D_and_X_Weighted_Contribution": -1.08324, "FDA_Category_D_and_X_Top_Rank": -0.0958801, "Placenta_Crossing_L1000_Similarity": -1.37243, "Placenta_Crossing_Structural_Similarity": -0.231055, "Placenta_Crossing_Weighted_Contribution": -0.854208, "Placenta_Crossing_Top_Rank": -0.0864202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)N1C(=O)C(N1C(=O)OC)(C2CCCC2)C3=CC=CC=C3", "InChI_key": "ZRHWCAFAIHTQKD-QGZVFWFLSA-N" } }, "CID:24864821": { "type": "Drug", "properties": { "id": "CID:24864821", "label": "amg-208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24864821", "FDA_Category_D_L1000_Similarity": -1.16391, "FDA_Category_D_Structural_Similarity": -0.614967, "FDA_Category_D_Weighted_Contribution": -1.07268, "FDA_Category_D_Top_Rank": -0.0951947, "FDA_Category_X_L1000_Similarity": 0.302034, "FDA_Category_X_Structural_Similarity": -0.358954, "FDA_Category_X_Weighted_Contribution": -0.313496, "FDA_Category_X_Top_Rank": -0.0849155, "FDA_Category_D_and_X_L1000_Similarity": -0.911592, "FDA_Category_D_and_X_Structural_Similarity": -0.681798, "FDA_Category_D_and_X_Weighted_Contribution": -1.00883, "FDA_Category_D_and_X_Top_Rank": -0.0953297, "Placenta_Crossing_L1000_Similarity": -1.13831, "Placenta_Crossing_Structural_Similarity": -0.819935, "Placenta_Crossing_Weighted_Contribution": -1.13002, "Placenta_Crossing_Top_Rank": -0.0918249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5", "InChI_key": "HEAIZQNMNCHNFD-UHFFFAOYSA-N" } }, "CID:24872560": { "type": "Drug", "properties": { "id": "CID:24872560", "label": "apalutamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24872560", "FDA_Category_D_L1000_Similarity": 1.25456, "FDA_Category_D_Structural_Similarity": 0.681522, "FDA_Category_D_Weighted_Contribution": 1.35541, "FDA_Category_D_Top_Rank": -0.0435635, "FDA_Category_X_L1000_Similarity": 2.46089, "FDA_Category_X_Structural_Similarity": -0.658137, "FDA_Category_X_Weighted_Contribution": 0.460065, "FDA_Category_X_Top_Rank": 0.137656, "FDA_Category_D_and_X_L1000_Similarity": 1.82877, "FDA_Category_D_and_X_Structural_Similarity": 0.185805, "FDA_Category_D_and_X_Weighted_Contribution": 1.08157, "FDA_Category_D_and_X_Top_Rank": 0.0383814, "Placenta_Crossing_L1000_Similarity": 0.782164, "Placenta_Crossing_Structural_Similarity": -0.587972, "Placenta_Crossing_Weighted_Contribution": -0.30176, "Placenta_Crossing_Top_Rank": -0.0768218, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F", "InChI_key": "HJBWBFZLDZWPHF-UHFFFAOYSA-N" } }, "CID:24965990": { "type": "Drug", "properties": { "id": "CID:24965990", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24965990", "label": "suvorexant", "FDA_Category_D_L1000_Similarity": 0.646604, "FDA_Category_D_Structural_Similarity": 0.153719, "FDA_Category_D_Weighted_Contribution": 0.405263, "FDA_Category_D_Top_Rank": -0.0811218, "FDA_Category_X_L1000_Similarity": 0.021691, "FDA_Category_X_Structural_Similarity": -0.507883, "FDA_Category_X_Weighted_Contribution": -0.559781, "FDA_Category_X_Top_Rank": -0.0874609, "FDA_Category_D_and_X_L1000_Similarity": 0.563971, "FDA_Category_D_and_X_Structural_Similarity": -0.152043, "FDA_Category_D_and_X_Weighted_Contribution": 0.0161696, "FDA_Category_D_and_X_Top_Rank": -0.0843217, "Placenta_Crossing_L1000_Similarity": 0.151767, "Placenta_Crossing_Structural_Similarity": 0.409506, "Placenta_Crossing_Weighted_Contribution": 0.329497, "Placenta_Crossing_Top_Rank": -0.0722181, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl", "InChI_key": "JYTNQNCOQXFQPK-MRXNPFEDSA-N" } }, "CID:24988881": { "type": "Drug", "properties": { "id": "CID:24988881", "label": "mk-8245", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24988881", "FDA_Category_D_L1000_Similarity": -0.0157199, "FDA_Category_D_Structural_Similarity": -0.745244, "FDA_Category_D_Weighted_Contribution": -0.727969, "FDA_Category_D_Top_Rank": -0.0923092, "FDA_Category_X_L1000_Similarity": -0.0989152, "FDA_Category_X_Structural_Similarity": -0.562656, "FDA_Category_X_Weighted_Contribution": -0.651117, "FDA_Category_X_Top_Rank": -0.0882285, "FDA_Category_D_and_X_L1000_Similarity": -0.0435914, "FDA_Category_D_and_X_Structural_Similarity": -0.895117, "FDA_Category_D_and_X_Weighted_Contribution": -0.842179, "FDA_Category_D_and_X_Top_Rank": -0.0925633, "Placenta_Crossing_L1000_Similarity": -0.0667349, "Placenta_Crossing_Structural_Similarity": -0.954276, "Placenta_Crossing_Weighted_Contribution": -0.893207, "Placenta_Crossing_Top_Rank": -0.0887643, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NOC(=C3)C4=NN(N=N4)CC(=O)O", "InChI_key": "UJEAABFSXKCSGI-UHFFFAOYSA-N" } }, "CID:25025505": { "type": "Drug", "properties": { "id": "CID:25025505", "label": "mbx-2982", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25025505", "FDA_Category_D_L1000_Similarity": 0.396133, "FDA_Category_D_Structural_Similarity": -0.271328, "FDA_Category_D_Weighted_Contribution": -0.149209, "FDA_Category_D_Top_Rank": -0.0872731, "FDA_Category_X_L1000_Similarity": 1.30798, "FDA_Category_X_Structural_Similarity": -0.318694, "FDA_Category_X_Weighted_Contribution": 0.210146, "FDA_Category_X_Top_Rank": -0.0585203, "FDA_Category_D_and_X_L1000_Similarity": 0.738685, "FDA_Category_D_and_X_Structural_Similarity": -0.387323, "FDA_Category_D_and_X_Weighted_Contribution": -0.109349, "FDA_Category_D_and_X_Top_Rank": -0.0799557, "Placenta_Crossing_L1000_Similarity": 0.525342, "Placenta_Crossing_Structural_Similarity": -0.224556, "Placenta_Crossing_Weighted_Contribution": -0.0966108, "Placenta_Crossing_Top_Rank": -0.0825072, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5", "InChI_key": "NFTMKHWBOINJGM-UHFFFAOYSA-N" } }, "CID:25051": { "type": "Drug", "properties": { "id": "CID:25051", "label": "cyclocytidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25051", "FDA_Category_D_L1000_Similarity": 0.149631, "FDA_Category_D_Structural_Similarity": 0.286484, "FDA_Category_D_Weighted_Contribution": 0.244936, "FDA_Category_D_Top_Rank": -0.0775873, "FDA_Category_X_L1000_Similarity": 0.378889, "FDA_Category_X_Structural_Similarity": -0.4287, "FDA_Category_X_Weighted_Contribution": -0.341281, "FDA_Category_X_Top_Rank": -0.0840301, "FDA_Category_D_and_X_L1000_Similarity": 0.244042, "FDA_Category_D_and_X_Structural_Similarity": -0.0039386, "FDA_Category_D_and_X_Weighted_Contribution": -0.012762, "FDA_Category_D_and_X_Top_Rank": -0.0864434, "Placenta_Crossing_L1000_Similarity": 0.516345, "Placenta_Crossing_Structural_Similarity": 0.257662, "Placenta_Crossing_Weighted_Contribution": 0.362819, "Placenta_Crossing_Top_Rank": -0.0762609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25062766": { "type": "Drug", "properties": { "id": "CID:25062766", "label": "momelotinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25062766", "FDA_Category_D_L1000_Similarity": -1.02631, "FDA_Category_D_Structural_Similarity": -0.851542, "FDA_Category_D_Weighted_Contribution": -1.15736, "FDA_Category_D_Top_Rank": -0.0963262, "FDA_Category_X_L1000_Similarity": 0.0168167, "FDA_Category_X_Structural_Similarity": -0.611147, "FDA_Category_X_Weighted_Contribution": -0.643787, "FDA_Category_X_Top_Rank": -0.0874995, "FDA_Category_D_and_X_L1000_Similarity": -0.879589, "FDA_Category_D_and_X_Structural_Similarity": -1.00565, "FDA_Category_D_and_X_Weighted_Contribution": -1.17248, "FDA_Category_D_and_X_Top_Rank": -0.0960417, "Placenta_Crossing_L1000_Similarity": -0.984515, "Placenta_Crossing_Structural_Similarity": -0.80908, "Placenta_Crossing_Weighted_Contribution": -1.0823, "Placenta_Crossing_Top_Rank": -0.0917801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N", "InChI_key": "ZVHNDZWQTBEVRY-UHFFFAOYSA-N" } }, "CID:25124816": { "type": "Drug", "properties": { "id": "CID:25124816", "label": "gsk-1904529a", "lsm": "LSM-1134", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25124816", "FDA_Category_D_L1000_Similarity": 0.00518998, "FDA_Category_D_Structural_Similarity": 2.06737, "FDA_Category_D_Weighted_Contribution": 2.0537, "FDA_Category_D_Top_Rank": 0.0604685, "FDA_Category_X_L1000_Similarity": 2.3801, "FDA_Category_X_Structural_Similarity": -0.493344, "FDA_Category_X_Weighted_Contribution": 0.594983, "FDA_Category_X_Top_Rank": 0.104247, "FDA_Category_D_and_X_L1000_Similarity": 0.727266, "FDA_Category_D_and_X_Structural_Similarity": 1.37469, "FDA_Category_D_and_X_Weighted_Contribution": 1.68968, "FDA_Category_D_and_X_Top_Rank": -0.0254507, "Placenta_Crossing_L1000_Similarity": 0.68314, "Placenta_Crossing_Structural_Similarity": 1.15409, "Placenta_Crossing_Weighted_Contribution": 1.404, "Placenta_Crossing_Top_Rank": -0.042446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F", "InChI_key": "MOSKATHMXWSZTQ-UHFFFAOYSA-N" } }, "CID:25147679": { "type": "Drug", "properties": { "id": "CID:25147679", "label": "diarylsulfonesulfonamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25147679", "FDA_Category_D_L1000_Similarity": 0.260801, "FDA_Category_D_Structural_Similarity": -0.422729, "FDA_Category_D_Weighted_Contribution": -0.35103, "FDA_Category_D_Top_Rank": -0.0894037, "FDA_Category_X_L1000_Similarity": 1.0065, "FDA_Category_X_Structural_Similarity": -0.459218, "FDA_Category_X_Weighted_Contribution": -0.0797803, "FDA_Category_X_Top_Rank": -0.0711866, "FDA_Category_D_and_X_L1000_Similarity": 0.530466, "FDA_Category_D_and_X_Structural_Similarity": -0.583317, "FDA_Category_D_and_X_Weighted_Contribution": -0.377894, "FDA_Category_D_and_X_Top_Rank": -0.0851334, "Placenta_Crossing_L1000_Similarity": 0.401172, "Placenta_Crossing_Structural_Similarity": -0.816417, "Placenta_Crossing_Weighted_Contribution": -0.636458, "Placenta_Crossing_Top_Rank": -0.0844775, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25154868": { "type": "Drug", "properties": { "id": "CID:25154868", "label": "pf-750", "lsm": "LSM-6277", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25154868", "FDA_Category_D_L1000_Similarity": 0.277908, "FDA_Category_D_Structural_Similarity": -0.483952, "FDA_Category_D_Weighted_Contribution": -0.393928, "FDA_Category_D_Top_Rank": -0.0891565, "FDA_Category_X_L1000_Similarity": 1.04954, "FDA_Category_X_Structural_Similarity": -0.353992, "FDA_Category_X_Weighted_Contribution": 0.0438763, "FDA_Category_X_Top_Rank": -0.0698971, "FDA_Category_D_and_X_L1000_Similarity": 0.558289, "FDA_Category_D_and_X_Structural_Similarity": -0.575132, "FDA_Category_D_and_X_Weighted_Contribution": -0.358354, "FDA_Category_D_and_X_Top_Rank": -0.0845329, "Placenta_Crossing_L1000_Similarity": 1.2616, "Placenta_Crossing_Structural_Similarity": -0.774268, "Placenta_Crossing_Weighted_Contribution": -0.25294, "Placenta_Crossing_Top_Rank": -0.0583941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4", "InChI_key": "BIODYGOZWZNCAG-UHFFFAOYSA-N" } }, "CID:25226117": { "type": "Drug", "properties": { "id": "CID:25226117", "label": "hg-5-88-01", "lsm": "LSM-5245", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25226117", "FDA_Category_D_L1000_Similarity": 0.95032, "FDA_Category_D_Structural_Similarity": 0.651765, "FDA_Category_D_Weighted_Contribution": 1.12784, "FDA_Category_D_Top_Rank": -0.0657464, "FDA_Category_X_L1000_Similarity": 1.46923, "FDA_Category_X_Structural_Similarity": 1.27634, "FDA_Category_X_Weighted_Contribution": 2.07121, "FDA_Category_X_Top_Rank": -0.023007, "FDA_Category_D_and_X_L1000_Similarity": 1.26537, "FDA_Category_D_and_X_Structural_Similarity": 1.20602, "FDA_Category_D_and_X_Weighted_Contribution": 1.82768, "FDA_Category_D_and_X_Top_Rank": -0.0388167, "Placenta_Crossing_L1000_Similarity": 0.608818, "Placenta_Crossing_Structural_Similarity": 0.077229, "Placenta_Crossing_Weighted_Contribution": 0.229666, "Placenta_Crossing_Top_Rank": -0.0805901, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OC", "InChI_key": "IMEGLYUXMGWVQA-UHFFFAOYSA-N" } }, "CID:26757": { "type": "Drug", "properties": { "id": "CID:26757", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26757", "label": "selegiline", "FDA_Category_D_L1000_Similarity": 1.09127, "FDA_Category_D_Structural_Similarity": -0.704659, "FDA_Category_D_Weighted_Contribution": -0.172888, "FDA_Category_D_Top_Rank": -0.0591961, "FDA_Category_X_L1000_Similarity": 0.675589, "FDA_Category_X_Structural_Similarity": 1.3128, "FDA_Category_X_Weighted_Contribution": 1.67172, "FDA_Category_X_Top_Rank": -0.0196493, "FDA_Category_D_and_X_L1000_Similarity": 1.14585, "FDA_Category_D_and_X_Structural_Similarity": 0.149085, "FDA_Category_D_and_X_Weighted_Contribution": 0.637507, "FDA_Category_D_and_X_Top_Rank": -0.0595772, "Placenta_Crossing_L1000_Similarity": 0.730526, "Placenta_Crossing_Structural_Similarity": 0.591597, "Placenta_Crossing_Weighted_Contribution": 0.82371, "Placenta_Crossing_Top_Rank": -0.0669178, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=CC=C1)N(C)CC#C", "InChI_key": "MEZLKOACVSPNER-GFCCVEGCSA-N" } }, "CID:2688": { "type": "Drug", "properties": { "id": "CID:2688", "label": "cgp-37157", "lsm": "LSM-1484", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2688", "FDA_Category_D_L1000_Similarity": 1.90726, "FDA_Category_D_Structural_Similarity": 1.95993, "FDA_Category_D_Weighted_Contribution": 2.97458, "FDA_Category_D_Top_Rank": 0.122946, "FDA_Category_X_L1000_Similarity": 1.93606, "FDA_Category_X_Structural_Similarity": -0.655317, "FDA_Category_X_Weighted_Contribution": 0.187238, "FDA_Category_X_Top_Rank": 0.000748921, "FDA_Category_D_and_X_L1000_Similarity": 2.23204, "FDA_Category_D_and_X_Structural_Similarity": 1.20201, "FDA_Category_D_and_X_Weighted_Contribution": 2.35702, "FDA_Category_D_and_X_Top_Rank": 0.23671, "Placenta_Crossing_L1000_Similarity": 2.19493, "Placenta_Crossing_Structural_Similarity": -0.975195, "Placenta_Crossing_Weighted_Contribution": -0.00792537, "Placenta_Crossing_Top_Rank": 0.105237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=O)NC2=C(C=C(C=C2)Cl)C(S1)C3=CC=CC=C3Cl", "InChI_key": "KQEPIRKXSUIUTH-UHFFFAOYSA-N" } }, "CID:2689": { "type": "Drug", "properties": { "id": "CID:2689", "label": "cgs-12066b", "lsm": "LSM-2420", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2689", "FDA_Category_D_L1000_Similarity": 0.0624699, "FDA_Category_D_Structural_Similarity": 1.29052, "FDA_Category_D_Weighted_Contribution": 1.25794, "FDA_Category_D_Top_Rank": -0.0349325, "FDA_Category_X_L1000_Similarity": 1.88387, "FDA_Category_X_Structural_Similarity": -0.646956, "FDA_Category_X_Weighted_Contribution": 0.169098, "FDA_Category_X_Top_Rank": -0.00853569, "FDA_Category_D_and_X_L1000_Similarity": 0.625954, "FDA_Category_D_and_X_Structural_Similarity": 0.675209, "FDA_Category_D_and_X_Weighted_Contribution": 0.88439, "FDA_Category_D_and_X_Top_Rank": -0.0680319, "Placenta_Crossing_L1000_Similarity": 0.507773, "Placenta_Crossing_Structural_Similarity": -0.97307, "Placenta_Crossing_Weighted_Contribution": -0.710497, "Placenta_Crossing_Top_Rank": -0.0828331, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4", "InChI_key": "LXFHSCDLMBZYKY-UHFFFAOYSA-N" } }, "CID:2690": { "type": "Drug", "properties": { "id": "CID:2690", "label": "cgs-15943", "lsm": "LSM-3076", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2690", "FDA_Category_D_L1000_Similarity": -1.35994, "FDA_Category_D_Structural_Similarity": -0.720997, "FDA_Category_D_Weighted_Contribution": -1.19074, "FDA_Category_D_Top_Rank": -0.0960115, "FDA_Category_X_L1000_Similarity": -0.405191, "FDA_Category_X_Structural_Similarity": 1.03082, "FDA_Category_X_Weighted_Contribution": 0.73888, "FDA_Category_X_Top_Rank": -0.039312, "FDA_Category_D_and_X_L1000_Similarity": -1.29535, "FDA_Category_D_and_X_Structural_Similarity": -0.0160391, "FDA_Category_D_and_X_Weighted_Contribution": -0.723236, "FDA_Category_D_and_X_Top_Rank": -0.0866331, "Placenta_Crossing_L1000_Similarity": -1.68213, "Placenta_Crossing_Structural_Similarity": -0.601762, "Placenta_Crossing_Weighted_Contribution": -1.15995, "Placenta_Crossing_Top_Rank": -0.0905862, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N", "InChI_key": "MSJODEOZODDVGW-UHFFFAOYSA-N" } }, "CID:26937": { "type": "Drug", "properties": { "id": "CID:26937", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26937", "label": "clobutinol", "FDA_Category_D_L1000_Similarity": 0.450035, "FDA_Category_D_Structural_Similarity": 0.593572, "FDA_Category_D_Weighted_Contribution": 0.746701, "FDA_Category_D_Top_Rank": -0.0675752, "FDA_Category_X_L1000_Similarity": 1.7175, "FDA_Category_X_Structural_Similarity": -0.45736, "FDA_Category_X_Weighted_Contribution": 0.278756, "FDA_Category_X_Top_Rank": -0.0287064, "FDA_Category_D_and_X_L1000_Similarity": 0.90951, "FDA_Category_D_and_X_Structural_Similarity": 0.224336, "FDA_Category_D_and_X_Weighted_Contribution": 0.578179, "FDA_Category_D_and_X_Top_Rank": -0.0736279, "Placenta_Crossing_L1000_Similarity": 0.750842, "Placenta_Crossing_Structural_Similarity": -0.224162, "Placenta_Crossing_Weighted_Contribution": 0.00929159, "Placenta_Crossing_Top_Rank": -0.0776432, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O", "InChI_key": "KVHHQGIIZCJATJ-UHFFFAOYSA-N" } }, "CID:2724385": { "type": "Drug", "properties": { "id": "CID:2724385", "label": "digoxin", "lsm": "LSM-1930", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2724385", "FDA_Category_D_L1000_Similarity": -0.681996, "FDA_Category_D_Structural_Similarity": -0.0450048, "FDA_Category_D_Weighted_Contribution": -0.494184, "FDA_Category_D_Top_Rank": -0.0861524, "FDA_Category_X_L1000_Similarity": -1.93695, "FDA_Category_X_Structural_Similarity": 0.490882, "FDA_Category_X_Weighted_Contribution": -0.544622, "FDA_Category_X_Top_Rank": -0.0623789, "FDA_Category_D_and_X_L1000_Similarity": -1.1761, "FDA_Category_D_and_X_Structural_Similarity": 0.229157, "FDA_Category_D_and_X_Weighted_Contribution": -0.49313, "FDA_Category_D_and_X_Top_Rank": -0.0810605, "Placenta_Crossing_L1000_Similarity": -1.19561, "Placenta_Crossing_Structural_Similarity": -0.187807, "Placenta_Crossing_Weighted_Contribution": -0.765452, "Placenta_Crossing_Top_Rank": -0.0857656, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O", "InChI_key": "LTMHDMANZUZIPE-PUGKRICDSA-N" } }, "CID:2736301": { "type": "Drug", "properties": { "id": "CID:2736301", "label": "tbep", "lsm": "LSM-5611", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2736301", "FDA_Category_D_L1000_Similarity": 1.03489, "FDA_Category_D_Structural_Similarity": 0.376747, "FDA_Category_D_Weighted_Contribution": 0.882137, "FDA_Category_D_Top_Rank": -0.0632817, "FDA_Category_X_L1000_Similarity": -0.0737628, "FDA_Category_X_Structural_Similarity": -0.75009, "FDA_Category_X_Weighted_Contribution": -0.782442, "FDA_Category_X_Top_Rank": -0.0880613, "FDA_Category_D_and_X_L1000_Similarity": 0.869692, "FDA_Category_D_and_X_Structural_Similarity": -0.105717, "FDA_Category_D_and_X_Weighted_Contribution": 0.223666, "FDA_Category_D_and_X_Top_Rank": -0.0753449, "Placenta_Crossing_L1000_Similarity": 0.487119, "Placenta_Crossing_Structural_Similarity": -0.222303, "Placenta_Crossing_Weighted_Contribution": -0.112152, "Placenta_Crossing_Top_Rank": -0.0831925, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+]1=CC=CC=C1Br", "InChI_key": "DHNFNQBENYFUAK-UHFFFAOYSA-N" } }, "CID:2736690": { "type": "Drug", "properties": { "id": "CID:2736690", "label": "ibc-293", "lsm": "LSM-2331", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2736690", "FDA_Category_D_L1000_Similarity": 0.0639502, "FDA_Category_D_Structural_Similarity": -0.244292, "FDA_Category_D_Weighted_Contribution": -0.297145, "FDA_Category_D_Top_Rank": -0.0903594, "FDA_Category_X_L1000_Similarity": 0.159571, "FDA_Category_X_Structural_Similarity": -0.4645, "FDA_Category_X_Weighted_Contribution": -0.466918, "FDA_Category_X_Top_Rank": -0.0863271, "FDA_Category_D_and_X_L1000_Similarity": 0.103584, "FDA_Category_D_and_X_Structural_Similarity": -0.44454, "FDA_Category_D_and_X_Weighted_Contribution": -0.458826, "FDA_Category_D_and_X_Top_Rank": -0.0912794, "Placenta_Crossing_L1000_Similarity": 0.994727, "Placenta_Crossing_Structural_Similarity": -0.714745, "Placenta_Crossing_Weighted_Contribution": -0.317815, "Placenta_Crossing_Top_Rank": -0.070629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=N1", "InChI_key": "RUTVRAJKELSHCC-UHFFFAOYSA-N" } }, "CID:2744062": { "type": "Drug", "properties": { "id": "CID:2744062", "label": "spb02303", "lsm": "LSM-4241", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2744062", "FDA_Category_D_L1000_Similarity": -0.458962, "FDA_Category_D_Structural_Similarity": -0.355432, "FDA_Category_D_Weighted_Contribution": -0.633034, "FDA_Category_D_Top_Rank": -0.0922847, "FDA_Category_X_L1000_Similarity": -1.55122, "FDA_Category_X_Structural_Similarity": 0.0645739, "FDA_Category_X_Weighted_Contribution": -0.72695, "FDA_Category_X_Top_Rank": -0.078147, "FDA_Category_D_and_X_L1000_Similarity": -0.866713, "FDA_Category_D_and_X_Structural_Similarity": -0.247268, "FDA_Category_D_and_X_Weighted_Contribution": -0.716938, "FDA_Category_D_and_X_Top_Rank": -0.0909039, "Placenta_Crossing_L1000_Similarity": -2.04795, "Placenta_Crossing_Structural_Similarity": -0.786113, "Placenta_Crossing_Weighted_Contribution": -1.33286, "Placenta_Crossing_Top_Rank": -0.0916821, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl", "InChI_key": "KTAHAIAPBLGIOT-UHFFFAOYSA-N" } }, "CID:2755": { "type": "Drug", "properties": { "id": "CID:2755", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2755", "label": "cimaterol", "FDA_Category_D_L1000_Similarity": 1.38136, "FDA_Category_D_Structural_Similarity": -0.183061, "FDA_Category_D_Weighted_Contribution": 0.502013, "FDA_Category_D_Top_Rank": -0.0274746, "FDA_Category_X_L1000_Similarity": 0.458821, "FDA_Category_X_Structural_Similarity": 0.311868, "FDA_Category_X_Weighted_Contribution": 0.425936, "FDA_Category_X_Top_Rank": -0.0693034, "FDA_Category_D_and_X_L1000_Similarity": 1.33009, "FDA_Category_D_and_X_Structural_Similarity": 0.022985, "FDA_Category_D_and_X_Weighted_Contribution": 0.613799, "FDA_Category_D_and_X_Top_Rank": -0.0440314, "Placenta_Crossing_L1000_Similarity": 1.39866, "Placenta_Crossing_Structural_Similarity": 6.30902, "Placenta_Crossing_Weighted_Contribution": 4.31472, "Placenta_Crossing_Top_Rank": 2.48014, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O", "InChI_key": "BUXRLJCGHZZYNE-UHFFFAOYSA-N" } }, "CID:2771": { "type": "Drug", "properties": { "id": "CID:2771", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2771", "label": "citalopram", "ref": "LSM-1585", "FDA_Category_D_L1000_Similarity": 2.43244, "FDA_Category_D_Structural_Similarity": -0.0768726, "FDA_Category_D_Weighted_Contribution": 1.2803, "FDA_Category_D_Top_Rank": 0.753938, "FDA_Category_X_L1000_Similarity": 0.199582, "FDA_Category_X_Structural_Similarity": -0.433288, "FDA_Category_X_Weighted_Contribution": -0.423378, "FDA_Category_X_Top_Rank": -0.0859479, "FDA_Category_D_and_X_L1000_Similarity": 2.1574, "FDA_Category_D_and_X_Structural_Similarity": -0.294815, "FDA_Category_D_and_X_Weighted_Contribution": 0.766414, "FDA_Category_D_and_X_Top_Rank": 0.179806, "Placenta_Crossing_L1000_Similarity": 2.20967, "Placenta_Crossing_Structural_Similarity": -0.103191, "Placenta_Crossing_Weighted_Contribution": 0.88313, "Placenta_Crossing_Top_Rank": 0.109934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F", "InChI_key": "WSEQXVZVJXJVFP-UHFFFAOYSA-N" } }, "CID:2780": { "type": "Drug", "properties": { "id": "CID:2780", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2780", "label": "clebopride", "FDA_Category_D_L1000_Similarity": 0.302531, "FDA_Category_D_Structural_Similarity": -0.0845482, "FDA_Category_D_Weighted_Contribution": -0.0276777, "FDA_Category_D_Top_Rank": -0.0871894, "FDA_Category_X_L1000_Similarity": 2.08663, "FDA_Category_X_Structural_Similarity": 0.383141, "FDA_Category_X_Weighted_Contribution": 1.41802, "FDA_Category_X_Top_Rank": 0.0260476, "FDA_Category_D_and_X_L1000_Similarity": 0.894457, "FDA_Category_D_and_X_Structural_Similarity": 0.139634, "FDA_Category_D_and_X_Weighted_Contribution": 0.482559, "FDA_Category_D_and_X_Top_Rank": -0.0743339, "Placenta_Crossing_L1000_Similarity": 0.888384, "Placenta_Crossing_Structural_Similarity": 0.873738, "Placenta_Crossing_Weighted_Contribution": 1.21369, "Placenta_Crossing_Top_Rank": -0.056416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N", "InChI_key": "BVPWJMCABCPUQY-UHFFFAOYSA-N" } }, "CID:2783": { "type": "Drug", "properties": { "id": "CID:2783", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2783", "label": "clenbuterol", "FDA_Category_D_L1000_Similarity": 0.991639, "FDA_Category_D_Structural_Similarity": 0.605691, "FDA_Category_D_Weighted_Contribution": 1.10391, "FDA_Category_D_Top_Rank": -0.0656977, "FDA_Category_X_L1000_Similarity": 0.222084, "FDA_Category_X_Structural_Similarity": 1.08364, "FDA_Category_X_Weighted_Contribution": 1.15272, "FDA_Category_X_Top_Rank": -0.0365192, "FDA_Category_D_and_X_L1000_Similarity": 0.922248, "FDA_Category_D_and_X_Structural_Similarity": 1.06547, "FDA_Category_D_and_X_Weighted_Contribution": 1.47878, "FDA_Category_D_and_X_Top_Rank": -0.0490277, "Placenta_Crossing_L1000_Similarity": 1.06349, "Placenta_Crossing_Structural_Similarity": 3.60525, "Placenta_Crossing_Weighted_Contribution": 3.59685, "Placenta_Crossing_Top_Rank": 0.380857, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O", "InChI_key": "STJMRWALKKWQGH-UHFFFAOYSA-N" } }, "CID:2799": { "type": "Drug", "properties": { "id": "CID:2799", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2799", "label": "clofoctol", "FDA_Category_D_L1000_Similarity": 1.59692, "FDA_Category_D_Structural_Similarity": -0.836936, "FDA_Category_D_Weighted_Contribution": -0.0224422, "FDA_Category_D_Top_Rank": 0.0131106, "FDA_Category_X_L1000_Similarity": 2.16242, "FDA_Category_X_Structural_Similarity": -0.25954, "FDA_Category_X_Weighted_Contribution": 0.732752, "FDA_Category_X_Top_Rank": 0.0424322, "FDA_Category_D_and_X_L1000_Similarity": 2.03325, "FDA_Category_D_and_X_Structural_Similarity": -0.804334, "FDA_Category_D_and_X_Weighted_Contribution": 0.178651, "FDA_Category_D_and_X_Top_Rank": 0.109617, "Placenta_Crossing_L1000_Similarity": 2.50759, "Placenta_Crossing_Structural_Similarity": -0.78549, "Placenta_Crossing_Weighted_Contribution": 0.329625, "Placenta_Crossing_Top_Rank": 0.2857, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl", "InChI_key": "HQVZOORKDNCGCK-UHFFFAOYSA-N" } }, "CID:2809486": { "type": "Drug", "properties": { "id": "CID:2809486", "label": "s-206352", "lsm": "LSM-6661", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2809486", "FDA_Category_D_L1000_Similarity": 1.92106, "FDA_Category_D_Structural_Similarity": -0.840968, "FDA_Category_D_Weighted_Contribution": 0.155791, "FDA_Category_D_Top_Rank": 0.134156, "FDA_Category_X_L1000_Similarity": 0.351586, "FDA_Category_X_Structural_Similarity": -0.544713, "FDA_Category_X_Weighted_Contribution": -0.453509, "FDA_Category_X_Top_Rank": -0.0843725, "FDA_Category_D_and_X_L1000_Similarity": 1.76276, "FDA_Category_D_and_X_Structural_Similarity": -0.961413, "FDA_Category_D_and_X_Weighted_Contribution": -0.109372, "FDA_Category_D_and_X_Top_Rank": 0.0262775, "Placenta_Crossing_L1000_Similarity": 1.59438, "Placenta_Crossing_Structural_Similarity": -0.195876, "Placenta_Crossing_Weighted_Contribution": 0.457776, "Placenta_Crossing_Top_Rank": -0.0295233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=CC=CS4", "InChI_key": "VDOKGDMLRMELRV-UHFFFAOYSA-N" } }, "CID:2812": { "type": "Drug", "properties": { "id": "CID:2812", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2812", "label": "clotrimazole", "FDA_Category_D_L1000_Similarity": -0.53865, "FDA_Category_D_Structural_Similarity": 1.47353, "FDA_Category_D_Weighted_Contribution": 1.07301, "FDA_Category_D_Top_Rank": -0.0199089, "FDA_Category_X_L1000_Similarity": 0.157456, "FDA_Category_X_Structural_Similarity": -0.720588, "FDA_Category_X_Weighted_Contribution": -0.674009, "FDA_Category_X_Top_Rank": -0.0863545, "FDA_Category_D_and_X_L1000_Similarity": -0.416511, "FDA_Category_D_and_X_Structural_Similarity": 0.780736, "FDA_Category_D_and_X_Weighted_Contribution": 0.387579, "FDA_Category_D_and_X_Top_Rank": -0.0641417, "Placenta_Crossing_L1000_Similarity": 0.721847, "Placenta_Crossing_Structural_Similarity": -0.884261, "Placenta_Crossing_Weighted_Contribution": -0.565419, "Placenta_Crossing_Top_Rank": -0.0783674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4", "InChI_key": "VNFPBHJOKIVQEB-UHFFFAOYSA-N" } }, "CID:2817908": { "type": "Drug", "properties": { "id": "CID:2817908", "label": "jfd02227", "lsm": "LSM-5322", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2817908", "FDA_Category_D_L1000_Similarity": -0.0846397, "FDA_Category_D_Structural_Similarity": -0.795458, "FDA_Category_D_Weighted_Contribution": -0.791184, "FDA_Category_D_Top_Rank": -0.0928902, "FDA_Category_X_L1000_Similarity": 2.45886, "FDA_Category_X_Structural_Similarity": -0.359584, "FDA_Category_X_Weighted_Contribution": 0.786558, "FDA_Category_X_Top_Rank": 0.136636, "FDA_Category_D_and_X_L1000_Similarity": 0.673746, "FDA_Category_D_and_X_Structural_Similarity": -0.825396, "FDA_Category_D_and_X_Weighted_Contribution": -0.506806, "FDA_Category_D_and_X_Top_Rank": -0.0818555, "Placenta_Crossing_L1000_Similarity": 1.11589, "Placenta_Crossing_Structural_Similarity": -0.25164, "Placenta_Crossing_Weighted_Contribution": 0.159648, "Placenta_Crossing_Top_Rank": -0.0660952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=NC(=C1)CNC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2", "InChI_key": "WYPFLPTXLQEBSV-UHFFFAOYSA-N" } }, "CID:2853908": { "type": "Drug", "properties": { "id": "CID:2853908", "label": "sa-3676", "lsm": "LSM-6366", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2853908", "FDA_Category_D_L1000_Similarity": -1.06375, "FDA_Category_D_Structural_Similarity": -0.89436, "FDA_Category_D_Weighted_Contribution": -1.1907, "FDA_Category_D_Top_Rank": -0.096379, "FDA_Category_X_L1000_Similarity": -1.95457, "FDA_Category_X_Structural_Similarity": -0.73168, "FDA_Category_X_Weighted_Contribution": -1.33298, "FDA_Category_X_Top_Rank": -0.0920701, "FDA_Category_D_and_X_L1000_Similarity": -1.51053, "FDA_Category_D_and_X_Structural_Similarity": -1.10468, "FDA_Category_D_and_X_Weighted_Contribution": -1.37378, "FDA_Category_D_and_X_Top_Rank": -0.0966661, "Placenta_Crossing_L1000_Similarity": -1.89243, "Placenta_Crossing_Structural_Similarity": -1.08382, "Placenta_Crossing_Weighted_Contribution": -1.42072, "Placenta_Crossing_Top_Rank": -0.0923679, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2C(C(=NC2NC3=CC=CC=C31)OC)C4=CC=CC=C4", "InChI_key": "ASCBUEVCEVGOFP-UHFFFAOYSA-N" } }, "CID:2907": { "type": "Drug", "properties": { "id": "CID:2907", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2907", "label": "cyclophosphamide", "ref": "LSM-4961", "FDA_Category_D_L1000_Similarity": 1.12896, "FDA_Category_D_Structural_Similarity": 3.2275, "FDA_Category_D_Weighted_Contribution": 3.52157, "FDA_Category_D_Top_Rank": 0.279693, "FDA_Category_X_L1000_Similarity": 0.952084, "FDA_Category_X_Structural_Similarity": -0.738056, "FDA_Category_X_Weighted_Contribution": -0.361117, "FDA_Category_X_Top_Rank": -0.0728608, "FDA_Category_D_and_X_L1000_Similarity": 1.2623, "FDA_Category_D_and_X_Structural_Similarity": 2.16346, "FDA_Category_D_and_X_Weighted_Contribution": 2.72513, "FDA_Category_D_and_X_Top_Rank": 0.0560105, "Placenta_Crossing_L1000_Similarity": 2.38269, "Placenta_Crossing_Structural_Similarity": -1.09362, "Placenta_Crossing_Weighted_Contribution": -0.0294522, "Placenta_Crossing_Top_Rank": 0.207593, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1CNP(=O)(OC1)N(CCCl)CCCl", "InChI_key": "CMSMOCZEIVJLDB-UHFFFAOYSA-N" } }, "CID:2936384": { "type": "Drug", "properties": { "id": "CID:2936384", "label": "brd-k42629487", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2936384", "FDA_Category_D_L1000_Similarity": -0.919433, "FDA_Category_D_Structural_Similarity": 1.26324, "FDA_Category_D_Weighted_Contribution": 0.605908, "FDA_Category_D_Top_Rank": -0.036592, "FDA_Category_X_L1000_Similarity": 1.11142, "FDA_Category_X_Structural_Similarity": -0.636469, "FDA_Category_X_Weighted_Contribution": -0.197482, "FDA_Category_X_Top_Rank": -0.0676526, "FDA_Category_D_and_X_L1000_Similarity": -0.455049, "FDA_Category_D_and_X_Structural_Similarity": 0.659218, "FDA_Category_D_and_X_Weighted_Contribution": 0.245493, "FDA_Category_D_and_X_Top_Rank": -0.0687019, "Placenta_Crossing_L1000_Similarity": -0.0272652, "Placenta_Crossing_Structural_Similarity": 1.34259, "Placenta_Crossing_Weighted_Contribution": 1.21838, "Placenta_Crossing_Top_Rank": -0.0304717, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O", "InChI_key": "PMEQBGAGFZDWQX-UHFFFAOYSA-N" } }, "CID:2941": { "type": "Drug", "properties": { "id": "CID:2941", "label": "bml-st330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2941", "FDA_Category_D_L1000_Similarity": 2.47436, "FDA_Category_D_Structural_Similarity": -0.162659, "FDA_Category_D_Weighted_Contribution": 1.21326, "FDA_Category_D_Top_Rank": 0.886931, "FDA_Category_X_L1000_Similarity": 2.34347, "FDA_Category_X_Structural_Similarity": 2.99436, "FDA_Category_X_Weighted_Contribution": 3.82899, "FDA_Category_X_Top_Rank": 0.21895, "FDA_Category_D_and_X_L1000_Similarity": 2.84461, "FDA_Category_D_and_X_Structural_Similarity": 1.48664, "FDA_Category_D_and_X_Weighted_Contribution": 2.89337, "FDA_Category_D_and_X_Top_Rank": 1.20192, "Placenta_Crossing_L1000_Similarity": 2.94023, "Placenta_Crossing_Structural_Similarity": 1.18512, "Placenta_Crossing_Weighted_Contribution": 2.58319, "Placenta_Crossing_Top_Rank": 0.868598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2C(C1)C3CC2CC3OC(=S)S", "InChI_key": "PWLXJBSAUKKGCM-UHFFFAOYSA-N" } }, "CID:3001077": { "type": "Drug", "properties": { "id": "CID:3001077", "label": "fusidic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3001077", "FDA_Category_D_L1000_Similarity": 0.505816, "FDA_Category_D_Structural_Similarity": 1.47804, "FDA_Category_D_Weighted_Contribution": 1.74323, "FDA_Category_D_Top_Rank": -0.0194237, "FDA_Category_X_L1000_Similarity": 0.92036, "FDA_Category_X_Structural_Similarity": 0.734531, "FDA_Category_X_Weighted_Contribution": 1.15307, "FDA_Category_X_Top_Rank": -0.0525363, "FDA_Category_D_and_X_L1000_Similarity": 0.715524, "FDA_Category_D_and_X_Structural_Similarity": 1.56949, "FDA_Category_D_and_X_Weighted_Contribution": 1.88434, "FDA_Category_D_and_X_Top_Rank": -0.00860501, "Placenta_Crossing_L1000_Similarity": 0.439798, "Placenta_Crossing_Structural_Similarity": 0.622439, "Placenta_Crossing_Weighted_Contribution": 0.699905, "Placenta_Crossing_Top_Rank": -0.0658244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:300471": { "type": "Drug", "properties": { "id": "CID:300471", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID300471", "label": "elesclomol", "FDA_Category_D_L1000_Similarity": -1.61616, "FDA_Category_D_Structural_Similarity": 1.63207, "FDA_Category_D_Weighted_Contribution": 0.564636, "FDA_Category_D_Top_Rank": -0.00221131, "FDA_Category_X_L1000_Similarity": -1.85518, "FDA_Category_X_Structural_Similarity": -0.685481, "FDA_Category_X_Weighted_Contribution": -1.28625, "FDA_Category_X_Top_Rank": -0.0918378, "FDA_Category_D_and_X_L1000_Similarity": -1.95655, "FDA_Category_D_and_X_Structural_Similarity": 0.925515, "FDA_Category_D_and_X_Weighted_Contribution": -0.282293, "FDA_Category_D_and_X_Top_Rank": -0.0567006, "Placenta_Crossing_L1000_Similarity": -1.03467, "Placenta_Crossing_Structural_Similarity": -0.984284, "Placenta_Crossing_Weighted_Contribution": -1.18724, "Placenta_Crossing_Top_Rank": -0.091866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2", "InChI_key": "BKJIXTWSNXCKJH-UHFFFAOYSA-N" } }, "CID:3005573": { "type": "Drug", "properties": { "id": "CID:3005573", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3005573", "label": "toremifene", "FDA_Category_D_L1000_Similarity": -1.51562, "FDA_Category_D_Structural_Similarity": 2.35223, "FDA_Category_D_Weighted_Contribution": 1.40844, "FDA_Category_D_Top_Rank": 0.109549, "FDA_Category_X_L1000_Similarity": 2.08951, "FDA_Category_X_Structural_Similarity": 2.11626, "FDA_Category_X_Weighted_Contribution": 3.1687, "FDA_Category_X_Top_Rank": 0.0546919, "FDA_Category_D_and_X_L1000_Similarity": -0.67194, "FDA_Category_D_and_X_Structural_Similarity": 3.00892, "FDA_Category_D_and_X_Weighted_Contribution": 2.51999, "FDA_Category_D_and_X_Top_Rank": 0.214185, "Placenta_Crossing_L1000_Similarity": -1.6986, "Placenta_Crossing_Structural_Similarity": 1.10771, "Placenta_Crossing_Weighted_Contribution": 0.0937206, "Placenta_Crossing_Top_Rank": -0.0451357, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "XFCLJVABOIYOMF-QPLCGJKRSA-N" } }, "CID:3035746": { "type": "Drug", "properties": { "id": "CID:3035746", "label": "iodophenpropit", "lsm": "LSM-3151", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3035746", "FDA_Category_D_L1000_Similarity": -2.44987, "FDA_Category_D_Structural_Similarity": -0.365139, "FDA_Category_D_Weighted_Contribution": -1.3243, "FDA_Category_D_Top_Rank": -0.0924262, "FDA_Category_X_L1000_Similarity": 2.0194, "FDA_Category_X_Structural_Similarity": -0.411709, "FDA_Category_X_Weighted_Contribution": 0.48753, "FDA_Category_X_Top_Rank": 0.0147038, "FDA_Category_D_and_X_L1000_Similarity": -1.49858, "FDA_Category_D_and_X_Structural_Similarity": -0.511972, "FDA_Category_D_and_X_Weighted_Contribution": -1.09694, "FDA_Category_D_and_X_Top_Rank": -0.0940952, "Placenta_Crossing_L1000_Similarity": -2.13712, "Placenta_Crossing_Structural_Similarity": -0.63134, "Placenta_Crossing_Weighted_Contribution": -1.28497, "Placenta_Crossing_Top_Rank": -0.0907782, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I", "InChI_key": "UBHYDQAARZKHEZ-UHFFFAOYSA-N" } }, "CID:3036703": { "type": "Drug", "properties": { "id": "CID:3036703", "label": "zosuquidar", "lsm": "LSM-5782", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3036703", "FDA_Category_D_L1000_Similarity": -0.545096, "FDA_Category_D_Structural_Similarity": 0.954673, "FDA_Category_D_Weighted_Contribution": 0.512055, "FDA_Category_D_Top_Rank": -0.0525826, "FDA_Category_X_L1000_Similarity": 0.336908, "FDA_Category_X_Structural_Similarity": 0.751987, "FDA_Category_X_Weighted_Contribution": 0.842236, "FDA_Category_X_Top_Rank": -0.0516829, "FDA_Category_D_and_X_L1000_Similarity": -0.36757, "FDA_Category_D_and_X_Structural_Similarity": 1.16351, "FDA_Category_D_and_X_Weighted_Contribution": 0.811674, "FDA_Category_D_and_X_Top_Rank": -0.0416331, "Placenta_Crossing_L1000_Similarity": -1.1218, "Placenta_Crossing_Structural_Similarity": 1.11423, "Placenta_Crossing_Weighted_Contribution": 0.388641, "Placenta_Crossing_Top_Rank": -0.0448204, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "O[C@@H](COc1cccc2ncccc12)CN3CCN(CC3)[C@H]4c5ccccc5[C@H]6[C@@H](c7ccccc47)C6(F)F", "InChI_key": "IHOVFYSQUDPMCN-DBEBIPAYSA-N" } }, "CID:3038485": { "type": "Drug", "properties": { "id": "CID:3038485", "label": "AZD-6765", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3038485", "FDA_Category_D_L1000_Similarity": 0.41724, "FDA_Category_D_Structural_Similarity": -0.954327, "FDA_Category_D_Weighted_Contribution": -0.696105, "FDA_Category_D_Top_Rank": -0.0868827, "FDA_Category_X_L1000_Similarity": 0.73154, "FDA_Category_X_Structural_Similarity": -0.766055, "FDA_Category_X_Weighted_Contribution": -0.479807, "FDA_Category_X_Top_Rank": -0.0784467, "FDA_Category_D_and_X_L1000_Similarity": 0.581822, "FDA_Category_D_and_X_Structural_Similarity": -1.17082, "FDA_Category_D_and_X_Weighted_Contribution": -0.793014, "FDA_Category_D_and_X_Top_Rank": -0.0839418, "Placenta_Crossing_L1000_Similarity": 0.336905, "Placenta_Crossing_Structural_Similarity": -1.1125, "Placenta_Crossing_Weighted_Contribution": -0.863457, "Placenta_Crossing_Top_Rank": -0.0852516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3052776": { "type": "Drug", "properties": { "id": "CID:3052776", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3052776", "label": "rasagiline", "FDA_Category_D_L1000_Similarity": 2.07624, "FDA_Category_D_Structural_Similarity": 1.59926, "FDA_Category_D_Weighted_Contribution": 2.75935, "FDA_Category_D_Top_Rank": 0.251335, "FDA_Category_X_L1000_Similarity": 2.91716, "FDA_Category_X_Structural_Similarity": 0.339526, "FDA_Category_X_Weighted_Contribution": 1.83804, "FDA_Category_X_Top_Rank": 0.438592, "FDA_Category_D_and_X_L1000_Similarity": 2.67563, "FDA_Category_D_and_X_Structural_Similarity": 1.45256, "FDA_Category_D_and_X_Weighted_Contribution": 2.79167, "FDA_Category_D_and_X_Top_Rank": 0.780316, "Placenta_Crossing_L1000_Similarity": 1.81651, "Placenta_Crossing_Structural_Similarity": -0.664532, "Placenta_Crossing_Weighted_Contribution": 0.104241, "Placenta_Crossing_Top_Rank": 0.00326446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C#CCNC1CCC2=CC=CC=C12", "InChI_key": "RUOKEQAAGRXIBM-GFCCVEGCSA-N" } }, "CID:3081027": { "type": "Drug", "properties": { "id": "CID:3081027", "label": "OCO-1112", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3081027", "FDA_Category_D_L1000_Similarity": 0.541219, "FDA_Category_D_Structural_Similarity": -0.393421, "FDA_Category_D_Weighted_Contribution": -0.182628, "FDA_Category_D_Top_Rank": -0.0842049, "FDA_Category_X_L1000_Similarity": 0.820567, "FDA_Category_X_Structural_Similarity": -0.284023, "FDA_Category_X_Weighted_Contribution": -9.32865e-05, "FDA_Category_X_Top_Rank": -0.0764137, "FDA_Category_D_and_X_L1000_Similarity": 0.715729, "FDA_Category_D_and_X_Structural_Similarity": -0.465521, "FDA_Category_D_and_X_Weighted_Contribution": -0.190096, "FDA_Category_D_and_X_Top_Rank": -0.0807706, "Placenta_Crossing_L1000_Similarity": 1.18943, "Placenta_Crossing_Structural_Similarity": 0.447678, "Placenta_Crossing_Weighted_Contribution": 0.918826, "Placenta_Crossing_Top_Rank": -0.0623952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3105": { "type": "Drug", "properties": { "id": "CID:3105", "label": "dipivefrin", "lsm": "LSM-1583", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3105", "FDA_Category_D_L1000_Similarity": 0.338555, "FDA_Category_D_Structural_Similarity": -0.117315, "FDA_Category_D_Weighted_Contribution": -0.0385961, "FDA_Category_D_Top_Rank": -0.0879361, "FDA_Category_X_L1000_Similarity": 0.487623, "FDA_Category_X_Structural_Similarity": 0.00276294, "FDA_Category_X_Weighted_Contribution": 0.119434, "FDA_Category_X_Top_Rank": -0.0796902, "FDA_Category_D_and_X_L1000_Similarity": 0.439917, "FDA_Category_D_and_X_Structural_Similarity": -0.0916233, "FDA_Category_D_and_X_Weighted_Contribution": 0.00769883, "FDA_Category_D_and_X_Top_Rank": -0.0868461, "Placenta_Crossing_L1000_Similarity": 1.43188, "Placenta_Crossing_Structural_Similarity": 2.35968, "Placenta_Crossing_Weighted_Contribution": 2.92456, "Placenta_Crossing_Top_Rank": 0.0714161, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C", "InChI_key": "OCUJLLGVOUDECM-UHFFFAOYSA-N" } }, "CID:3117": { "type": "Drug", "properties": { "id": "CID:3117", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3117", "label": "disulfiram", "FDA_Category_D_L1000_Similarity": -0.831347, "FDA_Category_D_Structural_Similarity": -0.351427, "FDA_Category_D_Weighted_Contribution": -0.786538, "FDA_Category_D_Top_Rank": -0.0922249, "FDA_Category_X_L1000_Similarity": -1.58243, "FDA_Category_X_Structural_Similarity": -0.0706139, "FDA_Category_X_Weighted_Contribution": -0.836375, "FDA_Category_X_Top_Rank": -0.0814594, "FDA_Category_D_and_X_L1000_Similarity": -1.19719, "FDA_Category_D_and_X_Structural_Similarity": -0.317035, "FDA_Category_D_and_X_Weighted_Contribution": -0.885883, "FDA_Category_D_and_X_Top_Rank": -0.0919327, "Placenta_Crossing_L1000_Similarity": -1.85647, "Placenta_Crossing_Structural_Similarity": -0.959735, "Placenta_Crossing_Weighted_Contribution": -1.36473, "Placenta_Crossing_Top_Rank": -0.0923461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "InChI_key": "AUZONCFQVSMFAP-UHFFFAOYSA-N" } }, "CID:3156173": { "type": "Drug", "properties": { "id": "CID:3156173", "label": "ST-014366", "lsm": "LSM-4898", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3156173", "FDA_Category_D_L1000_Similarity": 1.26765, "FDA_Category_D_Structural_Similarity": -0.307773, "FDA_Category_D_Weighted_Contribution": 0.305616, "FDA_Category_D_Top_Rank": -0.0416502, "FDA_Category_X_L1000_Similarity": 0.0283263, "FDA_Category_X_Structural_Similarity": -0.667306, "FDA_Category_X_Weighted_Contribution": -0.682694, "FDA_Category_X_Top_Rank": -0.0874139, "FDA_Category_D_and_X_L1000_Similarity": 1.10132, "FDA_Category_D_and_X_Structural_Similarity": -0.604359, "FDA_Category_D_and_X_Weighted_Contribution": -0.121672, "FDA_Category_D_and_X_Top_Rank": -0.0626361, "Placenta_Crossing_L1000_Similarity": 1.10672, "Placenta_Crossing_Structural_Similarity": 0.208493, "Placenta_Crossing_Weighted_Contribution": 0.620422, "Placenta_Crossing_Top_Rank": -0.0663427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3162": { "type": "Drug", "properties": { "id": "CID:3162", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3162", "label": "doxylamine", "ref": "LSM-1563", "FDA_Category_D_L1000_Similarity": 1.57274, "FDA_Category_D_Structural_Similarity": -0.529984, "FDA_Category_D_Weighted_Contribution": 0.261814, "FDA_Category_D_Top_Rank": 0.00772486, "FDA_Category_X_L1000_Similarity": 1.60196, "FDA_Category_X_Structural_Similarity": -0.697409, "FDA_Category_X_Weighted_Contribution": -0.0219607, "FDA_Category_X_Top_Rank": -0.0392485, "FDA_Category_D_and_X_L1000_Similarity": 1.84221, "FDA_Category_D_and_X_Structural_Similarity": -0.796974, "FDA_Category_D_and_X_Weighted_Contribution": 0.0833107, "FDA_Category_D_and_X_Top_Rank": 0.0419527, "Placenta_Crossing_L1000_Similarity": 1.9551, "Placenta_Crossing_Structural_Similarity": -0.725661, "Placenta_Crossing_Weighted_Contribution": 0.113043, "Placenta_Crossing_Top_Rank": 0.0337416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C", "InChI_key": "HCFDWZZGGLSKEP-UHFFFAOYSA-N" } }, "CID:3182": { "type": "Drug", "properties": { "id": "CID:3182", "label": "dyphylline", "lsm": "LSM-4299", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3182", "FDA_Category_D_L1000_Similarity": -0.022292, "FDA_Category_D_Structural_Similarity": 1.14219, "FDA_Category_D_Weighted_Contribution": 1.04136, "FDA_Category_D_Top_Rank": -0.0434397, "FDA_Category_X_L1000_Similarity": 0.73223, "FDA_Category_X_Structural_Similarity": 1.43939, "FDA_Category_X_Weighted_Contribution": 1.84528, "FDA_Category_X_Top_Rank": -0.0128876, "FDA_Category_D_and_X_L1000_Similarity": 0.203141, "FDA_Category_D_and_X_Structural_Similarity": 1.68326, "FDA_Category_D_and_X_Weighted_Contribution": 1.70511, "FDA_Category_D_and_X_Top_Rank": 0.00250535, "Placenta_Crossing_L1000_Similarity": 0.736019, "Placenta_Crossing_Structural_Similarity": 2.38327, "Placenta_Crossing_Weighted_Contribution": 2.6533, "Placenta_Crossing_Top_Rank": 0.074119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O", "InChI_key": "KSCFJBIXMNOVSH-UHFFFAOYSA-N" } }, "CID:32170": { "type": "Drug", "properties": { "id": "CID:32170", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID32170", "label": "articaine", "FDA_Category_D_L1000_Similarity": 0.648682, "FDA_Category_D_Structural_Similarity": -0.936803, "FDA_Category_D_Weighted_Contribution": -0.582162, "FDA_Category_D_Top_Rank": -0.0811974, "FDA_Category_X_L1000_Similarity": 0.648159, "FDA_Category_X_Structural_Similarity": -0.730629, "FDA_Category_X_Weighted_Contribution": -0.48508, "FDA_Category_X_Top_Rank": -0.0802225, "FDA_Category_D_and_X_L1000_Similarity": 0.756014, "FDA_Category_D_and_X_Structural_Similarity": -1.1378, "FDA_Category_D_and_X_Weighted_Contribution": -0.703559, "FDA_Category_D_and_X_Top_Rank": -0.0793263, "Placenta_Crossing_L1000_Similarity": 1.43808, "Placenta_Crossing_Structural_Similarity": -0.570079, "Placenta_Crossing_Weighted_Contribution": 0.0118435, "Placenta_Crossing_Top_Rank": -0.0453439, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC", "InChI_key": "QTGIAADRBBLJGA-UHFFFAOYSA-N" } }, "CID:32334": { "type": "Drug", "properties": { "id": "CID:32334", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID32334", "label": "Beta-alanine", "FDA_Category_D_L1000_Similarity": 1.10076, "FDA_Category_D_Structural_Similarity": 0.297375, "FDA_Category_D_Weighted_Contribution": 0.838014, "FDA_Category_D_Top_Rank": -0.058164, "FDA_Category_X_L1000_Similarity": 0.3895, "FDA_Category_X_Structural_Similarity": 0.30048, "FDA_Category_X_Weighted_Contribution": 0.376871, "FDA_Category_X_Top_Rank": -0.0698242, "FDA_Category_D_and_X_L1000_Similarity": 1.06715, "FDA_Category_D_and_X_Structural_Similarity": 0.398168, "FDA_Category_D_and_X_Weighted_Contribution": 0.85286, "FDA_Category_D_and_X_Top_Rank": -0.0650177, "Placenta_Crossing_L1000_Similarity": 0.610527, "Placenta_Crossing_Structural_Similarity": 0.0456997, "Placenta_Crossing_Weighted_Contribution": 0.199567, "Placenta_Crossing_Top_Rank": -0.0808195, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3241": { "type": "Drug", "properties": { "id": "CID:3241", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3241", "label": "epinastine", "FDA_Category_D_L1000_Similarity": -0.133324, "FDA_Category_D_Structural_Similarity": -0.585025, "FDA_Category_D_Weighted_Contribution": -0.661886, "FDA_Category_D_Top_Rank": -0.0932667, "FDA_Category_X_L1000_Similarity": -0.6519, "FDA_Category_X_Structural_Similarity": -0.612421, "FDA_Category_X_Weighted_Contribution": -0.889133, "FDA_Category_X_Top_Rank": -0.0905152, "FDA_Category_D_and_X_L1000_Similarity": -0.3129, "FDA_Category_D_and_X_Structural_Similarity": -0.794802, "FDA_Category_D_and_X_Weighted_Contribution": -0.874575, "FDA_Category_D_and_X_Top_Rank": -0.0942729, "Placenta_Crossing_L1000_Similarity": 0.0381521, "Placenta_Crossing_Structural_Similarity": -0.651871, "Placenta_Crossing_Weighted_Contribution": -0.650842, "Placenta_Crossing_Top_Rank": -0.0880591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N", "InChI_key": "WHWZLSFABNNENI-UHFFFAOYSA-N" } }, "CID:3307": { "type": "Drug", "properties": { "id": "CID:3307", "label": "etizolam", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3307", "FDA_Category_D_L1000_Similarity": 0.786079, "FDA_Category_D_Structural_Similarity": 1.82075, "FDA_Category_D_Weighted_Contribution": 2.26572, "FDA_Category_D_Top_Rank": 0.021162, "FDA_Category_X_L1000_Similarity": -0.0969091, "FDA_Category_X_Structural_Similarity": -0.243928, "FDA_Category_X_Weighted_Contribution": -0.388001, "FDA_Category_X_Top_Rank": -0.0854139, "FDA_Category_D_and_X_L1000_Similarity": 0.648183, "FDA_Category_D_and_X_Structural_Similarity": 1.31353, "FDA_Category_D_and_X_Weighted_Contribution": 1.57882, "FDA_Category_D_and_X_Top_Rank": -0.0300846, "Placenta_Crossing_L1000_Similarity": 0.859625, "Placenta_Crossing_Structural_Similarity": 0.0611551, "Placenta_Crossing_Weighted_Contribution": 0.340295, "Placenta_Crossing_Top_Rank": -0.0746807, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C", "InChI_key": "VMZUTJCNQWMAGF-UHFFFAOYSA-N" } }, "CID:3316": { "type": "Drug", "properties": { "id": "CID:3316", "label": "exalamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3316", "FDA_Category_D_L1000_Similarity": 0.441558, "FDA_Category_D_Structural_Similarity": -0.492258, "FDA_Category_D_Weighted_Contribution": -0.320176, "FDA_Category_D_Top_Rank": -0.086429, "FDA_Category_X_L1000_Similarity": 3.12948, "FDA_Category_X_Structural_Similarity": -0.476962, "FDA_Category_X_Weighted_Contribution": 1.03245, "FDA_Category_X_Top_Rank": 0.820545, "FDA_Category_D_and_X_L1000_Similarity": 1.331, "FDA_Category_D_and_X_Structural_Similarity": -0.648079, "FDA_Category_D_and_X_Weighted_Contribution": -0.0447576, "FDA_Category_D_and_X_Top_Rank": -0.0439099, "Placenta_Crossing_L1000_Similarity": 1.62142, "Placenta_Crossing_Structural_Similarity": 1.01681, "Placenta_Crossing_Weighted_Contribution": 1.76488, "Placenta_Crossing_Top_Rank": -0.0265121, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3325": { "type": "Drug", "properties": { "id": "CID:3325", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3325", "label": "famotidine", "FDA_Category_D_L1000_Similarity": 1.37871, "FDA_Category_D_Structural_Similarity": 2.07524, "FDA_Category_D_Weighted_Contribution": 2.81666, "FDA_Category_D_Top_Rank": 0.0623544, "FDA_Category_X_L1000_Similarity": 0.298394, "FDA_Category_X_Structural_Similarity": -0.734975, "FDA_Category_X_Weighted_Contribution": -0.630437, "FDA_Category_X_Top_Rank": -0.0849562, "FDA_Category_D_and_X_L1000_Similarity": 1.27909, "FDA_Category_D_and_X_Structural_Similarity": 1.25055, "FDA_Category_D_and_X_Weighted_Contribution": 1.88125, "FDA_Category_D_and_X_Top_Rank": -0.0354125, "Placenta_Crossing_L1000_Similarity": 2.48106, "Placenta_Crossing_Structural_Similarity": -0.286904, "Placenta_Crossing_Weighted_Contribution": 0.833911, "Placenta_Crossing_Top_Rank": 0.270026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N", "InChI_key": "XUFQPHANEAPEMJ-UHFFFAOYSA-N" } }, "CID:3326": { "type": "Drug", "properties": { "id": "CID:3326", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3326", "label": "Famprofazone", "FDA_Category_D_L1000_Similarity": -0.509443, "FDA_Category_D_Structural_Similarity": -0.677618, "FDA_Category_D_Weighted_Contribution": -0.878527, "FDA_Category_D_Top_Rank": -0.095166, "FDA_Category_X_L1000_Similarity": 0.844739, "FDA_Category_X_Structural_Similarity": -0.587921, "FDA_Category_X_Weighted_Contribution": -0.275224, "FDA_Category_X_Top_Rank": -0.075815, "FDA_Category_D_and_X_L1000_Similarity": -0.182612, "FDA_Category_D_and_X_Structural_Similarity": -0.855074, "FDA_Category_D_and_X_Weighted_Contribution": -0.866477, "FDA_Category_D_and_X_Top_Rank": -0.0935493, "Placenta_Crossing_L1000_Similarity": 0.482438, "Placenta_Crossing_Structural_Similarity": 0.573918, "Placenta_Crossing_Weighted_Contribution": 0.671562, "Placenta_Crossing_Top_Rank": -0.0674902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3329": { "type": "Drug", "properties": { "id": "CID:3329", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3329", "label": "Faropenem", "FDA_Category_D_L1000_Similarity": 0.666947, "FDA_Category_D_Structural_Similarity": 0.0116817, "FDA_Category_D_Weighted_Contribution": 0.273092, "FDA_Category_D_Top_Rank": -0.0807005, "FDA_Category_X_L1000_Similarity": -0.345832, "FDA_Category_X_Structural_Similarity": -0.584563, "FDA_Category_X_Weighted_Contribution": -0.760997, "FDA_Category_X_Top_Rank": -0.0894725, "FDA_Category_D_and_X_L1000_Similarity": 0.469897, "FDA_Category_D_and_X_Structural_Similarity": -0.306156, "FDA_Category_D_and_X_Weighted_Contribution": -0.171163, "FDA_Category_D_and_X_Top_Rank": -0.0862393, "Placenta_Crossing_L1000_Similarity": 1.2688, "Placenta_Crossing_Structural_Similarity": 1.60553, "Placenta_Crossing_Weighted_Contribution": 2.18251, "Placenta_Crossing_Top_Rank": -0.0122406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3332": { "type": "Drug", "properties": { "id": "CID:3332", "label": "felbinac", "lsm": "LSM-5965", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3332", "IDG_ID": "1141", "FDA_Category_D_L1000_Similarity": -0.426364, "FDA_Category_D_Structural_Similarity": 1.01685, "FDA_Category_D_Weighted_Contribution": 0.650744, "FDA_Category_D_Top_Rank": -0.0496147, "FDA_Category_X_L1000_Similarity": 1.25343, "FDA_Category_X_Structural_Similarity": -0.695707, "FDA_Category_X_Weighted_Contribution": -0.186501, "FDA_Category_X_Top_Rank": -0.0616152, "FDA_Category_D_and_X_L1000_Similarity": 0.0131135, "FDA_Category_D_and_X_Structural_Similarity": 0.431683, "FDA_Category_D_and_X_Weighted_Contribution": 0.279801, "FDA_Category_D_and_X_Top_Rank": -0.0759206, "Placenta_Crossing_L1000_Similarity": 1.27224, "Placenta_Crossing_Structural_Similarity": 1.00223, "Placenta_Crossing_Weighted_Contribution": 1.56176, "Placenta_Crossing_Top_Rank": -0.0499366, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O", "InChI_key": "QRZAKQDHEVVFRX-UHFFFAOYSA-N" } }, "CID:3343": { "type": "Drug", "properties": { "id": "CID:3343", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3343", "label": "fenoterol", "ref": "LSM-1948", "FDA_Category_D_L1000_Similarity": 1.49093, "FDA_Category_D_Structural_Similarity": -0.490063, "FDA_Category_D_Weighted_Contribution": 0.253827, "FDA_Category_D_Top_Rank": -0.0105128, "FDA_Category_X_L1000_Similarity": 0.718941, "FDA_Category_X_Structural_Similarity": 1.37927, "FDA_Category_X_Weighted_Contribution": 1.77078, "FDA_Category_X_Top_Rank": -0.0159765, "FDA_Category_D_and_X_L1000_Similarity": 1.50354, "FDA_Category_D_and_X_Structural_Similarity": 0.355278, "FDA_Category_D_and_X_Weighted_Contribution": 1.06783, "FDA_Category_D_and_X_Top_Rank": -0.023406, "Placenta_Crossing_L1000_Similarity": 1.45364, "Placenta_Crossing_Structural_Similarity": 2.72377, "Placenta_Crossing_Weighted_Contribution": 3.19743, "Placenta_Crossing_Top_Rank": 0.13209, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O", "InChI_key": "LSLYOANBFKQKPT-UHFFFAOYSA-N" } }, "CID:3397945": { "type": "Drug", "properties": { "id": "CID:3397945", "label": "hydrastinine", "lsm": "LSM-4079", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3397945", "FDA_Category_D_L1000_Similarity": 1.25573, "FDA_Category_D_Structural_Similarity": -0.194172, "FDA_Category_D_Weighted_Contribution": 0.414311, "FDA_Category_D_Top_Rank": -0.0431278, "FDA_Category_X_L1000_Similarity": 1.73009, "FDA_Category_X_Structural_Similarity": -0.666927, "FDA_Category_X_Weighted_Contribution": 0.0713327, "FDA_Category_X_Top_Rank": -0.0274906, "FDA_Category_D_and_X_L1000_Similarity": 1.60785, "FDA_Category_D_and_X_Structural_Similarity": -0.513988, "FDA_Category_D_and_X_Weighted_Contribution": 0.229049, "FDA_Category_D_and_X_Top_Rank": -0.00605263, "Placenta_Crossing_L1000_Similarity": 1.67794, "Placenta_Crossing_Structural_Similarity": -0.544616, "Placenta_Crossing_Weighted_Contribution": 0.152047, "Placenta_Crossing_Top_Rank": -0.0182258, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1=CC2=CC3=C(C=C2CC1)OCO3", "InChI_key": "LGDCROILDUSHQX-UHFFFAOYSA-N" } }, "CID:3423": { "type": "Drug", "properties": { "id": "CID:3423", "label": "fpl-64176", "lsm": "LSM-3777", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3423", "FDA_Category_D_L1000_Similarity": 1.14555, "FDA_Category_D_Structural_Similarity": 0.842895, "FDA_Category_D_Weighted_Contribution": 1.46188, "FDA_Category_D_Top_Rank": -0.0540935, "FDA_Category_X_L1000_Similarity": -0.802433, "FDA_Category_X_Structural_Similarity": 0.525435, "FDA_Category_X_Weighted_Contribution": -0.00273767, "FDA_Category_X_Top_Rank": -0.0608943, "FDA_Category_D_and_X_L1000_Similarity": 0.743797, "FDA_Category_D_and_X_Structural_Similarity": 0.95254, "FDA_Category_D_and_X_Weighted_Contribution": 1.25138, "FDA_Category_D_and_X_Top_Rank": -0.0557462, "Placenta_Crossing_L1000_Similarity": 0.179177, "Placenta_Crossing_Structural_Similarity": 0.476977, "Placenta_Crossing_Weighted_Contribution": 0.411733, "Placenta_Crossing_Top_Rank": -0.0701681, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3", "InChI_key": "MDMWHKZANMNXTF-UHFFFAOYSA-N" } }, "CID:343083": { "type": "Drug", "properties": { "id": "CID:343083", "label": "cuneatin", "lsm": "LSM-3996", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/343083", "FDA_Category_D_L1000_Similarity": 0.969762, "FDA_Category_D_Structural_Similarity": -0.751286, "FDA_Category_D_Weighted_Contribution": -0.276883, "FDA_Category_D_Top_Rank": -0.0668793, "FDA_Category_X_L1000_Similarity": 0.77924, "FDA_Category_X_Structural_Similarity": -0.416655, "FDA_Category_X_Weighted_Contribution": -0.147419, "FDA_Category_X_Top_Rank": -0.0774534, "FDA_Category_D_and_X_L1000_Similarity": 1.07259, "FDA_Category_D_and_X_Structural_Similarity": -0.821131, "FDA_Category_D_and_X_Weighted_Contribution": -0.323231, "FDA_Category_D_and_X_Top_Rank": -0.0646618, "Placenta_Crossing_L1000_Similarity": 1.30366, "Placenta_Crossing_Structural_Similarity": -0.513042, "Placenta_Crossing_Weighted_Contribution": 0.00140733, "Placenta_Crossing_Top_Rank": -0.0552491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4", "InChI_key": "MSPWKPQQHHCXLR-UHFFFAOYSA-N" } }, "CID:3450": { "type": "Drug", "properties": { "id": "CID:3450", "label": "gallamine", "lsm": "LSM-5540", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3450", "smiles": "CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC", "IDG_ID": "1273", "FDA_Category_D_L1000_Similarity": 0.495633, "FDA_Category_D_Structural_Similarity": -0.622161, "FDA_Category_D_Weighted_Contribution": -0.402814, "FDA_Category_D_Top_Rank": -0.0853589, "FDA_Category_X_L1000_Similarity": 1.19485, "FDA_Category_X_Structural_Similarity": -0.479172, "FDA_Category_X_Weighted_Contribution": -0.00778659, "FDA_Category_X_Top_Rank": -0.0644888, "FDA_Category_D_and_X_L1000_Similarity": 0.790095, "FDA_Category_D_and_X_Structural_Similarity": -0.752377, "FDA_Category_D_and_X_Weighted_Contribution": -0.397073, "FDA_Category_D_and_X_Top_Rank": -0.0781111, "Placenta_Crossing_L1000_Similarity": -0.0271954, "Placenta_Crossing_Structural_Similarity": -0.648534, "Placenta_Crossing_Weighted_Contribution": -0.672501, "Placenta_Crossing_Top_Rank": -0.0885432, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3467590": { "type": "Drug", "properties": { "id": "CID:3467590", "label": "sto-609", "lsm": "LSM-3164", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3467590", "FDA_Category_D_L1000_Similarity": 0.220079, "FDA_Category_D_Structural_Similarity": -0.4501, "FDA_Category_D_Weighted_Contribution": -0.393938, "FDA_Category_D_Top_Rank": -0.0899851, "FDA_Category_X_L1000_Similarity": 0.519492, "FDA_Category_X_Structural_Similarity": -0.163771, "FDA_Category_X_Weighted_Contribution": -0.0297837, "FDA_Category_X_Top_Rank": -0.0822443, "FDA_Category_D_and_X_L1000_Similarity": 0.347472, "FDA_Category_D_and_X_Structural_Similarity": -0.44562, "FDA_Category_D_and_X_Weighted_Contribution": -0.348989, "FDA_Category_D_and_X_Top_Rank": -0.0882826, "Placenta_Crossing_L1000_Similarity": 0.135252, "Placenta_Crossing_Structural_Similarity": 0.393026, "Placenta_Crossing_Weighted_Contribution": 0.304608, "Placenta_Crossing_Top_Rank": -0.0727121, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)C(=O)O", "InChI_key": "MYKOWOGZBMOVBJ-UHFFFAOYSA-N" } }, "CID:34772": { "type": "Drug", "properties": { "id": "CID:34772", "label": "heat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/34772", "FDA_Category_D_L1000_Similarity": -0.0731252, "FDA_Category_D_Structural_Similarity": -0.748167, "FDA_Category_D_Weighted_Contribution": -0.753747, "FDA_Category_D_Top_Rank": -0.0928017, "FDA_Category_X_L1000_Similarity": -3.30254, "FDA_Category_X_Structural_Similarity": 0.218484, "FDA_Category_X_Weighted_Contribution": -1.19249, "FDA_Category_X_Top_Rank": -0.0726142, "FDA_Category_D_and_X_L1000_Similarity": -1.06596, "FDA_Category_D_and_X_Structural_Similarity": -0.475937, "FDA_Category_D_and_X_Weighted_Contribution": -0.938495, "FDA_Category_D_and_X_Top_Rank": -0.0937716, "Placenta_Crossing_L1000_Similarity": -0.453644, "Placenta_Crossing_Structural_Similarity": 0.576383, "Placenta_Crossing_Weighted_Contribution": 0.190594, "Placenta_Crossing_Top_Rank": -0.0674198, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O", "InChI_key": "PZZOEXPDTYIBPI-UHFFFAOYSA-N" } }, "CID:3503044": { "type": "Drug", "properties": { "id": "CID:3503044", "label": "dihydroobliquin", "lsm": "LSM-1314", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3503044", "FDA_Category_D_L1000_Similarity": 0.664315, "FDA_Category_D_Structural_Similarity": 0.741026, "FDA_Category_D_Weighted_Contribution": 1.04235, "FDA_Category_D_Top_Rank": -0.0626639, "FDA_Category_X_L1000_Similarity": -1.07119, "FDA_Category_X_Structural_Similarity": 1.08546, "FDA_Category_X_Weighted_Contribution": 0.434458, "FDA_Category_X_Top_Rank": -0.0364494, "FDA_Category_D_and_X_L1000_Similarity": 0.247353, "FDA_Category_D_and_X_Structural_Similarity": 1.17387, "FDA_Category_D_and_X_Weighted_Contribution": 1.19037, "FDA_Category_D_and_X_Top_Rank": -0.0409692, "Placenta_Crossing_L1000_Similarity": 0.761897, "Placenta_Crossing_Structural_Similarity": 0.981181, "Placenta_Crossing_Weighted_Contribution": 1.26048, "Placenta_Crossing_Top_Rank": -0.0511179, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1COC2=C(O1)C=C3C=CC(=O)OC3=C2", "InChI_key": "IZXSTWMUJGTAMI-UHFFFAOYSA-N" } }, "CID:3516": { "type": "Drug", "properties": { "id": "CID:3516", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3516", "label": "guaifenesin", "FDA_Category_D_L1000_Similarity": 0.842577, "FDA_Category_D_Structural_Similarity": -0.468304, "FDA_Category_D_Weighted_Contribution": -0.0903824, "FDA_Category_D_Top_Rank": -0.0741004, "FDA_Category_X_L1000_Similarity": 2.00067, "FDA_Category_X_Structural_Similarity": -0.728837, "FDA_Category_X_Weighted_Contribution": 0.145265, "FDA_Category_X_Top_Rank": 0.0117389, "FDA_Category_D_and_X_L1000_Similarity": 1.33388, "FDA_Category_D_and_X_Structural_Similarity": -0.764977, "FDA_Category_D_and_X_Weighted_Contribution": -0.148623, "FDA_Category_D_and_X_Top_Rank": -0.0436653, "Placenta_Crossing_L1000_Similarity": 1.40217, "Placenta_Crossing_Structural_Similarity": -0.276374, "Placenta_Crossing_Weighted_Contribution": 0.278019, "Placenta_Crossing_Top_Rank": -0.0479091, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1OCC(CO)O", "InChI_key": "HSRJKNPTNIJEKV-UHFFFAOYSA-N" } }, "CID:3545": { "type": "Drug", "properties": { "id": "CID:3545", "label": "brd-k72462751", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3545", "FDA_Category_D_L1000_Similarity": 0.958009, "FDA_Category_D_Structural_Similarity": -0.821949, "FDA_Category_D_Weighted_Contribution": -0.343371, "FDA_Category_D_Top_Rank": -0.0679455, "FDA_Category_X_L1000_Similarity": -0.409626, "FDA_Category_X_Structural_Similarity": -0.605314, "FDA_Category_X_Weighted_Contribution": -0.799263, "FDA_Category_X_Top_Rank": -0.0897191, "FDA_Category_D_and_X_L1000_Similarity": 0.701427, "FDA_Category_D_and_X_Structural_Similarity": -0.979016, "FDA_Category_D_and_X_Weighted_Contribution": -0.611267, "FDA_Category_D_and_X_Top_Rank": -0.0811694, "Placenta_Crossing_L1000_Similarity": 1.17369, "Placenta_Crossing_Structural_Similarity": 2.02257, "Placenta_Crossing_Weighted_Contribution": 2.53066, "Placenta_Crossing_Top_Rank": 0.034389, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3", "InChI_key": "UPTYCYWTFGTCCG-UHFFFAOYSA-N" } }, "CID:3559": { "type": "Drug", "properties": { "id": "CID:3559", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3559", "label": "haloperidol", "ref": "LSM-3512", "FDA_Category_D_L1000_Similarity": 0.634565, "FDA_Category_D_Structural_Similarity": -0.49621, "FDA_Category_D_Weighted_Contribution": -0.225421, "FDA_Category_D_Top_Rank": -0.0816246, "FDA_Category_X_L1000_Similarity": 2.65296, "FDA_Category_X_Structural_Similarity": -0.182262, "FDA_Category_X_Weighted_Contribution": 1.09637, "FDA_Category_X_Top_Rank": 0.263318, "FDA_Category_D_and_X_L1000_Similarity": 1.35266, "FDA_Category_D_and_X_Structural_Similarity": -0.492196, "FDA_Category_D_and_X_Weighted_Contribution": 0.112109, "FDA_Category_D_and_X_Top_Rank": -0.0422829, "Placenta_Crossing_L1000_Similarity": 1.03363, "Placenta_Crossing_Structural_Similarity": 0.848953, "Placenta_Crossing_Weighted_Contribution": 1.26656, "Placenta_Crossing_Top_Rank": -0.0573361, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F", "InChI_key": "LNEPOXFFQSENCJ-UHFFFAOYSA-N" } }, "CID:361510": { "type": "Drug", "properties": { "id": "CID:361510", "label": "emodic-acid", "lsm": "LSM-4128", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/361510", "FDA_Category_D_L1000_Similarity": 0.740153, "FDA_Category_D_Structural_Similarity": 3.36781, "FDA_Category_D_Weighted_Contribution": 3.47134, "FDA_Category_D_Top_Rank": 0.316019, "FDA_Category_X_L1000_Similarity": -0.420214, "FDA_Category_X_Structural_Similarity": 0.124014, "FDA_Category_X_Weighted_Contribution": -0.202998, "FDA_Category_X_Top_Rank": -0.0763191, "FDA_Category_D_and_X_L1000_Similarity": 0.510411, "FDA_Category_D_and_X_Structural_Similarity": 2.73999, "FDA_Category_D_and_X_Weighted_Contribution": 2.85039, "FDA_Category_D_and_X_Top_Rank": 0.143388, "Placenta_Crossing_L1000_Similarity": -0.399876, "Placenta_Crossing_Structural_Similarity": -0.379759, "Placenta_Crossing_Weighted_Contribution": -0.614045, "Placenta_Crossing_Top_Rank": -0.0884684, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O", "InChI_key": "ZJXVNNSMRGTDBI-UHFFFAOYSA-N" } }, "CID:3627": { "type": "Drug", "properties": { "id": "CID:3627", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3627", "label": "homochlorcyclizine", "FDA_Category_D_L1000_Similarity": 0.905391, "FDA_Category_D_Structural_Similarity": -0.519133, "FDA_Category_D_Weighted_Contribution": -0.103289, "FDA_Category_D_Top_Rank": -0.0712473, "FDA_Category_X_L1000_Similarity": 2.88618, "FDA_Category_X_Structural_Similarity": -0.600151, "FDA_Category_X_Weighted_Contribution": 0.756744, "FDA_Category_X_Top_Rank": 0.413283, "FDA_Category_D_and_X_L1000_Similarity": 1.65695, "FDA_Category_D_and_X_Structural_Similarity": -0.735882, "FDA_Category_D_and_X_Weighted_Contribution": 0.0430817, "FDA_Category_D_and_X_Top_Rank": 0.00173492, "Placenta_Crossing_L1000_Similarity": 1.01496, "Placenta_Crossing_Structural_Similarity": -0.705261, "Placenta_Crossing_Weighted_Contribution": -0.301072, "Placenta_Crossing_Top_Rank": -0.0699318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "InChI_key": "WEUCDJCFJHYFRL-UHFFFAOYSA-N" } }, "CID:3646": { "type": "Drug", "properties": { "id": "CID:3646", "label": "hydrocotarnine", "lsm": "LSM-2830", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3646", "FDA_Category_D_L1000_Similarity": 1.49737, "FDA_Category_D_Structural_Similarity": -0.685746, "FDA_Category_D_Weighted_Contribution": 0.0657152, "FDA_Category_D_Top_Rank": -0.00930211, "FDA_Category_X_L1000_Similarity": 1.00852, "FDA_Category_X_Structural_Similarity": -0.580259, "FDA_Category_X_Weighted_Contribution": -0.193107, "FDA_Category_X_Top_Rank": -0.0711335, "FDA_Category_D_and_X_L1000_Similarity": 1.59703, "FDA_Category_D_and_X_Structural_Similarity": -0.857391, "FDA_Category_D_and_X_Weighted_Contribution": -0.0993783, "FDA_Category_D_and_X_Top_Rank": -0.00670358, "Placenta_Crossing_L1000_Similarity": 1.18007, "Placenta_Crossing_Structural_Similarity": -0.381736, "Placenta_Crossing_Weighted_Contribution": 0.0660193, "Placenta_Crossing_Top_Rank": -0.0626791, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC3=C(C(=C2C1)OC)OCO3", "InChI_key": "XXANNZJIZQTCBP-UHFFFAOYSA-N" } }, "CID:36689751": { "type": "Drug", "properties": { "id": "CID:36689751", "label": "tetroquinone", "lsm": "LSM-5953", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/36689751", "FDA_Category_D_L1000_Similarity": 0.335027, "FDA_Category_D_Structural_Similarity": 0.127974, "FDA_Category_D_Weighted_Contribution": 0.19533, "FDA_Category_D_Top_Rank": -0.0818004, "FDA_Category_X_L1000_Similarity": -0.569208, "FDA_Category_X_Structural_Similarity": -0.736152, "FDA_Category_X_Weighted_Contribution": -0.9443, "FDA_Category_X_Top_Rank": -0.0902569, "FDA_Category_D_and_X_L1000_Similarity": 0.115942, "FDA_Category_D_and_X_Structural_Similarity": -0.29565, "FDA_Category_D_and_X_Weighted_Contribution": -0.332229, "FDA_Category_D_and_X_Top_Rank": -0.0911453, "Placenta_Crossing_L1000_Similarity": 1.05049, "Placenta_Crossing_Structural_Similarity": -1.10274, "Placenta_Crossing_Weighted_Contribution": -0.604494, "Placenta_Crossing_Top_Rank": -0.0685418, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3682562": { "type": "Drug", "properties": { "id": "CID:3682562", "label": "BG-1001", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3682562", "FDA_Category_D_L1000_Similarity": 0.374758, "FDA_Category_D_Structural_Similarity": 0.205519, "FDA_Category_D_Weighted_Contribution": 0.29596, "FDA_Category_D_Top_Rank": -0.0797697, "FDA_Category_X_L1000_Similarity": -1.24264, "FDA_Category_X_Structural_Similarity": 0.217181, "FDA_Category_X_Weighted_Contribution": -0.483705, "FDA_Category_X_Top_Rank": -0.0727087, "FDA_Category_D_and_X_L1000_Similarity": -0.0543144, "FDA_Category_D_and_X_Structural_Similarity": 0.280313, "FDA_Category_D_and_X_Weighted_Contribution": 0.0967189, "FDA_Category_D_and_X_Top_Rank": -0.0798718, "Placenta_Crossing_L1000_Similarity": -0.952596, "Placenta_Crossing_Structural_Similarity": 0.0168605, "Placenta_Crossing_Weighted_Contribution": -0.525675, "Placenta_Crossing_Top_Rank": -0.0819869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3702": { "type": "Drug", "properties": { "id": "CID:3702", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3702", "label": "indapamide", "FDA_Category_D_L1000_Similarity": 1.83462, "FDA_Category_D_Structural_Similarity": 1.56669, "FDA_Category_D_Weighted_Contribution": 2.60611, "FDA_Category_D_Top_Rank": 0.0870129, "FDA_Category_X_L1000_Similarity": 0.185513, "FDA_Category_X_Structural_Similarity": -0.134731, "FDA_Category_X_Weighted_Contribution": -0.161678, "FDA_Category_X_Top_Rank": -0.0830692, "FDA_Category_D_and_X_L1000_Similarity": 1.63781, "FDA_Category_D_and_X_Structural_Similarity": 1.17081, "FDA_Category_D_and_X_Weighted_Contribution": 2.00414, "FDA_Category_D_and_X_Top_Rank": -0.00141769, "Placenta_Crossing_L1000_Similarity": 1.48133, "Placenta_Crossing_Structural_Similarity": -0.174657, "Placenta_Crossing_Weighted_Contribution": 0.420852, "Placenta_Crossing_Top_Rank": -0.0415078, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N", "InChI_key": "NDDAHWYSQHTHNT-UHFFFAOYSA-N" } }, "CID:3721046": { "type": "Drug", "properties": { "id": "CID:3721046", "label": "cnqx", "lsm": "LSM-3184", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3721046", "FDA_Category_D_L1000_Similarity": 0.599072, "FDA_Category_D_Structural_Similarity": 0.640437, "FDA_Category_D_Weighted_Contribution": 0.89133, "FDA_Category_D_Top_Rank": -0.066108, "FDA_Category_X_L1000_Similarity": 2.39619, "FDA_Category_X_Structural_Similarity": -0.550969, "FDA_Category_X_Weighted_Contribution": 0.540908, "FDA_Category_X_Top_Rank": 0.113726, "FDA_Category_D_and_X_L1000_Similarity": 1.24408, "FDA_Category_D_and_X_Structural_Similarity": 0.211022, "FDA_Category_D_and_X_Weighted_Contribution": 0.759949, "FDA_Category_D_and_X_Top_Rank": -0.0519591, "Placenta_Crossing_L1000_Similarity": 1.06822, "Placenta_Crossing_Structural_Similarity": 0.203027, "Placenta_Crossing_Weighted_Contribution": 0.594295, "Placenta_Crossing_Top_Rank": -0.0678031, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N", "InChI_key": "RPXVIAFEQBNEAX-UHFFFAOYSA-N" } }, "CID:3739": { "type": "Drug", "properties": { "id": "CID:3739", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3739", "label": "iodipamide", "FDA_Category_D_L1000_Similarity": 0.113637, "FDA_Category_D_Structural_Similarity": 0.823198, "FDA_Category_D_Weighted_Contribution": 0.781741, "FDA_Category_D_Top_Rank": -0.0596618, "FDA_Category_X_L1000_Similarity": 0.1704, "FDA_Category_X_Structural_Similarity": -0.654563, "FDA_Category_X_Weighted_Contribution": -0.617564, "FDA_Category_X_Top_Rank": -0.0862212, "FDA_Category_D_and_X_L1000_Similarity": 0.149708, "FDA_Category_D_and_X_Structural_Similarity": 0.300184, "FDA_Category_D_and_X_Weighted_Contribution": 0.225911, "FDA_Category_D_and_X_Top_Rank": -0.0794432, "Placenta_Crossing_L1000_Similarity": 1.31055, "Placenta_Crossing_Structural_Similarity": -0.77281, "Placenta_Crossing_Weighted_Contribution": -0.230108, "Placenta_Crossing_Top_Rank": -0.0547639, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I", "InChI_key": "FFINMCNLQNTKLU-UHFFFAOYSA-N" } }, "CID:3742": { "type": "Drug", "properties": { "id": "CID:3742", "label": "ioxaglic acid", "lsm": "LSM-3781", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3742", "FDA_Category_D_L1000_Similarity": 1.52144, "FDA_Category_D_Structural_Similarity": 0.807057, "FDA_Category_D_Weighted_Contribution": 1.66148, "FDA_Category_D_Top_Rank": -0.00361055, "FDA_Category_X_L1000_Similarity": -0.932611, "FDA_Category_X_Structural_Similarity": -0.298155, "FDA_Category_X_Weighted_Contribution": -0.766289, "FDA_Category_X_Top_Rank": -0.0864872, "FDA_Category_D_and_X_L1000_Similarity": 1.02829, "FDA_Category_D_and_X_Structural_Similarity": 0.479688, "FDA_Category_D_and_X_Weighted_Contribution": 0.916288, "FDA_Category_D_and_X_Top_Rank": -0.0673129, "Placenta_Crossing_L1000_Similarity": 0.775397, "Placenta_Crossing_Structural_Similarity": -0.414634, "Placenta_Crossing_Weighted_Contribution": -0.153592, "Placenta_Crossing_Top_Rank": -0.0770248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I", "InChI_key": "TYYBFXNZMFNZJT-UHFFFAOYSA-N" } }, "CID:3744": { "type": "Drug", "properties": { "id": "CID:3744", "label": "indolylpropionic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3744", "FDA_Category_D_L1000_Similarity": 1.11051, "FDA_Category_D_Structural_Similarity": 0.461951, "FDA_Category_D_Weighted_Contribution": 1.02294, "FDA_Category_D_Top_Rank": -0.0576295, "FDA_Category_X_L1000_Similarity": 1.28828, "FDA_Category_X_Structural_Similarity": 1.32715, "FDA_Category_X_Weighted_Contribution": 2.02806, "FDA_Category_X_Top_Rank": -0.019194, "FDA_Category_D_and_X_L1000_Similarity": 1.3485, "FDA_Category_D_and_X_Structural_Similarity": 1.08278, "FDA_Category_D_and_X_Weighted_Contribution": 1.74841, "FDA_Category_D_and_X_Top_Rank": -0.042793, "Placenta_Crossing_L1000_Similarity": 1.20518, "Placenta_Crossing_Structural_Similarity": 0.287282, "Placenta_Crossing_Weighted_Contribution": 0.756133, "Placenta_Crossing_Top_Rank": -0.0613903, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CN2)CCC(=O)O", "InChI_key": "GOLXRNDWAUTYKT-UHFFFAOYSA-N" } }, "CID:3752": { "type": "Drug", "properties": { "id": "CID:3752", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3752", "label": "irsogladine", "FDA_Category_D_L1000_Similarity": 0.24623, "FDA_Category_D_Structural_Similarity": -0.790262, "FDA_Category_D_Weighted_Contribution": -0.649313, "FDA_Category_D_Top_Rank": -0.0895755, "FDA_Category_X_L1000_Similarity": 0.066486, "FDA_Category_X_Structural_Similarity": -0.733552, "FDA_Category_X_Weighted_Contribution": -0.718423, "FDA_Category_X_Top_Rank": -0.0871011, "FDA_Category_D_and_X_L1000_Similarity": 0.232434, "FDA_Category_D_and_X_Structural_Similarity": -1.02306, "FDA_Category_D_and_X_Weighted_Contribution": -0.824768, "FDA_Category_D_and_X_Top_Rank": -0.0898313, "Placenta_Crossing_L1000_Similarity": 0.482223, "Placenta_Crossing_Structural_Similarity": -0.990414, "Placenta_Crossing_Weighted_Contribution": -0.731815, "Placenta_Crossing_Top_Rank": -0.0832682, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl", "InChI_key": "ATCGGEJZONJOCL-UHFFFAOYSA-N" } }, "CID:3758": { "type": "Drug", "properties": { "id": "CID:3758", "label": "3-isobutyl-1-methyl-7h-xanthine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3758", "FDA_Category_D_L1000_Similarity": -0.0742892, "FDA_Category_D_Structural_Similarity": -0.436956, "FDA_Category_D_Weighted_Contribution": -0.52277, "FDA_Category_D_Top_Rank": -0.0928129, "FDA_Category_X_L1000_Similarity": -0.103799, "FDA_Category_X_Structural_Similarity": -0.413772, "FDA_Category_X_Weighted_Contribution": -0.53427, "FDA_Category_X_Top_Rank": -0.0882616, "FDA_Category_D_and_X_L1000_Similarity": -0.095555, "FDA_Category_D_and_X_Structural_Similarity": -0.570087, "FDA_Category_D_and_X_Weighted_Contribution": -0.638975, "FDA_Category_D_and_X_Top_Rank": -0.0929608, "Placenta_Crossing_L1000_Similarity": 0.282978, "Placenta_Crossing_Structural_Similarity": -0.565119, "Placenta_Crossing_Weighted_Contribution": -0.490593, "Placenta_Crossing_Top_Rank": -0.0858179, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2", "InChI_key": "APIXJSLKIYYUKG-UHFFFAOYSA-N" } }, "CID:3765": { "type": "Drug", "properties": { "id": "CID:3765", "label": "isoguvacine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3765", "FDA_Category_D_L1000_Similarity": -0.369347, "FDA_Category_D_Structural_Similarity": -0.862741, "FDA_Category_D_Weighted_Contribution": -0.943978, "FDA_Category_D_Top_Rank": -0.0945762, "FDA_Category_X_L1000_Similarity": 0.517314, "FDA_Category_X_Structural_Similarity": -0.74622, "FDA_Category_X_Weighted_Contribution": -0.551929, "FDA_Category_X_Top_Rank": -0.0822693, "FDA_Category_D_and_X_L1000_Similarity": -0.161292, "FDA_Category_D_and_X_Structural_Similarity": -1.08743, "FDA_Category_D_and_X_Weighted_Contribution": -1.00022, "FDA_Category_D_and_X_Top_Rank": -0.093401, "Placenta_Crossing_L1000_Similarity": 0.0921595, "Placenta_Crossing_Structural_Similarity": -0.828774, "Placenta_Crossing_Weighted_Contribution": -0.756976, "Placenta_Crossing_Top_Rank": -0.0876206, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3765615": { "type": "Drug", "properties": { "id": "CID:3765615", "label": "l-152804", "lsm": "LSM-1543", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3765615", "FDA_Category_D_L1000_Similarity": 0.715405, "FDA_Category_D_Structural_Similarity": -0.0900987, "FDA_Category_D_Weighted_Contribution": 0.199948, "FDA_Category_D_Top_Rank": -0.079105, "FDA_Category_X_L1000_Similarity": -0.0220692, "FDA_Category_X_Structural_Similarity": -0.659088, "FDA_Category_X_Weighted_Contribution": -0.695651, "FDA_Category_X_Top_Rank": -0.0877344, "FDA_Category_D_and_X_L1000_Similarity": 0.609992, "FDA_Category_D_and_X_Structural_Similarity": -0.427154, "FDA_Category_D_and_X_Weighted_Contribution": -0.208344, "FDA_Category_D_and_X_Top_Rank": -0.0832163, "Placenta_Crossing_L1000_Similarity": 0.86673, "Placenta_Crossing_Structural_Similarity": -0.404047, "Placenta_Crossing_Weighted_Contribution": -0.102334, "Placenta_Crossing_Top_Rank": -0.0745196, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)C", "InChI_key": "XQDXIHYKAGHZRX-UHFFFAOYSA-N" } }, "CID:3779": { "type": "Drug", "properties": { "id": "CID:3779", "label": "isoprenaline", "ref": "LSM-5503", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3779", "FDA_Category_D_L1000_Similarity": 0.429513, "FDA_Category_D_Structural_Similarity": -0.510408, "FDA_Category_D_Weighted_Contribution": -0.341625, "FDA_Category_D_Top_Rank": -0.0866778, "FDA_Category_X_L1000_Similarity": 0.333114, "FDA_Category_X_Structural_Similarity": 0.303536, "FDA_Category_X_Weighted_Contribution": 0.350246, "FDA_Category_X_Top_Rank": -0.0696921, "FDA_Category_D_and_X_L1000_Similarity": 0.471399, "FDA_Category_D_and_X_Structural_Similarity": -0.241331, "FDA_Category_D_and_X_Weighted_Contribution": -0.112794, "FDA_Category_D_and_X_Top_Rank": -0.0862147, "Placenta_Crossing_L1000_Similarity": 0.65673, "Placenta_Crossing_Structural_Similarity": 6.21844, "Placenta_Crossing_Weighted_Contribution": 4.26393, "Placenta_Crossing_Top_Rank": 2.15783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(C1=CC(=C(C=C1)O)O)O", "InChI_key": "JWZZKOKVBUJMES-UHFFFAOYSA-N" } }, "CID:3792": { "type": "Drug", "properties": { "id": "CID:3792", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3792", "label": "itopride", "FDA_Category_D_L1000_Similarity": 0.408591, "FDA_Category_D_Structural_Similarity": 1.78127, "FDA_Category_D_Weighted_Contribution": 2.00234, "FDA_Category_D_Top_Rank": 0.0167507, "FDA_Category_X_L1000_Similarity": -0.561738, "FDA_Category_X_Structural_Similarity": 4.36845, "FDA_Category_X_Weighted_Contribution": 3.78681, "FDA_Category_X_Top_Rank": 0.748787, "FDA_Category_D_and_X_L1000_Similarity": 0.181624, "FDA_Category_D_and_X_Structural_Similarity": 3.77101, "FDA_Category_D_and_X_Weighted_Contribution": 3.41949, "FDA_Category_D_and_X_Top_Rank": 0.556938, "Placenta_Crossing_L1000_Similarity": 0.410249, "Placenta_Crossing_Structural_Similarity": 0.234812, "Placenta_Crossing_Weighted_Contribution": 0.285953, "Placenta_Crossing_Top_Rank": -0.0768983, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC", "InChI_key": "QQQIECGTIMUVDS-UHFFFAOYSA-N" } }, "CID:3822": { "type": "Drug", "properties": { "id": "CID:3822", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3822", "label": "ketanserin", "FDA_Category_D_L1000_Similarity": -0.18205, "FDA_Category_D_Structural_Similarity": -0.68528, "FDA_Category_D_Weighted_Contribution": -0.754376, "FDA_Category_D_Top_Rank": -0.0935753, "FDA_Category_X_L1000_Similarity": 0.537201, "FDA_Category_X_Structural_Similarity": -0.706577, "FDA_Category_X_Weighted_Contribution": -0.511257, "FDA_Category_X_Top_Rank": -0.0819895, "FDA_Category_D_and_X_L1000_Similarity": 0.00621504, "FDA_Category_D_and_X_Structural_Similarity": -0.925182, "FDA_Category_D_and_X_Weighted_Contribution": -0.843566, "FDA_Category_D_and_X_Top_Rank": -0.0921395, "Placenta_Crossing_L1000_Similarity": 1.08531, "Placenta_Crossing_Structural_Similarity": -0.688122, "Placenta_Crossing_Weighted_Contribution": -0.255783, "Placenta_Crossing_Top_Rank": -0.0670267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O", "InChI_key": "FPCCSQOGAWCVBH-UHFFFAOYSA-N" } }, "CID:3899541": { "type": "Drug", "properties": { "id": "CID:3899541", "label": "fg-9041", "lsm": "LSM-3911", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3899541", "FDA_Category_D_L1000_Similarity": 0.163975, "FDA_Category_D_Structural_Similarity": 0.827548, "FDA_Category_D_Weighted_Contribution": 0.818164, "FDA_Category_D_Top_Rank": -0.0594302, "FDA_Category_X_L1000_Similarity": 0.74078, "FDA_Category_X_Structural_Similarity": 0.125216, "FDA_Category_X_Weighted_Contribution": 0.37742, "FDA_Category_X_Top_Rank": -0.0762584, "FDA_Category_D_and_X_L1000_Similarity": 0.366318, "FDA_Category_D_and_X_Structural_Similarity": 0.724402, "FDA_Category_D_and_X_Weighted_Contribution": 0.782423, "FDA_Category_D_and_X_Top_Rank": -0.0665406, "Placenta_Crossing_L1000_Similarity": 1.10954, "Placenta_Crossing_Structural_Similarity": 0.769186, "Placenta_Crossing_Weighted_Contribution": 1.22195, "Placenta_Crossing_Top_Rank": -0.0606711, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2", "InChI_key": "RWVIMCIPOAXUDG-UHFFFAOYSA-N" } }, "CID:3906894": { "type": "Drug", "properties": { "id": "CID:3906894", "label": "way-161503", "lsm": "LSM-1683", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3906894", "FDA_Category_D_L1000_Similarity": -0.732483, "FDA_Category_D_Structural_Similarity": -0.814701, "FDA_Category_D_Weighted_Contribution": -1.04253, "FDA_Category_D_Top_Rank": -0.0957987, "FDA_Category_X_L1000_Similarity": 1.37662, "FDA_Category_X_Structural_Similarity": -0.0831609, "FDA_Category_X_Weighted_Contribution": 0.494972, "FDA_Category_X_Top_Rank": -0.0544685, "FDA_Category_D_and_X_L1000_Similarity": -0.213358, "FDA_Category_D_and_X_Structural_Similarity": -0.691512, "FDA_Category_D_and_X_Weighted_Contribution": -0.770486, "FDA_Category_D_and_X_Top_Rank": -0.0937189, "Placenta_Crossing_L1000_Similarity": 0.729263, "Placenta_Crossing_Structural_Similarity": -0.338187, "Placenta_Crossing_Weighted_Contribution": -0.105852, "Placenta_Crossing_Top_Rank": -0.0781743, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2C(CN1)C(=O)NC3=CC(=C(C=C32)Cl)Cl", "InChI_key": "PHGWDAICBXUJDU-UHFFFAOYSA-N" } }, "CID:3926": { "type": "Drug", "properties": { "id": "CID:3926", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3926", "label": "lidoflazine", "FDA_Category_D_L1000_Similarity": -0.665596, "FDA_Category_D_Structural_Similarity": -0.560708, "FDA_Category_D_Weighted_Contribution": -0.861906, "FDA_Category_D_Top_Rank": -0.0947006, "FDA_Category_X_L1000_Similarity": 1.98909, "FDA_Category_X_Structural_Similarity": 0.0431171, "FDA_Category_X_Weighted_Contribution": 0.975118, "FDA_Category_X_Top_Rank": 0.00892609, "FDA_Category_D_and_X_L1000_Similarity": 0.0303004, "FDA_Category_D_and_X_Structural_Similarity": -0.421776, "FDA_Category_D_and_X_Weighted_Contribution": -0.473282, "FDA_Category_D_and_X_Top_Rank": -0.0919327, "Placenta_Crossing_L1000_Similarity": 0.237446, "Placenta_Crossing_Structural_Similarity": 0.782487, "Placenta_Crossing_Weighted_Contribution": 0.760658, "Placenta_Crossing_Top_Rank": -0.0600591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F", "InChI_key": "ZBIAKUMOEKILTF-UHFFFAOYSA-N" } }, "CID:3948": { "type": "Drug", "properties": { "id": "CID:3948", "label": "lomefloxacin", "lsm": "LSM-5145", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3948", "FDA_Category_D_L1000_Similarity": -0.351147, "FDA_Category_D_Structural_Similarity": 0.501342, "FDA_Category_D_Weighted_Contribution": 0.167307, "FDA_Category_D_Top_Rank": -0.0709073, "FDA_Category_X_L1000_Similarity": 1.96645, "FDA_Category_X_Structural_Similarity": -0.0698627, "FDA_Category_X_Weighted_Contribution": 0.835035, "FDA_Category_X_Top_Rank": 0.00625391, "FDA_Category_D_and_X_L1000_Similarity": 0.294489, "FDA_Category_D_and_X_Structural_Similarity": 0.360225, "FDA_Category_D_and_X_Weighted_Contribution": 0.365556, "FDA_Category_D_and_X_Top_Rank": -0.0780894, "Placenta_Crossing_L1000_Similarity": 0.557648, "Placenta_Crossing_Structural_Similarity": 0.0140515, "Placenta_Crossing_Weighted_Contribution": 0.142693, "Placenta_Crossing_Top_Rank": -0.0819375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O", "InChI_key": "ZEKZLJVOYLTDKK-UHFFFAOYSA-N" } }, "CID:3957": { "type": "Drug", "properties": { "id": "CID:3957", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3957", "label": "loratadine", "ref": "LSM-5891", "FDA_Category_D_L1000_Similarity": 0.442173, "FDA_Category_D_Structural_Similarity": -0.548121, "FDA_Category_D_Weighted_Contribution": -0.367184, "FDA_Category_D_Top_Rank": -0.0864095, "FDA_Category_X_L1000_Similarity": -0.820846, "FDA_Category_X_Structural_Similarity": -0.456828, "FDA_Category_X_Weighted_Contribution": -0.839968, "FDA_Category_X_Top_Rank": -0.0891538, "FDA_Category_D_and_X_L1000_Similarity": 0.131889, "FDA_Category_D_and_X_Structural_Similarity": -0.681553, "FDA_Category_D_and_X_Weighted_Contribution": -0.627282, "FDA_Category_D_and_X_Top_Rank": -0.0910057, "Placenta_Crossing_L1000_Similarity": -1.17758, "Placenta_Crossing_Structural_Similarity": -0.477451, "Placenta_Crossing_Weighted_Contribution": -0.94707, "Placenta_Crossing_Top_Rank": -0.0894971, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1", "InChI_key": "JCCNYMKQOSZNPW-UHFFFAOYSA-N" } }, "CID:3995234": { "type": "Drug", "properties": { "id": "CID:3995234", "label": "fgin-1-43", "lsm": "LSM-3474", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3995234", "FDA_Category_D_L1000_Similarity": 0.483915, "FDA_Category_D_Structural_Similarity": -0.773056, "FDA_Category_D_Weighted_Contribution": -0.530019, "FDA_Category_D_Top_Rank": -0.0855816, "FDA_Category_X_L1000_Similarity": 1.08694, "FDA_Category_X_Structural_Similarity": -0.594048, "FDA_Category_X_Weighted_Contribution": -0.169389, "FDA_Category_X_Top_Rank": -0.0685251, "FDA_Category_D_and_X_L1000_Similarity": 0.747227, "FDA_Category_D_and_X_Structural_Similarity": -0.934131, "FDA_Category_D_and_X_Weighted_Contribution": -0.558546, "FDA_Category_D_and_X_Top_Rank": -0.0796166, "Placenta_Crossing_L1000_Similarity": 0.550672, "Placenta_Crossing_Structural_Similarity": -0.429592, "Placenta_Crossing_Weighted_Contribution": -0.266731, "Placenta_Crossing_Top_Rank": -0.0820849, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl", "InChI_key": "XTZUPNNVXIMWAR-UHFFFAOYSA-N" } }, "CID:399698": { "type": "Drug", "properties": { "id": "CID:399698", "label": "n-bromoacetyltryptamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/399698", "FDA_Category_D_L1000_Similarity": -2.24814, "FDA_Category_D_Structural_Similarity": 0.829478, "FDA_Category_D_Weighted_Contribution": -0.52791, "FDA_Category_D_Top_Rank": -0.0592967, "FDA_Category_X_L1000_Similarity": -1.45261, "FDA_Category_X_Structural_Similarity": -0.34697, "FDA_Category_X_Weighted_Contribution": -0.978703, "FDA_Category_X_Top_Rank": -0.0873145, "FDA_Category_D_and_X_L1000_Similarity": -2.37906, "FDA_Category_D_and_X_Structural_Similarity": 0.471145, "FDA_Category_D_and_X_Weighted_Contribution": -0.804843, "FDA_Category_D_and_X_Top_Rank": -0.074786, "Placenta_Crossing_L1000_Similarity": -2.31292, "Placenta_Crossing_Structural_Similarity": -0.879026, "Placenta_Crossing_Weighted_Contribution": -1.42395, "Placenta_Crossing_Top_Rank": -0.0920799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4021": { "type": "Drug", "properties": { "id": "CID:4021", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4021", "label": "edaravone", "FDA_Category_D_L1000_Similarity": 0.986452, "FDA_Category_D_Structural_Similarity": -0.933957, "FDA_Category_D_Weighted_Contribution": -0.422918, "FDA_Category_D_Top_Rank": -0.0660122, "FDA_Category_X_L1000_Similarity": 2.09434, "FDA_Category_X_Structural_Similarity": -0.722794, "FDA_Category_X_Weighted_Contribution": 0.199259, "FDA_Category_X_Top_Rank": 0.027774, "FDA_Category_D_and_X_L1000_Similarity": 1.48635, "FDA_Category_D_and_X_Structural_Similarity": -1.13131, "FDA_Category_D_and_X_Weighted_Contribution": -0.387825, "FDA_Category_D_and_X_Top_Rank": -0.0252404, "Placenta_Crossing_L1000_Similarity": 1.6405, "Placenta_Crossing_Structural_Similarity": -0.934071, "Placenta_Crossing_Weighted_Contribution": -0.224766, "Placenta_Crossing_Top_Rank": -0.023845, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN(C(=O)C1)C2=CC=CC=C2", "InChI_key": "QELUYTUMUWHWMC-UHFFFAOYSA-N" } }, "CID:4029677": { "type": "Drug", "properties": { "id": "CID:4029677", "label": "cp-94253", "lsm": "LSM-2739", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4029677", "FDA_Category_D_L1000_Similarity": -0.104911, "FDA_Category_D_Structural_Similarity": 0.392994, "FDA_Category_D_Weighted_Contribution": 0.202647, "FDA_Category_D_Top_Rank": -0.0745342, "FDA_Category_X_L1000_Similarity": 0.634661, "FDA_Category_X_Structural_Similarity": -0.545796, "FDA_Category_X_Weighted_Contribution": -0.331637, "FDA_Category_X_Top_Rank": -0.0804912, "FDA_Category_D_and_X_L1000_Similarity": 0.102304, "FDA_Category_D_and_X_Structural_Similarity": 0.0174154, "FDA_Category_D_and_X_Weighted_Contribution": -0.0659776, "FDA_Category_D_and_X_Top_Rank": -0.0859492, "Placenta_Crossing_L1000_Similarity": 1.25181, "Placenta_Crossing_Structural_Similarity": -0.831641, "Placenta_Crossing_Weighted_Contribution": -0.306359, "Placenta_Crossing_Top_Rank": -0.059003, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC1=NC2=C(C=C1)NC=C2C3=CCNCC3", "InChI_key": "KWQWBZIGHIOKIO-UHFFFAOYSA-N" } }, "CID:40634": { "type": "Drug", "properties": { "id": "CID:40634", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID40634", "label": "Trolox", "FDA_Category_D_L1000_Similarity": 0.563693, "FDA_Category_D_Structural_Similarity": -0.495839, "FDA_Category_D_Weighted_Contribution": -0.261519, "FDA_Category_D_Top_Rank": -0.0836329, "FDA_Category_X_L1000_Similarity": 0.238096, "FDA_Category_X_Structural_Similarity": -0.508674, "FDA_Category_X_Weighted_Contribution": -0.471025, "FDA_Category_X_Top_Rank": -0.0855858, "FDA_Category_D_and_X_L1000_Similarity": 0.558218, "FDA_Category_D_and_X_Structural_Similarity": -0.668032, "FDA_Category_D_and_X_Weighted_Contribution": -0.433866, "FDA_Category_D_and_X_Top_Rank": -0.0845449, "Placenta_Crossing_L1000_Similarity": 0.996398, "Placenta_Crossing_Structural_Similarity": 0.403023, "Placenta_Crossing_Weighted_Contribution": 0.766559, "Placenta_Crossing_Top_Rank": -0.0705579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4084010": { "type": "Drug", "properties": { "id": "CID:4084010", "label": "emf-sumo1-1", "lsm": "LSM-6516", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4084010", "FDA_Category_D_L1000_Similarity": -0.0680634, "FDA_Category_D_Structural_Similarity": -0.479873, "FDA_Category_D_Weighted_Contribution": -0.553468, "FDA_Category_D_Top_Rank": -0.0927551, "FDA_Category_X_L1000_Similarity": 1.91968, "FDA_Category_X_Structural_Similarity": -0.646442, "FDA_Category_X_Weighted_Contribution": 0.187935, "FDA_Category_X_Top_Rank": -0.00204641, "FDA_Category_D_and_X_L1000_Similarity": 0.524303, "FDA_Category_D_and_X_Structural_Similarity": -0.729699, "FDA_Category_D_and_X_Weighted_Contribution": -0.497544, "FDA_Category_D_and_X_Top_Rank": -0.0852113, "Placenta_Crossing_L1000_Similarity": 1.06943, "Placenta_Crossing_Structural_Similarity": -0.793059, "Placenta_Crossing_Weighted_Contribution": -0.351765, "Placenta_Crossing_Top_Rank": -0.0677341, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC=CC=C3F)C4=CC=CC=C4", "InChI_key": "JVDNHGVLKRELPZ-UHFFFAOYSA-N" } }, "CID:40854": { "type": "Drug", "properties": { "id": "CID:40854", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID40854", "label": "oxfendazole", "FDA_Category_D_L1000_Similarity": 1.27922, "FDA_Category_D_Structural_Similarity": -0.724163, "FDA_Category_D_Weighted_Contribution": -0.0905369, "FDA_Category_D_Top_Rank": -0.0396099, "FDA_Category_X_L1000_Similarity": 2.59061, "FDA_Category_X_Structural_Similarity": -0.6276, "FDA_Category_X_Weighted_Contribution": 0.563397, "FDA_Category_X_Top_Rank": 0.206487, "FDA_Category_D_and_X_L1000_Similarity": 1.88943, "FDA_Category_D_and_X_Structural_Similarity": -0.913429, "FDA_Category_D_and_X_Weighted_Contribution": -0.000877472, "FDA_Category_D_and_X_Top_Rank": 0.0560105, "Placenta_Crossing_L1000_Similarity": 1.74449, "Placenta_Crossing_Structural_Similarity": -0.995074, "Placenta_Crossing_Weighted_Contribution": -0.231958, "Placenta_Crossing_Top_Rank": -0.0085288, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3", "InChI_key": "BEZZFPOZAYTVHN-UHFFFAOYSA-N" } }, "CID:4091": { "type": "Drug", "properties": { "id": "CID:4091", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4091", "label": "metformin", "ref": "LSM-4730", "FDA_Category_D_L1000_Similarity": 0.726627, "FDA_Category_D_Structural_Similarity": -0.693462, "FDA_Category_D_Weighted_Contribution": -0.3493, "FDA_Category_D_Top_Rank": -0.0787789, "FDA_Category_X_L1000_Similarity": 2.06253, "FDA_Category_X_Structural_Similarity": 0.167268, "FDA_Category_X_Weighted_Contribution": 1.15796, "FDA_Category_X_Top_Rank": 0.0214041, "FDA_Category_D_and_X_L1000_Similarity": 1.25272, "FDA_Category_D_and_X_Structural_Similarity": -0.460153, "FDA_Category_D_and_X_Weighted_Contribution": 0.0893402, "FDA_Category_D_and_X_Top_Rank": -0.0512682, "Placenta_Crossing_L1000_Similarity": 1.95943, "Placenta_Crossing_Structural_Similarity": -0.638878, "Placenta_Crossing_Weighted_Contribution": 0.199305, "Placenta_Crossing_Top_Rank": 0.0347151, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CN(C)C(=N)N=C(N)N", "InChI_key": "XZWYZXLIPXDOLR-UHFFFAOYSA-N" } }, "CID:4097": { "type": "Drug", "properties": { "id": "CID:4097", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4097", "label": "methantheline", "FDA_Category_D_L1000_Similarity": 0.984154, "FDA_Category_D_Structural_Similarity": -0.759372, "FDA_Category_D_Weighted_Contribution": -0.276586, "FDA_Category_D_Top_Rank": -0.0661318, "FDA_Category_X_L1000_Similarity": 0.874539, "FDA_Category_X_Structural_Similarity": -0.306818, "FDA_Category_X_Weighted_Contribution": 0.00403827, "FDA_Category_X_Top_Rank": -0.0750858, "FDA_Category_D_and_X_L1000_Similarity": 1.11394, "FDA_Category_D_and_X_Structural_Similarity": -0.768281, "FDA_Category_D_and_X_Weighted_Contribution": -0.258938, "FDA_Category_D_and_X_Top_Rank": -0.0615558, "Placenta_Crossing_L1000_Similarity": 1.27394, "Placenta_Crossing_Structural_Similarity": -0.854038, "Placenta_Crossing_Weighted_Contribution": -0.315823, "Placenta_Crossing_Top_Rank": -0.0574598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13", "InChI_key": "GZHFODJQISUKAY-UHFFFAOYSA-N" } }, "CID:4114": { "type": "Drug", "properties": { "id": "CID:4114", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4114", "label": "methoxsalen", "FDA_Category_D_L1000_Similarity": 1.85551, "FDA_Category_D_Structural_Similarity": -0.413946, "FDA_Category_D_Weighted_Contribution": 0.550919, "FDA_Category_D_Top_Rank": 0.0976504, "FDA_Category_X_L1000_Similarity": 1.77241, "FDA_Category_X_Structural_Similarity": 2.54587, "FDA_Category_X_Weighted_Contribution": 3.375, "FDA_Category_X_Top_Rank": 0.116236, "FDA_Category_D_and_X_L1000_Similarity": 2.13771, "FDA_Category_D_and_X_Structural_Similarity": 1.04518, "FDA_Category_D_and_X_Weighted_Contribution": 2.15709, "FDA_Category_D_and_X_Top_Rank": 0.166527, "Placenta_Crossing_L1000_Similarity": 2.52759, "Placenta_Crossing_Structural_Similarity": -0.455755, "Placenta_Crossing_Weighted_Contribution": 0.679828, "Placenta_Crossing_Top_Rank": 0.299819, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2", "InChI_key": "QXKHYNVANLEOEG-UHFFFAOYSA-N" } }, "CID:4259181": { "type": "Drug", "properties": { "id": "CID:4259181", "label": "sch-79797", "lsm": "LSM-6224", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4259181", "FDA_Category_D_L1000_Similarity": -1.14787, "FDA_Category_D_Structural_Similarity": 0.712835, "FDA_Category_D_Weighted_Contribution": -0.0760241, "FDA_Category_D_Top_Rank": -0.0638003, "FDA_Category_X_L1000_Similarity": -0.0366832, "FDA_Category_X_Structural_Similarity": 0.452305, "FDA_Category_X_Weighted_Contribution": 0.312069, "FDA_Category_X_Top_Rank": -0.0637708, "FDA_Category_D_and_X_L1000_Similarity": -1.00062, "FDA_Category_D_and_X_Structural_Similarity": 0.809849, "FDA_Category_D_and_X_Weighted_Contribution": 0.0958331, "FDA_Category_D_and_X_Top_Rank": -0.0628623, "Placenta_Crossing_L1000_Similarity": -2.44068, "Placenta_Crossing_Structural_Similarity": 0.84594, "Placenta_Crossing_Weighted_Contribution": -0.467348, "Placenta_Crossing_Top_Rank": -0.0577355, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N", "InChI_key": "AVXQPEKZIGPIJW-UHFFFAOYSA-N" } }, "CID:4260": { "type": "Drug", "properties": { "id": "CID:4260", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4260", "label": "moxisylyte", "FDA_Category_D_L1000_Similarity": 1.3493, "FDA_Category_D_Structural_Similarity": 0.797204, "FDA_Category_D_Weighted_Contribution": 1.54192, "FDA_Category_D_Top_Rank": -0.0320627, "FDA_Category_X_L1000_Similarity": 1.88475, "FDA_Category_X_Structural_Similarity": 4.48227, "FDA_Category_X_Weighted_Contribution": 4.30716, "FDA_Category_X_Top_Rank": 0.852773, "FDA_Category_D_and_X_L1000_Similarity": 1.73548, "FDA_Category_D_and_X_Structural_Similarity": 3.05137, "FDA_Category_D_and_X_Weighted_Contribution": 3.50121, "FDA_Category_D_and_X_Top_Rank": 0.225062, "Placenta_Crossing_L1000_Similarity": 2.07948, "Placenta_Crossing_Structural_Similarity": 1.33481, "Placenta_Crossing_Weighted_Contribution": 2.31873, "Placenta_Crossing_Top_Rank": 0.0672633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C", "InChI_key": "VRYMTAVOXVTQEF-UHFFFAOYSA-N" } }, "CID:42642645": { "type": "Drug", "properties": { "id": "CID:42642645", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID42642645", "label": "foretinib", "FDA_Category_D_L1000_Similarity": -1.53266, "FDA_Category_D_Structural_Similarity": -0.653681, "FDA_Category_D_Weighted_Contribution": -1.20774, "FDA_Category_D_Top_Rank": -0.0954904, "FDA_Category_X_L1000_Similarity": 0.574444, "FDA_Category_X_Structural_Similarity": -0.384248, "FDA_Category_X_Weighted_Contribution": -0.212729, "FDA_Category_X_Top_Rank": -0.0813938, "FDA_Category_D_and_X_L1000_Similarity": -1.14672, "FDA_Category_D_and_X_Structural_Similarity": -0.726174, "FDA_Category_D_and_X_Weighted_Contribution": -1.10595, "FDA_Category_D_and_X_Top_Rank": -0.0955735, "Placenta_Crossing_L1000_Similarity": -0.358184, "Placenta_Crossing_Structural_Similarity": -0.0199821, "Placenta_Crossing_Weighted_Contribution": -0.310687, "Placenta_Crossing_Top_Rank": -0.0827215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F", "InChI_key": "CXQHYVUVSFXTMY-UHFFFAOYSA-N" } }, "CID:43231": { "type": "Drug", "properties": { "id": "CID:43231", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID43231", "label": "clorsulon", "FDA_Category_D_L1000_Similarity": 0.428563, "FDA_Category_D_Structural_Similarity": -0.10998, "FDA_Category_D_Weighted_Contribution": 0.017913, "FDA_Category_D_Top_Rank": -0.086692, "FDA_Category_X_L1000_Similarity": 1.00597, "FDA_Category_X_Structural_Similarity": 0.284146, "FDA_Category_X_Weighted_Contribution": 0.693925, "FDA_Category_X_Top_Rank": -0.0703545, "FDA_Category_D_and_X_L1000_Similarity": 0.674923, "FDA_Category_D_and_X_Structural_Similarity": 0.0660317, "FDA_Category_D_and_X_Weighted_Contribution": 0.285068, "FDA_Category_D_and_X_Top_Rank": -0.0818163, "Placenta_Crossing_L1000_Similarity": 0.427028, "Placenta_Crossing_Structural_Similarity": 0.723472, "Placenta_Crossing_Weighted_Contribution": 0.800166, "Placenta_Crossing_Top_Rank": -0.0622034, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl", "InChI_key": "QOVTVIYTBRHADL-UHFFFAOYSA-N" } }, "CID:4364841": { "type": "Drug", "properties": { "id": "CID:4364841", "label": "l-165041", "lsm": "LSM-2901", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4364841", "FDA_Category_D_L1000_Similarity": 0.783119, "FDA_Category_D_Structural_Similarity": 0.546727, "FDA_Category_D_Weighted_Contribution": 0.90658, "FDA_Category_D_Top_Rank": -0.0694718, "FDA_Category_X_L1000_Similarity": 1.33248, "FDA_Category_X_Structural_Similarity": -0.635675, "FDA_Category_X_Weighted_Contribution": -0.0925531, "FDA_Category_X_Top_Rank": -0.0573071, "FDA_Category_D_and_X_L1000_Similarity": 1.07971, "FDA_Category_D_and_X_Structural_Similarity": 0.0909366, "FDA_Category_D_and_X_Weighted_Contribution": 0.539032, "FDA_Category_D_and_X_Top_Rank": -0.0642992, "Placenta_Crossing_L1000_Similarity": 1.51005, "Placenta_Crossing_Structural_Similarity": -0.675437, "Placenta_Crossing_Weighted_Contribution": -0.0520911, "Placenta_Crossing_Top_Rank": -0.0389535, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=C(C=CC(=C1O)CC=O)OCCCOC2=CC=C(C=C2)OCC(=O)O", "InChI_key": "YBEZORYMVISYOA-UHFFFAOYSA-N" } }, "CID:4369491": { "type": "Drug", "properties": { "id": "CID:4369491", "label": "9-hydroxy-4-phenyl-6h-pyrrolo[3,4-c]carbazole-1,3-dione", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4369491", "FDA_Category_D_L1000_Similarity": -2.26998, "FDA_Category_D_Structural_Similarity": -0.844255, "FDA_Category_D_Weighted_Contribution": -1.47366, "FDA_Category_D_Top_Rank": -0.096722, "FDA_Category_X_L1000_Similarity": -2.30012, "FDA_Category_X_Structural_Similarity": -0.652077, "FDA_Category_X_Weighted_Contribution": -1.37631, "FDA_Category_X_Top_Rank": -0.0915669, "FDA_Category_D_and_X_L1000_Similarity": -2.65526, "FDA_Category_D_and_X_Structural_Similarity": -1.02195, "FDA_Category_D_and_X_Weighted_Contribution": -1.56422, "FDA_Category_D_and_X_Top_Rank": -0.0967651, "Placenta_Crossing_L1000_Similarity": -3.5296, "Placenta_Crossing_Structural_Similarity": -1.00158, "Placenta_Crossing_Weighted_Contribution": -1.65286, "Placenta_Crossing_Top_Rank": -0.0924621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)O)C5=C2C(=O)NC5=O", "InChI_key": "IAUZTOZLTFSMIE-UHFFFAOYSA-N" } }, "CID:4396344": { "type": "Drug", "properties": { "id": "CID:4396344", "label": "5'-guanidinonaltrindole", "lsm": "LSM-1464", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4396344", "FDA_Category_D_L1000_Similarity": 0.231367, "FDA_Category_D_Structural_Similarity": -0.604419, "FDA_Category_D_Weighted_Contribution": -0.513681, "FDA_Category_D_Top_Rank": -0.0898144, "FDA_Category_X_L1000_Similarity": -0.0593394, "FDA_Category_X_Structural_Similarity": -0.567634, "FDA_Category_X_Weighted_Contribution": -0.639571, "FDA_Category_X_Top_Rank": -0.0879958, "FDA_Category_D_and_X_L1000_Similarity": 0.181426, "FDA_Category_D_and_X_Structural_Similarity": -0.786029, "FDA_Category_D_and_X_Weighted_Contribution": -0.682594, "FDA_Category_D_and_X_Top_Rank": -0.0904513, "Placenta_Crossing_L1000_Similarity": 0.247372, "Placenta_Crossing_Structural_Similarity": -0.263583, "Placenta_Crossing_Weighted_Contribution": -0.256258, "Placenta_Crossing_Top_Rank": -0.0862219, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:441074": { "type": "Drug", "properties": { "id": "CID:441074", "label": "quinidine", "lsm": "LSM-3325", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441074", "IDG_ID": "2346", "FDA_Category_D_L1000_Similarity": 0.476585, "FDA_Category_D_Structural_Similarity": -0.855291, "FDA_Category_D_Weighted_Contribution": -0.596865, "FDA_Category_D_Top_Rank": -0.0857199, "FDA_Category_X_L1000_Similarity": 2.114, "FDA_Category_X_Structural_Similarity": -0.665008, "FDA_Category_X_Weighted_Contribution": 0.269134, "FDA_Category_X_Top_Rank": 0.031067, "FDA_Category_D_and_X_L1000_Similarity": 1.05281, "FDA_Category_D_and_X_Structural_Similarity": -1.03769, "FDA_Category_D_and_X_Weighted_Contribution": -0.506657, "FDA_Category_D_and_X_Top_Rank": -0.0658068, "Placenta_Crossing_L1000_Similarity": 1.79167, "Placenta_Crossing_Structural_Similarity": -0.873421, "Placenta_Crossing_Weighted_Contribution": -0.102466, "Placenta_Crossing_Top_Rank": -0.00128709, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O", "InChI_key": "LOUPRKONTZGTKE-LHHVKLHASA-N" } }, "CID:442009": { "type": "Drug", "properties": { "id": "CID:442009", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID442009", "label": "Carnosol", "FDA_Category_D_L1000_Similarity": -0.189989, "FDA_Category_D_Structural_Similarity": 1.05244, "FDA_Category_D_Weighted_Contribution": 0.837172, "FDA_Category_D_Top_Rank": -0.0478634, "FDA_Category_X_L1000_Similarity": 0.537256, "FDA_Category_X_Structural_Similarity": -0.364466, "FDA_Category_X_Weighted_Contribution": -0.211647, "FDA_Category_X_Top_Rank": -0.0819801, "FDA_Category_D_and_X_L1000_Similarity": -0.000620199, "FDA_Category_D_and_X_Structural_Similarity": 0.63867, "FDA_Category_D_and_X_Weighted_Contribution": 0.479791, "FDA_Category_D_and_X_Top_Rank": -0.0694061, "Placenta_Crossing_L1000_Similarity": -0.592871, "Placenta_Crossing_Structural_Similarity": 0.804347, "Placenta_Crossing_Weighted_Contribution": 0.346663, "Placenta_Crossing_Top_Rank": -0.0594547, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44240264": { "type": "Drug", "properties": { "id": "CID:44240264", "label": "srt-1720", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44240264", "FDA_Category_D_L1000_Similarity": 1.68791, "FDA_Category_D_Structural_Similarity": 0.064944, "FDA_Category_D_Weighted_Contribution": 0.958779, "FDA_Category_D_Top_Rank": 0.0372685, "FDA_Category_X_L1000_Similarity": 3.10545, "FDA_Category_X_Structural_Similarity": -0.113185, "FDA_Category_X_Weighted_Contribution": 1.43341, "FDA_Category_X_Top_Rank": 0.676208, "FDA_Category_D_and_X_L1000_Similarity": 2.39808, "FDA_Category_D_and_X_Structural_Similarity": -0.009527, "FDA_Category_D_and_X_Weighted_Contribution": 1.21418, "FDA_Category_D_and_X_Top_Rank": 0.363773, "Placenta_Crossing_L1000_Similarity": 1.27729, "Placenta_Crossing_Structural_Similarity": -0.25716, "Placenta_Crossing_Weighted_Contribution": 0.234326, "Placenta_Crossing_Top_Rank": -0.0572116, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)CC2=CC(=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C5=NC6=CC=CC=C6N5", "InChI_key": "GXDSSUIUJKSVED-UHFFFAOYSA-N" } }, "CID:44247542": { "type": "Drug", "properties": { "id": "CID:44247542", "label": "vu-0402604", "lsm": "LSM-2016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44247542", "FDA_Category_D_L1000_Similarity": -1.26592, "FDA_Category_D_Structural_Similarity": -0.260411, "FDA_Category_D_Weighted_Contribution": -0.895162, "FDA_Category_D_Top_Rank": -0.0906672, "FDA_Category_X_L1000_Similarity": 0.769046, "FDA_Category_X_Structural_Similarity": -0.161431, "FDA_Category_X_Weighted_Contribution": 0.0959266, "FDA_Category_X_Top_Rank": -0.0777101, "FDA_Category_D_and_X_L1000_Similarity": -0.857693, "FDA_Category_D_and_X_Structural_Similarity": -0.293799, "FDA_Category_D_and_X_Weighted_Contribution": -0.74562, "FDA_Category_D_and_X_Top_Rank": -0.0916392, "Placenta_Crossing_L1000_Similarity": -0.676276, "Placenta_Crossing_Structural_Similarity": -0.703608, "Placenta_Crossing_Weighted_Contribution": -0.929802, "Placenta_Crossing_Top_Rank": -0.091259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)Br", "InChI_key": "QETZNYYAKOOMBS-UHFFFAOYSA-N" } }, "CID:442793": { "type": "Drug", "properties": { "id": "CID:442793", "label": "gingerol", "lsm": "LSM-2569", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442793", "FDA_Category_D_L1000_Similarity": 0.735957, "FDA_Category_D_Structural_Similarity": -0.220908, "FDA_Category_D_Weighted_Contribution": 0.0839517, "FDA_Category_D_Top_Rank": -0.0783907, "FDA_Category_X_L1000_Similarity": -0.459531, "FDA_Category_X_Structural_Similarity": 0.274611, "FDA_Category_X_Weighted_Contribution": -0.07957, "FDA_Category_X_Top_Rank": -0.0707428, "FDA_Category_D_and_X_L1000_Similarity": 0.494852, "FDA_Category_D_and_X_Structural_Similarity": -0.0271584, "FDA_Category_D_and_X_Weighted_Contribution": 0.0970732, "FDA_Category_D_and_X_Top_Rank": -0.0857171, "Placenta_Crossing_L1000_Similarity": 0.585192, "Placenta_Crossing_Structural_Similarity": 0.130297, "Placenta_Crossing_Weighted_Contribution": 0.270281, "Placenta_Crossing_Top_Rank": -0.0793068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O", "InChI_key": "NLDDIKRKFXEWBK-AWEZNQCLSA-N" } }, "CID:4429": { "type": "Drug", "properties": { "id": "CID:4429", "label": "naltriben", "lsm": "LSM-1385", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4429", "FDA_Category_D_L1000_Similarity": 0.48576, "FDA_Category_D_Structural_Similarity": -0.594464, "FDA_Category_D_Weighted_Contribution": -0.384603, "FDA_Category_D_Top_Rank": -0.0855493, "FDA_Category_X_L1000_Similarity": 2.32868, "FDA_Category_X_Structural_Similarity": -0.517981, "FDA_Category_X_Weighted_Contribution": 0.540042, "FDA_Category_X_Top_Rank": 0.08574, "FDA_Category_D_and_X_L1000_Similarity": 1.12591, "FDA_Category_D_and_X_Structural_Similarity": -0.751334, "FDA_Category_D_and_X_Weighted_Contribution": -0.238629, "FDA_Category_D_and_X_Top_Rank": -0.0607926, "Placenta_Crossing_L1000_Similarity": 1.41353, "Placenta_Crossing_Structural_Similarity": -0.239157, "Placenta_Crossing_Weighted_Contribution": 0.320914, "Placenta_Crossing_Top_Rank": -0.0473395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6", "InChI_key": "ZHVWWEYETMPAMX-UHFFFAOYSA-N" } }, "CID:444031": { "type": "Drug", "properties": { "id": "CID:444031", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID444031", "label": "darifenacin", "FDA_Category_D_L1000_Similarity": 0.817704, "FDA_Category_D_Structural_Similarity": -0.497196, "FDA_Category_D_Weighted_Contribution": -0.130158, "FDA_Category_D_Top_Rank": -0.0750516, "FDA_Category_X_L1000_Similarity": 0.475677, "FDA_Category_X_Structural_Similarity": -0.561618, "FDA_Category_X_Weighted_Contribution": -0.414939, "FDA_Category_X_Top_Rank": -0.0828238, "FDA_Category_D_and_X_L1000_Similarity": 0.849329, "FDA_Category_D_and_X_Structural_Similarity": -0.697678, "FDA_Category_D_and_X_Weighted_Contribution": -0.324652, "FDA_Category_D_and_X_Top_Rank": -0.0760227, "Placenta_Crossing_L1000_Similarity": -0.253162, "Placenta_Crossing_Structural_Similarity": 0.42317, "Placenta_Crossing_Weighted_Contribution": 0.140556, "Placenta_Crossing_Top_Rank": -0.0718608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5", "InChI_key": "HXGBXQDTNZMWGS-RUZDIDTESA-N" } }, "CID:444254": { "type": "Drug", "properties": { "id": "CID:444254", "label": "acarbose", "lsm": "LSM-4345", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/444254", "IDG_ID": "39", "FDA_Category_D_L1000_Similarity": 0.462689, "FDA_Category_D_Structural_Similarity": 1.22469, "FDA_Category_D_Weighted_Contribution": 1.44217, "FDA_Category_D_Top_Rank": -0.0389711, "FDA_Category_X_L1000_Similarity": 2.8317, "FDA_Category_X_Structural_Similarity": -0.507578, "FDA_Category_X_Weighted_Contribution": 0.829721, "FDA_Category_X_Top_Rank": 0.365217, "FDA_Category_D_and_X_L1000_Similarity": 1.25877, "FDA_Category_D_and_X_Structural_Similarity": 0.698163, "FDA_Category_D_and_X_Weighted_Contribution": 1.28811, "FDA_Category_D_and_X_Top_Rank": -0.050892, "Placenta_Crossing_L1000_Similarity": 1.64968, "Placenta_Crossing_Structural_Similarity": 0.645341, "Placenta_Crossing_Weighted_Contribution": 1.38416, "Placenta_Crossing_Top_Rank": -0.0227007, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO", "InChI_key": "XUFXOAAUWZOOIT-SXARVLRPSA-N" } }, "CID:44483247": { "type": "Drug", "properties": { "id": "CID:44483247", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44483247", "label": "prednicarbate", "FDA_Category_D_L1000_Similarity": 0.682879, "FDA_Category_D_Structural_Similarity": 3.3376, "FDA_Category_D_Weighted_Contribution": 3.43342, "FDA_Category_D_Top_Rank": 0.298432, "FDA_Category_X_L1000_Similarity": 1.57431, "FDA_Category_X_Structural_Similarity": 2.36803, "FDA_Category_X_Weighted_Contribution": 3.16386, "FDA_Category_X_Top_Rank": 0.0889073, "FDA_Category_D_and_X_L1000_Similarity": 1.06675, "FDA_Category_D_and_X_Structural_Similarity": 3.92688, "FDA_Category_D_and_X_Weighted_Contribution": 3.73226, "FDA_Category_D_and_X_Top_Rank": 0.67288, "Placenta_Crossing_L1000_Similarity": 0.896542, "Placenta_Crossing_Structural_Similarity": 0.872073, "Placenta_Crossing_Weighted_Contribution": 1.21636, "Placenta_Crossing_Top_Rank": -0.0564808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC", "InChI_key": "FNPXMHRZILFCKX-YKGOFRARSA-N" } }, "CID:44483271": { "type": "Drug", "properties": { "id": "CID:44483271", "label": "meclocycline", "lsm": "LSM-1571", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483271", "FDA_Category_D_L1000_Similarity": -0.157583, "FDA_Category_D_Structural_Similarity": 5.73216, "FDA_Category_D_Weighted_Contribution": 4.1726, "FDA_Category_D_Top_Rank": 1.74924, "FDA_Category_X_L1000_Similarity": 1.17938, "FDA_Category_X_Structural_Similarity": 0.91006, "FDA_Category_X_Weighted_Contribution": 1.50107, "FDA_Category_X_Top_Rank": -0.0451941, "FDA_Category_D_and_X_L1000_Similarity": 0.222319, "FDA_Category_D_and_X_Structural_Similarity": 5.04076, "FDA_Category_D_and_X_Weighted_Contribution": 3.9517, "FDA_Category_D_and_X_Top_Rank": 1.2974, "Placenta_Crossing_L1000_Similarity": 0.250645, "Placenta_Crossing_Structural_Similarity": 2.72877, "Placenta_Crossing_Weighted_Contribution": 2.73807, "Placenta_Crossing_Top_Rank": 0.134068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1C2C(C3C(C(=O)C4=C(C=CC(=C4C3=C)Cl)O)C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O", "InChI_key": "YKYBWGJKLYMCFI-LOXSQDDVSA-N" } }, "CID:44483291": { "type": "Drug", "properties": { "id": "CID:44483291", "label": "medrysone", "lsm": "LSM-1378", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483291", "FDA_Category_D_L1000_Similarity": 1.74799, "FDA_Category_D_Structural_Similarity": -0.726514, "FDA_Category_D_Weighted_Contribution": 0.168648, "FDA_Category_D_Top_Rank": 0.0568228, "FDA_Category_X_L1000_Similarity": 0.511114, "FDA_Category_X_Structural_Similarity": 0.72745, "FDA_Category_X_Weighted_Contribution": 0.912695, "FDA_Category_X_Top_Rank": -0.0528389, "FDA_Category_D_and_X_L1000_Similarity": 1.66202, "FDA_Category_D_and_X_Structural_Similarity": -0.184115, "FDA_Category_D_and_X_Weighted_Contribution": 0.592012, "FDA_Category_D_and_X_Top_Rank": 0.00328718, "Placenta_Crossing_L1000_Similarity": 1.37412, "Placenta_Crossing_Structural_Similarity": -0.275398, "Placenta_Crossing_Weighted_Contribution": 0.264861, "Placenta_Crossing_Top_Rank": -0.0506188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C", "InChI_key": "GZENKSODFLBBHQ-XVDJYXIYSA-N" } }, "CID:44483325": { "type": "Drug", "properties": { "id": "CID:44483325", "label": "austricine", "lsm": "LSM-3434", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483325", "FDA_Category_D_L1000_Similarity": 1.52578, "FDA_Category_D_Structural_Similarity": -0.152293, "FDA_Category_D_Weighted_Contribution": 0.623189, "FDA_Category_D_Top_Rank": -0.00256479, "FDA_Category_X_L1000_Similarity": 1.49539, "FDA_Category_X_Structural_Similarity": -0.37779, "FDA_Category_X_Weighted_Contribution": 0.245946, "FDA_Category_X_Top_Rank": -0.0473146, "FDA_Category_D_and_X_L1000_Similarity": 1.76936, "FDA_Category_D_and_X_Structural_Similarity": -0.324731, "FDA_Category_D_and_X_Weighted_Contribution": 0.509207, "FDA_Category_D_and_X_Top_Rank": 0.0268627, "Placenta_Crossing_L1000_Similarity": 1.72497, "Placenta_Crossing_Structural_Similarity": -0.806596, "Placenta_Crossing_Weighted_Contribution": -0.0724006, "Placenta_Crossing_Top_Rank": -0.011966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O", "InChI_key": "YMUOZXZDDBRJEP-KZNQNSDTSA-N" } }, "CID:44483335": { "type": "Drug", "properties": { "id": "CID:44483335", "label": "gw-311616", "lsm": "LSM-1512", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483335", "FDA_Category_D_L1000_Similarity": 0.174845, "FDA_Category_D_Structural_Similarity": -0.0606637, "FDA_Category_D_Weighted_Contribution": -0.0750417, "FDA_Category_D_Top_Rank": -0.0865973, "FDA_Category_X_L1000_Similarity": 0.790967, "FDA_Category_X_Structural_Similarity": -0.168535, "FDA_Category_X_Weighted_Contribution": 0.0998062, "FDA_Category_X_Top_Rank": -0.0771422, "FDA_Category_D_and_X_L1000_Similarity": 0.390925, "FDA_Category_D_and_X_Structural_Similarity": -0.139091, "FDA_Category_D_and_X_Weighted_Contribution": -0.0611688, "FDA_Category_D_and_X_Top_Rank": -0.0875914, "Placenta_Crossing_L1000_Similarity": 0.00813599, "Placenta_Crossing_Structural_Similarity": -0.445837, "Placenta_Crossing_Weighted_Contribution": -0.506425, "Placenta_Crossing_Top_Rank": -0.0882912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1C2C(CCN2C(=O)C=CCN3CCCCC3)N(C1=O)S(=O)(=O)C", "InChI_key": "NDNKNUMSTIMSHQ-PTJVQUAFSA-N" } }, "CID:44486991": { "type": "Drug", "properties": { "id": "CID:44486991", "label": "sa-424577", "lsm": "LSM-6659", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44486991", "FDA_Category_D_L1000_Similarity": -0.31886, "FDA_Category_X_L1000_Similarity": -1.23118, "FDA_Category_D_and_X_L1000_Similarity": -0.648744, "Placenta_Crossing_L1000_Similarity": -0.887243, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "GEPQSEIVCGMSGO-CEMVDLCSSA-N" } }, "CID:44486995": { "type": "Drug", "properties": { "id": "CID:44486995", "label": "SA-424764", "lsm": "LSM-14998", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44486995", "FDA_Category_D_L1000_Similarity": 0.411826, "FDA_Category_D_Structural_Similarity": -0.363885, "FDA_Category_D_Weighted_Contribution": -0.22375, "FDA_Category_D_Top_Rank": -0.0870104, "FDA_Category_X_L1000_Similarity": 1.47396, "FDA_Category_X_Structural_Similarity": -0.481884, "FDA_Category_X_Weighted_Contribution": 0.128441, "FDA_Category_X_Top_Rank": -0.0487406, "FDA_Category_D_and_X_L1000_Similarity": 0.80262, "FDA_Category_D_and_X_Structural_Similarity": -0.548843, "FDA_Category_D_and_X_Weighted_Contribution": -0.22025, "FDA_Category_D_and_X_Top_Rank": -0.0776255, "Placenta_Crossing_L1000_Similarity": 0.799201, "Placenta_Crossing_Structural_Similarity": 0.14569, "Placenta_Crossing_Weighted_Contribution": 0.394719, "Placenta_Crossing_Top_Rank": -0.076395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44489338": { "type": "Drug", "properties": { "id": "CID:44489338", "label": "SA-424828", "lsm": "LSM-14695", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489338", "FDA_Category_D_L1000_Similarity": 0.0307797, "FDA_Category_X_L1000_Similarity": -1.11809, "FDA_Category_D_and_X_L1000_Similarity": -0.313011, "Placenta_Crossing_L1000_Similarity": -0.0448342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44491382": { "type": "Drug", "properties": { "id": "CID:44491382", "label": "SA-97343", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44491382", "FDA_Category_D_L1000_Similarity": 0.544568, "FDA_Category_D_Structural_Similarity": -0.6357, "FDA_Category_D_Weighted_Contribution": -0.390266, "FDA_Category_D_Top_Rank": -0.0841108, "FDA_Category_X_L1000_Similarity": 0.405694, "FDA_Category_X_Structural_Similarity": 1.04738, "FDA_Category_X_Weighted_Contribution": 1.21614, "FDA_Category_X_Top_Rank": -0.0385403, "FDA_Category_D_and_X_L1000_Similarity": 0.592632, "FDA_Category_D_and_X_Structural_Similarity": 0.0605989, "FDA_Category_D_and_X_Weighted_Contribution": 0.234412, "FDA_Category_D_and_X_Top_Rank": -0.0836711, "Placenta_Crossing_L1000_Similarity": -0.123542, "Placenta_Crossing_Structural_Similarity": -0.714012, "Placenta_Crossing_Weighted_Contribution": -0.753295, "Placenta_Crossing_Top_Rank": -0.0891422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44492693": { "type": "Drug", "properties": { "id": "CID:44492693", "label": "SA-84869", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44492693", "FDA_Category_D_L1000_Similarity": -0.286958, "FDA_Category_D_Structural_Similarity": -0.823054, "FDA_Category_D_Weighted_Contribution": -0.888329, "FDA_Category_D_Top_Rank": -0.0941759, "FDA_Category_X_L1000_Similarity": -0.565759, "FDA_Category_X_Structural_Similarity": 0.456262, "FDA_Category_X_Weighted_Contribution": 0.0458077, "FDA_Category_X_Top_Rank": -0.0636191, "FDA_Category_D_and_X_L1000_Similarity": -0.419166, "FDA_Category_D_and_X_Structural_Similarity": -0.407072, "FDA_Category_D_and_X_Weighted_Contribution": -0.652302, "FDA_Category_D_and_X_Top_Rank": -0.0930416, "Placenta_Crossing_L1000_Similarity": -1.45087, "Placenta_Crossing_Structural_Similarity": -0.576148, "Placenta_Crossing_Weighted_Contribution": -1.0843, "Placenta_Crossing_Top_Rank": -0.0903654, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44493156": { "type": "Drug", "properties": { "id": "CID:44493156", "label": "SA-83851", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44493156", "FDA_Category_D_L1000_Similarity": 0.19197, "FDA_Category_X_L1000_Similarity": -0.873143, "FDA_Category_D_and_X_L1000_Similarity": -0.0996799, "Placenta_Crossing_L1000_Similarity": 0.319723, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44494477": { "type": "Drug", "properties": { "id": "CID:44494477", "label": "SA-243913", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494477", "FDA_Category_D_L1000_Similarity": 1.14623, "FDA_Category_X_L1000_Similarity": 0.660249, "FDA_Category_D_and_X_L1000_Similarity": 1.18859, "Placenta_Crossing_L1000_Similarity": 1.05892, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44494528": { "type": "Drug", "properties": { "id": "CID:44494528", "label": "SA-424763", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494528", "FDA_Category_D_L1000_Similarity": 0.846505, "FDA_Category_X_L1000_Similarity": 1.46523, "FDA_Category_D_and_X_L1000_Similarity": 1.17467, "Placenta_Crossing_L1000_Similarity": 1.10259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44507283": { "type": "Drug", "properties": { "id": "CID:44507283", "label": "SA-247592", "lsm": "LSM-15081", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507283", "FDA_Category_D_L1000_Similarity": -0.242882, "FDA_Category_D_Structural_Similarity": -0.378802, "FDA_Category_D_Weighted_Contribution": -0.554477, "FDA_Category_D_Top_Rank": -0.0926394, "FDA_Category_X_L1000_Similarity": 0.578456, "FDA_Category_X_Structural_Similarity": -0.296409, "FDA_Category_X_Weighted_Contribution": -0.128756, "FDA_Category_X_Top_Rank": -0.0813175, "FDA_Category_D_and_X_L1000_Similarity": -0.033698, "FDA_Category_D_and_X_Structural_Similarity": -0.460601, "FDA_Category_D_and_X_Weighted_Contribution": -0.5313, "FDA_Category_D_and_X_Top_Rank": -0.0924804, "Placenta_Crossing_L1000_Similarity": 0.750315, "Placenta_Crossing_Structural_Similarity": -0.288317, "Placenta_Crossing_Weighted_Contribution": -0.0505236, "Placenta_Crossing_Top_Rank": -0.0776589, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:445580": { "type": "Drug", "properties": { "id": "CID:445580", "label": "doconexent", "lsm": "LSM-2882", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/445580", "IDG_ID": "4289", "FDA_Category_D_L1000_Similarity": -1.41839, "FDA_Category_X_L1000_Similarity": 0.680899, "FDA_Category_D_and_X_L1000_Similarity": -1.0159, "Placenta_Crossing_L1000_Similarity": -0.571115, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O", "InChI_key": "MBMBGCFOFBJSGT-KUBAVDMBSA-N" } }, "CID:44602404": { "type": "Drug", "properties": { "id": "CID:44602404", "label": "ku-c104133", "lsm": "LSM-3981", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602404", "FDA_Category_D_L1000_Similarity": -0.00982242, "FDA_Category_D_Structural_Similarity": -0.83493, "FDA_Category_D_Weighted_Contribution": -0.788207, "FDA_Category_D_Top_Rank": -0.0922518, "FDA_Category_X_L1000_Similarity": -0.371157, "FDA_Category_X_Structural_Similarity": -0.501852, "FDA_Category_X_Weighted_Contribution": -0.708862, "FDA_Category_X_Top_Rank": -0.089562, "FDA_Category_D_and_X_L1000_Similarity": -0.121181, "FDA_Category_D_and_X_Structural_Similarity": -0.933492, "FDA_Category_D_and_X_Weighted_Contribution": -0.894198, "FDA_Category_D_and_X_Top_Rank": -0.0931314, "Placenta_Crossing_L1000_Similarity": -0.337293, "Placenta_Crossing_Structural_Similarity": -0.911441, "Placenta_Crossing_Weighted_Contribution": -0.95176, "Placenta_Crossing_Top_Rank": -0.0902091, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6", "InChI_key": "ATOGEGSDNGEMHT-UHFFFAOYSA-N" } }, "CID:44602407": { "type": "Drug", "properties": { "id": "CID:44602407", "label": "ku-c104230", "lsm": "LSM-2512", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602407", "FDA_Category_D_L1000_Similarity": 0.649141, "FDA_Category_D_Structural_Similarity": -0.83362, "FDA_Category_D_Weighted_Contribution": -0.501444, "FDA_Category_D_Top_Rank": -0.0811681, "FDA_Category_X_L1000_Similarity": -1.78167, "FDA_Category_X_Structural_Similarity": -0.47959, "FDA_Category_X_Weighted_Contribution": -1.15765, "FDA_Category_X_Top_Rank": -0.0895135, "FDA_Category_D_and_X_L1000_Similarity": 0.0185027, "FDA_Category_D_and_X_Structural_Similarity": -0.92044, "FDA_Category_D_and_X_Weighted_Contribution": -0.836036, "FDA_Category_D_and_X_Top_Rank": -0.0920201, "Placenta_Crossing_L1000_Similarity": 0.269913, "Placenta_Crossing_Structural_Similarity": -0.891092, "Placenta_Crossing_Weighted_Contribution": -0.737668, "Placenta_Crossing_Top_Rank": -0.0859804, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C(=O)C6=CC=CC=C6", "InChI_key": "WXHYFUVEJDZJNH-UHFFFAOYSA-N" } }, "CID:44607591": { "type": "Drug", "properties": { "id": "CID:44607591", "label": "ku-c104142", "lsm": "LSM-3567", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607591", "FDA_Category_D_L1000_Similarity": -0.585863, "FDA_Category_D_Structural_Similarity": -0.828771, "FDA_Category_D_Weighted_Contribution": -1.00044, "FDA_Category_D_Top_Rank": -0.095405, "FDA_Category_X_L1000_Similarity": -1.28889, "FDA_Category_X_Structural_Similarity": -0.489719, "FDA_Category_X_Weighted_Contribution": -1.0173, "FDA_Category_X_Top_Rank": -0.0896374, "FDA_Category_D_and_X_L1000_Similarity": -0.896432, "FDA_Category_D_and_X_Structural_Similarity": -0.922057, "FDA_Category_D_and_X_Weighted_Contribution": -1.13496, "FDA_Category_D_and_X_Top_Rank": -0.0960731, "Placenta_Crossing_L1000_Similarity": -0.631365, "Placenta_Crossing_Structural_Similarity": -0.87755, "Placenta_Crossing_Weighted_Contribution": -1.02003, "Placenta_Crossing_Top_Rank": -0.0911636, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=CSC=C5)C6=CC=CC=C6", "InChI_key": "GZZGUYFHDJOZBD-UHFFFAOYSA-N" } }, "CID:44616431": { "type": "Drug", "properties": { "id": "CID:44616431", "label": "SA-441145", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44616431", "FDA_Category_D_L1000_Similarity": -0.116694, "FDA_Category_D_Structural_Similarity": -0.33865, "FDA_Category_D_Weighted_Contribution": -0.464189, "FDA_Category_D_Top_Rank": -0.0920481, "FDA_Category_X_L1000_Similarity": 1.29794, "FDA_Category_X_Structural_Similarity": -0.186463, "FDA_Category_X_Weighted_Contribution": 0.342652, "FDA_Category_X_Top_Rank": -0.059308, "FDA_Category_D_and_X_L1000_Similarity": 0.293572, "FDA_Category_D_and_X_Structural_Similarity": -0.369405, "FDA_Category_D_and_X_Weighted_Contribution": -0.310636, "FDA_Category_D_and_X_Top_Rank": -0.0890317, "Placenta_Crossing_L1000_Similarity": 0.145715, "Placenta_Crossing_Structural_Similarity": -0.44511, "Placenta_Crossing_Weighted_Contribution": -0.450523, "Placenta_Crossing_Top_Rank": -0.0871223, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44620122": { "type": "Drug", "properties": { "id": "CID:44620122", "label": "sd-6-035-a9", "lsm": "LSM-6780", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44620122", "FDA_Category_D_L1000_Similarity": 0.0116247, "FDA_Category_X_L1000_Similarity": 0.675798, "FDA_Category_D_and_X_L1000_Similarity": 0.215247, "Placenta_Crossing_L1000_Similarity": 0.545066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-WLFCTYPLSA-N" } }, "CID:44620657": { "type": "Drug", "properties": { "id": "CID:44620657", "label": "SA-424233", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44620657", "FDA_Category_D_L1000_Similarity": -0.472497, "FDA_Category_X_L1000_Similarity": 0.0143023, "FDA_Category_D_and_X_L1000_Similarity": -0.402959, "Placenta_Crossing_L1000_Similarity": -0.962885, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:446596": { "type": "Drug", "properties": { "id": "CID:446596", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446596", "label": "mupirocin", "FDA_Category_D_L1000_Similarity": 0.212504, "FDA_Category_D_Structural_Similarity": -0.0852995, "FDA_Category_D_Weighted_Contribution": -0.0774296, "FDA_Category_D_Top_Rank": -0.0872115, "FDA_Category_X_L1000_Similarity": 0.341011, "FDA_Category_X_Structural_Similarity": 0.707774, "FDA_Category_X_Weighted_Contribution": 0.795023, "FDA_Category_X_Top_Rank": -0.0539028, "FDA_Category_D_and_X_L1000_Similarity": 0.286745, "FDA_Category_D_and_X_Structural_Similarity": 0.314209, "FDA_Category_D_and_X_Weighted_Contribution": 0.315339, "FDA_Category_D_and_X_Top_Rank": -0.0790488, "Placenta_Crossing_L1000_Similarity": 0.517716, "Placenta_Crossing_Structural_Similarity": 0.182478, "Placenta_Crossing_Weighted_Contribution": 0.288129, "Placenta_Crossing_Top_Rank": -0.0782564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O", "InChI_key": "MINDHVHHQZYEEK-HBBNESRFSA-N" } }, "CID:44721090": { "type": "Drug", "properties": { "id": "CID:44721090", "label": "methoxypyruvic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44721090", "FDA_Category_D_L1000_Similarity": 0.189153, "FDA_Category_D_Structural_Similarity": -0.430283, "FDA_Category_D_Weighted_Contribution": -0.39252, "FDA_Category_D_Top_Rank": -0.090331, "FDA_Category_X_L1000_Similarity": 1.39434, "FDA_Category_X_Structural_Similarity": -0.71113, "FDA_Category_X_Weighted_Contribution": -0.134852, "FDA_Category_X_Top_Rank": -0.0536868, "FDA_Category_D_and_X_L1000_Similarity": 0.586484, "FDA_Category_D_and_X_Structural_Similarity": -0.725244, "FDA_Category_D_and_X_Weighted_Contribution": -0.466735, "FDA_Category_D_and_X_Top_Rank": -0.0838203, "Placenta_Crossing_L1000_Similarity": 0.38298, "Placenta_Crossing_Structural_Similarity": -0.567846, "Placenta_Crossing_Weighted_Contribution": -0.452424, "Placenta_Crossing_Top_Rank": -0.0846558, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44818131": { "type": "Drug", "properties": { "id": "CID:44818131", "label": "diaminoquinazoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44818131", "FDA_Category_D_L1000_Similarity": -1.06401, "FDA_Category_D_Structural_Similarity": -0.472505, "FDA_Category_D_Weighted_Contribution": -0.954215, "FDA_Category_D_Top_Rank": -0.0938156, "FDA_Category_X_L1000_Similarity": -0.335689, "FDA_Category_X_Structural_Similarity": -0.376445, "FDA_Category_X_Weighted_Contribution": -0.59785, "FDA_Category_X_Top_Rank": -0.0878205, "FDA_Category_D_and_X_L1000_Similarity": -1.01913, "FDA_Category_D_and_X_Structural_Similarity": -0.578162, "FDA_Category_D_and_X_Weighted_Contribution": -0.983712, "FDA_Category_D_and_X_Top_Rank": -0.0946387, "Placenta_Crossing_L1000_Similarity": -1.17557, "Placenta_Crossing_Structural_Similarity": -0.161135, "Placenta_Crossing_Weighted_Contribution": -0.740001, "Placenta_Crossing_Top_Rank": -0.0853658, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44907120": { "type": "Drug", "properties": { "id": "CID:44907120", "label": "vu-0413243-1", "lsm": "LSM-2972", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44907120", "FDA_Category_D_L1000_Similarity": -0.443681, "FDA_Category_D_Structural_Similarity": 0.00555563, "FDA_Category_D_Weighted_Contribution": -0.337692, "FDA_Category_D_Top_Rank": -0.0850653, "FDA_Category_X_L1000_Similarity": 1.42306, "FDA_Category_X_Structural_Similarity": -0.498913, "FDA_Category_X_Weighted_Contribution": 0.085696, "FDA_Category_X_Top_Rank": -0.0516829, "FDA_Category_D_and_X_L1000_Similarity": 0.0496998, "FDA_Category_D_and_X_Structural_Similarity": -0.264802, "FDA_Category_D_and_X_Weighted_Contribution": -0.337461, "FDA_Category_D_and_X_Top_Rank": -0.0912079, "Placenta_Crossing_L1000_Similarity": -0.51204, "Placenta_Crossing_Structural_Similarity": -0.118967, "Placenta_Crossing_Weighted_Contribution": -0.456565, "Placenta_Crossing_Top_Rank": -0.0845672, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCOC4=CC=C(C=C4)Cl", "InChI_key": "ZNPOXTWCYGKAHQ-UHFFFAOYSA-N" } }, "CID:449215": { "type": "Drug", "properties": { "id": "CID:449215", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID449215", "label": "Cycloserine", "FDA_Category_D_L1000_Similarity": -0.501975, "FDA_Category_D_Structural_Similarity": 0.039241, "FDA_Category_D_Weighted_Contribution": -0.338076, "FDA_Category_D_Top_Rank": -0.0842298, "FDA_Category_X_L1000_Similarity": 0.0415061, "FDA_Category_X_Structural_Similarity": -0.759157, "FDA_Category_X_Weighted_Contribution": -0.746823, "FDA_Category_X_Top_Rank": -0.087304, "FDA_Category_D_and_X_L1000_Similarity": -0.420107, "FDA_Category_D_and_X_Structural_Similarity": -0.378492, "FDA_Category_D_and_X_Weighted_Contribution": -0.631936, "FDA_Category_D_and_X_Top_Rank": -0.0927383, "Placenta_Crossing_L1000_Similarity": -0.387184, "Placenta_Crossing_Structural_Similarity": 0.178008, "Placenta_Crossing_Weighted_Contribution": -0.151038, "Placenta_Crossing_Top_Rank": -0.0783379, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:45115620": { "type": "Drug", "properties": { "id": "CID:45115620", "label": "vu-0413807-2", "lsm": "LSM-1620", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45115620", "FDA_Category_D_L1000_Similarity": -0.209353, "FDA_Category_D_Structural_Similarity": -0.777846, "FDA_Category_D_Weighted_Contribution": -0.828736, "FDA_Category_D_Top_Rank": -0.093744, "FDA_Category_X_L1000_Similarity": -0.772252, "FDA_Category_X_Structural_Similarity": -0.652773, "FDA_Category_X_Weighted_Contribution": -0.956248, "FDA_Category_X_Top_Rank": -0.0908147, "FDA_Category_D_and_X_L1000_Similarity": -0.414978, "FDA_Category_D_and_X_Structural_Similarity": -0.96962, "FDA_Category_D_and_X_Weighted_Contribution": -1.01424, "FDA_Category_D_and_X_Top_Rank": -0.0947366, "Placenta_Crossing_L1000_Similarity": 0.0227759, "Placenta_Crossing_Structural_Similarity": -0.640002, "Placenta_Crossing_Weighted_Contribution": -0.647868, "Placenta_Crossing_Top_Rank": -0.0881822, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CCN1CC2C(C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl", "InChI_key": "GSJIGYLGKSBYBC-ALOPSCKCSA-N" } }, "CID:4514": { "type": "Drug", "properties": { "id": "CID:4514", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4514", "label": "nizofenone", "FDA_Category_D_L1000_Similarity": 0.883532, "FDA_Category_D_Structural_Similarity": 2.05358, "FDA_Category_D_Weighted_Contribution": 2.54225, "FDA_Category_D_Top_Rank": 0.0572696, "FDA_Category_X_L1000_Similarity": 1.18546, "FDA_Category_X_Structural_Similarity": -0.466415, "FDA_Category_X_Weighted_Contribution": 0.000107024, "FDA_Category_X_Top_Rank": -0.064877, "FDA_Category_D_and_X_L1000_Similarity": 1.12162, "FDA_Category_D_and_X_Structural_Similarity": 1.37828, "FDA_Category_D_and_X_Weighted_Contribution": 1.92145, "FDA_Category_D_and_X_Top_Rank": -0.0249229, "Placenta_Crossing_L1000_Similarity": 1.14871, "Placenta_Crossing_Structural_Similarity": 0.0421554, "Placenta_Crossing_Weighted_Contribution": 0.470022, "Placenta_Crossing_Top_Rank": -0.0644625, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl", "InChI_key": "WZGBZLHGOVJDET-UHFFFAOYSA-N" } }, "CID:45259133": { "type": "Drug", "properties": { "id": "CID:45259133", "label": "vu-0415113-1", "lsm": "LSM-3081", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45259133", "FDA_Category_D_L1000_Similarity": -1.43563, "FDA_Category_D_Structural_Similarity": -0.915075, "FDA_Category_D_Weighted_Contribution": -1.30472, "FDA_Category_D_Top_Rank": -0.0967048, "FDA_Category_X_L1000_Similarity": -1.36873, "FDA_Category_X_Structural_Similarity": 1.80508, "FDA_Category_X_Weighted_Contribution": 1.06779, "FDA_Category_X_Top_Rank": 0.0154109, "FDA_Category_D_and_X_L1000_Similarity": -1.65319, "FDA_Category_D_and_X_Structural_Similarity": 0.247709, "FDA_Category_D_and_X_Weighted_Contribution": -0.678816, "FDA_Category_D_and_X_Top_Rank": -0.0806052, "Placenta_Crossing_L1000_Similarity": -1.20462, "Placenta_Crossing_Structural_Similarity": -1.03183, "Placenta_Crossing_Weighted_Contribution": -1.25174, "Placenta_Crossing_Top_Rank": -0.0920429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)CC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F", "InChI_key": "YTEAWAWQLOHQNN-UHFFFAOYSA-N" } }, "CID:45281794": { "type": "Drug", "properties": { "id": "CID:45281794", "label": "vu-0365114-2", "lsm": "LSM-2831", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45281794", "FDA_Category_D_L1000_Similarity": -1.16726, "FDA_Category_D_Structural_Similarity": -0.64843, "FDA_Category_D_Weighted_Contribution": -1.09246, "FDA_Category_D_Top_Rank": -0.0954526, "FDA_Category_X_L1000_Similarity": 0.177979, "FDA_Category_X_Structural_Similarity": -0.41739, "FDA_Category_X_Weighted_Contribution": -0.419013, "FDA_Category_X_Top_Rank": -0.0861598, "FDA_Category_D_and_X_L1000_Similarity": -0.952145, "FDA_Category_D_and_X_Structural_Similarity": -0.73989, "FDA_Category_D_and_X_Weighted_Contribution": -1.05437, "FDA_Category_D_and_X_Top_Rank": -0.0956381, "Placenta_Crossing_L1000_Similarity": -0.784205, "Placenta_Crossing_Structural_Similarity": -0.608225, "Placenta_Crossing_Weighted_Contribution": -0.904509, "Placenta_Crossing_Top_Rank": -0.0906269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OC(F)(F)F)C(=O)C3=O", "InChI_key": "SPBGRXOPAXZSER-UHFFFAOYSA-N" } }, "CID:4539": { "type": "Drug", "properties": { "id": "CID:4539", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4539", "label": "norfloxacin", "ref": "LSM-5286", "FDA_Category_D_L1000_Similarity": -0.97626, "FDA_Category_D_Structural_Similarity": -0.355179, "FDA_Category_D_Weighted_Contribution": -0.84634, "FDA_Category_D_Top_Rank": -0.0922744, "FDA_Category_X_L1000_Similarity": 0.518748, "FDA_Category_X_Structural_Similarity": 1.36896, "FDA_Category_X_Weighted_Contribution": 1.64653, "FDA_Category_X_Top_Rank": -0.016592, "FDA_Category_D_and_X_L1000_Similarity": -0.684014, "FDA_Category_D_and_X_Structural_Similarity": 0.456776, "FDA_Category_D_and_X_Weighted_Contribution": -0.0672714, "FDA_Category_D_and_X_Top_Rank": -0.0752913, "Placenta_Crossing_L1000_Similarity": 0.561727, "Placenta_Crossing_Structural_Similarity": 0.745658, "Placenta_Crossing_Weighted_Contribution": 0.896884, "Placenta_Crossing_Top_Rank": -0.0614908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O", "InChI_key": "OGJPXUAPXNRGGI-UHFFFAOYSA-N" } }, "CID:45489398": { "type": "Drug", "properties": { "id": "CID:45489398", "label": "vu-0415533-1", "lsm": "LSM-1667", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45489398", "FDA_Category_D_L1000_Similarity": -0.531206, "FDA_Category_D_Structural_Similarity": -0.346633, "FDA_Category_D_Weighted_Contribution": -0.657908, "FDA_Category_D_Top_Rank": -0.0921582, "FDA_Category_X_L1000_Similarity": -1.0441, "FDA_Category_X_Structural_Similarity": 0.253429, "FDA_Category_X_Weighted_Contribution": -0.367617, "FDA_Category_X_Top_Rank": -0.0714615, "FDA_Category_D_and_X_L1000_Similarity": -0.774986, "FDA_Category_D_and_X_Structural_Similarity": -0.138378, "FDA_Category_D_and_X_Weighted_Contribution": -0.601649, "FDA_Category_D_and_X_Top_Rank": -0.0890693, "Placenta_Crossing_L1000_Similarity": -0.458811, "Placenta_Crossing_Structural_Similarity": 0.0246147, "Placenta_Crossing_Weighted_Contribution": -0.31615, "Placenta_Crossing_Top_Rank": -0.0818125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CN=CN3", "InChI_key": "AJXIAISTEXNTHM-UHFFFAOYSA-N" } }, "CID:4574540": { "type": "Drug", "properties": { "id": "CID:4574540", "label": "irl-2500", "lsm": "LSM-1631", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4574540", "FDA_Category_D_L1000_Similarity": 0.0850094, "FDA_Category_D_Structural_Similarity": -0.512123, "FDA_Category_D_Weighted_Contribution": -0.508465, "FDA_Category_D_Top_Rank": -0.0914601, "FDA_Category_X_L1000_Similarity": 1.72416, "FDA_Category_X_Structural_Similarity": 0.451222, "FDA_Category_X_Weighted_Contribution": 1.28875, "FDA_Category_X_Top_Rank": -0.0281263, "FDA_Category_D_and_X_L1000_Similarity": 0.596867, "FDA_Category_D_and_X_Structural_Similarity": -0.163002, "FDA_Category_D_and_X_Weighted_Contribution": 0.0231313, "FDA_Category_D_and_X_Top_Rank": -0.0835329, "Placenta_Crossing_L1000_Similarity": 0.603454, "Placenta_Crossing_Structural_Similarity": -0.495914, "Placenta_Crossing_Weighted_Contribution": -0.300572, "Placenta_Crossing_Top_Rank": -0.0809431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)C", "InChI_key": "UZDORQWMYRRLQV-UHFFFAOYSA-N" } }, "CID:4592": { "type": "Drug", "properties": { "id": "CID:4592", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4592", "label": "olomoucine", "FDA_Category_D_L1000_Similarity": 0.779066, "FDA_Category_D_Structural_Similarity": -0.629099, "FDA_Category_D_Weighted_Contribution": -0.267742, "FDA_Category_D_Top_Rank": -0.0768025, "FDA_Category_X_L1000_Similarity": 0.272779, "FDA_Category_X_Structural_Similarity": -0.672963, "FDA_Category_X_Weighted_Contribution": -0.5915, "FDA_Category_X_Top_Rank": -0.0852132, "FDA_Category_D_and_X_L1000_Similarity": 0.754402, "FDA_Category_D_and_X_Structural_Similarity": -0.862452, "FDA_Category_D_and_X_Weighted_Contribution": -0.500474, "FDA_Category_D_and_X_Top_Rank": -0.0793849, "Placenta_Crossing_L1000_Similarity": 0.983537, "Placenta_Crossing_Structural_Similarity": -0.54584, "Placenta_Crossing_Weighted_Contribution": -0.176398, "Placenta_Crossing_Top_Rank": -0.0709925, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3", "InChI_key": "GTVPOLSIJWJJNY-UHFFFAOYSA-N" } }, "CID:4608": { "type": "Drug", "properties": { "id": "CID:4608", "label": "micropenin", "lsm": "LSM-4952", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4608", "FDA_Category_D_L1000_Similarity": -0.290032, "FDA_Category_D_Structural_Similarity": 0.478498, "FDA_Category_D_Weighted_Contribution": 0.180038, "FDA_Category_D_Top_Rank": -0.0717525, "FDA_Category_X_L1000_Similarity": 1.14359, "FDA_Category_X_Structural_Similarity": 2.66173, "FDA_Category_X_Weighted_Contribution": 3.22571, "FDA_Category_X_Top_Rank": 0.139722, "FDA_Category_D_and_X_L1000_Similarity": 0.09727, "FDA_Category_D_and_X_Structural_Similarity": 1.81605, "FDA_Category_D_and_X_Weighted_Contribution": 1.78146, "FDA_Category_D_and_X_Top_Rank": 0.017079, "Placenta_Crossing_L1000_Similarity": 0.371554, "Placenta_Crossing_Structural_Similarity": 6.48929, "Placenta_Crossing_Weighted_Contribution": 4.27915, "Placenta_Crossing_Top_Rank": 3.08683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O", "InChI_key": "UWYHMGVUTGAWSP-UHFFFAOYSA-N" } }, "CID:46215462": { "type": "Drug", "properties": { "id": "CID:46215462", "label": "r-428", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46215462", "FDA_Category_D_L1000_Similarity": -1.13017, "FDA_Category_D_Structural_Similarity": 0.392445, "FDA_Category_D_Weighted_Contribution": -0.350489, "FDA_Category_D_Top_Rank": -0.0745484, "FDA_Category_X_L1000_Similarity": 3.11057, "FDA_Category_X_Structural_Similarity": 1.83352, "FDA_Category_X_Weighted_Contribution": 3.34389, "FDA_Category_X_Top_Rank": 0.698978, "FDA_Category_D_and_X_L1000_Similarity": -0.0296127, "FDA_Category_D_and_X_Structural_Similarity": 1.30085, "FDA_Category_D_and_X_Weighted_Contribution": 1.16007, "FDA_Category_D_and_X_Top_Rank": -0.0318044, "Placenta_Crossing_L1000_Similarity": -0.628893, "Placenta_Crossing_Structural_Similarity": -0.464955, "Placenta_Crossing_Weighted_Contribution": -0.758337, "Placenta_Crossing_Top_Rank": -0.0893671, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76", "InChI_key": "KXMZDGSRSGHMMK-VWLOTQADSA-N" } }, "CID:46695": { "type": "Drug", "properties": { "id": "CID:46695", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46695", "label": "Salsoline", "FDA_Category_D_L1000_Similarity": 1.05322, "FDA_Category_D_Structural_Similarity": 0.653409, "FDA_Category_D_Weighted_Contribution": 1.1956, "FDA_Category_D_Top_Rank": -0.0620854, "FDA_Category_X_L1000_Similarity": -0.338607, "FDA_Category_X_Structural_Similarity": 0.155049, "FDA_Category_X_Weighted_Contribution": -0.135795, "FDA_Category_X_Top_Rank": -0.0750423, "FDA_Category_D_and_X_L1000_Similarity": 0.805061, "FDA_Category_D_and_X_Structural_Similarity": 0.602283, "FDA_Category_D_and_X_Weighted_Contribution": 0.913589, "FDA_Category_D_and_X_Top_Rank": -0.0707584, "Placenta_Crossing_L1000_Similarity": 0.131817, "Placenta_Crossing_Structural_Similarity": 0.173659, "Placenta_Crossing_Weighted_Contribution": 0.0884955, "Placenta_Crossing_Top_Rank": -0.0784151, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46697": { "type": "Drug", "properties": { "id": "CID:46697", "label": "isosalsoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46697", "FDA_Category_D_L1000_Similarity": -0.173843, "FDA_Category_D_Structural_Similarity": 0.653409, "FDA_Category_D_Weighted_Contribution": 0.425068, "FDA_Category_D_Top_Rank": -0.0656855, "FDA_Category_X_L1000_Similarity": 0.154134, "FDA_Category_X_Structural_Similarity": 0.155049, "FDA_Category_X_Weighted_Contribution": 0.104739, "FDA_Category_X_Top_Rank": -0.0750423, "FDA_Category_D_and_X_L1000_Similarity": -0.103046, "FDA_Category_D_and_X_Structural_Similarity": 0.602283, "FDA_Category_D_and_X_Weighted_Contribution": 0.384831, "FDA_Category_D_and_X_Top_Rank": -0.0707584, "Placenta_Crossing_L1000_Similarity": -0.195597, "Placenta_Crossing_Structural_Similarity": 0.173659, "Placenta_Crossing_Weighted_Contribution": -0.0669632, "Placenta_Crossing_Top_Rank": -0.0784151, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4671": { "type": "Drug", "properties": { "id": "CID:4671", "label": "palmidrol", "lsm": "LSM-3518", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4671", "FDA_Category_D_L1000_Similarity": 0.797636, "FDA_Category_D_Structural_Similarity": -0.871755, "FDA_Category_D_Weighted_Contribution": -0.462321, "FDA_Category_D_Top_Rank": -0.0760705, "FDA_Category_X_L1000_Similarity": -0.461805, "FDA_Category_X_Structural_Similarity": 0.442884, "FDA_Category_X_Weighted_Contribution": 0.0842955, "FDA_Category_X_Top_Rank": -0.0642598, "FDA_Category_D_and_X_L1000_Similarity": 0.547329, "FDA_Category_D_and_X_Structural_Similarity": -0.452945, "FDA_Category_D_and_X_Weighted_Contribution": -0.260891, "FDA_Category_D_and_X_Top_Rank": -0.0847453, "Placenta_Crossing_L1000_Similarity": 2.14228, "Placenta_Crossing_Structural_Similarity": -0.874258, "Placenta_Crossing_Weighted_Contribution": 0.0618581, "Placenta_Crossing_Top_Rank": 0.0883903, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCCC(=O)NCCO", "InChI_key": "HXYVTAGFYLMHSO-UHFFFAOYSA-N" } }, "CID:46783527": { "type": "Drug", "properties": { "id": "CID:46783527", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46783527", "label": "taurocholic-acid", "FDA_Category_D_L1000_Similarity": 0.543446, "FDA_Category_D_Structural_Similarity": -0.686351, "FDA_Category_D_Weighted_Contribution": -0.432599, "FDA_Category_D_Top_Rank": -0.0841611, "FDA_Category_X_L1000_Similarity": 1.15216, "FDA_Category_X_Structural_Similarity": 0.127435, "FDA_Category_X_Weighted_Contribution": 0.601896, "FDA_Category_X_Top_Rank": -0.0662701, "FDA_Category_D_and_X_L1000_Similarity": 0.818353, "FDA_Category_D_and_X_Structural_Similarity": -0.476002, "FDA_Category_D_and_X_Weighted_Contribution": -0.148634, "FDA_Category_D_and_X_Top_Rank": -0.0770501, "Placenta_Crossing_L1000_Similarity": 0.954559, "Placenta_Crossing_Structural_Similarity": 1.14465, "Placenta_Crossing_Weighted_Contribution": 1.54172, "Placenta_Crossing_Top_Rank": -0.0429602, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C", "InChI_key": "WBWWGRHZICKQGZ-IECFWMJSSA-N" } }, "CID:46844147": { "type": "Drug", "properties": { "id": "CID:46844147", "label": "xmd-885", "lsm": "LSM-1093", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46844147", "FDA_Category_D_L1000_Similarity": -1.08888, "FDA_Category_D_Structural_Similarity": -0.559741, "FDA_Category_D_Weighted_Contribution": -1.01557, "FDA_Category_D_Top_Rank": -0.0946931, "FDA_Category_X_L1000_Similarity": -1.61859, "FDA_Category_X_Structural_Similarity": 0.533011, "FDA_Category_X_Weighted_Contribution": -0.374519, "FDA_Category_X_Top_Rank": -0.0604582, "FDA_Category_D_and_X_L1000_Similarity": -1.43017, "FDA_Category_D_and_X_Structural_Similarity": -0.156664, "FDA_Category_D_and_X_Weighted_Contribution": -0.867067, "FDA_Category_D_and_X_Top_Rank": -0.0894239, "Placenta_Crossing_L1000_Similarity": -1.29698, "Placenta_Crossing_Structural_Similarity": 1.71301, "Placenta_Crossing_Weighted_Contribution": 0.923073, "Placenta_Crossing_Top_Rank": 0.000303715, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC", "InChI_key": "DDTPGANIPBKTNU-UHFFFAOYSA-N" } }, "CID:46848036": { "type": "Drug", "properties": { "id": "CID:46848036", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46848036", "label": "flumatinib", "FDA_Category_D_L1000_Similarity": 0.573518, "FDA_Category_D_Structural_Similarity": -0.812857, "FDA_Category_D_Weighted_Contribution": -0.520057, "FDA_Category_D_Top_Rank": -0.0833712, "FDA_Category_X_L1000_Similarity": 2.99349, "FDA_Category_X_Structural_Similarity": -0.713421, "FDA_Category_X_Weighted_Contribution": 0.690602, "FDA_Category_X_Top_Rank": 0.54718, "FDA_Category_D_and_X_L1000_Similarity": 1.40346, "FDA_Category_D_and_X_Structural_Similarity": -1.03013, "FDA_Category_D_and_X_Weighted_Contribution": -0.342827, "FDA_Category_D_and_X_Top_Rank": -0.0361219, "Placenta_Crossing_L1000_Similarity": 1.14645, "Placenta_Crossing_Structural_Similarity": -0.852057, "Placenta_Crossing_Weighted_Contribution": -0.368342, "Placenta_Crossing_Top_Rank": -0.0645681, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5", "InChI_key": "BJCJYEYYYGBROF-UHFFFAOYSA-N" } }, "CID:46898058": { "type": "Drug", "properties": { "id": "CID:46898058", "label": "GSK-923295", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46898058", "FDA_Category_D_L1000_Similarity": 0.91324, "FDA_Category_D_Structural_Similarity": -0.421477, "FDA_Category_D_Weighted_Contribution": -0.00824115, "FDA_Category_D_Top_Rank": -0.0707437, "FDA_Category_X_L1000_Similarity": 0.0686554, "FDA_Category_X_Structural_Similarity": 0.297427, "FDA_Category_X_Weighted_Contribution": 0.205991, "FDA_Category_X_Top_Rank": -0.0699116, "FDA_Category_D_and_X_L1000_Similarity": 0.808072, "FDA_Category_D_and_X_Structural_Similarity": -0.174042, "FDA_Category_D_and_X_Weighted_Contribution": 0.124382, "FDA_Category_D_and_X_Top_Rank": -0.0774442, "Placenta_Crossing_L1000_Similarity": 0.376466, "Placenta_Crossing_Structural_Similarity": -0.328619, "Placenta_Crossing_Weighted_Contribution": -0.255867, "Placenta_Crossing_Top_Rank": -0.0847586, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46903876": { "type": "Drug", "properties": { "id": "CID:46903876", "label": "sd-6-035-a12", "lsm": "LSM-6813", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46903876", "FDA_Category_D_L1000_Similarity": -0.53055, "FDA_Category_X_L1000_Similarity": 0.380777, "FDA_Category_D_and_X_L1000_Similarity": -0.341703, "Placenta_Crossing_L1000_Similarity": -0.223737, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-ZJKUCEDFSA-N" } }, "CID:46912230": { "type": "Drug", "properties": { "id": "CID:46912230", "label": "vs-5584", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46912230", "FDA_Category_D_L1000_Similarity": -1.8464, "FDA_Category_D_Structural_Similarity": -0.699155, "FDA_Category_D_Weighted_Contribution": -1.31573, "FDA_Category_D_Top_Rank": -0.0958397, "FDA_Category_X_L1000_Similarity": -0.897301, "FDA_Category_X_Structural_Similarity": -0.573097, "FDA_Category_X_Weighted_Contribution": -0.94504, "FDA_Category_X_Top_Rank": -0.0907682, "FDA_Category_D_and_X_L1000_Similarity": -1.86412, "FDA_Category_D_and_X_Structural_Similarity": -0.864169, "FDA_Category_D_and_X_Weighted_Contribution": -1.35689, "FDA_Category_D_and_X_Top_Rank": -0.0962512, "Placenta_Crossing_L1000_Similarity": -0.667465, "Placenta_Crossing_Structural_Similarity": -0.849742, "Placenta_Crossing_Weighted_Contribution": -1.01454, "Placenta_Crossing_Top_Rank": -0.0912405, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N", "InChI_key": "QYBGBLQCOOISAR-UHFFFAOYSA-N" } }, "CID:4806": { "type": "Drug", "properties": { "id": "CID:4806", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4806", "label": "phthalylsulfathiazole", "FDA_Category_D_L1000_Similarity": 0.965488, "FDA_Category_D_Structural_Similarity": -0.553174, "FDA_Category_D_Weighted_Contribution": -0.102233, "FDA_Category_D_Top_Rank": -0.0672194, "FDA_Category_X_L1000_Similarity": 0.294573, "FDA_Category_X_Structural_Similarity": -0.300209, "FDA_Category_X_Weighted_Contribution": -0.263986, "FDA_Category_X_Top_Rank": -0.0849966, "FDA_Category_D_and_X_L1000_Similarity": 0.921719, "FDA_Category_D_and_X_Structural_Similarity": -0.601053, "FDA_Category_D_and_X_Weighted_Contribution": -0.207609, "FDA_Category_D_and_X_Top_Rank": -0.0730752, "Placenta_Crossing_L1000_Similarity": 1.06789, "Placenta_Crossing_Structural_Similarity": -0.0273848, "Placenta_Crossing_Weighted_Contribution": 0.357527, "Placenta_Crossing_Top_Rank": -0.0678374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O", "InChI_key": "PBMSWVPMRUJMPE-UHFFFAOYSA-N" } }, "CID:4813": { "type": "Drug", "properties": { "id": "CID:4813", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4813", "label": "piceatannol", "FDA_Category_D_L1000_Similarity": -2.14234, "FDA_Category_X_L1000_Similarity": 0.243415, "FDA_Category_D_and_X_L1000_Similarity": -1.7728, "Placenta_Crossing_L1000_Similarity": -2.22813, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O", "InChI_key": "CDRPUGZCRXZLFL-UHFFFAOYSA-N" } }, "CID:4814": { "type": "Drug", "properties": { "id": "CID:4814", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4814", "label": "picotamide", "FDA_Category_D_L1000_Similarity": 0.745812, "FDA_Category_D_Structural_Similarity": -0.43588, "FDA_Category_D_Weighted_Contribution": -0.112626, "FDA_Category_D_Top_Rank": -0.0779789, "FDA_Category_X_L1000_Similarity": 0.222129, "FDA_Category_X_Structural_Similarity": 0.421401, "FDA_Category_X_Weighted_Contribution": 0.416419, "FDA_Category_X_Top_Rank": -0.0649375, "FDA_Category_D_and_X_L1000_Similarity": 0.710348, "FDA_Category_D_and_X_Structural_Similarity": -0.118577, "FDA_Category_D_and_X_Weighted_Contribution": 0.125035, "FDA_Category_D_and_X_Top_Rank": -0.0809421, "Placenta_Crossing_L1000_Similarity": 1.86645, "Placenta_Crossing_Structural_Similarity": 0.498871, "Placenta_Crossing_Weighted_Contribution": 1.34478, "Placenta_Crossing_Top_Rank": 0.013089, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3", "InChI_key": "KYWCWBXGRWWINE-UHFFFAOYSA-N" } }, "CID:4849": { "type": "Drug", "properties": { "id": "CID:4849", "label": "piretanide", "lsm": "LSM-3959", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4849", "IDG_ID": "2201", "FDA_Category_D_L1000_Similarity": -0.338146, "FDA_Category_D_Structural_Similarity": -0.420117, "FDA_Category_D_Weighted_Contribution": -0.628499, "FDA_Category_D_Top_Rank": -0.0931657, "FDA_Category_X_L1000_Similarity": 0.956532, "FDA_Category_X_Structural_Similarity": 2.77331, "FDA_Category_X_Weighted_Contribution": 3.23969, "FDA_Category_X_Top_Rank": 0.158872, "FDA_Category_D_and_X_L1000_Similarity": -0.0010074, "FDA_Category_D_and_X_Structural_Similarity": 1.16301, "FDA_Category_D_and_X_Weighted_Contribution": 1.0297, "FDA_Category_D_and_X_Top_Rank": -0.0416987, "Placenta_Crossing_L1000_Similarity": 0.682678, "Placenta_Crossing_Structural_Similarity": -0.103273, "Placenta_Crossing_Weighted_Contribution": 0.0909048, "Placenta_Crossing_Top_Rank": -0.0793135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3", "InChI_key": "UJEWTUDSLQGTOA-UHFFFAOYSA-N" } }, "CID:4850": { "type": "Drug", "properties": { "id": "CID:4850", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4850", "label": "piribedil", "FDA_Category_D_L1000_Similarity": 0.310028, "FDA_Category_D_Structural_Similarity": 0.206656, "FDA_Category_D_Weighted_Contribution": 0.259028, "FDA_Category_D_Top_Rank": -0.0797506, "FDA_Category_X_L1000_Similarity": 0.0922284, "FDA_Category_X_Structural_Similarity": 0.0361808, "FDA_Category_X_Weighted_Contribution": -0.043235, "FDA_Category_X_Top_Rank": -0.078893, "FDA_Category_D_and_X_L1000_Similarity": 0.295263, "FDA_Category_D_and_X_Structural_Similarity": 0.183549, "FDA_Category_D_and_X_Weighted_Contribution": 0.191835, "FDA_Category_D_and_X_Top_Rank": -0.0819566, "Placenta_Crossing_L1000_Similarity": 0.89042, "Placenta_Crossing_Structural_Similarity": -0.526766, "Placenta_Crossing_Weighted_Contribution": -0.201284, "Placenta_Crossing_Top_Rank": -0.0739242, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4", "InChI_key": "OQDPVLVUJFGPGQ-UHFFFAOYSA-N" } }, "CID:4887": { "type": "Drug", "properties": { "id": "CID:4887", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4887", "label": "pranlukast", "FDA_Category_D_L1000_Similarity": -0.279992, "FDA_Category_D_Structural_Similarity": 4.30078, "FDA_Category_D_Weighted_Contribution": 3.65355, "FDA_Category_D_Top_Rank": 0.717206, "FDA_Category_X_L1000_Similarity": 1.52229, "FDA_Category_X_Structural_Similarity": -0.619789, "FDA_Category_X_Weighted_Contribution": 0.0150115, "FDA_Category_X_Top_Rank": -0.0455513, "FDA_Category_D_and_X_L1000_Similarity": 0.220929, "FDA_Category_D_and_X_Structural_Similarity": 3.07915, "FDA_Category_D_and_X_Weighted_Contribution": 2.98538, "FDA_Category_D_and_X_Top_Rank": 0.23671, "Placenta_Crossing_L1000_Similarity": -0.128116, "Placenta_Crossing_Structural_Similarity": 1.24495, "Placenta_Crossing_Weighted_Contribution": 1.05755, "Placenta_Crossing_Top_Rank": -0.0366543, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5", "InChI_key": "NBQKINXMPLXUET-UHFFFAOYSA-N" } }, "CID:4888": { "type": "Drug", "properties": { "id": "CID:4888", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4888", "label": "pranoprofen", "FDA_Category_D_L1000_Similarity": 0.293434, "FDA_Category_D_Structural_Similarity": -0.879507, "FDA_Category_D_Weighted_Contribution": -0.694426, "FDA_Category_D_Top_Rank": -0.0889459, "FDA_Category_X_L1000_Similarity": -0.0151253, "FDA_Category_X_Structural_Similarity": -0.653167, "FDA_Category_X_Weighted_Contribution": -0.688501, "FDA_Category_X_Top_Rank": -0.0877034, "FDA_Category_D_and_X_L1000_Similarity": 0.248349, "FDA_Category_D_and_X_Structural_Similarity": -1.05052, "FDA_Category_D_and_X_Weighted_Contribution": -0.836839, "FDA_Category_D_and_X_Top_Rank": -0.0896307, "Placenta_Crossing_L1000_Similarity": -0.666669, "Placenta_Crossing_Structural_Similarity": 0.118632, "Placenta_Crossing_Weighted_Contribution": -0.325801, "Placenta_Crossing_Top_Rank": -0.0795898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O", "InChI_key": "TVQZAMVBTVNYLA-UHFFFAOYSA-N" } }, "CID:4914": { "type": "Drug", "properties": { "id": "CID:4914", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4914", "label": "procaine", "FDA_Category_D_L1000_Similarity": 0.368824, "FDA_Category_D_Structural_Similarity": -0.237547, "FDA_Category_D_Weighted_Contribution": -0.133076, "FDA_Category_D_Top_Rank": -0.0876868, "FDA_Category_X_L1000_Similarity": 1.23522, "FDA_Category_X_Structural_Similarity": -0.168201, "FDA_Category_X_Weighted_Contribution": 0.328835, "FDA_Category_X_Top_Rank": -0.06268, "FDA_Category_D_and_X_L1000_Similarity": 0.693043, "FDA_Category_D_and_X_Structural_Similarity": -0.279305, "FDA_Category_D_and_X_Weighted_Contribution": -0.0345381, "FDA_Category_D_and_X_Top_Rank": -0.0814084, "Placenta_Crossing_L1000_Similarity": 1.15534, "Placenta_Crossing_Structural_Similarity": 0.0175225, "Placenta_Crossing_Weighted_Contribution": 0.448222, "Placenta_Crossing_Top_Rank": -0.0640986, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCN(CC)CCOC(=O)C1=CC=C(C=C1)N", "InChI_key": "MFDFERRIHVXMIY-UHFFFAOYSA-N" } }, "CID:4917": { "type": "Drug", "properties": { "id": "CID:4917", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4917", "label": "prochlorperazine", "ref": "LSM-2436", "FDA_Category_D_L1000_Similarity": -0.675433, "FDA_Category_D_Structural_Similarity": 0.797065, "FDA_Category_D_Weighted_Contribution": 0.272396, "FDA_Category_D_Top_Rank": -0.0606899, "FDA_Category_X_L1000_Similarity": 2.48688, "FDA_Category_X_Structural_Similarity": 0.289431, "FDA_Category_X_Weighted_Contribution": 1.53931, "FDA_Category_X_Top_Rank": 0.147251, "FDA_Category_D_and_X_L1000_Similarity": 0.172987, "FDA_Category_D_and_X_Structural_Similarity": 0.788817, "FDA_Category_D_and_X_Weighted_Contribution": 0.736162, "FDA_Category_D_and_X_Top_Rank": -0.0636615, "Placenta_Crossing_L1000_Similarity": 0.515937, "Placenta_Crossing_Structural_Similarity": 2.14382, "Placenta_Crossing_Weighted_Contribution": 2.33379, "Placenta_Crossing_Top_Rank": 0.0472324, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl", "InChI_key": "WIKYUJGCLQQFNW-UHFFFAOYSA-N" } }, "CID:4930": { "type": "Drug", "properties": { "id": "CID:4930", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4930", "label": "Pronetalol", "FDA_Category_D_L1000_Similarity": 0.637125, "FDA_Category_D_Structural_Similarity": -0.493363, "FDA_Category_D_Weighted_Contribution": -0.221581, "FDA_Category_D_Top_Rank": -0.0815438, "FDA_Category_X_L1000_Similarity": 0.948081, "FDA_Category_X_Structural_Similarity": 0.173913, "FDA_Category_X_Weighted_Contribution": 0.54117, "FDA_Category_X_Top_Rank": -0.073011, "FDA_Category_D_and_X_L1000_Similarity": 0.837128, "FDA_Category_D_and_X_Structural_Similarity": -0.297746, "FDA_Category_D_and_X_Weighted_Contribution": 0.0230734, "FDA_Category_D_and_X_Top_Rank": -0.0764851, "Placenta_Crossing_L1000_Similarity": 0.187168, "Placenta_Crossing_Structural_Similarity": 6.00145, "Placenta_Crossing_Weighted_Contribution": 4.19791, "Placenta_Crossing_Top_Rank": 1.90715, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4939": { "type": "Drug", "properties": { "id": "CID:4939", "label": "propidium", "lsm": "LSM-5329", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4939", "FDA_Category_D_L1000_Similarity": -0.235032, "FDA_Category_D_Structural_Similarity": 0.704292, "FDA_Category_D_Weighted_Contribution": 0.440597, "FDA_Category_D_Top_Rank": -0.064121, "FDA_Category_X_L1000_Similarity": -0.649631, "FDA_Category_X_Structural_Similarity": -0.579233, "FDA_Category_X_Weighted_Contribution": -0.865564, "FDA_Category_X_Top_Rank": -0.0905096, "FDA_Category_D_and_X_L1000_Similarity": -0.399889, "FDA_Category_D_and_X_Structural_Similarity": 0.246454, "FDA_Category_D_and_X_Weighted_Contribution": -0.113359, "FDA_Category_D_and_X_Top_Rank": -0.080649, "Placenta_Crossing_L1000_Similarity": -0.0491606, "Placenta_Crossing_Structural_Similarity": -0.246612, "Placenta_Crossing_Weighted_Contribution": -0.36925, "Placenta_Crossing_Top_Rank": -0.0866512, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N", "InChI_key": "ZDWVWKDAWBGPDN-UHFFFAOYSA-O" } }, "CID:494471": { "type": "Drug", "properties": { "id": "CID:494471", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID494471", "label": "methyllycaconitine", "FDA_Category_D_L1000_Similarity": 0.573864, "FDA_Category_D_Structural_Similarity": 0.569931, "FDA_Category_D_Weighted_Contribution": 0.799209, "FDA_Category_D_Top_Rank": -0.0685807, "FDA_Category_X_L1000_Similarity": 1.41865, "FDA_Category_X_Structural_Similarity": 0.305106, "FDA_Category_X_Weighted_Contribution": 0.948584, "FDA_Category_X_Top_Rank": -0.0520359, "FDA_Category_D_and_X_L1000_Similarity": 0.925496, "FDA_Category_D_and_X_Structural_Similarity": 0.616996, "FDA_Category_D_and_X_Weighted_Contribution": 1.00123, "FDA_Category_D_and_X_Top_Rank": -0.0702513, "Placenta_Crossing_L1000_Similarity": 0.856223, "Placenta_Crossing_Structural_Similarity": 1.16326, "Placenta_Crossing_Weighted_Contribution": 1.50823, "Placenta_Crossing_Top_Rank": -0.0420394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C", "InChI_key": "XLTANAWLDBYGFU-UHFFFAOYSA-N" } }, "CID:49766518": { "type": "Drug", "properties": { "id": "CID:49766518", "label": "tl-hras-24", "lsm": "LSM-4091", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49766518", "FDA_Category_D_L1000_Similarity": -1.85375, "FDA_Category_D_Structural_Similarity": -0.23159, "FDA_Category_D_Weighted_Contribution": -1.08421, "FDA_Category_D_Top_Rank": -0.0901207, "FDA_Category_X_L1000_Similarity": 0.705743, "FDA_Category_X_Structural_Similarity": -0.561365, "FDA_Category_X_Weighted_Contribution": -0.313846, "FDA_Category_X_Top_Rank": -0.0790262, "FDA_Category_D_and_X_L1000_Similarity": -1.38365, "FDA_Category_D_and_X_Structural_Similarity": -0.486727, "FDA_Category_D_and_X_Weighted_Contribution": -1.04812, "FDA_Category_D_and_X_Top_Rank": -0.0938759, "Placenta_Crossing_L1000_Similarity": -0.922736, "Placenta_Crossing_Structural_Similarity": -0.613487, "Placenta_Crossing_Weighted_Contribution": -0.95118, "Placenta_Crossing_Top_Rank": -0.0906656, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)[N+](=O)[O-]", "InChI_key": "HSLDKGXOZPBJAD-UHFFFAOYSA-N" } }, "CID:49766530": { "type": "Drug", "properties": { "id": "CID:49766530", "label": "tl-hras-61", "lsm": "LSM-2013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49766530", "FDA_Category_D_L1000_Similarity": -2.36086, "FDA_Category_D_Structural_Similarity": -0.23159, "FDA_Category_D_Weighted_Contribution": -1.23862, "FDA_Category_D_Top_Rank": -0.0901207, "FDA_Category_X_L1000_Similarity": -0.864887, "FDA_Category_X_Structural_Similarity": -0.561365, "FDA_Category_X_Weighted_Contribution": -0.926541, "FDA_Category_X_Top_Rank": -0.0906216, "FDA_Category_D_and_X_L1000_Similarity": -2.29775, "FDA_Category_D_and_X_Structural_Similarity": -0.486727, "FDA_Category_D_and_X_Weighted_Contribution": -1.3007, "FDA_Category_D_and_X_Top_Rank": -0.0938759, "Placenta_Crossing_L1000_Similarity": -1.99814, "Placenta_Crossing_Structural_Similarity": -0.613487, "Placenta_Crossing_Weighted_Contribution": -1.24435, "Placenta_Crossing_Top_Rank": -0.0906656, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]", "InChI_key": "VIBHJPDPEVVDTB-UHFFFAOYSA-N" } }, "CID:49843139": { "type": "Drug", "properties": { "id": "CID:49843139", "label": "SA-433965", "lsm": "LSM-14707", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843139", "FDA_Category_D_L1000_Similarity": -0.1725, "FDA_Category_X_L1000_Similarity": 0.062592, "FDA_Category_D_and_X_L1000_Similarity": -0.129684, "Placenta_Crossing_L1000_Similarity": 0.477763, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4992": { "type": "Drug", "properties": { "id": "CID:4992", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4992", "label": "mepyramine", "FDA_Category_D_L1000_Similarity": 0.266245, "FDA_Category_D_Structural_Similarity": -0.104707, "FDA_Category_D_Weighted_Contribution": -0.0662666, "FDA_Category_D_Top_Rank": -0.0876577, "FDA_Category_X_L1000_Similarity": 1.3537, "FDA_Category_X_Structural_Similarity": -0.645827, "FDA_Category_X_Weighted_Contribution": -0.0921111, "FDA_Category_X_Top_Rank": -0.0558541, "FDA_Category_D_and_X_L1000_Similarity": 0.640597, "FDA_Category_D_and_X_Structural_Similarity": -0.431593, "FDA_Category_D_and_X_Weighted_Contribution": -0.197257, "FDA_Category_D_and_X_Top_Rank": -0.082653, "Placenta_Crossing_L1000_Similarity": -0.0863837, "Placenta_Crossing_Structural_Similarity": -0.626055, "Placenta_Crossing_Weighted_Contribution": -0.677944, "Placenta_Crossing_Top_Rank": -0.088909, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2", "InChI_key": "YECBIJXISLIIDS-UHFFFAOYSA-N" } }, "CID:4996": { "type": "Drug", "properties": { "id": "CID:4996", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4996", "label": "pyroxamide", "FDA_Category_D_L1000_Similarity": -0.881476, "FDA_Category_D_Structural_Similarity": 0.169685, "FDA_Category_D_Weighted_Contribution": -0.414846, "FDA_Category_D_Top_Rank": -0.0808051, "FDA_Category_X_L1000_Similarity": -0.180073, "FDA_Category_X_Structural_Similarity": -0.523368, "FDA_Category_X_Weighted_Contribution": -0.652144, "FDA_Category_X_Top_Rank": -0.0886722, "FDA_Category_D_and_X_L1000_Similarity": -0.814528, "FDA_Category_D_and_X_Structural_Similarity": -0.147726, "FDA_Category_D_and_X_Weighted_Contribution": -0.624868, "FDA_Category_D_and_X_Top_Rank": -0.0892439, "Placenta_Crossing_L1000_Similarity": -0.781937, "Placenta_Crossing_Structural_Similarity": 0.424913, "Placenta_Crossing_Weighted_Contribution": -0.109062, "Placenta_Crossing_Top_Rank": -0.071783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO", "InChI_key": "PTJGLFIIZFVFJV-UHFFFAOYSA-N" } }, "CID:50248": { "type": "Drug", "properties": { "id": "CID:50248", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID50248", "label": "triclabendazole", "FDA_Category_D_L1000_Similarity": 0.696172, "FDA_Category_D_Structural_Similarity": -0.613418, "FDA_Category_D_Weighted_Contribution": -0.296202, "FDA_Category_D_Top_Rank": -0.0796838, "FDA_Category_X_L1000_Similarity": 1.19908, "FDA_Category_X_Structural_Similarity": -0.725007, "FDA_Category_X_Weighted_Contribution": -0.238632, "FDA_Category_X_Top_Rank": -0.0642598, "FDA_Category_D_and_X_L1000_Similarity": 0.964248, "FDA_Category_D_and_X_Structural_Similarity": -0.878089, "FDA_Category_D_and_X_Weighted_Contribution": -0.419783, "FDA_Category_D_and_X_Top_Rank": -0.0710016, "Placenta_Crossing_L1000_Similarity": 0.954978, "Placenta_Crossing_Structural_Similarity": -0.51769, "Placenta_Crossing_Weighted_Contribution": -0.164254, "Placenta_Crossing_Top_Rank": -0.0720279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl", "InChI_key": "NQPDXQQQCQDHHW-UHFFFAOYSA-N" } }, "CID:50312": { "type": "Drug", "properties": { "id": "CID:50312", "label": "fiacitabine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50312", "FDA_Category_D_L1000_Similarity": 1.04342, "FDA_Category_D_Structural_Similarity": 3.3654, "FDA_Category_D_Weighted_Contribution": 3.57005, "FDA_Category_D_Top_Rank": 0.312982, "FDA_Category_X_L1000_Similarity": 1.99292, "FDA_Category_X_Structural_Similarity": -0.519836, "FDA_Category_X_Weighted_Contribution": 0.357854, "FDA_Category_X_Top_Rank": 0.00988329, "FDA_Category_D_and_X_L1000_Similarity": 1.50467, "FDA_Category_D_and_X_Structural_Similarity": 2.39066, "FDA_Category_D_and_X_Weighted_Contribution": 3.00826, "FDA_Category_D_and_X_Top_Rank": 0.0852138, "Placenta_Crossing_L1000_Similarity": 1.19109, "Placenta_Crossing_Structural_Similarity": 0.78853, "Placenta_Crossing_Weighted_Contribution": 1.28759, "Placenta_Crossing_Top_Rank": -0.0598141, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)F)N)I", "InChI_key": "GIMSJJHKKXRFGV-BYPJNBLXSA-N" } }, "CID:5036604": { "type": "Drug", "properties": { "id": "CID:5036604", "label": "eugenitol", "lsm": "LSM-3016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5036604", "FDA_Category_D_L1000_Similarity": 0.764203, "FDA_Category_D_Structural_Similarity": -0.0696419, "FDA_Category_D_Weighted_Contribution": 0.248688, "FDA_Category_D_Top_Rank": -0.0772884, "FDA_Category_X_L1000_Similarity": 0.452903, "FDA_Category_X_Structural_Similarity": -0.57869, "FDA_Category_X_Weighted_Contribution": -0.439304, "FDA_Category_X_Top_Rank": -0.0830856, "FDA_Category_D_and_X_L1000_Similarity": 0.79629, "FDA_Category_D_and_X_Structural_Similarity": -0.367534, "FDA_Category_D_and_X_Weighted_Contribution": -0.0622697, "FDA_Category_D_and_X_Top_Rank": -0.0778816, "Placenta_Crossing_L1000_Similarity": 0.957133, "Placenta_Crossing_Structural_Similarity": 0.155483, "Placenta_Crossing_Weighted_Contribution": 0.486607, "Placenta_Crossing_Top_Rank": -0.0719254, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O", "InChI_key": "HMAUJNAGOIPKDG-UHFFFAOYSA-N" } }, "CID:5037": { "type": "Drug", "properties": { "id": "CID:5037", "label": "ramifenazone", "lsm": "LSM-5911", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5037", "FDA_Category_D_L1000_Similarity": -0.330712, "FDA_Category_D_Structural_Similarity": 0.382047, "FDA_Category_D_Weighted_Contribution": 0.0631191, "FDA_Category_D_Top_Rank": -0.0748858, "FDA_Category_X_L1000_Similarity": -1.65377, "FDA_Category_X_Structural_Similarity": -0.732525, "FDA_Category_X_Weighted_Contribution": -1.25907, "FDA_Category_X_Top_Rank": -0.0919452, "FDA_Category_D_and_X_L1000_Similarity": -0.787294, "FDA_Category_D_and_X_Structural_Similarity": -0.0920314, "FDA_Category_D_and_X_Weighted_Contribution": -0.572201, "FDA_Category_D_and_X_Top_Rank": -0.0881369, "Placenta_Crossing_L1000_Similarity": 0.295129, "Placenta_Crossing_Structural_Similarity": -0.700093, "Placenta_Crossing_Weighted_Contribution": -0.589898, "Placenta_Crossing_Top_Rank": -0.0857071, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:50515": { "type": "Drug", "properties": { "id": "CID:50515", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID50515", "label": "amonafide", "FDA_Category_D_L1000_Similarity": 0.766089, "FDA_Category_D_Structural_Similarity": 0.717407, "FDA_Category_D_Weighted_Contribution": 1.08165, "FDA_Category_D_Top_Rank": -0.0635017, "FDA_Category_X_L1000_Similarity": -1.5082, "FDA_Category_X_Structural_Similarity": -0.674497, "FDA_Category_X_Weighted_Contribution": -1.1898, "FDA_Category_X_Top_Rank": -0.0917529, "FDA_Category_D_and_X_L1000_Similarity": 0.202375, "FDA_Category_D_and_X_Structural_Similarity": 0.20546, "FDA_Category_D_and_X_Weighted_Contribution": 0.162703, "FDA_Category_D_and_X_Top_Rank": -0.0815461, "Placenta_Crossing_L1000_Similarity": -0.677268, "Placenta_Crossing_Structural_Similarity": -0.298356, "Placenta_Crossing_Weighted_Contribution": -0.657714, "Placenta_Crossing_Top_Rank": -0.0874769, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N", "InChI_key": "UPALIKSFLSVKIS-UHFFFAOYSA-N" } }, "CID:5083": { "type": "Drug", "properties": { "id": "CID:5083", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5083", "label": "bisindolylmaleimide-ix", "FDA_Category_D_L1000_Similarity": 0.213829, "FDA_Category_D_Structural_Similarity": -0.483988, "FDA_Category_D_Weighted_Contribution": -0.424943, "FDA_Category_D_Top_Rank": -0.09006, "FDA_Category_X_L1000_Similarity": -2.73267, "FDA_Category_X_Structural_Similarity": 0.460963, "FDA_Category_X_Weighted_Contribution": -0.867063, "FDA_Category_X_Top_Rank": -0.0634661, "FDA_Category_D_and_X_L1000_Similarity": -0.645539, "FDA_Category_D_and_X_Structural_Similarity": -0.135414, "FDA_Category_D_and_X_Weighted_Contribution": -0.544895, "FDA_Category_D_and_X_Top_Rank": -0.0890181, "Placenta_Crossing_L1000_Similarity": -0.679813, "Placenta_Crossing_Structural_Similarity": -0.748702, "Placenta_Crossing_Weighted_Contribution": -0.95844, "Placenta_Crossing_Top_Rank": -0.0912663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N", "InChI_key": "DSXXEELGXBCYNQ-UHFFFAOYSA-N" } }, "CID:5094": { "type": "Drug", "properties": { "id": "CID:5094", "label": "ronidazole", "lsm": "LSM-5987", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5094", "FDA_Category_D_L1000_Similarity": -0.401768, "FDA_Category_D_Structural_Similarity": -0.516393, "FDA_Category_D_Weighted_Contribution": -0.725988, "FDA_Category_D_Top_Rank": -0.0942849, "FDA_Category_X_L1000_Similarity": 0.237615, "FDA_Category_X_Structural_Similarity": 0.540922, "FDA_Category_X_Weighted_Contribution": 0.553668, "FDA_Category_X_Top_Rank": -0.0600383, "FDA_Category_D_and_X_L1000_Similarity": -0.274172, "FDA_Category_D_and_X_Structural_Similarity": -0.117989, "FDA_Category_D_and_X_Weighted_Contribution": -0.366184, "FDA_Category_D_and_X_Top_Rank": -0.0886956, "Placenta_Crossing_L1000_Similarity": 0.220737, "Placenta_Crossing_Structural_Similarity": -0.657163, "Placenta_Crossing_Weighted_Contribution": -0.585986, "Placenta_Crossing_Top_Rank": -0.0864385, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:50942": { "type": "Drug", "properties": { "id": "CID:50942", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID50942", "label": "doxofylline", "FDA_Category_D_L1000_Similarity": 1.3513, "FDA_Category_D_Structural_Similarity": 0.242521, "FDA_Category_D_Weighted_Contribution": 0.937535, "FDA_Category_D_Top_Rank": -0.0317979, "FDA_Category_X_L1000_Similarity": 3.05807, "FDA_Category_X_Structural_Similarity": 0.110922, "FDA_Category_X_Weighted_Contribution": 1.66081, "FDA_Category_X_Top_Rank": 0.605829, "FDA_Category_D_and_X_L1000_Similarity": 2.09352, "FDA_Category_D_and_X_Structural_Similarity": 0.252345, "FDA_Category_D_and_X_Weighted_Contribution": 1.31177, "FDA_Category_D_and_X_Top_Rank": 0.148792, "Placenta_Crossing_L1000_Similarity": 1.38816, "Placenta_Crossing_Structural_Similarity": 0.962013, "Placenta_Crossing_Weighted_Contribution": 1.58161, "Placenta_Crossing_Top_Rank": -0.0495882, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3", "InChI_key": "HWXIGFIVGWUZAO-UHFFFAOYSA-N" } }, "CID:51049968": { "type": "Drug", "properties": { "id": "CID:51049968", "label": "rimegepant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51049968", "FDA_Category_D_L1000_Similarity": 0.570307, "FDA_Category_D_Structural_Similarity": 0.074901, "FDA_Category_D_Weighted_Contribution": 0.279749, "FDA_Category_D_Top_Rank": -0.083303, "FDA_Category_X_L1000_Similarity": 1.75099, "FDA_Category_X_Structural_Similarity": -0.423968, "FDA_Category_X_Weighted_Contribution": 0.33128, "FDA_Category_X_Top_Rank": -0.025318, "FDA_Category_D_and_X_L1000_Similarity": 1.02336, "FDA_Category_D_and_X_Structural_Similarity": -0.169321, "FDA_Category_D_and_X_Weighted_Contribution": 0.245698, "FDA_Category_D_and_X_Top_Rank": -0.0675996, "Placenta_Crossing_L1000_Similarity": 1.59747, "Placenta_Crossing_Structural_Similarity": -0.586052, "Placenta_Crossing_Weighted_Contribution": 0.0730824, "Placenta_Crossing_Top_Rank": -0.0289059, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6", "InChI_key": "KRNAOFGYEFKHPB-ANJVHQHFSA-N" } }, "CID:5105": { "type": "Drug", "properties": { "id": "CID:5105", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5105", "label": "roxatidine acetate", "FDA_Category_D_L1000_Similarity": 0.829594, "FDA_Category_D_Structural_Similarity": -0.79675, "FDA_Category_D_Weighted_Contribution": -0.385389, "FDA_Category_D_Top_Rank": -0.0745413, "FDA_Category_X_L1000_Similarity": 0.4195, "FDA_Category_X_Structural_Similarity": -0.680132, "FDA_Category_X_Weighted_Contribution": -0.537952, "FDA_Category_X_Top_Rank": -0.0835216, "FDA_Category_D_and_X_L1000_Similarity": 0.842525, "FDA_Category_D_and_X_Structural_Similarity": -0.999388, "FDA_Category_D_and_X_Weighted_Contribution": -0.567484, "FDA_Category_D_and_X_Top_Rank": -0.0762871, "Placenta_Crossing_L1000_Similarity": 0.868025, "Placenta_Crossing_Structural_Similarity": -1.03941, "Placenta_Crossing_Weighted_Contribution": -0.626243, "Placenta_Crossing_Top_Rank": -0.0744934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2", "InChI_key": "SMTZFNFIKUPEJC-UHFFFAOYSA-N" } }, "CID:5132514": { "type": "Drug", "properties": { "id": "CID:5132514", "label": "l-690488", "lsm": "LSM-4703", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5132514", "FDA_Category_D_L1000_Similarity": -0.272507, "FDA_Category_D_Structural_Similarity": -0.760978, "FDA_Category_D_Weighted_Contribution": -0.842155, "FDA_Category_D_Top_Rank": -0.0940842, "FDA_Category_X_L1000_Similarity": -1.56149, "FDA_Category_X_Structural_Similarity": -0.59583, "FDA_Category_X_Weighted_Contribution": -1.16105, "FDA_Category_X_Top_Rank": -0.0910295, "FDA_Category_D_and_X_L1000_Similarity": -0.709099, "FDA_Category_D_and_X_Structural_Similarity": -0.925506, "FDA_Category_D_and_X_Weighted_Contribution": -1.08136, "FDA_Category_D_and_X_Top_Rank": -0.0957071, "Placenta_Crossing_L1000_Similarity": -1.46466, "Placenta_Crossing_Structural_Similarity": -0.662828, "Placenta_Crossing_Weighted_Contribution": -1.13446, "Placenta_Crossing_Top_Rank": -0.0910087, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C(=O)OCOP(=O)(C(C)(OC1=CC=C(C=C1)O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C", "InChI_key": "LOTSPVPQHAUHCE-UHFFFAOYSA-N" } }, "CID:5143": { "type": "Drug", "properties": { "id": "CID:5143", "label": "saccharin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5143", "FDA_Category_D_L1000_Similarity": 0.692089, "FDA_Category_D_Structural_Similarity": 0.113753, "FDA_Category_D_Weighted_Contribution": 0.391584, "FDA_Category_D_Top_Rank": -0.0798832, "FDA_Category_X_L1000_Similarity": -0.971719, "FDA_Category_X_Structural_Similarity": -0.582336, "FDA_Category_X_Weighted_Contribution": -0.975309, "FDA_Category_X_Top_Rank": -0.0908745, "FDA_Category_D_and_X_L1000_Similarity": 0.301498, "FDA_Category_D_and_X_Structural_Similarity": -0.223939, "FDA_Category_D_and_X_Weighted_Contribution": -0.181875, "FDA_Category_D_and_X_Top_Rank": -0.0888901, "Placenta_Crossing_L1000_Similarity": -0.142014, "Placenta_Crossing_Structural_Similarity": 0.230829, "Placenta_Crossing_Weighted_Contribution": 0.0111997, "Placenta_Crossing_Top_Rank": -0.0770164, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)NS2(=O)=O", "InChI_key": "CVHZOJJKTDOEJC-UHFFFAOYSA-N" } }, "CID:515709": { "type": "Drug", "properties": { "id": "CID:515709", "label": "phenylalanyltyrosine", "lsm": "LSM-2496", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/515709", "FDA_Category_D_L1000_Similarity": 0.870286, "FDA_Category_D_Structural_Similarity": -0.487778, "FDA_Category_D_Weighted_Contribution": -0.0933713, "FDA_Category_D_Top_Rank": -0.0727969, "FDA_Category_X_L1000_Similarity": -0.540811, "FDA_Category_X_Structural_Similarity": 0.741646, "FDA_Category_X_Weighted_Contribution": 0.351084, "FDA_Category_X_Top_Rank": -0.0521524, "FDA_Category_D_and_X_L1000_Similarity": 0.585962, "FDA_Category_D_and_X_Structural_Similarity": 0.0130333, "FDA_Category_D_and_X_Weighted_Contribution": 0.184517, "FDA_Category_D_and_X_Top_Rank": -0.0838396, "Placenta_Crossing_L1000_Similarity": 0.892963, "Placenta_Crossing_Structural_Similarity": -0.522847, "Placenta_Crossing_Weighted_Contribution": -0.196697, "Placenta_Crossing_Top_Rank": -0.0738359, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N", "InChI_key": "FSXRLASFHBWESK-HOTGVXAUSA-N" } }, "CID:5169": { "type": "Drug", "properties": { "id": "CID:5169", "label": "sb-202190", "lsm": "LSM-3209", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5169", "FDA_Category_D_L1000_Similarity": -0.23157, "FDA_Category_D_Structural_Similarity": 0.478312, "FDA_Category_D_Weighted_Contribution": 0.213693, "FDA_Category_D_Top_Rank": -0.0717697, "FDA_Category_X_L1000_Similarity": 1.06817, "FDA_Category_X_Structural_Similarity": -0.293108, "FDA_Category_X_Weighted_Contribution": 0.114029, "FDA_Category_X_Top_Rank": -0.0692427, "FDA_Category_D_and_X_L1000_Similarity": 0.124761, "FDA_Category_D_and_X_Structural_Similarity": 0.221483, "FDA_Category_D_and_X_Weighted_Contribution": 0.136316, "FDA_Category_D_and_X_Top_Rank": -0.0812276, "Placenta_Crossing_L1000_Similarity": 0.897423, "Placenta_Crossing_Structural_Similarity": 0.557669, "Placenta_Crossing_Weighted_Contribution": 0.877937, "Placenta_Crossing_Top_Rank": -0.068059, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O", "InChI_key": "QHKYPYXTTXKZST-UHFFFAOYSA-N" } }, "CID:51695577": { "type": "Drug", "properties": { "id": "CID:51695577", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID51695577", "label": "Melengestrol", "FDA_Category_D_L1000_Similarity": -0.409233, "FDA_Category_D_Structural_Similarity": 0.223085, "FDA_Category_D_Weighted_Contribution": -0.128514, "FDA_Category_D_Top_Rank": -0.0792449, "FDA_Category_X_L1000_Similarity": -0.86934, "FDA_Category_X_Structural_Similarity": 2.94509, "FDA_Category_X_Weighted_Contribution": 2.58691, "FDA_Category_X_Top_Rank": 0.199796, "FDA_Category_D_and_X_L1000_Similarity": -0.616764, "FDA_Category_D_and_X_Structural_Similarity": 1.76622, "FDA_Category_D_and_X_Weighted_Contribution": 1.30598, "FDA_Category_D_and_X_Top_Rank": 0.0117936, "Placenta_Crossing_L1000_Similarity": -0.466263, "Placenta_Crossing_Structural_Similarity": -0.0505174, "Placenta_Crossing_Weighted_Contribution": -0.382072, "Placenta_Crossing_Top_Rank": -0.0832473, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5174": { "type": "Drug", "properties": { "id": "CID:5174", "label": "sc-68376", "lsm": "LSM-3919", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5174", "FDA_Category_D_L1000_Similarity": 0.385872, "FDA_Category_D_Structural_Similarity": -0.949367, "FDA_Category_D_Weighted_Contribution": -0.705775, "FDA_Category_D_Top_Rank": -0.0874077, "FDA_Category_X_L1000_Similarity": 0.199319, "FDA_Category_X_Structural_Similarity": -0.688967, "FDA_Category_X_Weighted_Contribution": -0.633235, "FDA_Category_X_Top_Rank": -0.0859533, "FDA_Category_D_and_X_L1000_Similarity": 0.393153, "FDA_Category_D_and_X_Structural_Similarity": -1.12529, "FDA_Category_D_and_X_Weighted_Contribution": -0.832679, "FDA_Category_D_and_X_Top_Rank": -0.0875539, "Placenta_Crossing_L1000_Similarity": 1.14271, "Placenta_Crossing_Structural_Similarity": -1.07841, "Placenta_Crossing_Weighted_Contribution": -0.550616, "Placenta_Crossing_Top_Rank": -0.0647356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=C(O1)C2=CC=NC=C2)C3=CC=CC=C3", "InChI_key": "BHWCZLOXTLWZAQ-UHFFFAOYSA-N" } }, "CID:5191289": { "type": "Drug", "properties": { "id": "CID:5191289", "label": "ro-60-0175", "lsm": "LSM-1601", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5191289", "FDA_Category_D_L1000_Similarity": 0.283806, "FDA_Category_D_Structural_Similarity": 0.191059, "FDA_Category_D_Weighted_Contribution": 0.22814, "FDA_Category_D_Top_Rank": -0.080208, "FDA_Category_X_L1000_Similarity": 1.61036, "FDA_Category_X_Structural_Similarity": -0.309139, "FDA_Category_X_Weighted_Contribution": 0.378254, "FDA_Category_X_Top_Rank": -0.0386054, "FDA_Category_D_and_X_L1000_Similarity": 0.733683, "FDA_Category_D_and_X_Structural_Similarity": -0.0151639, "FDA_Category_D_and_X_Weighted_Contribution": 0.237644, "FDA_Category_D_and_X_Top_Rank": -0.0801261, "Placenta_Crossing_L1000_Similarity": 0.106918, "Placenta_Crossing_Structural_Similarity": -0.142403, "Placenta_Crossing_Weighted_Contribution": -0.212803, "Placenta_Crossing_Top_Rank": -0.0850513, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N", "InChI_key": "XJJZQXUGLLXTHO-UHFFFAOYSA-N" } }, "CID:5215": { "type": "Drug", "properties": { "id": "CID:5215", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5215", "label": "sulfadiazine", "ref": "LSM-5457", "FDA_Category_D_L1000_Similarity": -0.141669, "FDA_Category_D_Structural_Similarity": 1.43019, "FDA_Category_D_Weighted_Contribution": 1.27998, "FDA_Category_D_Top_Rank": -0.0243612, "FDA_Category_X_L1000_Similarity": -0.203146, "FDA_Category_X_Structural_Similarity": -0.420158, "FDA_Category_X_Weighted_Contribution": -0.579769, "FDA_Category_X_Top_Rank": -0.0885447, "FDA_Category_D_and_X_L1000_Similarity": -0.183813, "FDA_Category_D_and_X_Structural_Similarity": 0.908446, "FDA_Category_D_and_X_Weighted_Contribution": 0.652074, "FDA_Category_D_and_X_Top_Rank": -0.0576889, "Placenta_Crossing_L1000_Similarity": 0.603809, "Placenta_Crossing_Structural_Similarity": 0.829204, "Placenta_Crossing_Weighted_Contribution": 1.00964, "Placenta_Crossing_Top_Rank": -0.0584529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "SEEPANYCNGTZFQ-UHFFFAOYSA-N" } }, "CID:5221450": { "type": "Drug", "properties": { "id": "CID:5221450", "label": "BML-286", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5221450", "FDA_Category_D_L1000_Similarity": -0.16665, "FDA_Category_D_Structural_Similarity": -0.731269, "FDA_Category_D_Weighted_Contribution": -0.780069, "FDA_Category_D_Top_Rank": -0.0934773, "FDA_Category_X_L1000_Similarity": -0.997856, "FDA_Category_X_Structural_Similarity": -0.363102, "FDA_Category_X_Weighted_Contribution": -0.836349, "FDA_Category_X_Top_Rank": -0.0875697, "FDA_Category_D_and_X_L1000_Similarity": -0.446685, "FDA_Category_D_and_X_Structural_Similarity": -0.776346, "FDA_Category_D_and_X_Weighted_Contribution": -0.909922, "FDA_Category_D_and_X_Top_Rank": -0.0948603, "Placenta_Crossing_L1000_Similarity": -0.104087, "Placenta_Crossing_Structural_Similarity": -0.61184, "Placenta_Crossing_Weighted_Contribution": -0.674171, "Placenta_Crossing_Top_Rank": -0.0890223, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5244802": { "type": "Drug", "properties": { "id": "CID:5244802", "label": "brl-52537", "lsm": "LSM-1496", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5244802", "FDA_Category_D_L1000_Similarity": 0.838847, "FDA_Category_D_Structural_Similarity": 0.0789664, "FDA_Category_D_Weighted_Contribution": 0.444236, "FDA_Category_D_Top_Rank": -0.0742028, "FDA_Category_X_L1000_Similarity": 1.1903, "FDA_Category_X_Structural_Similarity": -0.453878, "FDA_Category_X_Weighted_Contribution": 0.0147962, "FDA_Category_X_Top_Rank": -0.0646534, "FDA_Category_D_and_X_L1000_Similarity": 1.08456, "FDA_Category_D_and_X_Structural_Similarity": -0.182234, "FDA_Category_D_and_X_Weighted_Contribution": 0.266703, "FDA_Category_D_and_X_Top_Rank": -0.0638229, "Placenta_Crossing_L1000_Similarity": 1.11968, "Placenta_Crossing_Structural_Similarity": -0.815426, "Placenta_Crossing_Weighted_Contribution": -0.349155, "Placenta_Crossing_Top_Rank": -0.065941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl", "InChI_key": "GHCCBWMZKJQGLS-UHFFFAOYSA-N" } }, "CID:5265": { "type": "Drug", "properties": { "id": "CID:5265", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5265", "label": "spiperone", "FDA_Category_D_L1000_Similarity": -1.24118, "FDA_Category_D_Structural_Similarity": -0.901104, "FDA_Category_D_Weighted_Contribution": -1.24529, "FDA_Category_D_Top_Rank": -0.0965756, "FDA_Category_X_L1000_Similarity": -0.392166, "FDA_Category_X_Structural_Similarity": 0.218445, "FDA_Category_X_Weighted_Contribution": -0.101057, "FDA_Category_X_Top_Rank": -0.0726261, "FDA_Category_D_and_X_L1000_Similarity": -1.189, "FDA_Category_D_and_X_Structural_Similarity": -0.597346, "FDA_Category_D_and_X_Weighted_Contribution": -1.04895, "FDA_Category_D_and_X_Top_Rank": -0.0947743, "Placenta_Crossing_L1000_Similarity": -1.77463, "Placenta_Crossing_Structural_Similarity": -0.384268, "Placenta_Crossing_Weighted_Contribution": -1.06907, "Placenta_Crossing_Top_Rank": -0.0885166, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F", "InChI_key": "DKGZKTPJOSAWFA-UHFFFAOYSA-N" } }, "CID:5273569": { "type": "Drug", "properties": { "id": "CID:5273569", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5273569", "label": "fraxetin", "FDA_Category_D_L1000_Similarity": 0.826073, "FDA_Category_D_Structural_Similarity": -0.555804, "FDA_Category_D_Weighted_Contribution": -0.178666, "FDA_Category_D_Top_Rank": -0.0746476, "FDA_Category_X_L1000_Similarity": 0.219352, "FDA_Category_X_Structural_Similarity": -0.447493, "FDA_Category_X_Weighted_Contribution": -0.427071, "FDA_Category_X_Top_Rank": -0.0857366, "FDA_Category_D_and_X_L1000_Similarity": 0.778708, "FDA_Category_D_and_X_Structural_Similarity": -0.682615, "FDA_Category_D_and_X_Weighted_Contribution": -0.345061, "FDA_Category_D_and_X_Top_Rank": -0.0785367, "Placenta_Crossing_L1000_Similarity": 1.164, "Placenta_Crossing_Structural_Similarity": 0.784358, "Placenta_Crossing_Weighted_Contribution": 1.26823, "Placenta_Crossing_Top_Rank": -0.0600049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O", "InChI_key": "HAVWRBANWNTOJX-UHFFFAOYSA-N" } }, "CID:5280450": { "type": "Drug", "properties": { "id": "CID:5280450", "label": "linoleic acid", "lsm": "LSM-2181", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280450", "FDA_Category_D_L1000_Similarity": 0.643202, "FDA_Category_D_Structural_Similarity": 0.137475, "FDA_Category_D_Weighted_Contribution": 0.386558, "FDA_Category_D_Top_Rank": -0.0813307, "FDA_Category_X_L1000_Similarity": 0.415697, "FDA_Category_X_Structural_Similarity": 1.28523, "FDA_Category_X_Weighted_Contribution": 1.49313, "FDA_Category_X_Top_Rank": -0.0221154, "FDA_Category_D_and_X_L1000_Similarity": 0.680692, "FDA_Category_D_and_X_Structural_Similarity": 0.802623, "FDA_Category_D_and_X_Weighted_Contribution": 1.05295, "FDA_Category_D_and_X_Top_Rank": -0.0632107, "Placenta_Crossing_L1000_Similarity": 1.40334, "Placenta_Crossing_Structural_Similarity": 1.4493, "Placenta_Crossing_Weighted_Contribution": 2.09523, "Placenta_Crossing_Top_Rank": -0.0237937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC=CCC=CCCCCCCCC(=O)O", "InChI_key": "OYHQOLUKZRVURQ-HZJYTTRNSA-N" } }, "CID:5280704": { "type": "Drug", "properties": { "id": "CID:5280704", "label": "cosmosiin", "lsm": "LSM-2286", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280704", "FDA_Category_D_L1000_Similarity": 1.61049, "FDA_Category_D_Structural_Similarity": 0.312204, "FDA_Category_D_Weighted_Contribution": 1.17931, "FDA_Category_D_Top_Rank": 0.0160046, "FDA_Category_X_L1000_Similarity": 0.212426, "FDA_Category_X_Structural_Similarity": 0.415403, "FDA_Category_X_Weighted_Contribution": 0.404844, "FDA_Category_X_Top_Rank": -0.0651574, "FDA_Category_D_and_X_L1000_Similarity": 1.45277, "FDA_Category_D_and_X_Structural_Similarity": 0.47195, "FDA_Category_D_and_X_Weighted_Contribution": 1.16229, "FDA_Category_D_and_X_Top_Rank": -0.0299452, "Placenta_Crossing_L1000_Similarity": 2.07046, "Placenta_Crossing_Structural_Similarity": -0.160355, "Placenta_Crossing_Weighted_Contribution": 0.74693, "Placenta_Crossing_Top_Rank": 0.0637929, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O", "InChI_key": "KMOUJOKENFFTPU-QNDFHXLGSA-N" } }, "CID:5280723": { "type": "Drug", "properties": { "id": "CID:5280723", "label": "alprostadil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280723", "IDG_ID": "138", "FDA_Category_D_L1000_Similarity": -0.368162, "FDA_Category_X_L1000_Similarity": 0.590338, "FDA_Category_D_and_X_L1000_Similarity": -0.138092, "Placenta_Crossing_L1000_Similarity": 0.308243, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O", "InChI_key": "GMVPRGQOIOIIMI-DWKJAMRDSA-N" } }, "CID:5280863": { "type": "Drug", "properties": { "id": "CID:5280863", "label": "kaempherol", "lsm": "LSM-5304", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280863", "FDA_Category_D_L1000_Similarity": 0.534301, "FDA_Category_D_Structural_Similarity": 0.455386, "FDA_Category_D_Weighted_Contribution": 0.651903, "FDA_Category_D_Top_Rank": -0.0726681, "FDA_Category_X_L1000_Similarity": -0.341884, "FDA_Category_X_Structural_Similarity": -0.673297, "FDA_Category_X_Weighted_Contribution": -0.823595, "FDA_Category_X_Top_Rank": -0.0894364, "FDA_Category_D_and_X_L1000_Similarity": 0.356756, "FDA_Category_D_and_X_Structural_Similarity": -0.00186264, "FDA_Category_D_and_X_Weighted_Contribution": 0.0479298, "FDA_Category_D_and_X_Top_Rank": -0.0863904, "Placenta_Crossing_L1000_Similarity": 0.302122, "Placenta_Crossing_Structural_Similarity": -0.0972676, "Placenta_Crossing_Weighted_Contribution": -0.0838189, "Placenta_Crossing_Top_Rank": -0.084114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O", "InChI_key": "IYRMWMYZSQPJKC-UHFFFAOYSA-N" } }, "CID:5280881": { "type": "Drug", "properties": { "id": "CID:5280881", "label": "prostaglandin b2", "lsm": "LSM-3864", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280881", "FDA_Category_D_L1000_Similarity": 0.43578, "FDA_Category_D_Structural_Similarity": -0.935062, "FDA_Category_D_Weighted_Contribution": -0.674199, "FDA_Category_D_Top_Rank": -0.0865208, "FDA_Category_X_L1000_Similarity": 0.744484, "FDA_Category_X_Structural_Similarity": -0.57276, "FDA_Category_X_Weighted_Contribution": -0.306707, "FDA_Category_X_Top_Rank": -0.0781832, "FDA_Category_D_and_X_L1000_Similarity": 0.601735, "FDA_Category_D_and_X_Structural_Similarity": -1.05123, "FDA_Category_D_and_X_Weighted_Contribution": -0.703501, "FDA_Category_D_and_X_Top_Rank": -0.0833927, "Placenta_Crossing_L1000_Similarity": 1.55192, "Placenta_Crossing_Structural_Similarity": -1.04766, "Placenta_Crossing_Weighted_Contribution": -0.359957, "Placenta_Crossing_Top_Rank": -0.0340176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1=C(C(=O)CC1)CC=CCCCC(=O)O)O", "InChI_key": "PRFXRIUZNKLRHM-HKVRTXJWSA-N" } }, "CID:5281071": { "type": "Drug", "properties": { "id": "CID:5281071", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281071", "label": "olopatadine", "FDA_Category_D_L1000_Similarity": -0.552128, "FDA_Category_D_Structural_Similarity": 1.00837, "FDA_Category_D_Weighted_Contribution": 0.563981, "FDA_Category_D_Top_Rank": -0.050401, "FDA_Category_X_L1000_Similarity": -0.209146, "FDA_Category_X_Structural_Similarity": -0.61119, "FDA_Category_X_Weighted_Contribution": -0.730075, "FDA_Category_X_Top_Rank": -0.0888441, "FDA_Category_D_and_X_L1000_Similarity": -0.539459, "FDA_Category_D_and_X_Structural_Similarity": 0.470558, "FDA_Category_D_and_X_Weighted_Contribution": 0.0199405, "FDA_Category_D_and_X_Top_Rank": -0.0748554, "Placenta_Crossing_L1000_Similarity": -0.497878, "Placenta_Crossing_Structural_Similarity": 0.0336659, "Placenta_Crossing_Weighted_Contribution": -0.325242, "Placenta_Crossing_Top_Rank": -0.0815879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O", "InChI_key": "JBIMVDZLSHOPLA-LSCVHKIXSA-N" } }, "CID:5281087": { "type": "Drug", "properties": { "id": "CID:5281087", "label": "oxantel", "lsm": "LSM-3470", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281087", "FDA_Category_D_L1000_Similarity": 0.612921, "FDA_Category_D_Structural_Similarity": 0.134674, "FDA_Category_D_Weighted_Contribution": 0.365565, "FDA_Category_D_Top_Rank": -0.0816004, "FDA_Category_X_L1000_Similarity": 1.05221, "FDA_Category_X_Structural_Similarity": 1.45846, "FDA_Category_X_Weighted_Contribution": 2.04239, "FDA_Category_X_Top_Rank": -0.010836, "FDA_Category_D_and_X_L1000_Similarity": 0.847883, "FDA_Category_D_and_X_Structural_Similarity": 0.893869, "FDA_Category_D_and_X_Weighted_Contribution": 1.25104, "FDA_Category_D_and_X_Top_Rank": -0.058429, "Placenta_Crossing_L1000_Similarity": 0.853729, "Placenta_Crossing_Structural_Similarity": -0.181689, "Placenta_Crossing_Weighted_Contribution": 0.0988963, "Placenta_Crossing_Top_Rank": -0.0748854, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCN=C1C=CC2=CC(=CC=C2)O", "InChI_key": "VRYKTHBAWRESFI-VOTSOKGWSA-N" } }, "CID:5281607": { "type": "Drug", "properties": { "id": "CID:5281607", "label": "chrysin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281607", "FDA_Category_D_L1000_Similarity": 0.880505, "FDA_Category_D_Structural_Similarity": -0.349355, "FDA_Category_D_Weighted_Contribution": 0.0419511, "FDA_Category_D_Top_Rank": -0.0724238, "FDA_Category_X_L1000_Similarity": 0.97779, "FDA_Category_X_Structural_Similarity": -0.532392, "FDA_Category_X_Weighted_Contribution": -0.162803, "FDA_Category_X_Top_Rank": -0.0720816, "FDA_Category_D_and_X_L1000_Similarity": 1.05594, "FDA_Category_D_and_X_Structural_Similarity": -0.564564, "FDA_Category_D_and_X_Weighted_Contribution": -0.108807, "FDA_Category_D_and_X_Top_Rank": -0.0656613, "Placenta_Crossing_L1000_Similarity": 0.944009, "Placenta_Crossing_Structural_Similarity": -0.815023, "Placenta_Crossing_Weighted_Contribution": -0.422223, "Placenta_Crossing_Top_Rank": -0.0723932, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O", "InChI_key": "RTIXKCRFFJGDFG-UHFFFAOYSA-N" } }, "CID:5282375": { "type": "Drug", "properties": { "id": "CID:5282375", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282375", "label": "etretinate", "FDA_Category_D_L1000_Similarity": 0.235384, "FDA_Category_D_Structural_Similarity": 1.08916, "FDA_Category_D_Weighted_Contribution": 1.14834, "FDA_Category_D_Top_Rank": -0.0461071, "FDA_Category_X_L1000_Similarity": -1.07731, "FDA_Category_X_Structural_Similarity": 3.98702, "FDA_Category_X_Weighted_Contribution": 3.3859, "FDA_Category_X_Top_Rank": 0.517855, "FDA_Category_D_and_X_L1000_Similarity": -0.124263, "FDA_Category_D_and_X_Structural_Similarity": 3.01586, "FDA_Category_D_and_X_Weighted_Contribution": 2.78663, "FDA_Category_D_and_X_Top_Rank": 0.215948, "Placenta_Crossing_L1000_Similarity": 0.234495, "Placenta_Crossing_Structural_Similarity": 2.26023, "Placenta_Crossing_Weighted_Contribution": 2.30864, "Placenta_Crossing_Top_Rank": 0.0590801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C", "InChI_key": "HQMNCQVAMBCHCO-DJRRULDNSA-N" } }, "CID:5282593": { "type": "Drug", "properties": { "id": "CID:5282593", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282593", "label": "homatropine", "ref": "LSM-1782", "FDA_Category_D_L1000_Similarity": 1.88689, "FDA_Category_D_Structural_Similarity": 2.75538, "FDA_Category_D_Weighted_Contribution": 3.50553, "FDA_Category_D_Top_Rank": 0.176984, "FDA_Category_X_L1000_Similarity": 0.7163, "FDA_Category_X_Structural_Similarity": 1.3443, "FDA_Category_X_Weighted_Contribution": 1.73009, "FDA_Category_X_Top_Rank": -0.0182673, "FDA_Category_D_and_X_L1000_Similarity": 1.84406, "FDA_Category_D_and_X_Structural_Similarity": 2.91236, "FDA_Category_D_and_X_Weighted_Contribution": 3.45975, "FDA_Category_D_and_X_Top_Rank": 0.181206, "Placenta_Crossing_L1000_Similarity": 1.85711, "Placenta_Crossing_Structural_Similarity": 2.07563, "Placenta_Crossing_Weighted_Contribution": 2.87069, "Placenta_Crossing_Top_Rank": 0.0377235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1[C@H]2CCC1CC(C2)OC(=O)C(O)c3ccccc3", "InChI_key": "ZTVIKZXZYLEVOL-FGZQJIAISA-N" } }, "CID:5283393": { "type": "Drug", "properties": { "id": "CID:5283393", "label": "arachidonamide", "lsm": "LSM-2648", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5283393", "FDA_Category_D_L1000_Similarity": 0.653517, "FDA_Category_D_Structural_Similarity": 0.112791, "FDA_Category_D_Weighted_Contribution": 0.367494, "FDA_Category_D_Top_Rank": -0.0810625, "FDA_Category_X_L1000_Similarity": -0.0803073, "FDA_Category_X_Structural_Similarity": 0.98967, "FDA_Category_X_Weighted_Contribution": 0.874708, "FDA_Category_X_Top_Rank": -0.0415407, "FDA_Category_D_and_X_L1000_Similarity": 0.538953, "FDA_Category_D_and_X_Structural_Similarity": 0.623546, "FDA_Category_D_and_X_Weighted_Contribution": 0.77812, "FDA_Category_D_and_X_Top_Rank": -0.0699394, "Placenta_Crossing_L1000_Similarity": 1.4667, "Placenta_Crossing_Structural_Similarity": 0.918289, "Placenta_Crossing_Weighted_Contribution": 1.57747, "Placenta_Crossing_Top_Rank": -0.0431296, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)N", "InChI_key": "BNBSCAZCQDLUDU-DOFZRALJSA-N" } }, "CID:5284329": { "type": "Drug", "properties": { "id": "CID:5284329", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284329", "label": "purmorphamine", "FDA_Category_D_L1000_Similarity": 0.747722, "FDA_Category_D_Structural_Similarity": 0.180954, "FDA_Category_D_Weighted_Contribution": 0.494683, "FDA_Category_D_Top_Rank": -0.0779015, "FDA_Category_X_L1000_Similarity": -0.635874, "FDA_Category_X_Structural_Similarity": -0.51141, "FDA_Category_X_Weighted_Contribution": -0.813091, "FDA_Category_X_Top_Rank": -0.0899906, "FDA_Category_D_and_X_L1000_Similarity": 0.451438, "FDA_Category_D_and_X_Structural_Similarity": -0.132329, "FDA_Category_D_and_X_Weighted_Contribution": -0.0239379, "FDA_Category_D_and_X_Top_Rank": -0.0866049, "Placenta_Crossing_L1000_Similarity": 0.347847, "Placenta_Crossing_Structural_Similarity": 0.256286, "Placenta_Crossing_Weighted_Contribution": 0.275825, "Placenta_Crossing_Top_Rank": -0.0763058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7", "InChI_key": "FYBHCRQFSFYWPY-UHFFFAOYSA-N" } }, "CID:5288600": { "type": "Drug", "properties": { "id": "CID:5288600", "label": "ic261", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5288600", "FDA_Category_D_L1000_Similarity": 0.606981, "FDA_Category_D_Structural_Similarity": 1.70038, "FDA_Category_D_Weighted_Contribution": 2.03873, "FDA_Category_D_Top_Rank": 0.00541972, "FDA_Category_X_L1000_Similarity": -0.893911, "FDA_Category_X_Structural_Similarity": 0.484239, "FDA_Category_X_Weighted_Contribution": -0.0869888, "FDA_Category_X_Top_Rank": -0.062703, "FDA_Category_D_and_X_L1000_Similarity": 0.251762, "FDA_Category_D_and_X_Structural_Similarity": 1.61091, "FDA_Category_D_and_X_Weighted_Contribution": 1.65791, "FDA_Category_D_and_X_Top_Rank": -0.00489206, "Placenta_Crossing_L1000_Similarity": -0.547196, "Placenta_Crossing_Structural_Similarity": -0.393573, "Placenta_Crossing_Weighted_Contribution": -0.678875, "Placenta_Crossing_Top_Rank": -0.0886464, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C(=C1)OC)C=C2C3=CC=CC=C3NC2=O)OC", "InChI_key": "JBJYTZXCZDNOJW-JLHYYAGUSA-N" } }, "CID:5288783": { "type": "Drug", "properties": { "id": "CID:5288783", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5288783", "label": "calcipotriol", "FDA_Category_D_L1000_Similarity": -0.572271, "FDA_Category_D_Structural_Similarity": -0.429648, "FDA_Category_D_Weighted_Contribution": -0.735282, "FDA_Category_D_Top_Rank": -0.0932937, "FDA_Category_X_L1000_Similarity": 2.06481, "FDA_Category_X_Structural_Similarity": 2.97594, "FDA_Category_X_Weighted_Contribution": 3.74382, "FDA_Category_X_Top_Rank": 0.215287, "FDA_Category_D_and_X_L1000_Similarity": 0.133738, "FDA_Category_D_and_X_Structural_Similarity": 1.26479, "FDA_Category_D_and_X_Weighted_Contribution": 1.21954, "FDA_Category_D_and_X_Top_Rank": -0.0346064, "Placenta_Crossing_L1000_Similarity": -0.097283, "Placenta_Crossing_Structural_Similarity": 1.35262, "Placenta_Crossing_Weighted_Contribution": 1.19081, "Placenta_Crossing_Top_Rank": -0.0298712, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C", "InChI_key": "LWQQLNNNIPYSNX-UROSTWAQSA-N" } }, "CID:53025": { "type": "Drug", "properties": { "id": "CID:53025", "label": "cefotetan", "lsm": "LSM-5961", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53025", "FDA_Category_D_L1000_Similarity": 0.497256, "FDA_Category_D_Structural_Similarity": 0.405691, "FDA_Category_D_Weighted_Contribution": 0.576423, "FDA_Category_D_Top_Rank": -0.0742465, "FDA_Category_X_L1000_Similarity": 2.14003, "FDA_Category_X_Structural_Similarity": 1.19693, "FDA_Category_X_Weighted_Contribution": 2.34278, "FDA_Category_X_Top_Rank": 0.0399316, "FDA_Category_D_and_X_L1000_Similarity": 1.07853, "FDA_Category_D_and_X_Structural_Similarity": 0.967861, "FDA_Category_D_and_X_Weighted_Contribution": 1.46814, "FDA_Category_D_and_X_Top_Rank": -0.0551545, "Placenta_Crossing_L1000_Similarity": 1.72701, "Placenta_Crossing_Structural_Similarity": 4.67228, "Placenta_Crossing_Weighted_Contribution": 4.08989, "Placenta_Crossing_Top_Rank": 0.747732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CO[C@]1(NC(=O)C2S\\C(S2)=C(\\C(N)=O)C(O)=O)[C@H]3SCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C", "InChI_key": "SRZNHPXWXCNNDU-IXOPCIAXSA-N" } }, "CID:5310993": { "type": "Drug", "properties": { "id": "CID:5310993", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5310993", "label": "acipimox", "FDA_Category_D_L1000_Similarity": 1.22877, "FDA_Category_D_Structural_Similarity": -0.617685, "FDA_Category_D_Weighted_Contribution": -0.018998, "FDA_Category_D_Top_Rank": -0.0457079, "FDA_Category_X_L1000_Similarity": 0.511069, "FDA_Category_X_Structural_Similarity": -0.556928, "FDA_Category_X_Weighted_Contribution": -0.395605, "FDA_Category_X_Top_Rank": -0.0823754, "FDA_Category_D_and_X_L1000_Similarity": 1.21443, "FDA_Category_D_and_X_Structural_Similarity": -0.790781, "FDA_Category_D_and_X_Weighted_Contribution": -0.229851, "FDA_Category_D_and_X_Top_Rank": -0.0538835, "Placenta_Crossing_L1000_Similarity": 0.927488, "Placenta_Crossing_Structural_Similarity": -0.688261, "Placenta_Crossing_Weighted_Contribution": -0.324254, "Placenta_Crossing_Top_Rank": -0.0728327, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=CN=C(C=[N+]1[O-])C(=O)O", "InChI_key": "DJQOOSBJCLSSEY-UHFFFAOYSA-N" } }, "CID:5312529": { "type": "Drug", "properties": { "id": "CID:5312529", "label": "eicosatrienoic-acid", "lsm": "LSM-3427", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312529", "FDA_Category_D_L1000_Similarity": 1.69014, "FDA_Category_D_Structural_Similarity": -0.897882, "FDA_Category_D_Weighted_Contribution": -0.0284021, "FDA_Category_D_Top_Rank": 0.0383059, "FDA_Category_X_L1000_Similarity": -0.938425, "FDA_Category_X_Structural_Similarity": -0.60661, "FDA_Category_X_Weighted_Contribution": -0.980208, "FDA_Category_X_Top_Rank": -0.0911403, "FDA_Category_D_and_X_L1000_Similarity": 1.17194, "FDA_Category_D_and_X_Structural_Similarity": -1.03998, "FDA_Category_D_and_X_Weighted_Contribution": -0.456099, "FDA_Category_D_and_X_Top_Rank": -0.0569239, "Placenta_Crossing_L1000_Similarity": 0.560459, "Placenta_Crossing_Structural_Similarity": -0.95007, "Placenta_Crossing_Weighted_Contribution": -0.674966, "Placenta_Crossing_Top_Rank": -0.0818827, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC=CCC=CCC=CCCCCCCCCCC(=O)O", "InChI_key": "AHANXAKGNAKFSK-PDBXOOCHSA-N" } }, "CID:5316606": { "type": "Drug", "properties": { "id": "CID:5316606", "label": "piceid", "lsm": "LSM-5542", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5316606", "FDA_Category_D_L1000_Similarity": 0.304793, "FDA_Category_X_L1000_Similarity": 0.100389, "FDA_Category_D_and_X_L1000_Similarity": 0.293232, "Placenta_Crossing_L1000_Similarity": 0.579054, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O", "InChI_key": "MFMQRDLLSRLUJY-DXKBKAGUSA-N" } }, "CID:5323": { "type": "Drug", "properties": { "id": "CID:5323", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5323", "label": "sulfadimethoxine", "FDA_Category_D_L1000_Similarity": -0.736005, "FDA_Category_D_Structural_Similarity": 0.517608, "FDA_Category_D_Weighted_Contribution": -0.0332898, "FDA_Category_D_Top_Rank": -0.0703742, "FDA_Category_X_L1000_Similarity": -0.0357029, "FDA_Category_X_Structural_Similarity": 2.39482, "FDA_Category_X_Weighted_Contribution": 2.45443, "FDA_Category_X_Top_Rank": 0.0928552, "FDA_Category_D_and_X_L1000_Similarity": -0.645286, "FDA_Category_D_and_X_Structural_Similarity": 1.70307, "FDA_Category_D_and_X_Weighted_Contribution": 1.22123, "FDA_Category_D_and_X_Top_Rank": 0.00428093, "Placenta_Crossing_L1000_Similarity": -0.0537503, "Placenta_Crossing_Structural_Similarity": 0.933756, "Placenta_Crossing_Weighted_Contribution": 0.76442, "Placenta_Crossing_Top_Rank": -0.0530898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC", "InChI_key": "ZZORFUFYDOWNEF-UHFFFAOYSA-N" } }, "CID:5328748": { "type": "Drug", "properties": { "id": "CID:5328748", "label": "ag-370", "lsm": "LSM-2725", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5328748", "FDA_Category_D_L1000_Similarity": 0.82433, "FDA_Category_D_Structural_Similarity": -0.592161, "FDA_Category_D_Weighted_Contribution": -0.211995, "FDA_Category_D_Top_Rank": -0.074704, "FDA_Category_X_L1000_Similarity": 1.86852, "FDA_Category_X_Structural_Similarity": -0.633898, "FDA_Category_X_Weighted_Contribution": 0.174584, "FDA_Category_X_Top_Rank": -0.0109759, "FDA_Category_D_and_X_L1000_Similarity": 1.27801, "FDA_Category_D_and_X_Structural_Similarity": -0.812055, "FDA_Category_D_and_X_Weighted_Contribution": -0.217408, "FDA_Category_D_and_X_Top_Rank": -0.0488237, "Placenta_Crossing_L1000_Similarity": 1.69498, "Placenta_Crossing_Structural_Similarity": -1.05503, "Placenta_Crossing_Weighted_Contribution": -0.305142, "Placenta_Crossing_Top_Rank": -0.016284, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N", "InChI_key": "CMMDWEJTQUTCKG-WUXMJOGZSA-N" } }, "CID:5328807": { "type": "Drug", "properties": { "id": "CID:5328807", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5328807", "label": "tyrphostin-51", "FDA_Category_D_L1000_Similarity": 0.931792, "FDA_Category_D_Structural_Similarity": -0.630297, "FDA_Category_D_Weighted_Contribution": -0.189928, "FDA_Category_D_Top_Rank": -0.0695897, "FDA_Category_X_L1000_Similarity": 1.3851, "FDA_Category_X_Structural_Similarity": -0.644615, "FDA_Category_X_Weighted_Contribution": -0.0758849, "FDA_Category_X_Top_Rank": -0.0541521, "FDA_Category_D_and_X_L1000_Similarity": 1.22384, "FDA_Category_D_and_X_Structural_Similarity": -0.848107, "FDA_Category_D_and_X_Weighted_Contribution": -0.274476, "FDA_Category_D_and_X_Top_Rank": -0.0531574, "Placenta_Crossing_L1000_Similarity": 1.32445, "Placenta_Crossing_Structural_Similarity": -0.994376, "Placenta_Crossing_Weighted_Contribution": -0.411121, "Placenta_Crossing_Top_Rank": -0.0541238, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=C(C#N)C#N)N", "InChI_key": "JKNOYWVMHPMBEL-UNXLUWIOSA-N" } }, "CID:5337366": { "type": "Drug", "properties": { "id": "CID:5337366", "label": "sa-25547", "lsm": "LSM-4775", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5337366", "FDA_Category_D_L1000_Similarity": -2.7584, "FDA_Category_D_Structural_Similarity": 0.858379, "FDA_Category_D_Weighted_Contribution": -0.729709, "FDA_Category_D_Top_Rank": -0.0583044, "FDA_Category_X_L1000_Similarity": -2.87205, "FDA_Category_X_Structural_Similarity": 1.62993, "FDA_Category_X_Weighted_Contribution": 0.0652773, "FDA_Category_X_Top_Rank": 0.00129128, "FDA_Category_D_and_X_L1000_Similarity": -3.24998, "FDA_Category_D_and_X_Structural_Similarity": 1.56081, "FDA_Category_D_and_X_Weighted_Contribution": -0.3574, "FDA_Category_D_and_X_Top_Rank": -0.00937531, "Placenta_Crossing_L1000_Similarity": -3.50116, "Placenta_Crossing_Structural_Similarity": 0.914844, "Placenta_Crossing_Weighted_Contribution": -0.810768, "Placenta_Crossing_Top_Rank": -0.0541598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NNC(=O)C1=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4", "InChI_key": "NYSNWKVZPJLWBH-WQRHYEAKSA-N" } }, "CID:53377448": { "type": "Drug", "properties": { "id": "CID:53377448", "label": "ML-281", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53377448", "FDA_Category_D_L1000_Similarity": 0.909706, "FDA_Category_D_Structural_Similarity": -0.62691, "FDA_Category_D_Weighted_Contribution": -0.198443, "FDA_Category_D_Top_Rank": -0.0709795, "FDA_Category_X_L1000_Similarity": 1.4235, "FDA_Category_X_Structural_Similarity": -0.590498, "FDA_Category_X_Weighted_Contribution": -0.00476084, "FDA_Category_X_Top_Rank": -0.0515641, "FDA_Category_D_and_X_L1000_Similarity": 1.21647, "FDA_Category_D_and_X_Structural_Similarity": -0.816217, "FDA_Category_D_and_X_Weighted_Contribution": -0.250763, "FDA_Category_D_and_X_Top_Rank": -0.0537569, "Placenta_Crossing_L1000_Similarity": 1.85606, "Placenta_Crossing_Structural_Similarity": -0.238323, "Placenta_Crossing_Weighted_Contribution": 0.550918, "Placenta_Crossing_Top_Rank": 0.00975327, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5353": { "type": "Drug", "properties": { "id": "CID:5353", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5353", "label": "Sulmazole", "FDA_Category_D_L1000_Similarity": 1.29149, "FDA_Category_D_Structural_Similarity": -0.146655, "FDA_Category_D_Weighted_Contribution": 0.485122, "FDA_Category_D_Top_Rank": -0.0381727, "FDA_Category_X_L1000_Similarity": 0.135762, "FDA_Category_X_Structural_Similarity": -0.710103, "FDA_Category_X_Weighted_Contribution": -0.674293, "FDA_Category_X_Top_Rank": -0.0865572, "FDA_Category_D_and_X_L1000_Similarity": 1.15451, "FDA_Category_D_and_X_Structural_Similarity": -0.499571, "FDA_Category_D_and_X_Weighted_Contribution": 0.0008692, "FDA_Category_D_and_X_Top_Rank": -0.058807, "Placenta_Crossing_L1000_Similarity": 1.17246, "Placenta_Crossing_Structural_Similarity": -0.327223, "Placenta_Crossing_Weighted_Contribution": 0.114391, "Placenta_Crossing_Top_Rank": -0.0631423, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5353852": { "type": "Drug", "properties": { "id": "CID:5353852", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5353852", "label": "Oxamflatin", "FDA_Category_D_L1000_Similarity": -0.502104, "FDA_Category_D_Structural_Similarity": -0.122393, "FDA_Category_D_Weighted_Contribution": -0.471794, "FDA_Category_D_Top_Rank": -0.0880716, "FDA_Category_X_L1000_Similarity": -1.53591, "FDA_Category_X_Structural_Similarity": 5.26996, "FDA_Category_X_Weighted_Contribution": 3.98881, "FDA_Category_X_Top_Rank": 1.16231, "FDA_Category_D_and_X_L1000_Similarity": -0.899249, "FDA_Category_D_and_X_Structural_Similarity": 2.74651, "FDA_Category_D_and_X_Weighted_Contribution": 2.15601, "FDA_Category_D_and_X_Top_Rank": 0.146602, "Placenta_Crossing_L1000_Similarity": -0.988129, "Placenta_Crossing_Structural_Similarity": 0.32467, "Placenta_Crossing_Weighted_Contribution": -0.289353, "Placenta_Crossing_Top_Rank": -0.0744829, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5359371": { "type": "Drug", "properties": { "id": "CID:5359371", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5359371", "label": "levallorphan", "FDA_Category_D_L1000_Similarity": 0.926187, "FDA_Category_D_Structural_Similarity": -0.15297, "FDA_Category_D_Weighted_Contribution": 0.260216, "FDA_Category_D_Top_Rank": -0.0698618, "FDA_Category_X_L1000_Similarity": 1.10531, "FDA_Category_X_Structural_Similarity": -0.263495, "FDA_Category_X_Weighted_Contribution": 0.162851, "FDA_Category_X_Top_Rank": -0.0679047, "FDA_Category_D_and_X_L1000_Similarity": 1.13405, "FDA_Category_D_and_X_Structural_Similarity": -0.263595, "FDA_Category_D_and_X_Weighted_Contribution": 0.214227, "FDA_Category_D_and_X_Top_Rank": -0.0603528, "Placenta_Crossing_L1000_Similarity": 1.29912, "Placenta_Crossing_Structural_Similarity": 1.02725, "Placenta_Crossing_Weighted_Contribution": 1.603, "Placenta_Crossing_Top_Rank": -0.0487402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O", "InChI_key": "OZYUPQUCAUTOBP-QXAKKESOSA-N" } }, "CID:5458428": { "type": "Drug", "properties": { "id": "CID:5458428", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5458428", "label": "cytochalasin-d", "FDA_Category_D_L1000_Similarity": -2.32852, "FDA_Category_D_Structural_Similarity": 0.422256, "FDA_Category_D_Weighted_Contribution": -0.855873, "FDA_Category_D_Top_Rank": -0.0737438, "FDA_Category_X_L1000_Similarity": -0.567466, "FDA_Category_X_Structural_Similarity": -0.548058, "FDA_Category_X_Weighted_Contribution": -0.814813, "FDA_Category_X_Top_Rank": -0.0902493, "FDA_Category_D_and_X_L1000_Similarity": -2.17956, "FDA_Category_D_and_X_Structural_Similarity": 0.0394202, "FDA_Category_D_and_X_Weighted_Contribution": -1.00283, "FDA_Category_D_and_X_Top_Rank": -0.0855, "Placenta_Crossing_L1000_Similarity": -2.82259, "Placenta_Crossing_Structural_Similarity": -0.959964, "Placenta_Crossing_Weighted_Contribution": -1.54081, "Placenta_Crossing_Top_Rank": -0.0923468, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "SDZRWUKZFQQKKV-NJXDYHGESA-N" } }, "CID:54653980": { "type": "Drug", "properties": { "id": "CID:54653980", "label": "SA-1472321", "lsm": "LSM-11159", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54653980", "FDA_Category_D_L1000_Similarity": 1.02716, "FDA_Category_X_L1000_Similarity": 0.201915, "FDA_Category_D_and_X_L1000_Similarity": 0.946753, "Placenta_Crossing_L1000_Similarity": 0.512067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654435": { "type": "Drug", "properties": { "id": "CID:54654435", "label": "SA-1472702", "lsm": "LSM-9278", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654435", "FDA_Category_D_L1000_Similarity": 1.01231, "FDA_Category_X_L1000_Similarity": 0.343689, "FDA_Category_D_and_X_L1000_Similarity": 0.977001, "Placenta_Crossing_L1000_Similarity": 1.7242, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654437": { "type": "Drug", "properties": { "id": "CID:54654437", "label": "SA-1472734", "lsm": "LSM-10478", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654437", "FDA_Category_D_L1000_Similarity": 0.501877, "FDA_Category_X_L1000_Similarity": 0.91643, "FDA_Category_D_and_X_L1000_Similarity": 0.710933, "Placenta_Crossing_L1000_Similarity": 0.613966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654463": { "type": "Drug", "properties": { "id": "CID:54654463", "label": "SA-1472542", "lsm": "LSM-14283", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654463", "FDA_Category_D_L1000_Similarity": 0.624745, "FDA_Category_X_L1000_Similarity": 0.634425, "FDA_Category_D_and_X_L1000_Similarity": 0.731201, "Placenta_Crossing_L1000_Similarity": 0.622823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654609": { "type": "Drug", "properties": { "id": "CID:54654609", "label": "SA-1463787", "lsm": "LSM-11248", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654609", "FDA_Category_D_L1000_Similarity": 1.19063, "FDA_Category_X_L1000_Similarity": 1.98676, "FDA_Category_D_and_X_L1000_Similarity": 1.62969, "Placenta_Crossing_L1000_Similarity": 1.50773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54655704": { "type": "Drug", "properties": { "id": "CID:54655704", "label": "SA-1462738", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54655704", "FDA_Category_D_L1000_Similarity": 0.286432, "FDA_Category_D_Structural_Similarity": -0.496109, "FDA_Category_D_Weighted_Contribution": -0.399875, "FDA_Category_D_Top_Rank": -0.0890675, "FDA_Category_X_L1000_Similarity": 1.1678, "FDA_Category_X_Structural_Similarity": -0.389418, "FDA_Category_X_Weighted_Contribution": 0.0674793, "FDA_Category_X_Top_Rank": -0.0656657, "FDA_Category_D_and_X_L1000_Similarity": 0.601545, "FDA_Category_D_and_X_Structural_Similarity": -0.603897, "FDA_Category_D_and_X_Weighted_Contribution": -0.362077, "FDA_Category_D_and_X_Top_Rank": -0.0833994, "Placenta_Crossing_L1000_Similarity": 0.897079, "Placenta_Crossing_Structural_Similarity": -0.402969, "Placenta_Crossing_Weighted_Contribution": -0.0873522, "Placenta_Crossing_Top_Rank": -0.0736573, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657707": { "type": "Drug", "properties": { "id": "CID:54657707", "label": "SA-1459291", "lsm": "LSM-11640", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657707", "FDA_Category_D_L1000_Similarity": 0.982142, "FDA_Category_D_Structural_Similarity": -0.691681, "FDA_Category_D_Weighted_Contribution": -0.218292, "FDA_Category_D_Top_Rank": -0.0662506, "FDA_Category_X_L1000_Similarity": 0.921249, "FDA_Category_X_Structural_Similarity": 0.256787, "FDA_Category_X_Weighted_Contribution": 0.617032, "FDA_Category_X_Top_Rank": -0.0713313, "FDA_Category_D_and_X_L1000_Similarity": 1.12639, "FDA_Category_D_and_X_Structural_Similarity": -0.410435, "FDA_Category_D_and_X_Weighted_Contribution": 0.0694115, "FDA_Category_D_and_X_Top_Rank": -0.0607615, "Placenta_Crossing_L1000_Similarity": 1.23247, "Placenta_Crossing_Structural_Similarity": 0.820855, "Placenta_Crossing_Weighted_Contribution": 1.34518, "Placenta_Crossing_Top_Rank": -0.0588021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657711": { "type": "Drug", "properties": { "id": "CID:54657711", "label": "SA-1456751", "lsm": "LSM-9796", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657711", "FDA_Category_D_L1000_Similarity": 1.38475, "FDA_Category_X_L1000_Similarity": 0.385488, "FDA_Category_D_and_X_L1000_Similarity": 1.31074, "Placenta_Crossing_L1000_Similarity": 1.58773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657728": { "type": "Drug", "properties": { "id": "CID:54657728", "label": "SA-1459224", "lsm": "LSM-14217", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657728", "FDA_Category_D_L1000_Similarity": 0.791487, "FDA_Category_X_L1000_Similarity": -0.353738, "FDA_Category_D_and_X_L1000_Similarity": 0.57486, "Placenta_Crossing_L1000_Similarity": 0.762547, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657732": { "type": "Drug", "properties": { "id": "CID:54657732", "label": "SA-1458985", "lsm": "LSM-13056", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657732", "FDA_Category_D_L1000_Similarity": -0.00453972, "FDA_Category_X_L1000_Similarity": 0.679629, "FDA_Category_D_and_X_L1000_Similarity": 0.20247, "Placenta_Crossing_L1000_Similarity": 0.523106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657740": { "type": "Drug", "properties": { "id": "CID:54657740", "label": "SA-1456570", "lsm": "LSM-9456", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657740", "FDA_Category_D_L1000_Similarity": -1.27377, "FDA_Category_D_Structural_Similarity": -0.0808355, "FDA_Category_D_Weighted_Contribution": -0.778608, "FDA_Category_D_Top_Rank": -0.087087, "FDA_Category_X_L1000_Similarity": -1.70414, "FDA_Category_X_Structural_Similarity": -0.111069, "FDA_Category_X_Weighted_Contribution": -0.906216, "FDA_Category_X_Top_Rank": -0.0825833, "FDA_Category_D_and_X_L1000_Similarity": -1.61553, "FDA_Category_D_and_X_Structural_Similarity": -0.124093, "FDA_Category_D_and_X_Weighted_Contribution": -0.911751, "FDA_Category_D_and_X_Top_Rank": -0.0888376, "Placenta_Crossing_L1000_Similarity": -1.18206, "Placenta_Crossing_Structural_Similarity": 0.644544, "Placenta_Crossing_Weighted_Contribution": -0.0939512, "Placenta_Crossing_Top_Rank": -0.0649633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657741": { "type": "Drug", "properties": { "id": "CID:54657741", "label": "SA-1456039", "lsm": "LSM-9739", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657741", "FDA_Category_D_L1000_Similarity": -0.0377341, "FDA_Category_X_L1000_Similarity": 0.251947, "FDA_Category_D_and_X_L1000_Similarity": 0.0439867, "Placenta_Crossing_L1000_Similarity": 0.0644759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657742": { "type": "Drug", "properties": { "id": "CID:54657742", "label": "SA-1455791", "lsm": "LSM-11408", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657742", "FDA_Category_D_L1000_Similarity": -0.550755, "FDA_Category_X_L1000_Similarity": -1.05575, "FDA_Category_D_and_X_L1000_Similarity": -0.795369, "Placenta_Crossing_L1000_Similarity": -1.01908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657751": { "type": "Drug", "properties": { "id": "CID:54657751", "label": "SA-1458306", "lsm": "LSM-13037", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657751", "FDA_Category_D_L1000_Similarity": -0.0856604, "FDA_Category_X_L1000_Similarity": -0.87189, "FDA_Category_D_and_X_L1000_Similarity": -0.338621, "Placenta_Crossing_L1000_Similarity": 0.149096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658669": { "type": "Drug", "properties": { "id": "CID:54658669", "label": "SA-1456227", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658669", "FDA_Category_D_L1000_Similarity": -0.0465565, "FDA_Category_X_L1000_Similarity": -0.329607, "FDA_Category_D_and_X_L1000_Similarity": -0.140225, "Placenta_Crossing_L1000_Similarity": 0.175312, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658844": { "type": "Drug", "properties": { "id": "CID:54658844", "label": "SA-1457992", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658844", "FDA_Category_D_L1000_Similarity": -0.163743, "FDA_Category_D_Structural_Similarity": -0.529266, "FDA_Category_D_Weighted_Contribution": -0.63375, "FDA_Category_D_Top_Rank": -0.0934513, "FDA_Category_X_L1000_Similarity": 0.718052, "FDA_Category_X_Structural_Similarity": -0.420898, "FDA_Category_X_Weighted_Contribution": -0.180073, "FDA_Category_X_Top_Rank": -0.0788121, "FDA_Category_D_and_X_L1000_Similarity": 0.0769065, "FDA_Category_D_and_X_Structural_Similarity": -0.6472, "FDA_Category_D_and_X_Weighted_Contribution": -0.624696, "FDA_Category_D_and_X_Top_Rank": -0.0915248, "Placenta_Crossing_L1000_Similarity": 0.28293, "Placenta_Crossing_Structural_Similarity": 0.41275, "Placenta_Crossing_Weighted_Contribution": 0.399949, "Placenta_Crossing_Top_Rank": -0.072117, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659308": { "type": "Drug", "properties": { "id": "CID:54659308", "label": "SA-1457169", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659308", "FDA_Category_D_L1000_Similarity": 0.474174, "FDA_Category_D_Structural_Similarity": -0.607333, "FDA_Category_D_Weighted_Contribution": -0.40094, "FDA_Category_D_Top_Rank": -0.0857621, "FDA_Category_X_L1000_Similarity": 0.499731, "FDA_Category_X_Structural_Similarity": -0.48247, "FDA_Category_X_Weighted_Contribution": -0.335354, "FDA_Category_X_Top_Rank": -0.0825087, "FDA_Category_D_and_X_L1000_Similarity": 0.56051, "FDA_Category_D_and_X_Structural_Similarity": -0.742387, "FDA_Category_D_and_X_Weighted_Contribution": -0.491613, "FDA_Category_D_and_X_Top_Rank": -0.084449, "Placenta_Crossing_L1000_Similarity": 0.475607, "Placenta_Crossing_Structural_Similarity": -0.465274, "Placenta_Crossing_Weighted_Contribution": -0.329524, "Placenta_Crossing_Top_Rank": -0.0833453, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660617": { "type": "Drug", "properties": { "id": "CID:54660617", "label": "SA-1457458", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660617", "FDA_Category_D_L1000_Similarity": 0.891077, "FDA_Category_X_L1000_Similarity": -0.220102, "FDA_Category_D_and_X_L1000_Similarity": 0.701284, "Placenta_Crossing_L1000_Similarity": 0.644934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666590": { "type": "Drug", "properties": { "id": "CID:54666590", "label": "SA-1922959", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666590", "FDA_Category_D_L1000_Similarity": -0.183322, "FDA_Category_D_Structural_Similarity": -0.530215, "FDA_Category_D_Weighted_Contribution": -0.642999, "FDA_Category_D_Top_Rank": -0.0935864, "FDA_Category_X_L1000_Similarity": 0.0631003, "FDA_Category_X_Structural_Similarity": -0.292838, "FDA_Category_X_Weighted_Contribution": -0.360795, "FDA_Category_X_Top_Rank": -0.0863817, "FDA_Category_D_and_X_L1000_Similarity": -0.138866, "FDA_Category_D_and_X_Structural_Similarity": -0.578853, "FDA_Category_D_and_X_Weighted_Contribution": -0.662856, "FDA_Category_D_and_X_Top_Rank": -0.093248, "Placenta_Crossing_L1000_Similarity": 0.0335516, "Placenta_Crossing_Structural_Similarity": 0.106576, "Placenta_Crossing_Weighted_Contribution": -0.0216065, "Placenta_Crossing_Top_Rank": -0.0798392, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666591": { "type": "Drug", "properties": { "id": "CID:54666591", "label": "SA-1922932", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666591", "FDA_Category_D_L1000_Similarity": -0.431259, "FDA_Category_X_L1000_Similarity": -0.359207, "FDA_Category_D_and_X_L1000_Similarity": -0.480834, "Placenta_Crossing_L1000_Similarity": 0.0331969, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666593": { "type": "Drug", "properties": { "id": "CID:54666593", "label": "SA-1920687", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666593", "FDA_Category_D_L1000_Similarity": -0.572181, "FDA_Category_X_L1000_Similarity": 1.19573, "FDA_Category_D_and_X_L1000_Similarity": -0.130111, "Placenta_Crossing_L1000_Similarity": -0.0915915, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666595": { "type": "Drug", "properties": { "id": "CID:54666595", "label": "SA-1921085", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666595", "FDA_Category_D_L1000_Similarity": -1.81495, "FDA_Category_X_L1000_Similarity": 1.43328, "FDA_Category_D_and_X_L1000_Similarity": -1.12926, "Placenta_Crossing_L1000_Similarity": -2.096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666869": { "type": "Drug", "properties": { "id": "CID:54666869", "label": "SA-1920942", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666869", "FDA_Category_D_L1000_Similarity": 0.287554, "FDA_Category_X_L1000_Similarity": -0.555616, "FDA_Category_D_and_X_L1000_Similarity": 0.0791428, "Placenta_Crossing_L1000_Similarity": 0.313687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54667764": { "type": "Drug", "properties": { "id": "CID:54667764", "label": "SA-1920756", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54667764", "FDA_Category_D_L1000_Similarity": -0.327587, "FDA_Category_D_Structural_Similarity": -0.689302, "FDA_Category_D_Weighted_Contribution": -0.81575, "FDA_Category_D_Top_Rank": -0.094382, "FDA_Category_X_L1000_Similarity": -0.169525, "FDA_Category_X_Structural_Similarity": -0.274768, "FDA_Category_X_Weighted_Contribution": -0.445722, "FDA_Category_X_Top_Rank": -0.0860378, "FDA_Category_D_and_X_L1000_Similarity": -0.333864, "FDA_Category_D_and_X_Structural_Similarity": -0.695372, "FDA_Category_D_and_X_Weighted_Contribution": -0.818058, "FDA_Category_D_and_X_Top_Rank": -0.0943892, "Placenta_Crossing_L1000_Similarity": 0.057731, "Placenta_Crossing_Structural_Similarity": 0.345769, "Placenta_Crossing_Weighted_Contribution": 0.218817, "Placenta_Crossing_Top_Rank": -0.0739571, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54668959": { "type": "Drug", "properties": { "id": "CID:54668959", "label": "SA-1919710", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54668959", "FDA_Category_D_L1000_Similarity": -1.6432, "FDA_Category_D_Structural_Similarity": -0.557848, "FDA_Category_D_Weighted_Contribution": -1.19212, "FDA_Category_D_Top_Rank": -0.0946857, "FDA_Category_X_L1000_Similarity": -0.832469, "FDA_Category_X_Structural_Similarity": -0.502492, "FDA_Category_X_Weighted_Contribution": -0.875736, "FDA_Category_X_Top_Rank": -0.0898704, "FDA_Category_D_and_X_L1000_Similarity": -1.66927, "FDA_Category_D_and_X_Structural_Similarity": -0.713914, "FDA_Category_D_and_X_Weighted_Contribution": -1.24477, "FDA_Category_D_and_X_Top_Rank": -0.0955059, "Placenta_Crossing_L1000_Similarity": -1.81877, "Placenta_Crossing_Structural_Similarity": 0.200117, "Placenta_Crossing_Weighted_Contribution": -0.715503, "Placenta_Crossing_Top_Rank": -0.0777062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669151": { "type": "Drug", "properties": { "id": "CID:54669151", "label": "SA-1921783", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669151", "FDA_Category_D_L1000_Similarity": -1.06972, "FDA_Category_X_L1000_Similarity": -0.0166321, "FDA_Category_D_and_X_L1000_Similarity": -0.927175, "Placenta_Crossing_L1000_Similarity": -1.64546, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669335": { "type": "Drug", "properties": { "id": "CID:54669335", "label": "SA-1919551", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669335", "FDA_Category_D_L1000_Similarity": -1.35972, "FDA_Category_D_Structural_Similarity": -0.759891, "FDA_Category_D_Weighted_Contribution": -1.2102, "FDA_Category_D_Top_Rank": -0.0962685, "FDA_Category_X_L1000_Similarity": -0.837225, "FDA_Category_X_Structural_Similarity": -0.578007, "FDA_Category_X_Weighted_Contribution": -0.928404, "FDA_Category_X_Top_Rank": -0.0908213, "FDA_Category_D_and_X_L1000_Similarity": -1.42634, "FDA_Category_D_and_X_Structural_Similarity": -0.915025, "FDA_Category_D_and_X_Weighted_Contribution": -1.27424, "FDA_Category_D_and_X_Top_Rank": -0.0964326, "Placenta_Crossing_L1000_Similarity": -0.924622, "Placenta_Crossing_Structural_Similarity": 0.340362, "Placenta_Crossing_Weighted_Contribution": -0.24814, "Placenta_Crossing_Top_Rank": -0.0740771, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669344": { "type": "Drug", "properties": { "id": "CID:54669344", "label": "SA-1919667", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669344", "FDA_Category_D_L1000_Similarity": -0.779666, "FDA_Category_X_L1000_Similarity": -1.36655, "FDA_Category_D_and_X_L1000_Similarity": -1.08708, "Placenta_Crossing_L1000_Similarity": -2.20588, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54685215": { "type": "Drug", "properties": { "id": "CID:54685215", "label": "IOX2", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54685215", "FDA_Category_D_L1000_Similarity": 1.507, "FDA_Category_D_Structural_Similarity": -0.205016, "FDA_Category_D_Weighted_Contribution": 0.556012, "FDA_Category_D_Top_Rank": -0.00645879, "FDA_Category_X_L1000_Similarity": 1.88643, "FDA_Category_X_Structural_Similarity": -0.488238, "FDA_Category_X_Weighted_Contribution": 0.334968, "FDA_Category_X_Top_Rank": -0.00764144, "FDA_Category_D_and_X_L1000_Similarity": 1.87193, "FDA_Category_D_and_X_Structural_Similarity": -0.426176, "FDA_Category_D_and_X_Weighted_Contribution": 0.464354, "FDA_Category_D_and_X_Top_Rank": 0.0517233, "Placenta_Crossing_L1000_Similarity": 2.53064, "Placenta_Crossing_Structural_Similarity": -0.893124, "Placenta_Crossing_Weighted_Contribution": 0.234199, "Placenta_Crossing_Top_Rank": 0.3088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5475": { "type": "Drug", "properties": { "id": "CID:5475", "label": "tilorone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5475", "FDA_Category_D_L1000_Similarity": -1.37219, "FDA_Category_D_Structural_Similarity": 1.25487, "FDA_Category_D_Weighted_Contribution": 0.322607, "FDA_Category_D_Top_Rank": -0.0369753, "FDA_Category_X_L1000_Similarity": -0.636778, "FDA_Category_X_Structural_Similarity": 3.3155, "FDA_Category_X_Weighted_Contribution": 3.03261, "FDA_Category_X_Top_Rank": 0.286378, "FDA_Category_D_and_X_L1000_Similarity": -1.37623, "FDA_Category_D_and_X_Structural_Similarity": 2.78504, "FDA_Category_D_and_X_Weighted_Contribution": 1.92811, "FDA_Category_D_and_X_Top_Rank": 0.149901, "Placenta_Crossing_L1000_Similarity": -1.33115, "Placenta_Crossing_Structural_Similarity": -0.310175, "Placenta_Crossing_Weighted_Contribution": -0.891526, "Placenta_Crossing_Top_Rank": -0.0876291, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5487": { "type": "Drug", "properties": { "id": "CID:5487", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5487", "label": "tizanidine", "FDA_Category_D_L1000_Similarity": 1.84556, "FDA_Category_D_Structural_Similarity": -0.175738, "FDA_Category_D_Weighted_Contribution": 0.79815, "FDA_Category_D_Top_Rank": 0.0928535, "FDA_Category_X_L1000_Similarity": 1.46411, "FDA_Category_X_Structural_Similarity": -0.417164, "FDA_Category_X_Weighted_Contribution": 0.189273, "FDA_Category_X_Top_Rank": -0.0494022, "FDA_Category_D_and_X_L1000_Similarity": 2.03552, "FDA_Category_D_and_X_Structural_Similarity": -0.364586, "FDA_Category_D_and_X_Weighted_Contribution": 0.621971, "FDA_Category_D_and_X_Top_Rank": 0.112815, "Placenta_Crossing_L1000_Similarity": 2.01986, "Placenta_Crossing_Structural_Similarity": 0.381525, "Placenta_Crossing_Weighted_Contribution": 1.30211, "Placenta_Crossing_Top_Rank": 0.0496186, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl", "InChI_key": "XFYDIVBRZNQMJC-UHFFFAOYSA-N" } }, "CID:5491": { "type": "Drug", "properties": { "id": "CID:5491", "label": "tetramethylsilane", "lsm": "LSM-3013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5491", "FDA_Category_D_L1000_Similarity": 0.56001, "FDA_Category_D_Structural_Similarity": -0.744277, "FDA_Category_D_Weighted_Contribution": -0.471735, "FDA_Category_D_Top_Rank": -0.0837186, "FDA_Category_X_L1000_Similarity": 1.24681, "FDA_Category_X_Structural_Similarity": -0.514128, "FDA_Category_X_Weighted_Contribution": -0.0165341, "FDA_Category_X_Top_Rank": -0.0618574, "FDA_Category_D_and_X_L1000_Similarity": 0.861379, "FDA_Category_D_and_X_Structural_Similarity": -0.868164, "FDA_Category_D_and_X_Weighted_Contribution": -0.457899, "FDA_Category_D_and_X_Top_Rank": -0.0756095, "Placenta_Crossing_L1000_Similarity": 1.91494, "Placenta_Crossing_Structural_Similarity": -0.893633, "Placenta_Crossing_Weighted_Contribution": -0.0638448, "Placenta_Crossing_Top_Rank": 0.0236283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC", "InChI_key": "JDBCWSHYEQUBLW-UHFFFAOYSA-N" } }, "CID:5491955": { "type": "Drug", "properties": { "id": "CID:5491955", "label": "cefozopran", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5491955", "FDA_Category_D_L1000_Similarity": 0.692203, "FDA_Category_D_Structural_Similarity": -0.327738, "FDA_Category_D_Weighted_Contribution": -0.0417076, "FDA_Category_D_Top_Rank": -0.0798549, "FDA_Category_X_L1000_Similarity": 0.669326, "FDA_Category_X_Structural_Similarity": -0.307084, "FDA_Category_X_Weighted_Contribution": -0.0956659, "FDA_Category_X_Top_Rank": -0.0798065, "FDA_Category_D_and_X_L1000_Similarity": 0.799957, "FDA_Category_D_and_X_Structural_Similarity": -0.425831, "FDA_Category_D_and_X_Weighted_Contribution": -0.113082, "FDA_Category_D_and_X_Top_Rank": -0.077782, "Placenta_Crossing_L1000_Similarity": 0.501018, "Placenta_Crossing_Structural_Similarity": 0.559571, "Placenta_Crossing_Weighted_Contribution": 0.666383, "Placenta_Crossing_Top_Rank": -0.0679741, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5494449": { "type": "Drug", "properties": { "id": "CID:5494449", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5494449", "label": "tozasertib", "FDA_Category_D_L1000_Similarity": -0.930751, "FDA_Category_D_Structural_Similarity": 0.632546, "FDA_Category_D_Weighted_Contribution": -0.0324495, "FDA_Category_D_Top_Rank": -0.0664157, "FDA_Category_X_L1000_Similarity": 1.92341, "FDA_Category_X_Structural_Similarity": -0.657675, "FDA_Category_X_Weighted_Contribution": 0.178356, "FDA_Category_X_Top_Rank": -0.00187635, "FDA_Category_D_and_X_L1000_Similarity": -0.218218, "FDA_Category_D_and_X_Structural_Similarity": 0.147181, "FDA_Category_D_and_X_Weighted_Contribution": -0.111057, "FDA_Category_D_and_X_Top_Rank": -0.0829315, "Placenta_Crossing_L1000_Similarity": -0.268743, "Placenta_Crossing_Structural_Similarity": 0.233299, "Placenta_Crossing_Weighted_Contribution": -0.0462467, "Placenta_Crossing_Top_Rank": -0.0769491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C", "InChI_key": "GCIKSSRWRFVXBI-UHFFFAOYSA-N" } }, "CID:5498067": { "type": "Drug", "properties": { "id": "CID:5498067", "label": "esculin", "lsm": "LSM-1968", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5498067", "FDA_Category_D_L1000_Similarity": 0.466659, "FDA_Category_D_Structural_Similarity": 1.44551, "FDA_Category_D_Weighted_Contribution": 1.68383, "FDA_Category_D_Top_Rank": -0.0227063, "FDA_Category_X_L1000_Similarity": 1.36763, "FDA_Category_X_Structural_Similarity": 0.834145, "FDA_Category_X_Weighted_Contribution": 1.52185, "FDA_Category_X_Top_Rank": -0.0486061, "FDA_Category_D_and_X_L1000_Similarity": 0.817586, "FDA_Category_D_and_X_Structural_Similarity": 1.59742, "FDA_Category_D_and_X_Weighted_Contribution": 1.97077, "FDA_Category_D_and_X_Top_Rank": -0.00621619, "Placenta_Crossing_L1000_Similarity": 0.315498, "Placenta_Crossing_Structural_Similarity": 1.49898, "Placenta_Crossing_Weighted_Contribution": 1.57392, "Placenta_Crossing_Top_Rank": -0.0201908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5501": { "type": "Drug", "properties": { "id": "CID:5501", "label": "todralazine", "lsm": "LSM-5763", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5501", "FDA_Category_D_L1000_Similarity": 0.202745, "FDA_Category_D_Structural_Similarity": -0.848176, "FDA_Category_D_Weighted_Contribution": -0.710119, "FDA_Category_D_Top_Rank": -0.0901721, "FDA_Category_X_L1000_Similarity": 2.41502, "FDA_Category_X_Structural_Similarity": -0.753912, "FDA_Category_X_Weighted_Contribution": 0.333742, "FDA_Category_X_Top_Rank": 0.122331, "FDA_Category_D_and_X_L1000_Similarity": 0.908159, "FDA_Category_D_and_X_Structural_Similarity": -1.08002, "FDA_Category_D_and_X_Weighted_Contribution": -0.600257, "FDA_Category_D_and_X_Top_Rank": -0.0737031, "Placenta_Crossing_L1000_Similarity": 0.842389, "Placenta_Crossing_Structural_Similarity": -0.710073, "Placenta_Crossing_Weighted_Contribution": -0.378495, "Placenta_Crossing_Top_Rank": -0.0752057, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5505": { "type": "Drug", "properties": { "id": "CID:5505", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5505", "label": "tolbutamide", "FDA_Category_D_L1000_Similarity": 1.51597, "FDA_Category_D_Structural_Similarity": -0.496548, "FDA_Category_D_Weighted_Contribution": 0.262011, "FDA_Category_D_Top_Rank": -0.00463478, "FDA_Category_X_L1000_Similarity": -0.161537, "FDA_Category_X_Structural_Similarity": -0.495499, "FDA_Category_X_Weighted_Contribution": -0.623111, "FDA_Category_X_Top_Rank": -0.0885773, "FDA_Category_D_and_X_L1000_Similarity": 1.25774, "FDA_Category_D_and_X_Structural_Similarity": -0.661486, "FDA_Category_D_and_X_Weighted_Contribution": -0.0942323, "FDA_Category_D_and_X_Top_Rank": -0.0509393, "Placenta_Crossing_L1000_Similarity": 2.17538, "Placenta_Crossing_Structural_Similarity": 0.112827, "Placenta_Crossing_Weighted_Contribution": 1.09692, "Placenta_Crossing_Top_Rank": 0.0971531, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C", "InChI_key": "JLRGJRBPOGGCBT-UHFFFAOYSA-N" } }, "CID:5511": { "type": "Drug", "properties": { "id": "CID:5511", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5511", "label": "tolperisone", "FDA_Category_D_L1000_Similarity": 1.15288, "FDA_Category_D_Structural_Similarity": -0.845545, "FDA_Category_D_Weighted_Contribution": -0.265603, "FDA_Category_D_Top_Rank": -0.0533279, "FDA_Category_X_L1000_Similarity": 1.58795, "FDA_Category_X_Structural_Similarity": -0.584117, "FDA_Category_X_Weighted_Contribution": 0.0829998, "FDA_Category_X_Top_Rank": -0.0407968, "FDA_Category_D_and_X_L1000_Similarity": 1.47603, "FDA_Category_D_and_X_Structural_Similarity": -0.986307, "FDA_Category_D_and_X_Weighted_Contribution": -0.271782, "FDA_Category_D_and_X_Top_Rank": -0.0269923, "Placenta_Crossing_L1000_Similarity": 1.59287, "Placenta_Crossing_Structural_Similarity": -0.473305, "Placenta_Crossing_Weighted_Contribution": 0.179398, "Placenta_Crossing_Top_Rank": -0.0296977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2", "InChI_key": "FSKFPVLPFLJRQB-UHFFFAOYSA-N" } }, "CID:55283": { "type": "Drug", "properties": { "id": "CID:55283", "label": "itraconazole", "lsm": "LSM-5032", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/55283", "IDG_ID": "1513", "FDA_Category_D_L1000_Similarity": -0.469178, "FDA_Category_D_Structural_Similarity": 3.2142, "FDA_Category_D_Weighted_Contribution": 2.86397, "FDA_Category_D_Top_Rank": 0.277157, "FDA_Category_X_L1000_Similarity": 1.45629, "FDA_Category_X_Structural_Similarity": -0.511245, "FDA_Category_X_Weighted_Contribution": 0.089999, "FDA_Category_X_Top_Rank": -0.0497478, "FDA_Category_D_and_X_L1000_Similarity": 0.0378073, "FDA_Category_D_and_X_Structural_Similarity": 2.27529, "FDA_Category_D_and_X_Weighted_Contribution": 2.20845, "FDA_Category_D_and_X_Top_Rank": 0.0725482, "Placenta_Crossing_L1000_Similarity": -0.634294, "Placenta_Crossing_Structural_Similarity": -0.790907, "Placenta_Crossing_Weighted_Contribution": -0.969945, "Placenta_Crossing_Top_Rank": -0.0911655, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl", "InChI_key": "VHVPQPYKVGDNFY-ZPGVKDDISA-N" } }, "CID:5560": { "type": "Drug", "properties": { "id": "CID:5560", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5560", "label": "trichlormethiazide", "FDA_Category_D_L1000_Similarity": -0.0875287, "FDA_Category_D_Structural_Similarity": 0.149445, "FDA_Category_D_Weighted_Contribution": -0.0224467, "FDA_Category_D_Top_Rank": -0.0812392, "FDA_Category_X_L1000_Similarity": -0.661571, "FDA_Category_X_Structural_Similarity": -0.364617, "FDA_Category_X_Weighted_Contribution": -0.714957, "FDA_Category_X_Top_Rank": -0.0876094, "FDA_Category_D_and_X_L1000_Similarity": -0.276361, "FDA_Category_D_and_X_Structural_Similarity": -0.0781295, "FDA_Category_D_and_X_Weighted_Contribution": -0.334222, "FDA_Category_D_and_X_Top_Rank": -0.0878971, "Placenta_Crossing_L1000_Similarity": 0.151896, "Placenta_Crossing_Structural_Similarity": 1.46167, "Placenta_Crossing_Weighted_Contribution": 1.44499, "Placenta_Crossing_Top_Rank": -0.0221689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl", "InChI_key": "LMJSLTNSBFUCMU-UHFFFAOYSA-N" } }, "CID:5565": { "type": "Drug", "properties": { "id": "CID:5565", "label": "triethylenetetramine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5565", "FDA_Category_D_L1000_Similarity": 0.956737, "FDA_Category_D_Structural_Similarity": 1.86553, "FDA_Category_D_Weighted_Contribution": 2.40615, "FDA_Category_D_Top_Rank": 0.0282726, "FDA_Category_X_L1000_Similarity": 1.55019, "FDA_Category_X_Structural_Similarity": -0.556629, "FDA_Category_X_Weighted_Contribution": 0.0916027, "FDA_Category_X_Top_Rank": -0.0439314, "FDA_Category_D_and_X_L1000_Similarity": 1.29548, "FDA_Category_D_and_X_Structural_Similarity": 1.18034, "FDA_Category_D_and_X_Weighted_Contribution": 1.81861, "FDA_Category_D_and_X_Top_Rank": -0.0405639, "Placenta_Crossing_L1000_Similarity": 1.79959, "Placenta_Crossing_Structural_Similarity": 0.248437, "Placenta_Crossing_Weighted_Contribution": 1.03752, "Placenta_Crossing_Top_Rank": 0.000124388, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CNCCNCCN)N", "InChI_key": "VILCJCGEZXAXTO-UHFFFAOYSA-N" } }, "CID:55652": { "type": "Drug", "properties": { "id": "CID:55652", "label": "spiradoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/55652", "FDA_Category_D_L1000_Similarity": 0.423848, "FDA_Category_D_Structural_Similarity": -0.711783, "FDA_Category_D_Weighted_Contribution": -0.509448, "FDA_Category_D_Top_Rank": -0.0867669, "FDA_Category_X_L1000_Similarity": -1.06773, "FDA_Category_X_Structural_Similarity": -0.277322, "FDA_Category_X_Weighted_Contribution": -0.800217, "FDA_Category_X_Top_Rank": -0.086064, "FDA_Category_D_and_X_L1000_Similarity": 0.0411103, "FDA_Category_D_and_X_Structural_Similarity": -0.714593, "FDA_Category_D_and_X_Weighted_Contribution": -0.687718, "FDA_Category_D_and_X_Top_Rank": -0.091846, "Placenta_Crossing_L1000_Similarity": 0.343752, "Placenta_Crossing_Structural_Similarity": -0.390313, "Placenta_Crossing_Weighted_Contribution": -0.322724, "Placenta_Crossing_Top_Rank": -0.0851514, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl", "InChI_key": "NYKCGQQJNVPOLU-ONTIZHBOSA-N" } }, "CID:5601": { "type": "Drug", "properties": { "id": "CID:5601", "label": "thenoyltrifluoroacetone", "lsm": "LSM-1997", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5601", "FDA_Category_D_L1000_Similarity": 1.18327, "FDA_Category_D_Structural_Similarity": -0.968334, "FDA_Category_D_Weighted_Contribution": -0.355607, "FDA_Category_D_Top_Rank": -0.0505939, "FDA_Category_X_L1000_Similarity": 0.0609581, "FDA_Category_X_Structural_Similarity": -0.71032, "FDA_Category_X_Weighted_Contribution": -0.702995, "FDA_Category_X_Top_Rank": -0.0871445, "FDA_Category_D_and_X_L1000_Similarity": 1.03849, "FDA_Category_D_and_X_Structural_Similarity": -1.15187, "FDA_Category_D_and_X_Weighted_Contribution": -0.599357, "FDA_Category_D_and_X_Top_Rank": -0.0666793, "Placenta_Crossing_L1000_Similarity": 1.33886, "Placenta_Crossing_Structural_Similarity": -1.11561, "Placenta_Crossing_Weighted_Contribution": -0.502263, "Placenta_Crossing_Top_Rank": -0.0531276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F", "InChI_key": "TXBBUSUXYMIVOS-UHFFFAOYSA-N" } }, "CID:56052": { "type": "Drug", "properties": { "id": "CID:56052", "label": "ractopamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56052", "FDA_Category_D_L1000_Similarity": 0.00680762, "FDA_Category_D_Structural_Similarity": 2.18172, "FDA_Category_D_Weighted_Contribution": 2.1708, "FDA_Category_D_Top_Rank": 0.0785888, "FDA_Category_X_L1000_Similarity": -1.13821, "FDA_Category_X_Structural_Similarity": -0.197512, "FDA_Category_X_Weighted_Contribution": -0.767928, "FDA_Category_X_Top_Rank": -0.0845308, "FDA_Category_D_and_X_L1000_Similarity": -0.339791, "FDA_Category_D_and_X_Structural_Similarity": 1.62509, "FDA_Category_D_and_X_Weighted_Contribution": 1.32109, "FDA_Category_D_and_X_Top_Rank": -0.00335845, "Placenta_Crossing_L1000_Similarity": -0.165404, "Placenta_Crossing_Structural_Similarity": 5.1515, "Placenta_Crossing_Weighted_Contribution": 3.9617, "Placenta_Crossing_Top_Rank": 1.16092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O", "InChI_key": "YJQZYXCXBBCEAQ-UHFFFAOYSA-N" } }, "CID:5641": { "type": "Drug", "properties": { "id": "CID:5641", "label": "urethane", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5641", "FDA_Category_D_L1000_Similarity": 0.521611, "FDA_Category_D_Structural_Similarity": 0.290883, "FDA_Category_D_Weighted_Contribution": 0.471316, "FDA_Category_D_Top_Rank": -0.0774387, "FDA_Category_X_L1000_Similarity": 1.44485, "FDA_Category_X_Structural_Similarity": -0.580851, "FDA_Category_X_Weighted_Contribution": 0.015193, "FDA_Category_X_Top_Rank": -0.0505907, "FDA_Category_D_and_X_L1000_Similarity": 0.888404, "FDA_Category_D_and_X_Structural_Similarity": -0.0825474, "FDA_Category_D_and_X_Weighted_Contribution": 0.256606, "FDA_Category_D_and_X_Top_Rank": -0.0746041, "Placenta_Crossing_L1000_Similarity": 1.65767, "Placenta_Crossing_Structural_Similarity": 0.57088, "Placenta_Crossing_Weighted_Contribution": 1.30817, "Placenta_Crossing_Top_Rank": -0.0214116, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)N", "InChI_key": "JOYRKODLDBILNP-UHFFFAOYSA-N" } }, "CID:56839178": { "type": "Drug", "properties": { "id": "CID:56839178", "label": "dubermatinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56839178", "FDA_Category_D_L1000_Similarity": -0.567272, "FDA_Category_D_Structural_Similarity": -0.542663, "FDA_Category_D_Weighted_Contribution": -0.811501, "FDA_Category_D_Top_Rank": -0.0945635, "FDA_Category_X_L1000_Similarity": -2.09369, "FDA_Category_X_Structural_Similarity": 0.0128701, "FDA_Category_X_Weighted_Contribution": -0.95338, "FDA_Category_X_Top_Rank": -0.0794531, "FDA_Category_D_and_X_L1000_Similarity": -1.12482, "FDA_Category_D_and_X_Structural_Similarity": -0.423774, "FDA_Category_D_and_X_Weighted_Contribution": -0.926846, "FDA_Category_D_and_X_Top_Rank": -0.0932111, "Placenta_Crossing_L1000_Similarity": -1.2614, "Placenta_Crossing_Structural_Similarity": -0.15304, "Placenta_Crossing_Weighted_Contribution": -0.764496, "Placenta_Crossing_Top_Rank": -0.08525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl", "InChI_key": "YUAALFPUEOYPNX-UHFFFAOYSA-N" } }, "CID:568416": { "type": "Drug", "properties": { "id": "CID:568416", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID568416", "label": "droxinostat", "FDA_Category_D_L1000_Similarity": -1.08401, "FDA_Category_D_Structural_Similarity": 0.664919, "FDA_Category_D_Weighted_Contribution": -0.085734, "FDA_Category_D_Top_Rank": -0.065328, "FDA_Category_X_L1000_Similarity": 0.774674, "FDA_Category_X_Structural_Similarity": -0.238735, "FDA_Category_X_Weighted_Contribution": 0.0218483, "FDA_Category_X_Top_Rank": -0.077573, "FDA_Category_D_and_X_L1000_Similarity": -0.699174, "FDA_Category_D_and_X_Structural_Similarity": 0.398935, "FDA_Category_D_and_X_Weighted_Contribution": -0.12704, "FDA_Category_D_and_X_Top_Rank": -0.0768366, "Placenta_Crossing_L1000_Similarity": -0.964868, "Placenta_Crossing_Structural_Similarity": 0.109905, "Placenta_Crossing_Weighted_Contribution": -0.457246, "Placenta_Crossing_Top_Rank": -0.0797441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)Cl)OCCCC(=O)NO", "InChI_key": "JHSXDAWGLCZYSM-UHFFFAOYSA-N" } }, "CID:56846693": { "type": "Drug", "properties": { "id": "CID:56846693", "label": "agerafenib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56846693", "FDA_Category_D_L1000_Similarity": -1.34421, "FDA_Category_D_Structural_Similarity": 0.091674, "FDA_Category_D_Weighted_Contribution": -0.685575, "FDA_Category_D_Top_Rank": -0.0827902, "FDA_Category_X_L1000_Similarity": 0.717779, "FDA_Category_X_Structural_Similarity": -0.346779, "FDA_Category_X_Weighted_Contribution": -0.110395, "FDA_Category_X_Top_Rank": -0.0788189, "FDA_Category_D_and_X_L1000_Similarity": -0.940759, "FDA_Category_D_and_X_Structural_Similarity": -0.114358, "FDA_Category_D_and_X_Weighted_Contribution": -0.652066, "FDA_Category_D_and_X_Top_Rank": -0.0886091, "Placenta_Crossing_L1000_Similarity": -0.509377, "Placenta_Crossing_Structural_Similarity": 0.23443, "Placenta_Crossing_Weighted_Contribution": -0.156013, "Placenta_Crossing_Top_Rank": -0.0769322, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F", "InChI_key": "DKNUPRMJNUQNHR-UHFFFAOYSA-N" } }, "CID:56949517": { "type": "Drug", "properties": { "id": "CID:56949517", "label": "gsk-2636771", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56949517", "FDA_Category_D_L1000_Similarity": -0.0368447, "FDA_Category_D_Structural_Similarity": -0.143237, "FDA_Category_D_Weighted_Contribution": -0.260702, "FDA_Category_D_Top_Rank": -0.0884227, "FDA_Category_X_L1000_Similarity": 0.329964, "FDA_Category_X_Structural_Similarity": -0.191363, "FDA_Category_X_Weighted_Contribution": -0.146974, "FDA_Category_X_Top_Rank": -0.0843827, "FDA_Category_D_and_X_L1000_Similarity": 0.0684434, "FDA_Category_D_and_X_Structural_Similarity": -0.216948, "FDA_Category_D_and_X_Weighted_Contribution": -0.288497, "FDA_Category_D_and_X_Top_Rank": -0.0904953, "Placenta_Crossing_L1000_Similarity": -0.553509, "Placenta_Crossing_Structural_Similarity": -0.733513, "Placenta_Crossing_Weighted_Contribution": -0.909683, "Placenta_Crossing_Top_Rank": -0.0909429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C", "InChI_key": "XTKLTGBKIDQGQL-UHFFFAOYSA-N" } }, "CID:56959": { "type": "Drug", "properties": { "id": "CID:56959", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID56959", "label": "ranolazine", "FDA_Category_D_L1000_Similarity": 0.94816, "FDA_Category_D_Structural_Similarity": -0.700059, "FDA_Category_D_Weighted_Contribution": -0.243216, "FDA_Category_D_Top_Rank": -0.0686636, "FDA_Category_X_L1000_Similarity": 2.22188, "FDA_Category_X_Structural_Similarity": 0.298242, "FDA_Category_X_Weighted_Contribution": 1.39839, "FDA_Category_X_Top_Rank": 0.0573163, "FDA_Category_D_and_X_L1000_Similarity": 1.49207, "FDA_Category_D_and_X_Structural_Similarity": -0.394716, "FDA_Category_D_and_X_Weighted_Contribution": 0.282421, "FDA_Category_D_and_X_Top_Rank": -0.0248164, "Placenta_Crossing_L1000_Similarity": 1.4472, "Placenta_Crossing_Structural_Similarity": 0.562996, "Placenta_Crossing_Weighted_Contribution": 1.18422, "Placenta_Crossing_Top_Rank": -0.0445012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O", "InChI_key": "XKLMZUWKNUAPSZ-UHFFFAOYSA-N" } }, "CID:5701990": { "type": "Drug", "properties": { "id": "CID:5701990", "label": "testosterone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5701990", "FDA_Category_D_L1000_Similarity": -0.609104, "FDA_Category_D_Structural_Similarity": 0.128785, "FDA_Category_D_Weighted_Contribution": -0.315223, "FDA_Category_D_Top_Rank": -0.0817527, "FDA_Category_X_L1000_Similarity": 0.477865, "FDA_Category_X_Structural_Similarity": 5.5326, "FDA_Category_X_Weighted_Contribution": 4.3894, "FDA_Category_X_Top_Rank": 1.40737, "FDA_Category_D_and_X_L1000_Similarity": -0.379941, "FDA_Category_D_and_X_Structural_Similarity": 3.08759, "FDA_Category_D_and_X_Weighted_Contribution": 2.72806, "FDA_Category_D_and_X_Top_Rank": 0.238733, "Placenta_Crossing_L1000_Similarity": -0.32878, "Placenta_Crossing_Structural_Similarity": 1.95842, "Placenta_Crossing_Weighted_Contribution": 1.71465, "Placenta_Crossing_Top_Rank": 0.0273067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C", "InChI_key": "PDMMFKSKQVNJMI-PPRDLICTSA-N" } }, "CID:5702031": { "type": "Drug", "properties": { "id": "CID:5702031", "label": "danazol", "lsm": "LSM-1906", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702031", "IDG_ID": "779", "FDA_Category_D_L1000_Similarity": 0.0687554, "FDA_Category_D_Structural_Similarity": 0.319779, "FDA_Category_D_Weighted_Contribution": 0.230916, "FDA_Category_D_Top_Rank": -0.0766569, "FDA_Category_X_L1000_Similarity": -1.01631, "FDA_Category_X_Structural_Similarity": 3.56168, "FDA_Category_X_Weighted_Contribution": 3.07989, "FDA_Category_X_Top_Rank": 0.373272, "FDA_Category_D_and_X_L1000_Similarity": -0.24936, "FDA_Category_D_and_X_Structural_Similarity": 2.17568, "FDA_Category_D_and_X_Weighted_Contribution": 1.95074, "FDA_Category_D_and_X_Top_Rank": 0.0586987, "Placenta_Crossing_L1000_Similarity": 1.28133, "Placenta_Crossing_Structural_Similarity": 0.477702, "Placenta_Crossing_Weighted_Contribution": 1.00124, "Placenta_Crossing_Top_Rank": -0.056897, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5", "InChI_key": "POZRVZJJTULAOH-GSQPBCFPSA-N" } }, "CID:5702041": { "type": "Drug", "properties": { "id": "CID:5702041", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702041", "label": "digitoxin", "FDA_Category_D_L1000_Similarity": -1.02291, "FDA_Category_D_Structural_Similarity": -0.207503, "FDA_Category_D_Weighted_Contribution": -0.764578, "FDA_Category_D_Top_Rank": -0.0896708, "FDA_Category_X_L1000_Similarity": -1.24725, "FDA_Category_X_Structural_Similarity": 1.2118, "FDA_Category_X_Weighted_Contribution": 0.475522, "FDA_Category_X_Top_Rank": -0.0273989, "FDA_Category_D_and_X_L1000_Similarity": -1.26053, "FDA_Category_D_and_X_Structural_Similarity": 0.489187, "FDA_Category_D_and_X_Weighted_Contribution": -0.321186, "FDA_Category_D_and_X_Top_Rank": -0.0742475, "Placenta_Crossing_L1000_Similarity": -0.736246, "Placenta_Crossing_Structural_Similarity": 2.60488, "Placenta_Crossing_Weighted_Contribution": 2.16494, "Placenta_Crossing_Top_Rank": 0.107559, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O", "InChI_key": "WDJUZGPOPHTGOT-KSVSUYAUSA-N" } }, "CID:5702124": { "type": "Drug", "properties": { "id": "CID:5702124", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702124", "label": "tranylcypromine", "FDA_Category_D_L1000_Similarity": 1.92351, "FDA_Category_D_Structural_Similarity": -0.892832, "FDA_Category_D_Weighted_Contribution": 0.106652, "FDA_Category_D_Top_Rank": 0.138144, "FDA_Category_X_L1000_Similarity": 0.714448, "FDA_Category_X_Structural_Similarity": -0.704718, "FDA_Category_X_Weighted_Contribution": -0.435168, "FDA_Category_X_Top_Rank": -0.0788728, "FDA_Category_D_and_X_L1000_Similarity": 1.87507, "FDA_Category_D_and_X_Structural_Similarity": -1.08892, "FDA_Category_D_and_X_Weighted_Contribution": -0.166816, "FDA_Category_D_and_X_Top_Rank": 0.0521416, "Placenta_Crossing_L1000_Similarity": 1.45895, "Placenta_Crossing_Structural_Similarity": -1.0534, "Placenta_Crossing_Weighted_Contribution": -0.403595, "Placenta_Crossing_Top_Rank": -0.0437416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C1N)C2=CC=CC=C2", "InChI_key": "AELCINSCMGFISI-IENPIDJESA-N" } }, "CID:5702266": { "type": "Drug", "properties": { "id": "CID:5702266", "label": "amcinonide", "lsm": "LSM-1487", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702266", "FDA_Category_D_L1000_Similarity": 1.29429, "FDA_Category_D_Structural_Similarity": -0.291996, "FDA_Category_D_Weighted_Contribution": 0.337392, "FDA_Category_D_Top_Rank": -0.0378775, "FDA_Category_X_L1000_Similarity": -0.0541292, "FDA_Category_X_Structural_Similarity": 1.19873, "FDA_Category_X_Weighted_Contribution": 1.12636, "FDA_Category_X_Top_Rank": -0.0285734, "FDA_Category_D_and_X_L1000_Similarity": 1.09925, "FDA_Category_D_and_X_Structural_Similarity": 0.415066, "FDA_Category_D_and_X_Weighted_Contribution": 0.889884, "FDA_Category_D_and_X_Top_Rank": -0.0627495, "Placenta_Crossing_L1000_Similarity": 0.94496, "Placenta_Crossing_Structural_Similarity": -0.290191, "Placenta_Crossing_Weighted_Contribution": 0.0397795, "Placenta_Crossing_Top_Rank": -0.0723683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6", "InChI_key": "ILKJAFIWWBXGDU-ZYDCGBIBSA-N" } }, "CID:5720188": { "type": "Drug", "properties": { "id": "CID:5720188", "label": "bh3i-1", "lsm": "LSM-1513", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5720188", "FDA_Category_D_L1000_Similarity": 1.3944, "FDA_Category_D_Structural_Similarity": 1.25393, "FDA_Category_D_Weighted_Contribution": 2.05378, "FDA_Category_D_Top_Rank": -0.0252162, "FDA_Category_X_L1000_Similarity": -0.719673, "FDA_Category_X_Structural_Similarity": -0.452519, "FDA_Category_X_Weighted_Contribution": -0.800955, "FDA_Category_X_Top_Rank": -0.0891034, "FDA_Category_D_and_X_L1000_Similarity": 0.983442, "FDA_Category_D_and_X_Structural_Similarity": 0.751087, "FDA_Category_D_and_X_Weighted_Contribution": 1.17948, "FDA_Category_D_and_X_Top_Rank": -0.0654656, "Placenta_Crossing_L1000_Similarity": 1.55558, "Placenta_Crossing_Structural_Similarity": 1.55061, "Placenta_Crossing_Weighted_Contribution": 2.27075, "Placenta_Crossing_Top_Rank": -0.0160346, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)Br)SC1=S", "InChI_key": "COHIEJLWRGREHV-XFFZJAGNSA-N" } }, "CID:57345770": { "type": "Drug", "properties": { "id": "CID:57345770", "label": "KI-20227", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57345770", "FDA_Category_D_L1000_Similarity": 1.23689, "FDA_Category_D_Structural_Similarity": 1.54393, "FDA_Category_D_Weighted_Contribution": 2.25305, "FDA_Category_D_Top_Rank": -0.011983, "FDA_Category_X_L1000_Similarity": 1.10153, "FDA_Category_X_Structural_Similarity": -0.47424, "FDA_Category_X_Weighted_Contribution": -0.0484283, "FDA_Category_X_Top_Rank": -0.0680044, "FDA_Category_D_and_X_L1000_Similarity": 1.40074, "FDA_Category_D_and_X_Structural_Similarity": 0.969537, "FDA_Category_D_and_X_Weighted_Contribution": 1.66075, "FDA_Category_D_and_X_Top_Rank": -0.0366635, "Placenta_Crossing_L1000_Similarity": 1.53602, "Placenta_Crossing_Structural_Similarity": 1.86651, "Placenta_Crossing_Weighted_Contribution": 2.55559, "Placenta_Crossing_Top_Rank": 0.0173742, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5754137": { "type": "Drug", "properties": { "id": "CID:5754137", "label": "BAM-7", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5754137", "FDA_Category_D_L1000_Similarity": 0.247627, "FDA_Category_D_Structural_Similarity": -0.859891, "FDA_Category_D_Weighted_Contribution": -0.699635, "FDA_Category_D_Top_Rank": -0.0895498, "FDA_Category_X_L1000_Similarity": 0.947346, "FDA_Category_X_Structural_Similarity": 1.73672, "FDA_Category_X_Weighted_Contribution": 2.28343, "FDA_Category_X_Top_Rank": 0.00871568, "FDA_Category_D_and_X_L1000_Similarity": 0.50115, "FDA_Category_D_and_X_Structural_Similarity": 0.254621, "FDA_Category_D_and_X_Weighted_Contribution": 0.375825, "FDA_Category_D_and_X_Top_Rank": -0.0804907, "Placenta_Crossing_L1000_Similarity": 0.795987, "Placenta_Crossing_Structural_Similarity": -0.857311, "Placenta_Crossing_Weighted_Contribution": -0.515641, "Placenta_Crossing_Top_Rank": -0.0764746, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5756": { "type": "Drug", "properties": { "id": "CID:5756", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5756", "label": "estriol", "FDA_Category_D_L1000_Similarity": 0.481796, "FDA_Category_D_Structural_Similarity": 0.511397, "FDA_Category_D_Weighted_Contribution": 0.67877, "FDA_Category_D_Top_Rank": -0.0705785, "FDA_Category_X_L1000_Similarity": 1.87408, "FDA_Category_X_Structural_Similarity": 2.63634, "FDA_Category_X_Weighted_Contribution": 3.47415, "FDA_Category_X_Top_Rank": 0.132642, "FDA_Category_D_and_X_L1000_Similarity": 0.984429, "FDA_Category_D_and_X_Structural_Similarity": 1.82846, "FDA_Category_D_and_X_Weighted_Contribution": 2.28855, "FDA_Category_D_and_X_Top_Rank": 0.0175837, "Placenta_Crossing_L1000_Similarity": 2.13281, "Placenta_Crossing_Structural_Similarity": 1.37615, "Placenta_Crossing_Weighted_Contribution": 2.38349, "Placenta_Crossing_Top_Rank": 0.0858499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O", "InChI_key": "PROQIPRRNZUXQM-ZXXIGWHRSA-N" } }, "CID:5757": { "type": "Drug", "properties": { "id": "CID:5757", "label": "estradiol", "lsm": "LSM-1367", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5757", "IDG_ID": "1057", "FDA_Category_D_L1000_Similarity": 1.34127, "FDA_Category_D_Structural_Similarity": 1.41778, "FDA_Category_D_Weighted_Contribution": 2.18835, "FDA_Category_D_Top_Rank": -0.0252162, "FDA_Category_X_L1000_Similarity": 1.29106, "FDA_Category_X_Structural_Similarity": 3.75937, "FDA_Category_X_Weighted_Contribution": 3.94568, "FDA_Category_X_Top_Rank": 0.449431, "FDA_Category_D_and_X_L1000_Similarity": 1.54826, "FDA_Category_D_and_X_Structural_Similarity": 3.15385, "FDA_Category_D_and_X_Weighted_Contribution": 3.49992, "FDA_Category_D_and_X_Top_Rank": 0.258078, "Placenta_Crossing_L1000_Similarity": 2.0684, "Placenta_Crossing_Structural_Similarity": 1.60285, "Placenta_Crossing_Weighted_Contribution": 2.56134, "Placenta_Crossing_Top_Rank": 0.063309, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O", "InChI_key": "VOXZDWNPVJITMN-ZBRFXRBCSA-N" } }, "CID:5765514": { "type": "Drug", "properties": { "id": "CID:5765514", "label": "mw-stk33-1c", "lsm": "LSM-4613", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5765514", "FDA_Category_D_L1000_Similarity": 0.483486, "FDA_Category_D_Structural_Similarity": -0.74317, "FDA_Category_D_Weighted_Contribution": -0.506647, "FDA_Category_D_Top_Rank": -0.0855923, "FDA_Category_X_L1000_Similarity": 0.46483, "FDA_Category_X_Structural_Similarity": -0.613321, "FDA_Category_X_Weighted_Contribution": -0.463602, "FDA_Category_X_Top_Rank": -0.0829579, "FDA_Category_D_and_X_L1000_Similarity": 0.557926, "FDA_Category_D_and_X_Structural_Similarity": -0.92081, "FDA_Category_D_and_X_Weighted_Contribution": -0.6276, "FDA_Category_D_and_X_Top_Rank": -0.0845568, "Placenta_Crossing_L1000_Similarity": 0.725061, "Placenta_Crossing_Structural_Similarity": -0.981807, "Placenta_Crossing_Weighted_Contribution": -0.637252, "Placenta_Crossing_Top_Rank": -0.0782787, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2", "InChI_key": "VFLCEEKFNGVMNQ-YBEGLDIGSA-N" } }, "CID:5816": { "type": "Drug", "properties": { "id": "CID:5816", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5816", "label": "epinephrine", "FDA_Category_D_L1000_Similarity": 1.28325, "FDA_Category_D_Structural_Similarity": -0.758623, "FDA_Category_D_Weighted_Contribution": -0.119961, "FDA_Category_D_Top_Rank": -0.0391854, "FDA_Category_X_L1000_Similarity": 1.05329, "FDA_Category_X_Structural_Similarity": -0.306537, "FDA_Category_X_Weighted_Contribution": 0.0930506, "FDA_Category_X_Top_Rank": -0.0697363, "FDA_Category_D_and_X_L1000_Similarity": 1.42605, "FDA_Category_D_and_X_Structural_Similarity": -0.767535, "FDA_Category_D_and_X_Weighted_Contribution": -0.104765, "FDA_Category_D_and_X_Top_Rank": -0.0336134, "Placenta_Crossing_L1000_Similarity": 1.47941, "Placenta_Crossing_Structural_Similarity": 2.62564, "Placenta_Crossing_Weighted_Contribution": 3.13896, "Placenta_Crossing_Top_Rank": 0.110739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCC(C1=CC(=C(C=C1)O)O)O", "InChI_key": "UCTWMZQNUQWSLP-VIFPVBQESA-N" } }, "CID:5819": { "type": "Drug", "properties": { "id": "CID:5819", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5819", "label": "levothyroxine", "ref": "LSM-5447", "FDA_Category_D_L1000_Similarity": 2.17099, "FDA_Category_D_Structural_Similarity": -0.0317335, "FDA_Category_D_Weighted_Contribution": 1.1621, "FDA_Category_D_Top_Rank": 0.352612, "FDA_Category_X_L1000_Similarity": 2.17894, "FDA_Category_X_Structural_Similarity": 0.00402106, "FDA_Category_X_Weighted_Contribution": 1.0385, "FDA_Category_X_Top_Rank": 0.0465504, "FDA_Category_D_and_X_L1000_Similarity": 2.53313, "FDA_Category_D_and_X_Structural_Similarity": -0.0230176, "FDA_Category_D_and_X_Weighted_Contribution": 1.28081, "FDA_Category_D_and_X_Top_Rank": 0.549438, "Placenta_Crossing_L1000_Similarity": 2.55484, "Placenta_Crossing_Structural_Similarity": -0.169641, "Placenta_Crossing_Weighted_Contribution": 0.999861, "Placenta_Crossing_Top_Rank": 0.338349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N", "InChI_key": "XUIIKFGFIJCVMT-LBPRGKRZSA-N" } }, "CID:5893": { "type": "Drug", "properties": { "id": "CID:5893", "label": "nadide", "lsm": "LSM-4965", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5893", "FDA_Category_D_L1000_Similarity": 0.0271743, "FDA_Category_X_L1000_Similarity": -0.584231, "FDA_Category_D_and_X_L1000_Similarity": -0.15399, "Placenta_Crossing_L1000_Similarity": 0.207623, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5901": { "type": "Drug", "properties": { "id": "CID:5901", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5901", "label": "azauridine", "FDA_Category_D_L1000_Similarity": 0.473207, "FDA_Category_D_Structural_Similarity": -0.0442742, "FDA_Category_D_Weighted_Contribution": 0.105955, "FDA_Category_D_Top_Rank": -0.0857831, "FDA_Category_X_L1000_Similarity": -1.69559, "FDA_Category_X_Structural_Similarity": 0.189701, "FDA_Category_X_Weighted_Contribution": -0.687009, "FDA_Category_X_Top_Rank": -0.073649, "FDA_Category_D_and_X_L1000_Similarity": -0.106997, "FDA_Category_D_and_X_Structural_Similarity": 0.0672207, "FDA_Category_D_and_X_Weighted_Contribution": -0.126825, "FDA_Category_D_and_X_Top_Rank": -0.0849129, "Placenta_Crossing_L1000_Similarity": -0.76095, "Placenta_Crossing_Structural_Similarity": -0.804137, "Placenta_Crossing_Weighted_Contribution": -1.0156, "Placenta_Crossing_Top_Rank": -0.091444, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O", "InChI_key": "WYXSYVWAUAUWLD-SHUUEZRQSA-N" } }, "CID:5904": { "type": "Drug", "properties": { "id": "CID:5904", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5904", "label": "benzylpenicillin", "FDA_Category_D_L1000_Similarity": 1.81616, "FDA_Category_X_L1000_Similarity": 2.56756, "FDA_Category_D_and_X_L1000_Similarity": 2.34528, "Placenta_Crossing_L1000_Similarity": 1.54458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C", "InChI_key": "JGSARLDLIJGVTE-MBNYWOFBSA-N" } }, "CID:5910": { "type": "Drug", "properties": { "id": "CID:5910", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5910", "label": "pilocarpine", "FDA_Category_D_L1000_Similarity": 1.11417, "FDA_Category_D_Structural_Similarity": -0.837112, "FDA_Category_D_Weighted_Contribution": -0.277977, "FDA_Category_D_Top_Rank": -0.0570822, "FDA_Category_X_L1000_Similarity": -0.337241, "FDA_Category_X_Structural_Similarity": -0.707739, "FDA_Category_X_Weighted_Contribution": -0.846216, "FDA_Category_X_Top_Rank": -0.0894163, "FDA_Category_D_and_X_L1000_Similarity": 0.858021, "FDA_Category_D_and_X_Structural_Similarity": -1.04632, "FDA_Category_D_and_X_Weighted_Contribution": -0.596107, "FDA_Category_D_and_X_Top_Rank": -0.075714, "Placenta_Crossing_L1000_Similarity": 1.82083, "Placenta_Crossing_Structural_Similarity": -0.529291, "Placenta_Crossing_Weighted_Contribution": 0.237889, "Placenta_Crossing_Top_Rank": 0.0036471, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(COC1=O)CC2=CN=CN2C", "InChI_key": "QCHFTSOMWOSFHM-WPRPVWTQSA-N" } }, "CID:60063": { "type": "Drug", "properties": { "id": "CID:60063", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60063", "label": "clinafloxacin", "FDA_Category_D_L1000_Similarity": 0.977008, "FDA_Category_D_Structural_Similarity": 0.715457, "FDA_Category_D_Weighted_Contribution": 1.21467, "FDA_Category_D_Top_Rank": -0.0636652, "FDA_Category_X_L1000_Similarity": -0.155855, "FDA_Category_X_Structural_Similarity": -0.556645, "FDA_Category_X_Weighted_Contribution": -0.668502, "FDA_Category_X_Top_Rank": -0.0885398, "FDA_Category_D_and_X_L1000_Similarity": 0.79486, "FDA_Category_D_and_X_Structural_Similarity": 0.267504, "FDA_Category_D_and_X_Weighted_Contribution": 0.556412, "FDA_Category_D_and_X_Top_Rank": -0.0779695, "Placenta_Crossing_L1000_Similarity": 0.578178, "Placenta_Crossing_Structural_Similarity": -0.623951, "Placenta_Crossing_Weighted_Contribution": -0.417768, "Placenta_Crossing_Top_Rank": -0.0814995, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O", "InChI_key": "QGPKADBNRMWEQR-UHFFFAOYSA-N" } }, "CID:60185177": { "type": "Drug", "properties": { "id": "CID:60185177", "label": "SA-1925246", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60185177", "FDA_Category_D_L1000_Similarity": 0.381682, "FDA_Category_D_Structural_Similarity": -0.69973, "FDA_Category_D_Weighted_Contribution": -0.519434, "FDA_Category_D_Top_Rank": -0.0874976, "FDA_Category_X_L1000_Similarity": -0.123269, "FDA_Category_X_Structural_Similarity": 1.13558, "FDA_Category_X_Weighted_Contribution": 1.01526, "FDA_Category_X_Top_Rank": -0.0340557, "FDA_Category_D_and_X_L1000_Similarity": 0.291581, "FDA_Category_D_and_X_Structural_Similarity": 0.0573713, "FDA_Category_D_and_X_Weighted_Contribution": 0.069261, "FDA_Category_D_and_X_Top_Rank": -0.0851446, "Placenta_Crossing_L1000_Similarity": 0.622775, "Placenta_Crossing_Structural_Similarity": -1.04196, "Placenta_Crossing_Weighted_Contribution": -0.717946, "Placenta_Crossing_Top_Rank": -0.0805318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60187506": { "type": "Drug", "properties": { "id": "CID:60187506", "label": "SA-1937516", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60187506", "FDA_Category_D_L1000_Similarity": -0.0206146, "FDA_Category_D_Structural_Similarity": -0.533216, "FDA_Category_D_Weighted_Contribution": -0.573216, "FDA_Category_D_Top_Rank": -0.0923559, "FDA_Category_X_L1000_Similarity": 0.58432, "FDA_Category_X_Structural_Similarity": -0.506211, "FDA_Category_X_Weighted_Contribution": -0.318845, "FDA_Category_X_Top_Rank": -0.0812353, "FDA_Category_D_and_X_L1000_Similarity": 0.15968, "FDA_Category_D_and_X_Structural_Similarity": -0.69637, "FDA_Category_D_and_X_Weighted_Contribution": -0.626725, "FDA_Category_D_and_X_Top_Rank": -0.0907003, "Placenta_Crossing_L1000_Similarity": 0.625322, "Placenta_Crossing_Structural_Similarity": -0.94063, "Placenta_Crossing_Weighted_Contribution": -0.644171, "Placenta_Crossing_Top_Rank": -0.080479, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60189692": { "type": "Drug", "properties": { "id": "CID:60189692", "label": "SA-1938740", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60189692", "FDA_Category_D_L1000_Similarity": 1.6927, "FDA_Category_X_L1000_Similarity": 1.07037, "FDA_Category_D_and_X_L1000_Similarity": 1.78418, "Placenta_Crossing_L1000_Similarity": 1.43679, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60192328": { "type": "Drug", "properties": { "id": "CID:60192328", "label": "SA-1938756", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60192328", "FDA_Category_D_L1000_Similarity": 0.146892, "FDA_Category_D_Structural_Similarity": -0.28072, "FDA_Category_D_Weighted_Contribution": -0.286666, "FDA_Category_D_Top_Rank": -0.0907877, "FDA_Category_X_L1000_Similarity": 0.626174, "FDA_Category_X_Structural_Similarity": -0.207814, "FDA_Category_X_Weighted_Contribution": -0.0206867, "FDA_Category_X_Top_Rank": -0.0806198, "FDA_Category_D_and_X_L1000_Similarity": 0.31678, "FDA_Category_D_and_X_Structural_Similarity": -0.334947, "FDA_Category_D_and_X_Weighted_Contribution": -0.270484, "FDA_Category_D_and_X_Top_Rank": -0.0887028, "Placenta_Crossing_L1000_Similarity": -0.0130016, "Placenta_Crossing_Structural_Similarity": -0.568872, "Placenta_Crossing_Weighted_Contribution": -0.608716, "Placenta_Crossing_Top_Rank": -0.0884522, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6032": { "type": "Drug", "properties": { "id": "CID:6032", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6032", "label": "kanamycin", "FDA_Category_D_L1000_Similarity": -0.321134, "FDA_Category_D_Structural_Similarity": 1.82691, "FDA_Category_D_Weighted_Contribution": 1.59772, "FDA_Category_D_Top_Rank": 0.0222475, "FDA_Category_X_L1000_Similarity": 0.177044, "FDA_Category_X_Structural_Similarity": 0.175624, "FDA_Category_X_Weighted_Contribution": 0.137066, "FDA_Category_X_Top_Rank": -0.0741196, "FDA_Category_D_and_X_L1000_Similarity": -0.223054, "FDA_Category_D_and_X_Structural_Similarity": 1.54481, "FDA_Category_D_and_X_Weighted_Contribution": 1.30522, "FDA_Category_D_and_X_Top_Rank": -0.0107306, "Placenta_Crossing_L1000_Similarity": -0.0086859, "Placenta_Crossing_Structural_Similarity": 2.15045, "Placenta_Crossing_Weighted_Contribution": 2.08002, "Placenta_Crossing_Top_Rank": 0.0480192, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N", "InChI_key": "SBUJHOSQTJFQJX-NOAMYHISSA-N" } }, "CID:60648": { "type": "Drug", "properties": { "id": "CID:60648", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60648", "label": "tiagabine", "ref": "LSM-5700", "FDA_Category_D_L1000_Similarity": -0.078193, "FDA_Category_D_Structural_Similarity": -0.109608, "FDA_Category_D_Weighted_Contribution": -0.252475, "FDA_Category_D_Top_Rank": -0.0877365, "FDA_Category_X_L1000_Similarity": -0.473069, "FDA_Category_X_Structural_Similarity": 0.125408, "FDA_Category_X_Weighted_Contribution": -0.226103, "FDA_Category_X_Top_Rank": -0.0762497, "FDA_Category_D_and_X_L1000_Similarity": -0.211067, "FDA_Category_D_and_X_Structural_Similarity": -0.0193278, "FDA_Category_D_and_X_Weighted_Contribution": -0.253628, "FDA_Category_D_and_X_Top_Rank": -0.0867217, "Placenta_Crossing_L1000_Similarity": 0.131941, "Placenta_Crossing_Structural_Similarity": -0.121892, "Placenta_Crossing_Weighted_Contribution": -0.183551, "Placenta_Crossing_Top_Rank": -0.0846489, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C", "InChI_key": "PBJUNZJWGZTSKL-MRXNPFEDSA-N" } }, "CID:60854": { "type": "Drug", "properties": { "id": "CID:60854", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60854", "label": "ziprasidone", "FDA_Category_D_L1000_Similarity": 1.70649, "FDA_Category_D_Structural_Similarity": -0.335873, "FDA_Category_D_Weighted_Contribution": 0.541287, "FDA_Category_D_Top_Rank": 0.0437319, "FDA_Category_X_L1000_Similarity": 0.853735, "FDA_Category_X_Structural_Similarity": 0.989938, "FDA_Category_X_Weighted_Contribution": 1.40645, "FDA_Category_X_Top_Rank": -0.0414525, "FDA_Category_D_and_X_L1000_Similarity": 1.73029, "FDA_Category_D_and_X_Structural_Similarity": 0.26758, "FDA_Category_D_and_X_Weighted_Contribution": 1.11002, "FDA_Category_D_and_X_Top_Rank": 0.017079, "Placenta_Crossing_L1000_Similarity": 1.48523, "Placenta_Crossing_Structural_Similarity": 0.0579972, "Placenta_Crossing_Weighted_Contribution": 0.663989, "Placenta_Crossing_Top_Rank": -0.0412683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54", "InChI_key": "MVWVFYHBGMAFLY-UHFFFAOYSA-N" } }, "CID:60860": { "type": "Drug", "properties": { "id": "CID:60860", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60860", "label": "iobenguane", "FDA_Category_D_L1000_Similarity": 1.22516, "FDA_Category_D_Structural_Similarity": -0.737394, "FDA_Category_D_Weighted_Contribution": -0.131613, "FDA_Category_D_Top_Rank": -0.0460504, "FDA_Category_X_L1000_Similarity": 0.4966, "FDA_Category_X_Structural_Similarity": 0.470216, "FDA_Category_X_Weighted_Contribution": 0.618055, "FDA_Category_X_Top_Rank": -0.0633117, "FDA_Category_D_and_X_L1000_Similarity": 1.20692, "FDA_Category_D_and_X_Structural_Similarity": -0.331552, "FDA_Category_D_and_X_Weighted_Contribution": 0.187906, "FDA_Category_D_and_X_Top_Rank": -0.0542179, "Placenta_Crossing_L1000_Similarity": 1.3782, "Placenta_Crossing_Structural_Similarity": 0.342518, "Placenta_Crossing_Weighted_Contribution": 0.908747, "Placenta_Crossing_Top_Rank": -0.0502374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)I)CN=C(N)N", "InChI_key": "PDWUPXJEEYOOTR-UHFFFAOYSA-N" } }, "CID:609483": { "type": "Drug", "properties": { "id": "CID:609483", "label": "arc-239", "lsm": "LSM-4094", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/609483", "FDA_Category_D_L1000_Similarity": -0.617371, "FDA_Category_D_Structural_Similarity": -0.576718, "FDA_Category_D_Weighted_Contribution": -0.853862, "FDA_Category_D_Top_Rank": -0.094825, "FDA_Category_X_L1000_Similarity": -0.699808, "FDA_Category_X_Structural_Similarity": -0.689887, "FDA_Category_X_Weighted_Contribution": -0.956811, "FDA_Category_X_Top_Rank": -0.0906469, "FDA_Category_D_and_X_L1000_Similarity": -0.744702, "FDA_Category_D_and_X_Structural_Similarity": -0.830009, "FDA_Category_D_and_X_Weighted_Contribution": -1.03981, "FDA_Category_D_and_X_Top_Rank": -0.0957887, "Placenta_Crossing_L1000_Similarity": -1.00859, "Placenta_Crossing_Structural_Similarity": -0.999571, "Placenta_Crossing_Weighted_Contribution": -1.18827, "Placenta_Crossing_Top_Rank": -0.0918265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC=CC=C4OC)C", "InChI_key": "JFNKXGOEOQCXDM-UHFFFAOYSA-N" } }, "CID:6215": { "type": "Drug", "properties": { "id": "CID:6215", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6215", "label": "fluocinolone acetonide", "FDA_Category_D_L1000_Similarity": 0.734954, "FDA_Category_D_Structural_Similarity": 0.170781, "FDA_Category_D_Weighted_Contribution": 0.476329, "FDA_Category_D_Top_Rank": -0.0784226, "FDA_Category_X_L1000_Similarity": 1.18187, "FDA_Category_X_Structural_Similarity": 1.02698, "FDA_Category_X_Weighted_Contribution": 1.63506, "FDA_Category_X_Top_Rank": -0.0396277, "FDA_Category_D_and_X_L1000_Similarity": 0.992458, "FDA_Category_D_and_X_Structural_Similarity": 0.689704, "FDA_Category_D_and_X_Weighted_Contribution": 1.11914, "FDA_Category_D_and_X_Top_Rank": -0.0674679, "Placenta_Crossing_L1000_Similarity": 1.47426, "Placenta_Crossing_Structural_Similarity": -0.0125574, "Placenta_Crossing_Weighted_Contribution": 0.584283, "Placenta_Crossing_Top_Rank": -0.0425611, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C", "InChI_key": "FEBLZLNTKCEFIT-VSXGLTOVSA-N" } }, "CID:6249": { "type": "Drug", "properties": { "id": "CID:6249", "label": "ampicillin", "lsm": "LSM-5761", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6249", "drugcentral_id": "198", "FDA_Category_D_L1000_Similarity": 0.491401, "FDA_Category_D_Structural_Similarity": 1.10317, "FDA_Category_D_Weighted_Contribution": 1.3278, "FDA_Category_D_Top_Rank": -0.0454194, "FDA_Category_X_L1000_Similarity": 1.37723, "FDA_Category_X_Structural_Similarity": 2.84319, "FDA_Category_X_Weighted_Contribution": 3.44545, "FDA_Category_X_Top_Rank": 0.17436, "FDA_Category_D_and_X_L1000_Similarity": 0.841837, "FDA_Category_D_and_X_Structural_Similarity": 2.40977, "FDA_Category_D_and_X_Weighted_Contribution": 2.73391, "FDA_Category_D_and_X_Top_Rank": 0.0896359, "Placenta_Crossing_L1000_Similarity": 1.71638, "Placenta_Crossing_Structural_Similarity": 6.26881, "Placenta_Crossing_Weighted_Contribution": 4.3256, "Placenta_Crossing_Top_Rank": 2.36293, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C", "InChI_key": "AVKUERGKIZMTKX-NJBDSQKTSA-N" } }, "CID:637568": { "type": "Drug", "properties": { "id": "CID:637568", "label": "dimethyl fumarate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/637568", "FDA_Category_D_L1000_Similarity": -0.202972, "FDA_Category_D_Structural_Similarity": -0.0905406, "FDA_Category_D_Weighted_Contribution": -0.299344, "FDA_Category_D_Top_Rank": -0.0873255, "FDA_Category_X_L1000_Similarity": 1.66484, "FDA_Category_X_Structural_Similarity": -0.238964, "FDA_Category_X_Weighted_Contribution": 0.48248, "FDA_Category_X_Top_Rank": -0.0337528, "FDA_Category_D_and_X_L1000_Similarity": 0.330617, "FDA_Category_D_and_X_Structural_Similarity": -0.200807, "FDA_Category_D_and_X_Weighted_Contribution": -0.147049, "FDA_Category_D_and_X_Top_Rank": -0.0885288, "Placenta_Crossing_L1000_Similarity": 1.51298, "Placenta_Crossing_Structural_Similarity": -0.604514, "Placenta_Crossing_Weighted_Contribution": 0.0151793, "Placenta_Crossing_Top_Rank": -0.0384943, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C=CC(=O)OC", "InChI_key": "LDCRTTXIJACKKU-ONEGZZNKSA-N" } }, "CID:6419931": { "type": "Drug", "properties": { "id": "CID:6419931", "label": "methyl-hydantoin", "lsm": "LSM-5665", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6419931", "FDA_Category_D_L1000_Similarity": 0.207204, "FDA_Category_X_L1000_Similarity": -1.0306, "FDA_Category_D_and_X_L1000_Similarity": -0.134354, "Placenta_Crossing_L1000_Similarity": 0.0301818, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:643951": { "type": "Drug", "properties": { "id": "CID:643951", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID643951", "label": "necrostatin-1", "FDA_Category_D_L1000_Similarity": 0.902173, "FDA_Category_D_Structural_Similarity": -0.944218, "FDA_Category_D_Weighted_Contribution": -0.471393, "FDA_Category_D_Top_Rank": -0.0713883, "FDA_Category_X_L1000_Similarity": 0.785721, "FDA_Category_X_Structural_Similarity": -0.726448, "FDA_Category_X_Weighted_Contribution": -0.423251, "FDA_Category_X_Top_Rank": -0.0772536, "FDA_Category_D_and_X_L1000_Similarity": 1.0163, "FDA_Category_D_and_X_Structural_Similarity": -1.14143, "FDA_Category_D_and_X_Weighted_Contribution": -0.600844, "FDA_Category_D_and_X_Top_Rank": -0.0680745, "Placenta_Crossing_L1000_Similarity": 1.35964, "Placenta_Crossing_Structural_Similarity": -1.09373, "Placenta_Crossing_Weighted_Contribution": -0.476676, "Placenta_Crossing_Top_Rank": -0.0518074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=O)C(N=C1S)CC2=CNC3=CC=CC=C32", "InChI_key": "TXUWMXQFNYDOEZ-UHFFFAOYSA-N" } }, "CID:6444692": { "type": "Drug", "properties": { "id": "CID:6444692", "label": "mubritinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6444692", "FDA_Category_D_L1000_Similarity": -1.43021, "FDA_Category_D_Structural_Similarity": -0.159775, "FDA_Category_D_Weighted_Contribution": -0.892318, "FDA_Category_D_Top_Rank": -0.0887108, "FDA_Category_X_L1000_Similarity": -1.04045, "FDA_Category_X_Structural_Similarity": 0.22309, "FDA_Category_X_Weighted_Contribution": -0.392459, "FDA_Category_X_Top_Rank": -0.0724471, "FDA_Category_D_and_X_L1000_Similarity": -1.54882, "FDA_Category_D_and_X_Structural_Similarity": -0.0064375, "FDA_Category_D_and_X_Weighted_Contribution": -0.812884, "FDA_Category_D_and_X_Top_Rank": -0.0864864, "Placenta_Crossing_L1000_Similarity": -0.866057, "Placenta_Crossing_Structural_Similarity": -0.0617493, "Placenta_Crossing_Weighted_Contribution": -0.552455, "Placenta_Crossing_Top_Rank": -0.083491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F", "InChI_key": "ZTFBIUXIQYRUNT-MDWZMJQESA-N" } }, "CID:6449767": { "type": "Drug", "properties": { "id": "CID:6449767", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6449767", "label": "arvanil", "FDA_Category_D_L1000_Similarity": -1.45204, "FDA_Category_D_Structural_Similarity": -0.327166, "FDA_Category_D_Weighted_Contribution": -1.00379, "FDA_Category_D_Top_Rank": -0.0918277, "FDA_Category_X_L1000_Similarity": -0.580137, "FDA_Category_X_Structural_Similarity": 0.6313, "FDA_Category_X_Weighted_Contribution": 0.215468, "FDA_Category_X_Top_Rank": -0.0564667, "FDA_Category_D_and_X_L1000_Similarity": -1.42787, "FDA_Category_D_and_X_Structural_Similarity": 0.0809708, "FDA_Category_D_and_X_Weighted_Contribution": -0.707378, "FDA_Category_D_and_X_Top_Rank": -0.0845389, "Placenta_Crossing_L1000_Similarity": -1.04864, "Placenta_Crossing_Structural_Similarity": 0.407184, "Placenta_Crossing_Weighted_Contribution": -0.244754, "Placenta_Crossing_Top_Rank": -0.0722809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC", "InChI_key": "QVLMCRFQGHWOPM-ZKWNWVNESA-N" } }, "CID:6466": { "type": "Drug", "properties": { "id": "CID:6466", "label": "gibberellic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6466", "FDA_Category_D_L1000_Similarity": 0.592428, "FDA_Category_D_Structural_Similarity": -0.696527, "FDA_Category_D_Weighted_Contribution": -0.417413, "FDA_Category_D_Top_Rank": -0.0828405, "FDA_Category_X_L1000_Similarity": -0.0200904, "FDA_Category_X_Structural_Similarity": 0.514387, "FDA_Category_X_Weighted_Contribution": 0.386366, "FDA_Category_X_Top_Rank": -0.0615175, "FDA_Category_D_and_X_L1000_Similarity": 0.504579, "FDA_Category_D_and_X_Structural_Similarity": -0.275282, "FDA_Category_D_and_X_Weighted_Contribution": -0.126532, "FDA_Category_D_and_X_Top_Rank": -0.0855321, "Placenta_Crossing_L1000_Similarity": 1.26586, "Placenta_Crossing_Structural_Similarity": 1.13475, "Placenta_Crossing_Weighted_Contribution": 1.69914, "Placenta_Crossing_Top_Rank": -0.0436313, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O", "InChI_key": "IXORZMNAPKEEDV-OBDJNFEBSA-N" } }, "CID:64971": { "type": "Drug", "properties": { "id": "CID:64971", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID64971", "label": "betulinic acid", "FDA_Category_D_L1000_Similarity": 1.33371, "FDA_Category_D_Structural_Similarity": 1.03314, "FDA_Category_D_Weighted_Contribution": 1.78574, "FDA_Category_D_Top_Rank": -0.0339465, "FDA_Category_X_L1000_Similarity": 0.389237, "FDA_Category_X_Structural_Similarity": 0.513254, "FDA_Category_X_Weighted_Contribution": 0.606333, "FDA_Category_X_Top_Rank": -0.0616396, "FDA_Category_D_and_X_L1000_Similarity": 1.26789, "FDA_Category_D_and_X_Structural_Similarity": 1.09697, "FDA_Category_D_and_X_Weighted_Contribution": 1.71613, "FDA_Category_D_and_X_Top_Rank": -0.0465845, "Placenta_Crossing_L1000_Similarity": 2.28148, "Placenta_Crossing_Structural_Similarity": -0.433202, "Placenta_Crossing_Weighted_Contribution": 0.572687, "Placenta_Crossing_Top_Rank": 0.1478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O", "InChI_key": "QGJZLNKBHJESQX-FZFNOLFKSA-N" } }, "CID:65016": { "type": "Drug", "properties": { "id": "CID:65016", "label": "amprenavir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65016", "IDG_ID": "200", "FDA_Category_D_L1000_Similarity": -0.0860663, "FDA_Category_D_Structural_Similarity": -0.515383, "FDA_Category_D_Weighted_Contribution": -0.58892, "FDA_Category_D_Top_Rank": -0.0929048, "FDA_Category_X_L1000_Similarity": 0.208605, "FDA_Category_X_Structural_Similarity": 0.498899, "FDA_Category_X_Weighted_Contribution": 0.49236, "FDA_Category_X_Top_Rank": -0.0620726, "FDA_Category_D_and_X_L1000_Similarity": -0.0108454, "FDA_Category_D_and_X_Structural_Similarity": -0.139863, "FDA_Category_D_and_X_Weighted_Contribution": -0.26073, "FDA_Category_D_and_X_Top_Rank": -0.0891167, "Placenta_Crossing_L1000_Similarity": 0.500937, "Placenta_Crossing_Structural_Similarity": 0.468545, "Placenta_Crossing_Weighted_Contribution": 0.571088, "Placenta_Crossing_Top_Rank": -0.0704148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N", "InChI_key": "YMARZQAQMVYCKC-OEMFJLHTSA-N" } }, "CID:65492": { "type": "Drug", "properties": { "id": "CID:65492", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65492", "label": "iopamidol", "ref": "LSM-5833", "FDA_Category_D_L1000_Similarity": 0.122979, "FDA_Category_D_Structural_Similarity": -0.531839, "FDA_Category_D_Weighted_Contribution": -0.506469, "FDA_Category_D_Top_Rank": -0.0910424, "FDA_Category_X_L1000_Similarity": -2.22519, "FDA_Category_X_Structural_Similarity": -0.431409, "FDA_Category_X_Weighted_Contribution": -1.25126, "FDA_Category_X_Top_Rank": -0.0887292, "FDA_Category_D_and_X_L1000_Similarity": -0.569731, "FDA_Category_D_and_X_Structural_Similarity": -0.654914, "FDA_Category_D_and_X_Weighted_Contribution": -0.877157, "FDA_Category_D_and_X_Top_Rank": -0.0951721, "Placenta_Crossing_L1000_Similarity": 0.111276, "Placenta_Crossing_Structural_Similarity": -0.543905, "Placenta_Crossing_Weighted_Contribution": -0.541961, "Placenta_Crossing_Top_Rank": -0.0874388, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O", "InChI_key": "XQZXYNRDCRIARQ-LURJTMIESA-N" } }, "CID:6560164": { "type": "Drug", "properties": { "id": "CID:6560164", "label": "azlocillin", "lsm": "LSM-5812", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6560164", "FDA_Category_D_L1000_Similarity": 0.204792, "FDA_Category_D_Structural_Similarity": 1.01145, "FDA_Category_D_Weighted_Contribution": 1.0438, "FDA_Category_D_Top_Rank": -0.0502553, "FDA_Category_X_L1000_Similarity": 1.23724, "FDA_Category_X_Structural_Similarity": 3.06751, "FDA_Category_X_Weighted_Contribution": 3.54895, "FDA_Category_X_Top_Rank": 0.238634, "FDA_Category_D_and_X_L1000_Similarity": 0.55226, "FDA_Category_D_and_X_Structural_Similarity": 2.45801, "FDA_Category_D_and_X_Weighted_Contribution": 2.63803, "FDA_Category_D_and_X_Top_Rank": 0.0998486, "Placenta_Crossing_L1000_Similarity": 0.58101, "Placenta_Crossing_Structural_Similarity": 6.4314, "Placenta_Crossing_Weighted_Contribution": 4.28468, "Placenta_Crossing_Top_Rank": 2.75155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:65681": { "type": "Drug", "properties": { "id": "CID:65681", "label": "isbufylline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65681", "FDA_Category_D_L1000_Similarity": 1.76648, "FDA_Category_D_Structural_Similarity": 0.886745, "FDA_Category_D_Weighted_Contribution": 1.89881, "FDA_Category_D_Top_Rank": 0.0614061, "FDA_Category_X_L1000_Similarity": 2.98748, "FDA_Category_X_Structural_Similarity": 0.130302, "FDA_Category_X_Weighted_Contribution": 1.64282, "FDA_Category_X_Top_Rank": 0.524934, "FDA_Category_D_and_X_L1000_Similarity": 2.42998, "FDA_Category_D_and_X_Structural_Similarity": 0.774132, "FDA_Category_D_and_X_Weighted_Contribution": 2.05148, "FDA_Category_D_and_X_Top_Rank": 0.409621, "Placenta_Crossing_L1000_Similarity": 2.01002, "Placenta_Crossing_Structural_Similarity": 2.35603, "Placenta_Crossing_Weighted_Contribution": 3.13866, "Placenta_Crossing_Top_Rank": 0.0698346, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:65944": { "type": "Drug", "properties": { "id": "CID:65944", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65944", "label": "pidotimod", "FDA_Category_D_L1000_Similarity": 0.235002, "FDA_Category_D_Structural_Similarity": -0.729387, "FDA_Category_D_Weighted_Contribution": -0.608667, "FDA_Category_D_Top_Rank": -0.0897211, "FDA_Category_X_L1000_Similarity": 0.772486, "FDA_Category_X_Structural_Similarity": -0.472237, "FDA_Category_X_Weighted_Contribution": -0.20246, "FDA_Category_X_Top_Rank": -0.0776342, "FDA_Category_D_and_X_L1000_Similarity": 0.437167, "FDA_Category_D_and_X_Structural_Similarity": -0.833741, "FDA_Category_D_and_X_Weighted_Contribution": -0.613376, "FDA_Category_D_and_X_Top_Rank": -0.0868916, "Placenta_Crossing_L1000_Similarity": 0.162935, "Placenta_Crossing_Structural_Similarity": -0.547282, "Placenta_Crossing_Weighted_Contribution": -0.524297, "Placenta_Crossing_Top_Rank": -0.0869624, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)NC1C(=O)N2CSCC2C(=O)O", "InChI_key": "UUTKICFRNVKFRG-WDSKDSINSA-N" } }, "CID:65997": { "type": "Drug", "properties": { "id": "CID:65997", "label": "lerisetron", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65997", "FDA_Category_D_L1000_Similarity": 0.267337, "FDA_Category_D_Structural_Similarity": 0.371779, "FDA_Category_D_Weighted_Contribution": 0.401121, "FDA_Category_D_Top_Rank": -0.0751337, "FDA_Category_X_L1000_Similarity": -0.130866, "FDA_Category_X_Structural_Similarity": 1.58977, "FDA_Category_X_Weighted_Contribution": 1.52841, "FDA_Category_X_Top_Rank": -0.00322019, "FDA_Category_D_and_X_L1000_Similarity": 0.190711, "FDA_Category_D_and_X_Structural_Similarity": 1.15292, "FDA_Category_D_and_X_Weighted_Contribution": 1.1339, "FDA_Category_D_and_X_Top_Rank": -0.0423471, "Placenta_Crossing_L1000_Similarity": 0.046864, "Placenta_Crossing_Structural_Similarity": 0.11517, "Placenta_Crossing_Weighted_Contribution": -0.0073328, "Placenta_Crossing_Top_Rank": -0.0796672, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4", "InChI_key": "PWWDCRQZITYKDV-UHFFFAOYSA-N" } }, "CID:6604763": { "type": "Drug", "properties": { "id": "CID:6604763", "label": "ICI-192605", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604763", "FDA_Category_D_L1000_Similarity": 1.15538, "FDA_Category_D_Structural_Similarity": 3.10151, "FDA_Category_D_Weighted_Contribution": 3.4577, "FDA_Category_D_Top_Rank": 0.255766, "FDA_Category_X_L1000_Similarity": 1.78685, "FDA_Category_X_Structural_Similarity": -0.591919, "FDA_Category_X_Weighted_Contribution": 0.17572, "FDA_Category_X_Top_Rank": -0.0212022, "FDA_Category_D_and_X_L1000_Similarity": 1.5386, "FDA_Category_D_and_X_Structural_Similarity": 2.14232, "FDA_Category_D_and_X_Weighted_Contribution": 2.83356, "FDA_Category_D_and_X_Top_Rank": 0.0542674, "Placenta_Crossing_L1000_Similarity": 0.583579, "Placenta_Crossing_Structural_Similarity": -0.298013, "Placenta_Crossing_Weighted_Contribution": -0.136292, "Placenta_Crossing_Top_Rank": -0.0813678, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6604858": { "type": "Drug", "properties": { "id": "CID:6604858", "label": "sb-218795", "lsm": "LSM-3357", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604858", "FDA_Category_D_L1000_Similarity": 0.659008, "FDA_Category_D_Structural_Similarity": -0.321362, "FDA_Category_D_Weighted_Contribution": -0.0538782, "FDA_Category_D_Top_Rank": -0.0809346, "FDA_Category_X_L1000_Similarity": 1.56031, "FDA_Category_X_Structural_Similarity": -0.571028, "FDA_Category_X_Weighted_Contribution": 0.082258, "FDA_Category_X_Top_Rank": -0.0429999, "FDA_Category_D_and_X_L1000_Similarity": 1.04191, "FDA_Category_D_and_X_Structural_Similarity": -0.563194, "FDA_Category_D_and_X_Weighted_Contribution": -0.114635, "FDA_Category_D_and_X_Top_Rank": -0.0664242, "Placenta_Crossing_L1000_Similarity": 0.869063, "Placenta_Crossing_Structural_Similarity": -0.588877, "Placenta_Crossing_Weighted_Contribution": -0.264805, "Placenta_Crossing_Top_Rank": -0.0744724, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4", "InChI_key": "IUMQXQJZIHWLIN-HSZRJFAPSA-N" } }, "CID:6604933": { "type": "Drug", "properties": { "id": "CID:6604933", "label": "way-629", "lsm": "LSM-3233", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604933", "FDA_Category_D_L1000_Similarity": -0.252832, "FDA_Category_D_Structural_Similarity": -0.502385, "FDA_Category_D_Weighted_Contribution": -0.652545, "FDA_Category_D_Top_Rank": -0.0939731, "FDA_Category_X_L1000_Similarity": 1.85592, "FDA_Category_X_Structural_Similarity": -0.121682, "FDA_Category_X_Weighted_Contribution": 0.715521, "FDA_Category_X_Top_Rank": -0.0123501, "FDA_Category_D_and_X_L1000_Similarity": 0.345662, "FDA_Category_D_and_X_Structural_Similarity": -0.464409, "FDA_Category_D_and_X_Weighted_Contribution": -0.36533, "FDA_Category_D_and_X_Top_Rank": -0.0883128, "Placenta_Crossing_L1000_Similarity": 1.18303, "Placenta_Crossing_Structural_Similarity": 1.02365, "Placenta_Crossing_Weighted_Contribution": 1.53628, "Placenta_Crossing_Top_Rank": -0.049056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2=C(C1)C3=CC=CC4=C3N2CCNC4", "InChI_key": "OIGHTPDWPMLMGT-UHFFFAOYSA-N" } }, "CID:6610268": { "type": "Drug", "properties": { "id": "CID:6610268", "label": "berbamine", "lsm": "LSM-3111", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610268", "FDA_Category_D_L1000_Similarity": -2.68612, "FDA_Category_D_Structural_Similarity": -0.673463, "FDA_Category_D_Weighted_Contribution": -1.49946, "FDA_Category_D_Top_Rank": -0.0956516, "FDA_Category_X_L1000_Similarity": 1.04651, "FDA_Category_X_Structural_Similarity": 0.201156, "FDA_Category_X_Weighted_Contribution": 0.624774, "FDA_Category_X_Top_Rank": -0.070056, "FDA_Category_D_and_X_L1000_Similarity": -1.99768, "FDA_Category_D_and_X_Structural_Similarity": -0.425993, "FDA_Category_D_and_X_Weighted_Contribution": -1.19562, "FDA_Category_D_and_X_Top_Rank": -0.0932414, "Placenta_Crossing_L1000_Similarity": -2.37111, "Placenta_Crossing_Structural_Similarity": 1.81958, "Placenta_Crossing_Weighted_Contribution": 0.461602, "Placenta_Crossing_Top_Rank": 0.0133188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])OC", "InChI_key": "PUAVTDKYTXNVBU-OIDHKYIRSA-N" } }, "CID:6610353": { "type": "Drug", "properties": { "id": "CID:6610353", "label": "staurosporine", "lsm": "LSM-1103", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610353", "FDA_Category_D_L1000_Similarity": -0.847386, "FDA_Category_D_Structural_Similarity": 0.252226, "FDA_Category_D_Weighted_Contribution": -0.328963, "FDA_Category_D_Top_Rank": -0.0784757, "FDA_Category_X_L1000_Similarity": -2.70868, "FDA_Category_X_Structural_Similarity": -0.675605, "FDA_Category_X_Weighted_Contribution": -1.47375, "FDA_Category_X_Top_Rank": -0.0917636, "FDA_Category_D_and_X_L1000_Similarity": -1.55303, "FDA_Category_D_and_X_Structural_Similarity": -0.164358, "FDA_Category_D_and_X_Weighted_Contribution": -0.914975, "FDA_Category_D_and_X_Top_Rank": -0.0895835, "Placenta_Crossing_L1000_Similarity": -1.38284, "Placenta_Crossing_Structural_Similarity": 0.722308, "Placenta_Crossing_Weighted_Contribution": -0.115799, "Placenta_Crossing_Top_Rank": -0.0622756, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC(C(C(O1)N3C4=CC=CC=C4C5=C6CNC(=O)C6=C7C8=CC=CC=C8N2C7=C53)OC)NC", "InChI_key": "XTGJCWHCHWNXSE-WQGXBGQBSA-N" } }, "CID:66490": { "type": "Drug", "properties": { "id": "CID:66490", "label": "NCI-16221", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/66490", "FDA_Category_D_L1000_Similarity": -0.0404083, "FDA_Category_D_Structural_Similarity": 0.501414, "FDA_Category_D_Weighted_Contribution": 0.349423, "FDA_Category_D_Top_Rank": -0.0708892, "FDA_Category_X_L1000_Similarity": 0.562154, "FDA_Category_X_Structural_Similarity": 0.627272, "FDA_Category_X_Weighted_Contribution": 0.828778, "FDA_Category_X_Top_Rank": -0.0567193, "FDA_Category_D_and_X_L1000_Similarity": 0.135887, "FDA_Category_D_and_X_Structural_Similarity": 0.736453, "FDA_Category_D_and_X_Weighted_Contribution": 0.659598, "FDA_Category_D_and_X_Top_Rank": -0.0660705, "Placenta_Crossing_L1000_Similarity": 0.100248, "Placenta_Crossing_Structural_Similarity": 1.31521, "Placenta_Crossing_Weighted_Contribution": 1.25872, "Placenta_Crossing_Top_Rank": -0.0318871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:667511": { "type": "Drug", "properties": { "id": "CID:667511", "label": "tramadol", "lsm": "LSM-3125", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/667511", "IDG_ID": "2711", "FDA_Category_D_L1000_Similarity": 1.43311, "FDA_Category_D_Structural_Similarity": -0.855374, "FDA_Category_D_Weighted_Contribution": -0.12816, "FDA_Category_D_Top_Rank": -0.0200294, "FDA_Category_X_L1000_Similarity": 0.722563, "FDA_Category_X_Structural_Similarity": -0.631468, "FDA_Category_X_Weighted_Contribution": -0.368359, "FDA_Category_X_Top_Rank": -0.0786964, "FDA_Category_D_and_X_L1000_Similarity": 1.45479, "FDA_Category_D_and_X_Structural_Similarity": -1.01966, "FDA_Category_D_and_X_Weighted_Contribution": -0.31006, "FDA_Category_D_and_X_Top_Rank": -0.0295241, "Placenta_Crossing_L1000_Similarity": 1.87691, "Placenta_Crossing_Structural_Similarity": -1.04517, "Placenta_Crossing_Weighted_Contribution": -0.21704, "Placenta_Crossing_Top_Rank": 0.0171275, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O", "InChI_key": "TVYLLZQTGLZFBW-GOEBONIOSA-N" } }, "CID:6708584": { "type": "Drug", "properties": { "id": "CID:6708584", "label": "isogedunin", "lsm": "LSM-1621", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708584", "FDA_Category_D_L1000_Similarity": 0.22024, "FDA_Category_D_Structural_Similarity": -0.497415, "FDA_Category_D_Weighted_Contribution": -0.432868, "FDA_Category_D_Top_Rank": -0.0899821, "FDA_Category_X_L1000_Similarity": 0.424728, "FDA_Category_X_Structural_Similarity": 0.728837, "FDA_Category_X_Weighted_Contribution": 0.865589, "FDA_Category_X_Top_Rank": -0.0526881, "FDA_Category_D_and_X_L1000_Similarity": 0.318835, "FDA_Category_D_and_X_Structural_Similarity": -0.00152708, "FDA_Category_D_and_X_Weighted_Contribution": 0.028368, "FDA_Category_D_and_X_Top_Rank": -0.0863807, "Placenta_Crossing_L1000_Similarity": 0.112883, "Placenta_Crossing_Structural_Similarity": -0.225886, "Placenta_Crossing_Weighted_Contribution": -0.282517, "Placenta_Crossing_Top_Rank": -0.0863252, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CC2C(C=CC(=O)C2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C", "InChI_key": "IYBDWVUOOFQLSF-LLPMONEMSA-N" } }, "CID:6708718": { "type": "Drug", "properties": { "id": "CID:6708718", "label": "lupanine", "lsm": "LSM-1910", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708718", "FDA_Category_D_L1000_Similarity": 0.400783, "FDA_Category_D_Structural_Similarity": -0.684452, "FDA_Category_D_Weighted_Contribution": -0.498475, "FDA_Category_D_Top_Rank": -0.0871939, "FDA_Category_X_L1000_Similarity": -1.47676, "FDA_Category_X_Structural_Similarity": -0.486295, "FDA_Category_X_Weighted_Contribution": -1.07288, "FDA_Category_X_Top_Rank": -0.0895996, "FDA_Category_D_and_X_L1000_Similarity": -0.102991, "FDA_Category_D_and_X_Structural_Similarity": -0.805661, "FDA_Category_D_and_X_Weighted_Contribution": -0.80545, "FDA_Category_D_and_X_Top_Rank": -0.0930049, "Placenta_Crossing_L1000_Similarity": 0.763477, "Placenta_Crossing_Structural_Similarity": -0.982437, "Placenta_Crossing_Weighted_Contribution": -0.623329, "Placenta_Crossing_Top_Rank": -0.077371, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN2CC3CC(C2C1)CN4C3CCCC4=O", "InChI_key": "JYIJIIVLEOETIQ-RFPFOJJUSA-N" } }, "CID:6710752": { "type": "Drug", "properties": { "id": "CID:6710752", "label": "iriflophenone", "lsm": "LSM-3763", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710752", "FDA_Category_D_L1000_Similarity": 2.09267, "FDA_Category_D_Structural_Similarity": 0.306128, "FDA_Category_D_Weighted_Contribution": 1.48131, "FDA_Category_D_Top_Rank": 0.274656, "FDA_Category_X_L1000_Similarity": 1.34554, "FDA_Category_X_Structural_Similarity": 1.08309, "FDA_Category_X_Weighted_Contribution": 1.79021, "FDA_Category_X_Top_Rank": -0.0366582, "FDA_Category_D_and_X_L1000_Similarity": 2.21253, "FDA_Category_D_and_X_Structural_Similarity": 0.827407, "FDA_Category_D_and_X_Weighted_Contribution": 1.98281, "FDA_Category_D_and_X_Top_Rank": 0.223197, "Placenta_Crossing_L1000_Similarity": 1.25446, "Placenta_Crossing_Structural_Similarity": 0.026335, "Placenta_Crossing_Weighted_Contribution": 0.508957, "Placenta_Crossing_Top_Rank": -0.0586574, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6710776": { "type": "Drug", "properties": { "id": "CID:6710776", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6710776", "label": "Nomilin", "FDA_Category_D_L1000_Similarity": 0.5225, "FDA_Category_D_Structural_Similarity": -0.247382, "FDA_Category_D_Weighted_Contribution": -0.0594145, "FDA_Category_D_Top_Rank": -0.0847325, "FDA_Category_X_L1000_Similarity": -0.792376, "FDA_Category_X_Structural_Similarity": 0.813072, "FDA_Category_X_Weighted_Contribution": 0.293866, "FDA_Category_X_Top_Rank": -0.0494022, "FDA_Category_D_and_X_L1000_Similarity": 0.209771, "FDA_Category_D_and_X_Structural_Similarity": 0.24238, "FDA_Category_D_and_X_Weighted_Contribution": 0.202416, "FDA_Category_D_and_X_Top_Rank": -0.080762, "Placenta_Crossing_L1000_Similarity": 0.84376, "Placenta_Crossing_Structural_Similarity": -0.295559, "Placenta_Crossing_Weighted_Contribution": -0.0133452, "Placenta_Crossing_Top_Rank": -0.0751761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6758": { "type": "Drug", "properties": { "id": "CID:6758", "label": "rotenone", "lsm": "LSM-5260", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6758", "FDA_Category_D_L1000_Similarity": -0.322973, "FDA_Category_D_Structural_Similarity": -0.720195, "FDA_Category_D_Weighted_Contribution": -0.834676, "FDA_Category_D_Top_Rank": -0.0943593, "FDA_Category_X_L1000_Similarity": -0.892994, "FDA_Category_X_Structural_Similarity": 1.26218, "FDA_Category_X_Weighted_Contribution": 0.72472, "FDA_Category_X_Top_Rank": -0.0239286, "FDA_Category_D_and_X_L1000_Similarity": -0.549597, "FDA_Category_D_and_X_Structural_Similarity": 0.109437, "FDA_Category_D_and_X_Weighted_Contribution": -0.305434, "FDA_Category_D_and_X_Top_Rank": -0.0838074, "Placenta_Crossing_L1000_Similarity": -0.653155, "Placenta_Crossing_Structural_Similarity": -0.257139, "Placenta_Crossing_Weighted_Contribution": -0.61841, "Placenta_Crossing_Top_Rank": -0.0868346, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC", "InChI_key": "JUVIOZPCNVVQFO-HBGVWJBISA-N" } }, "CID:6803": { "type": "Drug", "properties": { "id": "CID:6803", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6803", "label": "Tioguanine", "FDA_Category_D_L1000_Similarity": -1.91468, "FDA_Category_D_Structural_Similarity": -0.138636, "FDA_Category_D_Weighted_Contribution": -1.05185, "FDA_Category_D_Top_Rank": -0.0883279, "FDA_Category_X_L1000_Similarity": -0.852856, "FDA_Category_X_Structural_Similarity": 0.0972835, "FDA_Category_X_Weighted_Contribution": -0.42001, "FDA_Category_X_Top_Rank": -0.0771821, "FDA_Category_D_and_X_L1000_Similarity": -1.90948, "FDA_Category_D_and_X_Structural_Similarity": -0.0575433, "FDA_Category_D_and_X_Weighted_Contribution": -0.971058, "FDA_Category_D_and_X_Top_Rank": -0.0874614, "Placenta_Crossing_L1000_Similarity": -1.81354, "Placenta_Crossing_Structural_Similarity": -0.166096, "Placenta_Crossing_Weighted_Contribution": -0.953925, "Placenta_Crossing_Top_Rank": -0.0854368, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:68071": { "type": "Drug", "properties": { "id": "CID:68071", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68071", "label": "pinocembrin", "FDA_Category_D_L1000_Similarity": 0.903039, "FDA_Category_D_Structural_Similarity": -0.546145, "FDA_Category_D_Weighted_Contribution": -0.129228, "FDA_Category_D_Top_Rank": -0.0713531, "FDA_Category_X_L1000_Similarity": 0.322784, "FDA_Category_X_Structural_Similarity": 0.329903, "FDA_Category_X_Weighted_Contribution": 0.37267, "FDA_Category_X_Top_Rank": -0.068461, "FDA_Category_D_and_X_L1000_Similarity": 0.876456, "FDA_Category_D_and_X_Structural_Similarity": -0.255468, "FDA_Category_D_and_X_Weighted_Contribution": 0.0834403, "FDA_Category_D_and_X_Top_Rank": -0.075075, "Placenta_Crossing_L1000_Similarity": 1.022, "Placenta_Crossing_Structural_Similarity": -0.717258, "Placenta_Crossing_Weighted_Contribution": -0.308227, "Placenta_Crossing_Top_Rank": -0.0697067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3", "InChI_key": "URFCJEUYXNAHFI-ZDUSSCGKSA-N" } }, "CID:681": { "type": "Drug", "properties": { "id": "CID:681", "label": "dopamine", "lsm": "LSM-4630", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/681", "IDG_ID": "947", "FDA_Category_D_L1000_Similarity": 0.528541, "FDA_Category_D_Structural_Similarity": -0.594574, "FDA_Category_D_Weighted_Contribution": -0.363721, "FDA_Category_D_Top_Rank": -0.0845779, "FDA_Category_X_L1000_Similarity": 1.18892, "FDA_Category_X_Structural_Similarity": -0.0372048, "FDA_Category_X_Weighted_Contribution": 0.443355, "FDA_Category_X_Top_Rank": -0.0646943, "FDA_Category_D_and_X_L1000_Similarity": 0.816662, "FDA_Category_D_and_X_Structural_Similarity": -0.491997, "FDA_Category_D_and_X_Weighted_Contribution": -0.163628, "FDA_Category_D_and_X_Top_Rank": -0.0771206, "Placenta_Crossing_L1000_Similarity": 0.850736, "Placenta_Crossing_Structural_Similarity": -0.105022, "Placenta_Crossing_Weighted_Contribution": 0.171407, "Placenta_Crossing_Top_Rank": -0.0749663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1CCN)O)O", "InChI_key": "VYFYYTLLBUKUHU-UHFFFAOYSA-N" } }, "CID:6834": { "type": "Drug", "properties": { "id": "CID:6834", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6834", "label": "brompheniramine", "FDA_Category_D_L1000_Similarity": -1.96335, "FDA_Category_D_Structural_Similarity": -0.874661, "FDA_Category_D_Weighted_Contribution": -1.41758, "FDA_Category_D_Top_Rank": -0.0968609, "FDA_Category_X_L1000_Similarity": 0.639926, "FDA_Category_X_Structural_Similarity": -0.749261, "FDA_Category_X_Weighted_Contribution": -0.504033, "FDA_Category_X_Top_Rank": -0.0804007, "FDA_Category_D_and_X_L1000_Similarity": -1.49811, "FDA_Category_D_and_X_Structural_Similarity": -1.09853, "FDA_Category_D_and_X_Weighted_Contribution": -1.36859, "FDA_Category_D_and_X_Top_Rank": -0.0966597, "Placenta_Crossing_L1000_Similarity": -0.817744, "Placenta_Crossing_Structural_Similarity": -1.04317, "Placenta_Crossing_Weighted_Contribution": -1.16144, "Placenta_Crossing_Top_Rank": -0.0915363, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2", "InChI_key": "ZDIGNSYAACHWNL-UHFFFAOYSA-N" } }, "CID:6857791": { "type": "Drug", "properties": { "id": "CID:6857791", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6857791", "label": "sappanone-a", "FDA_Category_D_L1000_Similarity": -0.783928, "FDA_Category_D_Structural_Similarity": 0.424813, "FDA_Category_D_Weighted_Contribution": -0.144578, "FDA_Category_D_Top_Rank": -0.0736382, "FDA_Category_X_L1000_Similarity": -0.101511, "FDA_Category_X_Structural_Similarity": 0.532822, "FDA_Category_X_Weighted_Contribution": 0.362715, "FDA_Category_X_Top_Rank": -0.0604841, "FDA_Category_D_and_X_L1000_Similarity": -0.706582, "FDA_Category_D_and_X_Structural_Similarity": 0.624688, "FDA_Category_D_and_X_Weighted_Contribution": 0.0765982, "FDA_Category_D_and_X_Top_Rank": -0.0698916, "Placenta_Crossing_L1000_Similarity": -0.9219, "Placenta_Crossing_Structural_Similarity": 0.638646, "Placenta_Crossing_Weighted_Contribution": 0.0226177, "Placenta_Crossing_Top_Rank": -0.0652081, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OC)OC)CO2", "InChI_key": "YKRAQIAZPKGEIC-JYRVWZFOSA-N" } }, "CID:68591": { "type": "Drug", "properties": { "id": "CID:68591", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68591", "label": "toltrazuril", "FDA_Category_D_L1000_Similarity": 1.91445, "FDA_Category_D_Structural_Similarity": -0.472047, "FDA_Category_D_Weighted_Contribution": 0.526216, "FDA_Category_D_Top_Rank": 0.128415, "FDA_Category_X_L1000_Similarity": 0.80008, "FDA_Category_X_Structural_Similarity": -0.687796, "FDA_Category_X_Weighted_Contribution": -0.383663, "FDA_Category_X_Top_Rank": -0.0768995, "FDA_Category_D_and_X_L1000_Similarity": 1.89326, "FDA_Category_D_and_X_Structural_Similarity": -0.745802, "FDA_Category_D_and_X_Weighted_Contribution": 0.159425, "FDA_Category_D_and_X_Top_Rank": 0.0573433, "Placenta_Crossing_L1000_Similarity": 1.73813, "Placenta_Crossing_Structural_Similarity": 1.59283, "Placenta_Crossing_Weighted_Contribution": 2.39892, "Placenta_Crossing_Top_Rank": -0.00984934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F", "InChI_key": "OCINXEZVIIVXFU-UHFFFAOYSA-N" } }, "CID:68770": { "type": "Drug", "properties": { "id": "CID:68770", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68770", "label": "talinolol", "FDA_Category_D_L1000_Similarity": -0.468942, "FDA_Category_D_Structural_Similarity": 0.442197, "FDA_Category_D_Weighted_Contribution": 0.0432254, "FDA_Category_D_Top_Rank": -0.0730983, "FDA_Category_X_L1000_Similarity": 0.602519, "FDA_Category_X_Structural_Similarity": 1.46514, "FDA_Category_X_Weighted_Contribution": 1.80165, "FDA_Category_X_Top_Rank": -0.0104138, "FDA_Category_D_and_X_L1000_Similarity": -0.22126, "FDA_Category_D_and_X_Structural_Similarity": 1.14156, "FDA_Category_D_and_X_Weighted_Contribution": 0.875295, "FDA_Category_D_and_X_Top_Rank": -0.0431074, "Placenta_Crossing_L1000_Similarity": -0.48538, "Placenta_Crossing_Structural_Similarity": 1.88881, "Placenta_Crossing_Weighted_Contribution": 1.55634, "Placenta_Crossing_Top_Rank": 0.02068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O", "InChI_key": "MXFWWQICDIZSOA-UHFFFAOYSA-N" } }, "CID:6915744": { "type": "Drug", "properties": { "id": "CID:6915744", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6915744", "label": "roxithromycin", "FDA_Category_D_L1000_Similarity": 0.230537, "FDA_Category_D_Structural_Similarity": 0.482312, "FDA_Category_D_Weighted_Contribution": 0.493124, "FDA_Category_D_Top_Rank": -0.0716148, "FDA_Category_X_L1000_Similarity": 1.23676, "FDA_Category_X_Structural_Similarity": -0.451571, "FDA_Category_X_Weighted_Contribution": 0.0400169, "FDA_Category_X_Top_Rank": -0.0625879, "FDA_Category_D_and_X_L1000_Similarity": 0.574307, "FDA_Category_D_and_X_Structural_Similarity": 0.139152, "FDA_Category_D_and_X_Weighted_Contribution": 0.301598, "FDA_Category_D_and_X_Top_Rank": -0.0830992, "Placenta_Crossing_L1000_Similarity": 1.5804, "Placenta_Crossing_Structural_Similarity": -0.372158, "Placenta_Crossing_Weighted_Contribution": 0.272687, "Placenta_Crossing_Top_Rank": -0.0309781, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O", "InChI_key": "RXZBMPWDPOLZGW-XMRMVWPWSA-N" } }, "CID:6918537": { "type": "Drug", "properties": { "id": "CID:6918537", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918537", "label": "vildagliptin", "FDA_Category_D_L1000_Similarity": 1.30553, "FDA_Category_D_Structural_Similarity": -0.198973, "FDA_Category_D_Weighted_Contribution": 0.439422, "FDA_Category_D_Top_Rank": -0.0371274, "FDA_Category_X_L1000_Similarity": 0.510215, "FDA_Category_X_Structural_Similarity": -0.656934, "FDA_Category_X_Weighted_Contribution": -0.481173, "FDA_Category_X_Top_Rank": -0.0824022, "FDA_Category_D_and_X_L1000_Similarity": 1.28033, "FDA_Category_D_and_X_Structural_Similarity": -0.512407, "FDA_Category_D_and_X_Weighted_Contribution": 0.0546646, "FDA_Category_D_and_X_Top_Rank": -0.0484629, "Placenta_Crossing_L1000_Similarity": 1.20285, "Placenta_Crossing_Structural_Similarity": -0.737673, "Placenta_Crossing_Weighted_Contribution": -0.247061, "Placenta_Crossing_Top_Rank": -0.0615409, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N", "InChI_key": "SYOKIDBDQMKNDQ-XWTIBIIYSA-N" } }, "CID:6918878": { "type": "Drug", "properties": { "id": "CID:6918878", "label": "merck60", "lsm": "LSM-6529", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918878", "FDA_Category_D_L1000_Similarity": -1.1213, "FDA_Category_D_Structural_Similarity": 0.883115, "FDA_Category_D_Weighted_Contribution": 0.099829, "FDA_Category_D_Top_Rank": -0.0566723, "FDA_Category_X_L1000_Similarity": -1.33959, "FDA_Category_X_Structural_Similarity": -0.491851, "FDA_Category_X_Weighted_Contribution": -1.03442, "FDA_Category_X_Top_Rank": -0.0896737, "FDA_Category_D_and_X_L1000_Similarity": -1.37338, "FDA_Category_D_and_X_Structural_Similarity": 0.435539, "FDA_Category_D_and_X_Weighted_Contribution": -0.417182, "FDA_Category_D_and_X_Top_Rank": -0.0758306, "Placenta_Crossing_L1000_Similarity": -0.96205, "Placenta_Crossing_Structural_Similarity": 0.770753, "Placenta_Crossing_Weighted_Contribution": 0.128938, "Placenta_Crossing_Top_Rank": -0.0605924, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N", "InChI_key": "ABZSPJVXTTUFAA-UHFFFAOYSA-N" } }, "CID:698112": { "type": "Drug", "properties": { "id": "CID:698112", "label": "AEG-3482", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/698112", "FDA_Category_D_L1000_Similarity": 1.02299, "FDA_Category_D_Structural_Similarity": -0.433471, "FDA_Category_D_Weighted_Contribution": 0.0413063, "FDA_Category_D_Top_Rank": -0.0640944, "FDA_Category_X_L1000_Similarity": 0.434068, "FDA_Category_X_Structural_Similarity": -0.749508, "FDA_Category_X_Weighted_Contribution": -0.588171, "FDA_Category_X_Top_Rank": -0.0833385, "FDA_Category_D_and_X_L1000_Similarity": 1.01366, "FDA_Category_D_and_X_Structural_Similarity": -0.748483, "FDA_Category_D_and_X_Weighted_Contribution": -0.289917, "FDA_Category_D_and_X_Top_Rank": -0.0682441, "Placenta_Crossing_L1000_Similarity": 0.149225, "Placenta_Crossing_Structural_Similarity": -0.413967, "Placenta_Crossing_Weighted_Contribution": -0.423962, "Placenta_Crossing_Top_Rank": -0.0870757, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:69923936": { "type": "Drug", "properties": { "id": "CID:69923936", "label": "jw-7-24-1", "lsm": "LSM-5674", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/69923936", "FDA_Category_D_L1000_Similarity": -2.09293, "FDA_Category_D_Structural_Similarity": -0.687077, "FDA_Category_D_Weighted_Contribution": -1.37256, "FDA_Category_D_Top_Rank": -0.095744, "FDA_Category_X_L1000_Similarity": 0.646198, "FDA_Category_X_Structural_Similarity": -0.0667777, "FDA_Category_X_Weighted_Contribution": 0.129342, "FDA_Category_X_Top_Rank": -0.080263, "FDA_Category_D_and_X_L1000_Similarity": -1.6079, "FDA_Category_D_and_X_Structural_Similarity": -0.581375, "FDA_Category_D_and_X_Weighted_Contribution": -1.16449, "FDA_Category_D_and_X_Top_Rank": -0.0946681, "Placenta_Crossing_L1000_Similarity": -1.97839, "Placenta_Crossing_Structural_Similarity": -0.326956, "Placenta_Crossing_Weighted_Contribution": -1.09434, "Placenta_Crossing_Top_Rank": -0.0878708, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F)OC", "InChI_key": "VVTHOUCIAGHQBD-UHFFFAOYSA-N" } }, "CID:7028": { "type": "Drug", "properties": { "id": "CID:7028", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7028", "label": "pseudoephedrine", "ref": "LSM-3885", "FDA_Category_D_L1000_Similarity": 0.161343, "FDA_Category_D_Structural_Similarity": -0.835727, "FDA_Category_D_Weighted_Contribution": -0.718563, "FDA_Category_D_Top_Rank": -0.0906455, "FDA_Category_X_L1000_Similarity": -0.327638, "FDA_Category_X_Structural_Similarity": -0.658942, "FDA_Category_X_Weighted_Contribution": -0.808297, "FDA_Category_X_Top_Rank": -0.0893784, "FDA_Category_D_and_X_L1000_Similarity": 0.0395774, "FDA_Category_D_and_X_Structural_Similarity": -1.01889, "FDA_Category_D_and_X_Weighted_Contribution": -0.89125, "FDA_Category_D_and_X_Top_Rank": -0.09187, "Placenta_Crossing_L1000_Similarity": 1.17766, "Placenta_Crossing_Structural_Similarity": 1.67669, "Placenta_Crossing_Weighted_Contribution": 2.20695, "Placenta_Crossing_Top_Rank": -0.00448248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1=CC=CC=C1)O)NC", "InChI_key": "KWGRBVOPPLSCSI-WCBMZHEXSA-N" } }, "CID:708857": { "type": "Drug", "properties": { "id": "CID:708857", "label": "pyrantel", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/708857", "FDA_Category_D_L1000_Similarity": 1.22728, "FDA_Category_X_L1000_Similarity": 0.192747, "FDA_Category_D_and_X_L1000_Similarity": 1.11647, "Placenta_Crossing_L1000_Similarity": 0.699022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCN=C1C=CC2=CC=CS2", "InChI_key": "YSAUAVHXTIETRK-AATRIKPKSA-N" } }, "CID:71015": { "type": "Drug", "properties": { "id": "CID:71015", "label": "n-methylphenothiazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71015", "FDA_Category_D_L1000_Similarity": 0.13047, "FDA_Category_D_Structural_Similarity": -0.851302, "FDA_Category_D_Weighted_Contribution": -0.742443, "FDA_Category_D_Top_Rank": -0.0909552, "FDA_Category_X_L1000_Similarity": 0.403043, "FDA_Category_X_Structural_Similarity": -0.665314, "FDA_Category_X_Weighted_Contribution": -0.532561, "FDA_Category_X_Top_Rank": -0.0837376, "FDA_Category_D_and_X_L1000_Similarity": 0.23486, "FDA_Category_D_and_X_Structural_Similarity": -1.03469, "FDA_Category_D_and_X_Weighted_Contribution": -0.831465, "FDA_Category_D_and_X_Top_Rank": -0.0898069, "Placenta_Crossing_L1000_Similarity": -0.541204, "Placenta_Crossing_Structural_Similarity": -0.967556, "Placenta_Crossing_Weighted_Contribution": -1.04531, "Placenta_Crossing_Top_Rank": -0.0909085, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71158": { "type": "Drug", "properties": { "id": "CID:71158", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71158", "label": "acamprosate", "FDA_Category_D_L1000_Similarity": 0.643083, "FDA_Category_D_Structural_Similarity": -0.756949, "FDA_Category_D_Weighted_Contribution": -0.442603, "FDA_Category_D_Top_Rank": -0.0813389, "FDA_Category_X_L1000_Similarity": 0.322004, "FDA_Category_X_Structural_Similarity": 1.03948, "FDA_Category_X_Weighted_Contribution": 1.15937, "FDA_Category_X_Top_Rank": -0.0388643, "FDA_Category_D_and_X_L1000_Similarity": 0.652134, "FDA_Category_D_and_X_Structural_Similarity": -0.0399014, "FDA_Category_D_and_X_Weighted_Contribution": 0.169216, "FDA_Category_D_and_X_Top_Rank": -0.0823964, "Placenta_Crossing_L1000_Similarity": 1.36389, "Placenta_Crossing_Structural_Similarity": -0.254822, "Placenta_Crossing_Weighted_Contribution": 0.280137, "Placenta_Crossing_Top_Rank": -0.0514042, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCCCS(=O)(=O)O", "InChI_key": "AFCGFAGUEYAMAO-UHFFFAOYSA-N" } }, "CID:71226662": { "type": "Drug", "properties": { "id": "CID:71226662", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71226662", "label": "acalabrutinib", "FDA_Category_D_L1000_Similarity": -0.12203, "FDA_Category_D_Structural_Similarity": 0.0639263, "FDA_Category_D_Weighted_Contribution": -0.120291, "FDA_Category_D_Top_Rank": -0.0835598, "FDA_Category_X_L1000_Similarity": -0.481352, "FDA_Category_X_Structural_Similarity": 0.737941, "FDA_Category_X_Weighted_Contribution": 0.378655, "FDA_Category_X_Top_Rank": -0.0523452, "FDA_Category_D_and_X_L1000_Similarity": -0.251367, "FDA_Category_D_and_X_Structural_Similarity": 0.448929, "FDA_Category_D_and_X_Weighted_Contribution": 0.152236, "FDA_Category_D_and_X_Top_Rank": -0.0754646, "Placenta_Crossing_L1000_Similarity": 0.840417, "Placenta_Crossing_Structural_Similarity": -0.194569, "Placenta_Crossing_Weighted_Contribution": 0.0801508, "Placenta_Crossing_Top_Rank": -0.0752648, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5", "InChI_key": "WDENQIQQYWYTPO-IBGZPJMESA-N" } }, "CID:71354": { "type": "Drug", "properties": { "id": "CID:71354", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71354", "label": "bindarit", "FDA_Category_D_L1000_Similarity": -0.837859, "FDA_Category_D_Structural_Similarity": 1.39228, "FDA_Category_D_Weighted_Contribution": 0.794547, "FDA_Category_D_Top_Rank": -0.0265667, "FDA_Category_X_L1000_Similarity": 1.31576, "FDA_Category_X_Structural_Similarity": -0.131682, "FDA_Category_X_Weighted_Contribution": 0.410206, "FDA_Category_X_Top_Rank": -0.0583183, "FDA_Category_D_and_X_L1000_Similarity": -0.322675, "FDA_Category_D_and_X_Structural_Similarity": 1.03402, "FDA_Category_D_and_X_Weighted_Contribution": 0.701925, "FDA_Category_D_and_X_Top_Rank": -0.0509865, "Placenta_Crossing_L1000_Similarity": -0.0438077, "Placenta_Crossing_Structural_Similarity": -0.476612, "Placenta_Crossing_Weighted_Contribution": -0.550714, "Placenta_Crossing_Top_Rank": -0.088636, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3", "InChI_key": "MTHORRSSURHQPZ-UHFFFAOYSA-N" } }, "CID:71414": { "type": "Drug", "properties": { "id": "CID:71414", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71414", "label": "diflorasone", "FDA_Category_D_L1000_Similarity": 1.17061, "FDA_Category_D_Structural_Similarity": 0.630107, "FDA_Category_D_Weighted_Contribution": 1.24535, "FDA_Category_D_Top_Rank": -0.051538, "FDA_Category_X_L1000_Similarity": -0.19043, "FDA_Category_X_Structural_Similarity": 3.08658, "FDA_Category_X_Weighted_Contribution": 3.02788, "FDA_Category_X_Top_Rank": 0.245025, "FDA_Category_D_and_X_L1000_Similarity": 0.951257, "FDA_Category_D_and_X_Structural_Similarity": 2.16563, "FDA_Category_D_and_X_Weighted_Contribution": 2.57866, "FDA_Category_D_and_X_Top_Rank": 0.0564523, "Placenta_Crossing_L1000_Similarity": 0.770114, "Placenta_Crossing_Structural_Similarity": 0.438493, "Placenta_Crossing_Weighted_Contribution": 0.682636, "Placenta_Crossing_Top_Rank": -0.0714136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F", "InChI_key": "BOBLHFUVNSFZPJ-JOYXJVLSSA-N" } }, "CID:71693": { "type": "Drug", "properties": { "id": "CID:71693", "label": "fomocaine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71693", "FDA_Category_D_L1000_Similarity": -1.82136, "FDA_Category_D_Structural_Similarity": -0.0646315, "FDA_Category_D_Weighted_Contribution": -0.975999, "FDA_Category_D_Top_Rank": -0.0866684, "FDA_Category_X_L1000_Similarity": 1.45303, "FDA_Category_X_Structural_Similarity": 0.0943645, "FDA_Category_X_Weighted_Contribution": 0.731552, "FDA_Category_X_Top_Rank": -0.0498761, "FDA_Category_D_and_X_L1000_Similarity": -1.12879, "FDA_Category_D_and_X_Structural_Similarity": -0.000380148, "FDA_Category_D_and_X_Weighted_Contribution": -0.645863, "FDA_Category_D_and_X_Top_Rank": -0.0863565, "Placenta_Crossing_L1000_Similarity": 0.652812, "Placenta_Crossing_Structural_Similarity": 0.291462, "Placenta_Crossing_Weighted_Contribution": 0.467694, "Placenta_Crossing_Top_Rank": -0.0752057, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71759907": { "type": "Drug", "properties": { "id": "CID:71759907", "label": "SA-1939891", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71759907", "FDA_Category_D_L1000_Similarity": 0.00672405, "FDA_Category_D_Structural_Similarity": 1.84015, "FDA_Category_D_Weighted_Contribution": 1.81753, "FDA_Category_D_Top_Rank": 0.0230742, "FDA_Category_X_L1000_Similarity": 0.62031, "FDA_Category_X_Structural_Similarity": -0.607887, "FDA_Category_X_Weighted_Contribution": -0.392393, "FDA_Category_X_Top_Rank": -0.0806971, "FDA_Category_D_and_X_L1000_Similarity": 0.194172, "FDA_Category_D_and_X_Structural_Similarity": 1.13254, "FDA_Category_D_and_X_Weighted_Contribution": 1.11415, "FDA_Category_D_and_X_Top_Rank": -0.0436038, "Placenta_Crossing_L1000_Similarity": 1.02862, "Placenta_Crossing_Structural_Similarity": 1.03405, "Placenta_Crossing_Weighted_Contribution": 1.46343, "Placenta_Crossing_Top_Rank": -0.0483742, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71815": { "type": "Drug", "properties": { "id": "CID:71815", "label": "secnidazole", "lsm": "LSM-5131", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71815", "FDA_Category_D_L1000_Similarity": 1.11847, "FDA_Category_D_Structural_Similarity": -0.164108, "FDA_Category_D_Weighted_Contribution": 0.362767, "FDA_Category_D_Top_Rank": -0.0566347, "FDA_Category_X_L1000_Similarity": 1.7798, "FDA_Category_X_Structural_Similarity": 1.39362, "FDA_Category_X_Weighted_Contribution": 2.35975, "FDA_Category_X_Top_Rank": -0.0149721, "FDA_Category_D_and_X_L1000_Similarity": 1.50462, "FDA_Category_D_and_X_Structural_Similarity": 0.621737, "FDA_Category_D_and_X_Weighted_Contribution": 1.35377, "FDA_Category_D_and_X_Top_Rank": -0.0230732, "Placenta_Crossing_L1000_Similarity": 0.695523, "Placenta_Crossing_Structural_Similarity": -0.124807, "Placenta_Crossing_Weighted_Contribution": 0.0765859, "Placenta_Crossing_Top_Rank": -0.0790358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(N1CC(C)O)[N+](=O)[O-]", "InChI_key": "KPQZUUQMTUIKBP-UHFFFAOYSA-N" } }, "CID:72093": { "type": "Drug", "properties": { "id": "CID:72093", "label": "otilonium", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72093", "FDA_Category_D_L1000_Similarity": 0.69859, "FDA_Category_D_Structural_Similarity": -0.7328, "FDA_Category_D_Weighted_Contribution": -0.396008, "FDA_Category_D_Top_Rank": -0.079578, "FDA_Category_X_L1000_Similarity": -0.898386, "FDA_Category_X_Structural_Similarity": -0.600537, "FDA_Category_X_Weighted_Contribution": -0.963337, "FDA_Category_X_Top_Rank": -0.0910858, "FDA_Category_D_and_X_L1000_Similarity": 0.329376, "FDA_Category_D_and_X_Structural_Similarity": -0.905681, "FDA_Category_D_and_X_Weighted_Contribution": -0.708499, "FDA_Category_D_and_X_Top_Rank": -0.0885727, "Placenta_Crossing_L1000_Similarity": 0.0218461, "Placenta_Crossing_Structural_Similarity": 0.0519981, "Placenta_Crossing_Weighted_Contribution": -0.0773536, "Placenta_Crossing_Top_Rank": -0.0811744, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC", "InChI_key": "NQHNLNLJPDMBFN-UHFFFAOYSA-O" } }, "CID:72193870": { "type": "Drug", "properties": { "id": "CID:72193870", "label": "qw-bi-011", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72193870", "FDA_Category_D_L1000_Similarity": -0.372406, "FDA_Category_D_Structural_Similarity": 0.0984514, "FDA_Category_D_Weighted_Contribution": -0.221008, "FDA_Category_D_Top_Rank": -0.0826158, "FDA_Category_X_L1000_Similarity": 1.04735, "FDA_Category_X_Structural_Similarity": -0.583865, "FDA_Category_X_Weighted_Contribution": -0.178382, "FDA_Category_X_Top_Rank": -0.0699984, "FDA_Category_D_and_X_L1000_Similarity": -0.0029592, "FDA_Category_D_and_X_Structural_Similarity": -0.236909, "FDA_Category_D_and_X_Weighted_Contribution": -0.338812, "FDA_Category_D_and_X_Top_Rank": -0.0907584, "Placenta_Crossing_L1000_Similarity": -0.521585, "Placenta_Crossing_Structural_Similarity": -0.794979, "Placenta_Crossing_Weighted_Contribution": -0.937737, "Placenta_Crossing_Top_Rank": -0.0908512, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=CC=C3)CCCC4=CC=CC=C4", "InChI_key": "UCGWYCMPZXDHNR-UHFFFAOYSA-N" } }, "CID:72967": { "type": "Drug", "properties": { "id": "CID:72967", "label": "isonicotinohydroxamic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72967", "FDA_Category_D_L1000_Similarity": 1.11119, "FDA_Category_D_Structural_Similarity": -0.113689, "FDA_Category_D_Weighted_Contribution": 0.410041, "FDA_Category_D_Top_Rank": -0.0574848, "FDA_Category_X_L1000_Similarity": 3.30402, "FDA_Category_X_Structural_Similarity": -0.746833, "FDA_Category_X_Weighted_Contribution": 0.826467, "FDA_Category_X_Top_Rank": 1.16231, "FDA_Category_D_and_X_L1000_Similarity": 1.96123, "FDA_Category_D_and_X_Structural_Similarity": -0.493224, "FDA_Category_D_and_X_Weighted_Contribution": 0.447092, "FDA_Category_D_and_X_Top_Rank": 0.0821774, "Placenta_Crossing_L1000_Similarity": 2.39896, "Placenta_Crossing_Structural_Similarity": 1.54839, "Placenta_Crossing_Weighted_Contribution": 2.66086, "Placenta_Crossing_Top_Rank": 0.214667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73010930": { "type": "Drug", "properties": { "id": "CID:73010930", "label": "GSK-2801", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73010930", "FDA_Category_D_L1000_Similarity": 0.63075, "FDA_Category_X_L1000_Similarity": -0.617616, "FDA_Category_D_and_X_L1000_Similarity": 0.356156, "Placenta_Crossing_L1000_Similarity": 0.681162, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73313": { "type": "Drug", "properties": { "id": "CID:73313", "label": "trimidox", "lsm": "LSM-5297", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73313", "FDA_Category_D_L1000_Similarity": 1.57815, "FDA_Category_D_Structural_Similarity": -0.114455, "FDA_Category_D_Weighted_Contribution": 0.69599, "FDA_Category_D_Top_Rank": 0.00880533, "FDA_Category_X_L1000_Similarity": 1.56563, "FDA_Category_X_Structural_Similarity": -0.686615, "FDA_Category_X_Weighted_Contribution": -0.0291551, "FDA_Category_X_Top_Rank": -0.0426069, "FDA_Category_D_and_X_L1000_Similarity": 1.83584, "FDA_Category_D_and_X_Structural_Similarity": -0.461339, "FDA_Category_D_and_X_Weighted_Contribution": 0.408239, "FDA_Category_D_and_X_Top_Rank": 0.0405028, "Placenta_Crossing_L1000_Similarity": 1.20149, "Placenta_Crossing_Structural_Similarity": -0.774612, "Placenta_Crossing_Weighted_Contribution": -0.279493, "Placenta_Crossing_Top_Rank": -0.0616902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1O)O)O)C(=NO)N", "InChI_key": "MSLJYSGFUMYUDX-UHFFFAOYSA-N" } }, "CID:73453": { "type": "Drug", "properties": { "id": "CID:73453", "label": "ergocornine", "lsm": "LSM-2437", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73453", "FDA_Category_D_L1000_Similarity": 0.364903, "FDA_Category_D_Structural_Similarity": 0.576699, "FDA_Category_D_Weighted_Contribution": 0.675418, "FDA_Category_D_Top_Rank": -0.068266, "FDA_Category_X_L1000_Similarity": 0.543791, "FDA_Category_X_Structural_Similarity": 4.10974, "FDA_Category_X_Weighted_Contribution": 3.93476, "FDA_Category_X_Top_Rank": 0.61509, "FDA_Category_D_and_X_L1000_Similarity": 0.479688, "FDA_Category_D_and_X_Structural_Similarity": 2.67533, "FDA_Category_D_and_X_Weighted_Contribution": 2.78504, "FDA_Category_D_and_X_Top_Rank": 0.130365, "Placenta_Crossing_L1000_Similarity": 0.45088, "Placenta_Crossing_Structural_Similarity": 0.0315246, "Placenta_Crossing_Weighted_Contribution": 0.107369, "Placenta_Crossing_Top_Rank": -0.0816549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O", "InChI_key": "UJYGDMFEEDNVBF-OGGGUQDZSA-N" } }, "CID:73707364": { "type": "Drug", "properties": { "id": "CID:73707364", "label": "i-212148", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707364", "FDA_Category_D_L1000_Similarity": 0.770381, "FDA_Category_X_L1000_Similarity": -0.259596, "FDA_Category_D_and_X_L1000_Similarity": 0.585251, "Placenta_Crossing_L1000_Similarity": 0.518689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C2C(C(C(O1)CO)OC(=O)C3=C(C=CC=C3OC)OC)OC(=O)C(CC=CCC(C(=O)O2)CC4=CC=CC=C4)CC5=CC=CC=C5", "InChI_key": "LCALJMSKMJRIPU-HWFRPURRSA-N" } }, "CID:73707370": { "type": "Drug", "properties": { "id": "CID:73707370", "label": "tul-xviii076", "lsm": "LSM-29346", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707370", "FDA_Category_D_L1000_Similarity": 1.76412, "FDA_Category_D_Structural_Similarity": -0.106213, "FDA_Category_D_Weighted_Contribution": 0.821682, "FDA_Category_D_Top_Rank": 0.0604685, "FDA_Category_X_L1000_Similarity": 1.65327, "FDA_Category_X_Structural_Similarity": -0.438453, "FDA_Category_X_Weighted_Contribution": 0.264981, "FDA_Category_X_Top_Rank": -0.0349474, "FDA_Category_D_and_X_L1000_Similarity": 2.02276, "FDA_Category_D_and_X_Structural_Similarity": -0.32089, "FDA_Category_D_and_X_Weighted_Contribution": 0.659991, "FDA_Category_D_and_X_Top_Rank": 0.104243, "Placenta_Crossing_L1000_Similarity": 2.00859, "Placenta_Crossing_Structural_Similarity": 2.04289, "Placenta_Crossing_Weighted_Contribution": 2.90561, "Placenta_Crossing_Top_Rank": 0.0460679, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCN(C1)C(=O)C2=CC=CC3=C2C=CN=C3", "InChI_key": "UBZQRRLIMHAJAE-UHFFFAOYSA-N" } }, "CID:73707390": { "type": "Drug", "properties": { "id": "CID:73707390", "label": "on-01910", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707390", "FDA_Category_D_L1000_Similarity": -0.742451, "FDA_Category_D_Structural_Similarity": 1.14423, "FDA_Category_D_Weighted_Contribution": 0.589684, "FDA_Category_D_Top_Rank": -0.0433153, "FDA_Category_X_L1000_Similarity": -0.0646404, "FDA_Category_X_Structural_Similarity": 1.05087, "FDA_Category_X_Weighted_Contribution": 0.952563, "FDA_Category_X_Top_Rank": -0.0380807, "FDA_Category_D_and_X_L1000_Similarity": -0.659633, "FDA_Category_D_and_X_Structural_Similarity": 1.47524, "FDA_Category_D_and_X_Weighted_Contribution": 0.968863, "FDA_Category_D_and_X_Top_Rank": -0.0175991, "Placenta_Crossing_L1000_Similarity": -0.855695, "Placenta_Crossing_Structural_Similarity": 1.35571, "Placenta_Crossing_Weighted_Contribution": 0.780483, "Placenta_Crossing_Top_Rank": -0.0296106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)NCC=O", "InChI_key": "POSHWWRILMRTTE-JXMROGBWSA-N" } }, "CID:73707411": { "type": "Drug", "properties": { "id": "CID:73707411", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707411", "label": "treprostinil", "FDA_Category_D_L1000_Similarity": 0.0112904, "FDA_Category_X_L1000_Similarity": 1.12777, "FDA_Category_D_and_X_L1000_Similarity": 0.352213, "Placenta_Crossing_L1000_Similarity": 0.991212, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(CCC1C(CC2C1CC3=CC=CC(=C3C2)C)O)O", "InChI_key": "OLMBOBKKGZYZNU-OYQUQHOHSA-N" } }, "CID:73707421": { "type": "Drug", "properties": { "id": "CID:73707421", "label": "ascorbic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707421", "FDA_Category_D_L1000_Similarity": 1.17273, "FDA_Category_D_Structural_Similarity": 0.216061, "FDA_Category_D_Weighted_Contribution": 0.795781, "FDA_Category_D_Top_Rank": -0.0512584, "FDA_Category_X_L1000_Similarity": -0.48727, "FDA_Category_X_Structural_Similarity": 0.391556, "FDA_Category_X_Weighted_Contribution": 0.0206732, "FDA_Category_X_Top_Rank": -0.0662144, "FDA_Category_D_and_X_L1000_Similarity": 0.862936, "FDA_Category_D_and_X_Structural_Similarity": 0.382772, "FDA_Category_D_and_X_Weighted_Contribution": 0.715928, "FDA_Category_D_and_X_Top_Rank": -0.0755175, "Placenta_Crossing_L1000_Similarity": 0.891651, "Placenta_Crossing_Structural_Similarity": -0.318187, "Placenta_Crossing_Weighted_Contribution": -0.0117942, "Placenta_Crossing_Top_Rank": -0.0738801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(=O)C(=O)O1)O)O", "InChI_key": "CYJPUZLKFAUFHF-YIXKLDTESA-N" } }, "CID:73707430": { "type": "Drug", "properties": { "id": "CID:73707430", "label": "gestrinone", "lsm": "LSM-5185", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707430", "IDG_ID": "1292", "FDA_Category_D_L1000_Similarity": -0.501053, "FDA_Category_D_Structural_Similarity": 0.626343, "FDA_Category_D_Weighted_Contribution": 0.204007, "FDA_Category_D_Top_Rank": -0.0665793, "FDA_Category_X_L1000_Similarity": 0.166378, "FDA_Category_X_Structural_Similarity": 3.58171, "FDA_Category_X_Weighted_Contribution": 3.53483, "FDA_Category_X_Top_Rank": 0.385895, "FDA_Category_D_and_X_L1000_Similarity": -0.381387, "FDA_Category_D_and_X_Structural_Similarity": 2.42981, "FDA_Category_D_and_X_Weighted_Contribution": 2.13021, "FDA_Category_D_and_X_Top_Rank": 0.0949512, "Placenta_Crossing_L1000_Similarity": 0.967866, "Placenta_Crossing_Structural_Similarity": 1.41531, "Placenta_Crossing_Weighted_Contribution": 1.83484, "Placenta_Crossing_Top_Rank": -0.0254489, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O", "InChI_key": "OXHNQTSIKGHVBH-WVVQBRDUSA-N" } }, "CID:73707462": { "type": "Drug", "properties": { "id": "CID:73707462", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707462", "label": "Alfadolone", "FDA_Category_D_L1000_Similarity": 1.76317, "FDA_Category_D_Structural_Similarity": -0.470674, "FDA_Category_D_Weighted_Contribution": 0.435589, "FDA_Category_D_Top_Rank": 0.0595416, "FDA_Category_X_L1000_Similarity": 1.13518, "FDA_Category_X_Structural_Similarity": 1.58554, "FDA_Category_X_Weighted_Contribution": 2.22326, "FDA_Category_X_Top_Rank": -0.00338553, "FDA_Category_D_and_X_L1000_Similarity": 1.86461, "FDA_Category_D_and_X_Structural_Similarity": 0.481969, "FDA_Category_D_and_X_Weighted_Contribution": 1.41998, "FDA_Category_D_and_X_Top_Rank": 0.0488573, "Placenta_Crossing_L1000_Similarity": 1.41382, "Placenta_Crossing_Structural_Similarity": -0.304612, "Placenta_Crossing_Weighted_Contribution": 0.255868, "Placenta_Crossing_Top_Rank": -0.0472433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707514": { "type": "Drug", "properties": { "id": "CID:73707514", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707514", "label": "Atractyloside", "FDA_Category_D_L1000_Similarity": -0.127403, "FDA_Category_D_Structural_Similarity": 0.860136, "FDA_Category_D_Weighted_Contribution": 0.670257, "FDA_Category_D_Top_Rank": -0.058164, "FDA_Category_X_L1000_Similarity": 0.315359, "FDA_Category_X_Structural_Similarity": -0.347215, "FDA_Category_X_Weighted_Contribution": -0.297022, "FDA_Category_X_Top_Rank": -0.0847726, "FDA_Category_D_and_X_L1000_Similarity": -0.0140615, "FDA_Category_D_and_X_Structural_Similarity": 0.495346, "FDA_Category_D_and_X_Weighted_Contribution": 0.327778, "FDA_Category_D_and_X_Top_Rank": -0.0740146, "Placenta_Crossing_L1000_Similarity": 0.208171, "Placenta_Crossing_Structural_Similarity": -0.164582, "Placenta_Crossing_Weighted_Contribution": -0.187105, "Placenta_Crossing_Top_Rank": -0.0854183, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707535": { "type": "Drug", "properties": { "id": "CID:73707535", "label": "BG-1006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707535", "FDA_Category_D_L1000_Similarity": -0.259124, "FDA_Category_D_Structural_Similarity": 1.47881, "FDA_Category_D_Weighted_Contribution": 1.25791, "FDA_Category_D_Top_Rank": -0.0193015, "FDA_Category_X_L1000_Similarity": -1.00659, "FDA_Category_X_Structural_Similarity": -0.25314, "FDA_Category_X_Weighted_Contribution": -0.760426, "FDA_Category_X_Top_Rank": -0.0855632, "FDA_Category_D_and_X_L1000_Similarity": -0.529048, "FDA_Category_D_and_X_Structural_Similarity": 1.03716, "FDA_Category_D_and_X_Weighted_Contribution": 0.584808, "FDA_Category_D_and_X_Top_Rank": -0.0507971, "Placenta_Crossing_L1000_Similarity": -0.790636, "Placenta_Crossing_Structural_Similarity": 0.263195, "Placenta_Crossing_Weighted_Contribution": -0.256095, "Placenta_Crossing_Top_Rank": -0.076107, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707538": { "type": "Drug", "properties": { "id": "CID:73707538", "label": "BG-1009", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707538", "FDA_Category_D_L1000_Similarity": -0.333708, "FDA_Category_D_Structural_Similarity": 0.194146, "FDA_Category_D_Weighted_Contribution": -0.114569, "FDA_Category_D_Top_Rank": -0.0800884, "FDA_Category_X_L1000_Similarity": -0.393609, "FDA_Category_X_Structural_Similarity": 0.244029, "FDA_Category_X_Weighted_Contribution": -0.0772605, "FDA_Category_X_Top_Rank": -0.0717309, "FDA_Category_D_and_X_L1000_Similarity": -0.407191, "FDA_Category_D_and_X_Structural_Similarity": 0.285773, "FDA_Category_D_and_X_Weighted_Contribution": -0.0816236, "FDA_Category_D_and_X_Top_Rank": -0.0797212, "Placenta_Crossing_L1000_Similarity": -0.858581, "Placenta_Crossing_Structural_Similarity": 0.0612855, "Placenta_Crossing_Weighted_Contribution": -0.453002, "Placenta_Crossing_Top_Rank": -0.0809096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707544": { "type": "Drug", "properties": { "id": "CID:73707544", "label": "BG-1027", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707544", "FDA_Category_D_L1000_Similarity": 0.603149, "FDA_Category_D_Structural_Similarity": 1.7731, "FDA_Category_D_Weighted_Contribution": 2.11077, "FDA_Category_D_Top_Rank": 0.0160046, "FDA_Category_X_L1000_Similarity": -0.578807, "FDA_Category_X_Structural_Similarity": 0.0967773, "FDA_Category_X_Weighted_Contribution": -0.30012, "FDA_Category_X_Top_Rank": -0.077198, "FDA_Category_D_and_X_L1000_Similarity": 0.344145, "FDA_Category_D_and_X_Structural_Similarity": 1.45956, "FDA_Category_D_and_X_Weighted_Contribution": 1.55303, "FDA_Category_D_and_X_Top_Rank": -0.0190981, "Placenta_Crossing_L1000_Similarity": 0.0234692, "Placenta_Crossing_Structural_Similarity": 0.438398, "Placenta_Crossing_Weighted_Contribution": 0.293295, "Placenta_Crossing_Top_Rank": -0.071427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707550": { "type": "Drug", "properties": { "id": "CID:73707550", "label": "BG-1026", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707550", "FDA_Category_D_L1000_Similarity": -0.332076, "FDA_Category_D_Structural_Similarity": 1.55277, "FDA_Category_D_Weighted_Contribution": 1.29212, "FDA_Category_D_Top_Rank": -0.0111065, "FDA_Category_X_L1000_Similarity": -1.00847, "FDA_Category_X_Structural_Similarity": -0.202955, "FDA_Category_X_Weighted_Contribution": -0.723908, "FDA_Category_X_Top_Rank": -0.084643, "FDA_Category_D_and_X_L1000_Similarity": -0.592501, "FDA_Category_D_and_X_Structural_Similarity": 1.12294, "FDA_Category_D_and_X_Weighted_Contribution": 0.636879, "FDA_Category_D_and_X_Top_Rank": -0.0443931, "Placenta_Crossing_L1000_Similarity": -0.330269, "Placenta_Crossing_Structural_Similarity": 0.291776, "Placenta_Crossing_Weighted_Contribution": -0.0210203, "Placenta_Crossing_Top_Rank": -0.0751958, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707560": { "type": "Drug", "properties": { "id": "CID:73707560", "label": "DASB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707560", "FDA_Category_D_L1000_Similarity": -0.783543, "FDA_Category_D_Structural_Similarity": -0.267894, "FDA_Category_D_Weighted_Contribution": -0.70816, "FDA_Category_D_Top_Rank": -0.0907957, "FDA_Category_X_L1000_Similarity": 0.0836053, "FDA_Category_X_Structural_Similarity": -0.389768, "FDA_Category_X_Weighted_Contribution": -0.435789, "FDA_Category_X_Top_Rank": -0.0869689, "FDA_Category_D_and_X_L1000_Similarity": -0.650036, "FDA_Category_D_and_X_Structural_Similarity": -0.422948, "FDA_Category_D_and_X_Weighted_Contribution": -0.754338, "FDA_Category_D_and_X_Top_Rank": -0.093201, "Placenta_Crossing_L1000_Similarity": -0.583398, "Placenta_Crossing_Structural_Similarity": -0.870566, "Placenta_Crossing_Weighted_Contribution": -1.00183, "Placenta_Crossing_Top_Rank": -0.0910245, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707561": { "type": "Drug", "properties": { "id": "CID:73707561", "label": "desmethyl-DASB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707561", "FDA_Category_D_L1000_Similarity": -0.352144, "FDA_Category_D_Structural_Similarity": -0.624416, "FDA_Category_D_Weighted_Contribution": -0.78129, "FDA_Category_D_Top_Rank": -0.0945003, "FDA_Category_X_L1000_Similarity": -0.000239039, "FDA_Category_X_Structural_Similarity": -0.365582, "FDA_Category_X_Weighted_Contribution": -0.450901, "FDA_Category_X_Top_Rank": -0.0876014, "FDA_Category_D_and_X_L1000_Similarity": -0.303639, "FDA_Category_D_and_X_Structural_Similarity": -0.692874, "FDA_Category_D_and_X_Weighted_Contribution": -0.805244, "FDA_Category_D_and_X_Top_Rank": -0.0942135, "Placenta_Crossing_L1000_Similarity": 0.00499197, "Placenta_Crossing_Structural_Similarity": -0.68951, "Placenta_Crossing_Weighted_Contribution": -0.69022, "Placenta_Crossing_Top_Rank": -0.0883283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707600": { "type": "Drug", "properties": { "id": "CID:73707600", "label": "APEC", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707600", "FDA_Category_D_L1000_Similarity": -1.46989, "FDA_Category_D_Structural_Similarity": 0.492948, "FDA_Category_D_Weighted_Contribution": -0.432339, "FDA_Category_D_Top_Rank": -0.071265, "FDA_Category_X_L1000_Similarity": -0.65165, "FDA_Category_X_Structural_Similarity": 0.131007, "FDA_Category_X_Weighted_Contribution": -0.302111, "FDA_Category_X_Top_Rank": -0.0760034, "FDA_Category_D_and_X_L1000_Similarity": -1.46497, "FDA_Category_D_and_X_Structural_Similarity": 0.46195, "FDA_Category_D_and_X_Weighted_Contribution": -0.437182, "FDA_Category_D_and_X_Top_Rank": -0.0751701, "Placenta_Crossing_L1000_Similarity": -0.607433, "Placenta_Crossing_Structural_Similarity": -0.254881, "Placenta_Crossing_Weighted_Contribution": -0.599416, "Placenta_Crossing_Top_Rank": -0.0867831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:753": { "type": "Drug", "properties": { "id": "CID:753", "label": "glycerin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/753", "FDA_Category_D_L1000_Similarity": 2.27963, "FDA_Category_D_Structural_Similarity": -0.950956, "FDA_Category_D_Weighted_Contribution": 0.25478, "FDA_Category_D_Top_Rank": 0.428569, "FDA_Category_X_L1000_Similarity": 2.02523, "FDA_Category_X_Structural_Similarity": -0.569062, "FDA_Category_X_Weighted_Contribution": 0.323014, "FDA_Category_X_Top_Rank": 0.0154109, "FDA_Category_D_and_X_L1000_Similarity": 2.5801, "FDA_Category_D_and_X_Structural_Similarity": -1.06185, "FDA_Category_D_and_X_Weighted_Contribution": 0.226266, "FDA_Category_D_and_X_Top_Rank": 0.642649, "Placenta_Crossing_L1000_Similarity": 1.79093, "Placenta_Crossing_Structural_Similarity": -0.986566, "Placenta_Crossing_Weighted_Contribution": -0.20389, "Placenta_Crossing_Top_Rank": -0.00163365, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(CO)O)O", "InChI_key": "PEDCQBHIVMGVHV-UHFFFAOYSA-N" } }, "CID:7638": { "type": "Drug", "properties": { "id": "CID:7638", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7638", "label": "monobenzone", "FDA_Category_D_L1000_Similarity": -1.96268, "FDA_Category_D_Structural_Similarity": -0.350205, "FDA_Category_D_Weighted_Contribution": -1.18166, "FDA_Category_D_Top_Rank": -0.0922145, "FDA_Category_X_L1000_Similarity": -0.423482, "FDA_Category_X_Structural_Similarity": -0.0883361, "FDA_Category_X_Weighted_Contribution": -0.394792, "FDA_Category_X_Top_Rank": -0.0820083, "FDA_Category_D_and_X_L1000_Similarity": -1.82047, "FDA_Category_D_and_X_Structural_Similarity": -0.325628, "FDA_Category_D_and_X_Weighted_Contribution": -1.09379, "FDA_Category_D_and_X_Top_Rank": -0.0920665, "Placenta_Crossing_L1000_Similarity": -2.13065, "Placenta_Crossing_Structural_Similarity": -0.285854, "Placenta_Crossing_Weighted_Contribution": -1.11379, "Placenta_Crossing_Top_Rank": -0.0872687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)COC2=CC=C(C=C2)O", "InChI_key": "VYQNWZOUAUKGHI-UHFFFAOYSA-N" } }, "CID:8029": { "type": "Drug", "properties": { "id": "CID:8029", "label": "furan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8029", "FDA_Category_D_L1000_Similarity": 0.954063, "FDA_Category_D_Structural_Similarity": -0.738267, "FDA_Category_D_Weighted_Contribution": -0.273561, "FDA_Category_D_Top_Rank": -0.0682448, "FDA_Category_X_L1000_Similarity": 0.445524, "FDA_Category_X_Structural_Similarity": -0.569916, "FDA_Category_X_Weighted_Contribution": -0.434972, "FDA_Category_X_Top_Rank": -0.0831829, "FDA_Category_D_and_X_L1000_Similarity": 0.957713, "FDA_Category_D_and_X_Structural_Similarity": -0.893497, "FDA_Category_D_and_X_Weighted_Contribution": -0.435083, "FDA_Category_D_and_X_Top_Rank": -0.0713902, "Placenta_Crossing_L1000_Similarity": 1.49705, "Placenta_Crossing_Structural_Similarity": -0.691073, "Placenta_Crossing_Weighted_Contribution": -0.0724953, "Placenta_Crossing_Top_Rank": -0.0401027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:8357": { "type": "Drug", "properties": { "id": "CID:8357", "label": "eudesmic-acid", "lsm": "LSM-2347", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8357", "FDA_Category_D_L1000_Similarity": 0.960778, "FDA_Category_D_Structural_Similarity": -0.279519, "FDA_Category_D_Weighted_Contribution": 0.15493, "FDA_Category_D_Top_Rank": -0.0675752, "FDA_Category_X_L1000_Similarity": -0.189912, "FDA_Category_X_Structural_Similarity": 0.408738, "FDA_Category_X_Weighted_Contribution": 0.187451, "FDA_Category_X_Top_Rank": -0.0654135, "FDA_Category_D_and_X_L1000_Similarity": 0.77053, "FDA_Category_D_and_X_Structural_Similarity": -0.00130453, "FDA_Category_D_and_X_Weighted_Contribution": 0.271519, "FDA_Category_D_and_X_Top_Rank": -0.0787852, "Placenta_Crossing_L1000_Similarity": 1.4569, "Placenta_Crossing_Structural_Similarity": 0.921911, "Placenta_Crossing_Weighted_Contribution": 1.57603, "Placenta_Crossing_Top_Rank": -0.0440698, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C(=O)O", "InChI_key": "SJSOFNCYXJUNBT-UHFFFAOYSA-N" } }, "CID:8400": { "type": "Drug", "properties": { "id": "CID:8400", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8400", "label": "benzoin", "FDA_Category_D_L1000_Similarity": 0.406555, "FDA_Category_D_Structural_Similarity": -0.970996, "FDA_Category_D_Weighted_Contribution": -0.712608, "FDA_Category_D_Top_Rank": -0.0870915, "FDA_Category_X_L1000_Similarity": 0.401083, "FDA_Category_X_Structural_Similarity": -0.750752, "FDA_Category_X_Weighted_Contribution": -0.602323, "FDA_Category_X_Top_Rank": -0.0837637, "FDA_Category_D_and_X_L1000_Similarity": 0.47226, "FDA_Category_D_and_X_Structural_Similarity": -1.17579, "FDA_Category_D_and_X_Weighted_Contribution": -0.83668, "FDA_Category_D_and_X_Top_Rank": -0.0861999, "Placenta_Crossing_L1000_Similarity": 0.812572, "Placenta_Crossing_Structural_Similarity": -1.08983, "Placenta_Crossing_Weighted_Contribution": -0.6835, "Placenta_Crossing_Top_Rank": -0.0759786, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O", "InChI_key": "ISAOCJYIOMOJEB-UHFFFAOYSA-N" } }, "CID:90843500": { "type": "Drug", "properties": { "id": "CID:90843500", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID90843500", "label": "Rolitetracycline", "FDA_Category_D_L1000_Similarity": 1.1545, "FDA_Category_D_Structural_Similarity": 2.36329, "FDA_Category_D_Weighted_Contribution": 2.94494, "FDA_Category_D_Top_Rank": 0.110339, "FDA_Category_X_L1000_Similarity": 0.650038, "FDA_Category_X_Structural_Similarity": -0.647647, "FDA_Category_X_Weighted_Contribution": -0.413887, "FDA_Category_X_Top_Rank": -0.0801992, "FDA_Category_D_and_X_L1000_Similarity": 1.19259, "FDA_Category_D_and_X_Structural_Similarity": 1.52631, "FDA_Category_D_and_X_Weighted_Contribution": 2.1094, "FDA_Category_D_and_X_Top_Rank": -0.0120473, "Placenta_Crossing_L1000_Similarity": 0.981425, "Placenta_Crossing_Structural_Similarity": 0.417844, "Placenta_Crossing_Weighted_Contribution": 0.774234, "Placenta_Crossing_Top_Rank": -0.0710063, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:91486": { "type": "Drug", "properties": { "id": "CID:91486", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID91486", "label": "Safingol", "FDA_Category_D_L1000_Similarity": 0.886104, "FDA_Category_D_Structural_Similarity": 1.54041, "FDA_Category_D_Weighted_Contribution": 2.0423, "FDA_Category_D_Top_Rank": -0.0122714, "FDA_Category_X_L1000_Similarity": 0.899537, "FDA_Category_X_Structural_Similarity": -0.707141, "FDA_Category_X_Weighted_Contribution": -0.357059, "FDA_Category_X_Top_Rank": -0.07442, "FDA_Category_D_and_X_L1000_Similarity": 1.037, "FDA_Category_D_and_X_Structural_Similarity": 0.841074, "FDA_Category_D_and_X_Weighted_Contribution": 1.30801, "FDA_Category_D_and_X_Top_Rank": -0.0616456, "Placenta_Crossing_L1000_Similarity": 1.09022, "Placenta_Crossing_Structural_Similarity": -1.04419, "Placenta_Crossing_Weighted_Contribution": -0.544775, "Placenta_Crossing_Top_Rank": -0.0668996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:92727": { "type": "Drug", "properties": { "id": "CID:92727", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/92727", "label": "lopinavir", "ref": "LSM-6027", "FDA_Category_D_L1000_Similarity": 0.276046, "FDA_Category_D_Structural_Similarity": 0.842357, "FDA_Category_D_Weighted_Contribution": 0.905166, "FDA_Category_D_Top_Rank": -0.0588915, "FDA_Category_X_L1000_Similarity": 1.27464, "FDA_Category_X_Structural_Similarity": 1.91633, "FDA_Category_X_Weighted_Contribution": 2.62987, "FDA_Category_X_Top_Rank": 0.0307605, "FDA_Category_D_and_X_L1000_Similarity": 0.625038, "FDA_Category_D_and_X_Structural_Similarity": 1.70264, "FDA_Category_D_and_X_Weighted_Contribution": 1.96803, "FDA_Category_D_and_X_Top_Rank": 0.00408069, "Placenta_Crossing_L1000_Similarity": 1.20274, "Placenta_Crossing_Structural_Similarity": 0.905873, "Placenta_Crossing_Weighted_Contribution": 1.42057, "Placenta_Crossing_Top_Rank": -0.0548339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O", "InChI_key": "KJHKTHWMRKYKJE-SUGCFTRWSA-N" } }, "CID:92766": { "type": "Drug", "properties": { "id": "CID:92766", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID92766", "label": "corynanthine", "FDA_Category_D_L1000_Similarity": 1.61809, "FDA_Category_D_Structural_Similarity": 2.65977, "FDA_Category_D_Weighted_Contribution": 3.35256, "FDA_Category_D_Top_Rank": 0.159077, "FDA_Category_X_L1000_Similarity": 1.30728, "FDA_Category_X_Structural_Similarity": -0.0490967, "FDA_Category_X_Weighted_Contribution": 0.494287, "FDA_Category_X_Top_Rank": -0.0586633, "FDA_Category_D_and_X_L1000_Similarity": 1.79183, "FDA_Category_D_and_X_Structural_Similarity": 2.0846, "FDA_Category_D_and_X_Weighted_Contribution": 2.89939, "FDA_Category_D_and_X_Top_Rank": 0.0449423, "Placenta_Crossing_L1000_Similarity": 2.07081, "Placenta_Crossing_Structural_Similarity": 3.10689, "Placenta_Crossing_Weighted_Contribution": 3.60312, "Placenta_Crossing_Top_Rank": 0.22019, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O", "InChI_key": "BLGXFZZNTVWLAY-DKJBZYCGSA-N" } }, "CID:9330": { "type": "Drug", "properties": { "id": "CID:9330", "label": "benactyzine", "lsm": "LSM-5908", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9330", "FDA_Category_D_L1000_Similarity": -0.0205012, "FDA_Category_D_Structural_Similarity": -0.379315, "FDA_Category_D_Weighted_Contribution": -0.451508, "FDA_Category_D_Top_Rank": -0.0923539, "FDA_Category_X_L1000_Similarity": -0.773318, "FDA_Category_X_Structural_Similarity": -0.4598, "FDA_Category_X_Weighted_Contribution": -0.825292, "FDA_Category_X_Top_Rank": -0.0892121, "FDA_Category_D_and_X_L1000_Similarity": -0.252513, "FDA_Category_D_and_X_Structural_Similarity": -0.549174, "FDA_Category_D_and_X_Weighted_Contribution": -0.687134, "FDA_Category_D_and_X_Top_Rank": -0.0939464, "Placenta_Crossing_L1000_Similarity": 0.357725, "Placenta_Crossing_Structural_Similarity": -0.469485, "Placenta_Crossing_Weighted_Contribution": -0.382857, "Placenta_Crossing_Top_Rank": -0.0849694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O", "InChI_key": "IVQOFBKHQCTVQV-UHFFFAOYSA-N" } }, "CID:9642": { "type": "Drug", "properties": { "id": "CID:9642", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9642", "label": "fluocinonide", "FDA_Category_D_L1000_Similarity": 0.34724, "FDA_Category_D_Structural_Similarity": 0.267106, "FDA_Category_D_Weighted_Contribution": 0.341991, "FDA_Category_D_Top_Rank": -0.0781104, "FDA_Category_X_L1000_Similarity": -1.03956, "FDA_Category_X_Structural_Similarity": 1.29992, "FDA_Category_X_Weighted_Contribution": 0.685268, "FDA_Category_X_Top_Rank": -0.020211, "FDA_Category_D_and_X_L1000_Similarity": -0.016361, "FDA_Category_D_and_X_Structural_Similarity": 0.913436, "FDA_Category_D_and_X_Weighted_Contribution": 0.755584, "FDA_Category_D_and_X_Top_Rank": -0.0572549, "Placenta_Crossing_L1000_Similarity": 0.334234, "Placenta_Crossing_Structural_Similarity": 0.0245222, "Placenta_Crossing_Weighted_Contribution": 0.0443922, "Placenta_Crossing_Top_Rank": -0.0818276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C", "InChI_key": "WJOHZNCJWYWUJD-IUGZLZTKSA-N" } }, "CID:9651": { "type": "Drug", "properties": { "id": "CID:9651", "label": "galantamine", "lsm": "LSM-5604", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9651", "IDG_ID": "1272", "FDA_Category_D_L1000_Similarity": 1.37162, "FDA_Category_D_Structural_Similarity": 0.670586, "FDA_Category_D_Weighted_Contribution": 1.41834, "FDA_Category_D_Top_Rank": -0.0291321, "FDA_Category_X_L1000_Similarity": 1.74249, "FDA_Category_X_Structural_Similarity": 0.878932, "FDA_Category_X_Weighted_Contribution": 1.78404, "FDA_Category_X_Top_Rank": -0.0261839, "FDA_Category_D_and_X_L1000_Similarity": 1.71153, "FDA_Category_D_and_X_Structural_Similarity": 1.00652, "FDA_Category_D_and_X_Weighted_Contribution": 1.8796, "FDA_Category_D_and_X_Top_Rank": 0.0134241, "Placenta_Crossing_L1000_Similarity": 1.4435, "Placenta_Crossing_Structural_Similarity": 0.203437, "Placenta_Crossing_Weighted_Contribution": 0.795513, "Placenta_Crossing_Top_Rank": -0.0449785, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O", "InChI_key": "ASUTZQLVASHGKV-JDFRZJQESA-N" } }, "CID:9795278": { "type": "Drug", "properties": { "id": "CID:9795278", "label": "pnu-282987", "lsm": "LSM-2634", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9795278", "FDA_Category_D_L1000_Similarity": 0.000271408, "FDA_Category_D_Structural_Similarity": -0.691982, "FDA_Category_D_Weighted_Contribution": -0.682917, "FDA_Category_D_Top_Rank": -0.0921582, "FDA_Category_X_L1000_Similarity": 1.18784, "FDA_Category_X_Structural_Similarity": -0.69523, "FDA_Category_X_Weighted_Contribution": -0.216451, "FDA_Category_X_Top_Rank": -0.064796, "FDA_Category_D_and_X_L1000_Similarity": 0.36096, "FDA_Category_D_and_X_Structural_Similarity": -0.924378, "FDA_Category_D_and_X_Weighted_Contribution": -0.709194, "FDA_Category_D_and_X_Top_Rank": -0.0880591, "Placenta_Crossing_L1000_Similarity": 0.825299, "Placenta_Crossing_Structural_Similarity": -0.82465, "Placenta_Crossing_Weighted_Contribution": -0.478264, "Placenta_Crossing_Top_Rank": -0.0756226, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)Cl", "InChI_key": "WECKJONDRAUFDD-ZDUSSCGKSA-N" } }, "CID:9810884": { "type": "Drug", "properties": { "id": "CID:9810884", "label": "y-39983", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9810884", "FDA_Category_D_L1000_Similarity": 1.83358, "FDA_Category_D_Structural_Similarity": -0.31756, "FDA_Category_D_Weighted_Contribution": 0.639054, "FDA_Category_D_Top_Rank": 0.085762, "FDA_Category_X_L1000_Similarity": 2.13073, "FDA_Category_X_Structural_Similarity": -0.727314, "FDA_Category_X_Weighted_Contribution": 0.213326, "FDA_Category_X_Top_Rank": 0.0365099, "FDA_Category_D_and_X_L1000_Similarity": 2.22764, "FDA_Category_D_and_X_Structural_Similarity": -0.644508, "FDA_Category_D_and_X_Weighted_Contribution": 0.44512, "FDA_Category_D_and_X_Top_Rank": 0.234712, "Placenta_Crossing_L1000_Similarity": 2.54022, "Placenta_Crossing_Structural_Similarity": -0.836071, "Placenta_Crossing_Weighted_Contribution": 0.295587, "Placenta_Crossing_Top_Rank": 0.311884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N", "InChI_key": "JTVBXQAYBIJXRP-SNVBAGLBSA-N" } }, "CID:9818682": { "type": "Drug", "properties": { "id": "CID:9818682", "label": "UK-383367", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9818682", "FDA_Category_D_L1000_Similarity": 0.691755, "FDA_Category_D_Structural_Similarity": 0.0131149, "FDA_Category_D_Weighted_Contribution": 0.289136, "FDA_Category_D_Top_Rank": -0.0798926, "FDA_Category_X_L1000_Similarity": 0.677051, "FDA_Category_X_Structural_Similarity": 2.22205, "FDA_Category_X_Weighted_Contribution": 2.63633, "FDA_Category_X_Top_Rank": 0.068783, "FDA_Category_D_and_X_L1000_Similarity": 0.801916, "FDA_Category_D_and_X_Structural_Similarity": 1.20942, "FDA_Category_D_and_X_Weighted_Contribution": 1.55987, "FDA_Category_D_and_X_Top_Rank": -0.0384555, "Placenta_Crossing_L1000_Similarity": 0.780498, "Placenta_Crossing_Structural_Similarity": -0.233072, "Placenta_Crossing_Weighted_Contribution": 0.0150369, "Placenta_Crossing_Top_Rank": -0.0768814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9820766": { "type": "Drug", "properties": { "id": "CID:9820766", "label": "pd-160170", "lsm": "LSM-2247", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9820766", "FDA_Category_D_L1000_Similarity": -1.27591, "FDA_Category_D_Structural_Similarity": -0.00151941, "FDA_Category_D_Weighted_Contribution": -0.72386, "FDA_Category_D_Top_Rank": -0.0852537, "FDA_Category_X_L1000_Similarity": -0.496238, "FDA_Category_X_Structural_Similarity": -0.487877, "FDA_Category_X_Weighted_Contribution": -0.745202, "FDA_Category_X_Top_Rank": -0.0896201, "FDA_Category_D_and_X_L1000_Similarity": -1.25055, "FDA_Category_D_and_X_Structural_Similarity": -0.264462, "FDA_Category_D_and_X_Weighted_Contribution": -0.871584, "FDA_Category_D_and_X_Top_Rank": -0.0912018, "Placenta_Crossing_L1000_Similarity": -0.840161, "Placenta_Crossing_Structural_Similarity": -0.0362083, "Placenta_Crossing_Weighted_Contribution": -0.522591, "Placenta_Crossing_Top_Rank": -0.0829997, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC=CC=C1S(=O)(=O)C2=C(C3=C(C(=C2)N)N=CC=C3)[N+](=O)[O-]", "InChI_key": "YUVNGBZROXQYQH-UHFFFAOYSA-N" } }, "CID:9830191": { "type": "Drug", "properties": { "id": "CID:9830191", "label": "tipranavir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9830191", "FDA_Category_D_L1000_Similarity": 0.863905, "FDA_Category_D_Structural_Similarity": -0.0830946, "FDA_Category_D_Weighted_Contribution": 0.293768, "FDA_Category_D_Top_Rank": -0.0730511, "FDA_Category_X_L1000_Similarity": 1.19863, "FDA_Category_X_Structural_Similarity": -0.0283937, "FDA_Category_X_Weighted_Contribution": 0.458027, "FDA_Category_X_Top_Rank": -0.0642807, "FDA_Category_D_and_X_L1000_Similarity": 1.1087, "FDA_Category_D_and_X_Structural_Similarity": -0.0812744, "FDA_Category_D_and_X_Weighted_Contribution": 0.380521, "FDA_Category_D_and_X_Top_Rank": -0.06203, "Placenta_Crossing_L1000_Similarity": 1.16734, "Placenta_Crossing_Structural_Similarity": -0.125877, "Placenta_Crossing_Weighted_Contribution": 0.309286, "Placenta_Crossing_Top_Rank": -0.0635714, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:9840324": { "type": "Drug", "properties": { "id": "CID:9840324", "label": "etomoxir", "lsm": "LSM-6240", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9840324", "FDA_Category_D_L1000_Similarity": 0.273593, "FDA_Category_D_Structural_Similarity": 0.193576, "FDA_Category_D_Weighted_Contribution": 0.224696, "FDA_Category_D_Top_Rank": -0.0801253, "FDA_Category_X_L1000_Similarity": -0.25376, "FDA_Category_X_Structural_Similarity": 0.0136024, "FDA_Category_X_Weighted_Contribution": -0.227997, "FDA_Category_X_Top_Rank": -0.0794214, "FDA_Category_D_and_X_L1000_Similarity": 0.158779, "FDA_Category_D_and_X_Structural_Similarity": 0.160984, "FDA_Category_D_and_X_Weighted_Contribution": 0.0968371, "FDA_Category_D_and_X_Top_Rank": -0.0825584, "Placenta_Crossing_L1000_Similarity": 0.124315, "Placenta_Crossing_Structural_Similarity": -0.835584, "Placenta_Crossing_Weighted_Contribution": -0.750414, "Placenta_Crossing_Top_Rank": -0.087336, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl", "InChI_key": "DZLOHEOHWICNIL-QGZVFWFLSA-N" } }, "CID:9867770": { "type": "Drug", "properties": { "id": "CID:9867770", "label": "jte-907", "lsm": "LSM-3400", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9867770", "FDA_Category_D_L1000_Similarity": -0.10589, "FDA_Category_D_Structural_Similarity": -0.592524, "FDA_Category_D_Weighted_Contribution": -0.65557, "FDA_Category_D_Top_Rank": -0.0930626, "FDA_Category_X_L1000_Similarity": -0.323049, "FDA_Category_X_Structural_Similarity": -0.618867, "FDA_Category_X_Weighted_Contribution": -0.777735, "FDA_Category_X_Top_Rank": -0.0893689, "FDA_Category_D_and_X_L1000_Similarity": -0.189391, "FDA_Category_D_and_X_Structural_Similarity": -0.804232, "FDA_Category_D_and_X_Weighted_Contribution": -0.836251, "FDA_Category_D_and_X_Top_Rank": -0.0935712, "Placenta_Crossing_L1000_Similarity": 0.15698, "Placenta_Crossing_Structural_Similarity": 0.251955, "Placenta_Crossing_Weighted_Contribution": 0.176302, "Placenta_Crossing_Top_Rank": -0.076457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC", "InChI_key": "GRAJFFFXJYFVOC-UHFFFAOYSA-N" } }, "CID:9872438": { "type": "Drug", "properties": { "id": "CID:9872438", "label": "ssr-69071", "lsm": "LSM-3634", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9872438", "FDA_Category_D_L1000_Similarity": -1.16581, "FDA_Category_D_Structural_Similarity": -0.448202, "FDA_Category_D_Weighted_Contribution": -0.975811, "FDA_Category_D_Top_Rank": -0.0935193, "FDA_Category_X_L1000_Similarity": -0.778039, "FDA_Category_X_Structural_Similarity": 0.900365, "FDA_Category_X_Weighted_Contribution": 0.393484, "FDA_Category_X_Top_Rank": -0.0455005, "FDA_Category_D_and_X_L1000_Similarity": -1.24123, "FDA_Category_D_and_X_Structural_Similarity": 0.130089, "FDA_Category_D_and_X_Weighted_Contribution": -0.596374, "FDA_Category_D_and_X_Top_Rank": -0.0832504, "Placenta_Crossing_L1000_Similarity": -1.69661, "Placenta_Crossing_Structural_Similarity": -0.184899, "Placenta_Crossing_Weighted_Contribution": -0.929131, "Placenta_Crossing_Top_Rank": -0.0857247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C2C(=CC(=C1)OC)S(=O)(=O)N(C2=O)COC3=CC(=O)N4C=CC=C(C4=N3)OCCN5CCCCC5", "InChI_key": "DRZXDZYWZSKFDL-UHFFFAOYSA-N" } }, "CID:9875401": { "type": "Drug", "properties": { "id": "CID:9875401", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9875401", "label": "rivaroxaban", "FDA_Category_D_L1000_Similarity": -0.447214, "FDA_Category_D_Structural_Similarity": 0.181574, "FDA_Category_D_Weighted_Contribution": -0.186044, "FDA_Category_D_Top_Rank": -0.0804524, "FDA_Category_X_L1000_Similarity": 0.784804, "FDA_Category_X_Structural_Similarity": -0.661585, "FDA_Category_X_Weighted_Contribution": -0.367458, "FDA_Category_X_Top_Rank": -0.0773009, "FDA_Category_D_and_X_L1000_Similarity": -0.147179, "FDA_Category_D_and_X_Structural_Similarity": -0.212871, "FDA_Category_D_and_X_Weighted_Contribution": -0.385592, "FDA_Category_D_and_X_Top_Rank": -0.0904513, "Placenta_Crossing_L1000_Similarity": 1.21792, "Placenta_Crossing_Structural_Similarity": 0.484555, "Placenta_Crossing_Weighted_Contribution": 0.973987, "Placenta_Crossing_Top_Rank": -0.0608795, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl", "InChI_key": "KGFYHTZWPPHNLQ-AWEZNQCLSA-N" } }, "CID:9883029": { "type": "Drug", "properties": { "id": "CID:9883029", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9883029", "label": "orteronel", "FDA_Category_D_L1000_Similarity": 0.34102, "FDA_Category_D_Structural_Similarity": -0.924407, "FDA_Category_D_Weighted_Contribution": -0.706713, "FDA_Category_D_Top_Rank": -0.0881228, "FDA_Category_X_L1000_Similarity": 1.57345, "FDA_Category_X_Structural_Similarity": -0.718259, "FDA_Category_X_Weighted_Contribution": -0.0560347, "FDA_Category_X_Top_Rank": -0.0418038, "FDA_Category_D_and_X_L1000_Similarity": 0.771802, "FDA_Category_D_and_X_Structural_Similarity": -1.12128, "FDA_Category_D_and_X_Weighted_Contribution": -0.685654, "FDA_Category_D_and_X_Top_Rank": -0.0787647, "Placenta_Crossing_L1000_Similarity": 1.00394, "Placenta_Crossing_Structural_Similarity": -1.10617, "Placenta_Crossing_Weighted_Contribution": -0.624616, "Placenta_Crossing_Top_Rank": -0.0702411, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O", "InChI_key": "OZPFIJIOIVJZMN-UHFFFAOYSA-N" } }, "CID:9884817": { "type": "Drug", "properties": { "id": "CID:9884817", "label": "gr-79236", "lsm": "LSM-2899", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9884817", "FDA_Category_D_L1000_Similarity": 0.769993, "FDA_Category_D_Structural_Similarity": 2.13118, "FDA_Category_D_Weighted_Contribution": 2.55246, "FDA_Category_D_Top_Rank": 0.0708794, "FDA_Category_X_L1000_Similarity": 0.561528, "FDA_Category_X_Structural_Similarity": 0.256634, "FDA_Category_X_Weighted_Contribution": 0.421833, "FDA_Category_X_Top_Rank": -0.0713574, "FDA_Category_D_and_X_L1000_Similarity": 0.834275, "FDA_Category_D_and_X_Structural_Similarity": 1.83002, "FDA_Category_D_and_X_Weighted_Contribution": 2.20961, "FDA_Category_D_and_X_Top_Rank": 0.0180927, "Placenta_Crossing_L1000_Similarity": 1.31442, "Placenta_Crossing_Structural_Similarity": -0.060664, "Placenta_Crossing_Weighted_Contribution": 0.450798, "Placenta_Crossing_Top_Rank": -0.0545526, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C(C1)O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O", "InChI_key": "GYWXTRVEUURNEW-TVDBPQCTSA-N" } }, "CID:9889366": { "type": "Drug", "properties": { "id": "CID:9889366", "label": "mibampator", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9889366", "FDA_Category_D_L1000_Similarity": -0.737303, "FDA_Category_D_Structural_Similarity": -0.923861, "FDA_Category_D_Weighted_Contribution": -1.10549, "FDA_Category_D_Top_Rank": -0.0958165, "FDA_Category_X_L1000_Similarity": 1.0695, "FDA_Category_X_Structural_Similarity": -0.610577, "FDA_Category_X_Weighted_Contribution": -0.192925, "FDA_Category_X_Top_Rank": -0.0691817, "FDA_Category_D_and_X_L1000_Similarity": -0.310782, "FDA_Category_D_and_X_Structural_Similarity": -1.06275, "FDA_Category_D_and_X_Weighted_Contribution": -1.03392, "FDA_Category_D_and_X_Top_Rank": -0.0942608, "Placenta_Crossing_L1000_Similarity": 0.460258, "Placenta_Crossing_Structural_Similarity": -0.908193, "Placenta_Crossing_Weighted_Contribution": -0.681415, "Placenta_Crossing_Top_Rank": -0.0835759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C", "InChI_key": "ULRDYYKSPCRXAJ-KRWDZBQOSA-N" } }, "CID:9892554": { "type": "Drug", "properties": { "id": "CID:9892554", "label": "EMD-84", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9892554", "FDA_Category_D_L1000_Similarity": 1.56102, "FDA_Category_D_Structural_Similarity": 8.42725, "FDA_Category_D_Weighted_Contribution": 4.48989, "FDA_Category_D_Top_Rank": 5.63923, "FDA_Category_X_L1000_Similarity": -0.199507, "FDA_Category_X_Structural_Similarity": -0.355581, "FDA_Category_X_Weighted_Contribution": -0.525819, "FDA_Category_X_Top_Rank": -0.087463, "FDA_Category_D_and_X_L1000_Similarity": 1.28504, "FDA_Category_D_and_X_Structural_Similarity": 6.49695, "FDA_Category_D_and_X_Weighted_Contribution": 4.28929, "FDA_Category_D_and_X_Top_Rank": 2.91897, "Placenta_Crossing_L1000_Similarity": 0.830893, "Placenta_Crossing_Structural_Similarity": 1.94195, "Placenta_Crossing_Weighted_Contribution": 2.29357, "Placenta_Crossing_Top_Rank": 0.024737, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9893887": { "type": "Drug", "properties": { "id": "CID:9893887", "label": "l-368899", "lsm": "LSM-1559", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9893887", "FDA_Category_D_L1000_Similarity": -0.340098, "FDA_Category_D_Structural_Similarity": 0.637839, "FDA_Category_D_Weighted_Contribution": 0.3098, "FDA_Category_D_Top_Rank": -0.0662032, "FDA_Category_X_L1000_Similarity": 3.47935, "FDA_Category_X_Structural_Similarity": 1.29427, "FDA_Category_X_Weighted_Contribution": 3.06506, "FDA_Category_X_Top_Rank": 1.70843, "FDA_Category_D_and_X_L1000_Similarity": 0.763442, "FDA_Category_D_and_X_Structural_Similarity": 1.20465, "FDA_Category_D_and_X_Weighted_Contribution": 1.532, "FDA_Category_D_and_X_Top_Rank": -0.0389601, "Placenta_Crossing_L1000_Similarity": -0.241914, "Placenta_Crossing_Structural_Similarity": 1.74567, "Placenta_Crossing_Weighted_Contribution": 1.53535, "Placenta_Crossing_Top_Rank": 0.00403263, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4NC(=O)C(CCS(=O)(=O)C)N", "InChI_key": "MWIASLNTAGRGGA-WVJGRJQASA-N" } }, "CID:9904": { "type": "Drug", "properties": { "id": "CID:9904", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9904", "label": "nandrolone", "FDA_Category_D_L1000_Similarity": 2.14821, "FDA_Category_D_Structural_Similarity": -0.0357607, "FDA_Category_D_Weighted_Contribution": 1.1431, "FDA_Category_D_Top_Rank": 0.328625, "FDA_Category_X_L1000_Similarity": 0.891804, "FDA_Category_X_Structural_Similarity": 4.88105, "FDA_Category_X_Weighted_Contribution": 4.28066, "FDA_Category_X_Top_Rank": 0.94419, "FDA_Category_D_and_X_L1000_Similarity": 2.12262, "FDA_Category_D_and_X_Structural_Similarity": 2.60541, "FDA_Category_D_and_X_Weighted_Contribution": 3.37536, "FDA_Category_D_and_X_Top_Rank": 0.162783, "Placenta_Crossing_L1000_Similarity": 1.51244, "Placenta_Crossing_Structural_Similarity": 0.755501, "Placenta_Crossing_Weighted_Contribution": 1.42783, "Placenta_Crossing_Top_Rank": -0.0385603, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34", "InChI_key": "NPAGDVCDWIYMMC-IZPLOLCNSA-N" } }, "CID:9904854": { "type": "Drug", "properties": { "id": "CID:9904854", "label": "R-112", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9904854", "FDA_Category_D_L1000_Similarity": -1.36237, "FDA_Category_D_Structural_Similarity": -0.620101, "FDA_Category_D_Weighted_Contribution": -1.13909, "FDA_Category_D_Top_Rank": -0.0952242, "FDA_Category_X_L1000_Similarity": -1.46087, "FDA_Category_X_Structural_Similarity": -0.391735, "FDA_Category_X_Weighted_Contribution": -1.00982, "FDA_Category_X_Top_Rank": -0.088083, "FDA_Category_D_and_X_L1000_Similarity": -1.61802, "FDA_Category_D_and_X_Structural_Similarity": -0.703561, "FDA_Category_D_and_X_Weighted_Contribution": -1.22657, "FDA_Category_D_and_X_Top_Rank": -0.09544, "Placenta_Crossing_L1000_Similarity": -1.55099, "Placenta_Crossing_Structural_Similarity": 1.56697, "Placenta_Crossing_Weighted_Contribution": 0.631103, "Placenta_Crossing_Top_Rank": -0.0155313, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9908992": { "type": "Drug", "properties": { "id": "CID:9908992", "label": "rs-79948", "lsm": "LSM-3932", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9908992", "FDA_Category_D_L1000_Similarity": 0.926784, "FDA_Category_D_Structural_Similarity": -0.172871, "FDA_Category_D_Weighted_Contribution": 0.24068, "FDA_Category_D_Top_Rank": -0.0698425, "FDA_Category_X_L1000_Similarity": 0.551044, "FDA_Category_X_Structural_Similarity": 1.39261, "FDA_Category_X_Weighted_Contribution": 1.69143, "FDA_Category_X_Top_Rank": -0.015099, "FDA_Category_D_and_X_L1000_Similarity": 0.966247, "FDA_Category_D_and_X_Structural_Similarity": 0.614238, "FDA_Category_D_and_X_Weighted_Contribution": 1.02268, "FDA_Category_D_and_X_Top_Rank": -0.0703074, "Placenta_Crossing_L1000_Similarity": 0.725711, "Placenta_Crossing_Structural_Similarity": -0.134478, "Placenta_Crossing_Weighted_Contribution": 0.0819613, "Placenta_Crossing_Top_Rank": -0.0782639, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCS(=O)(=O)N1CCCC2C1CC3C4=C(CCN3C2)C=C(C=C4)OC", "InChI_key": "UMGBFFAJXFXOIL-MNEFBYGVSA-N" } }, "CID:9910224": { "type": "Drug", "properties": { "id": "CID:9910224", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9910224", "label": "zibotentan", "FDA_Category_D_L1000_Similarity": 0.619534, "FDA_Category_D_Structural_Similarity": 0.232171, "FDA_Category_D_Weighted_Contribution": 0.469896, "FDA_Category_D_Top_Rank": -0.0789837, "FDA_Category_X_L1000_Similarity": 0.138331, "FDA_Category_X_Structural_Similarity": 0.168341, "FDA_Category_X_Weighted_Contribution": 0.110155, "FDA_Category_X_Top_Rank": -0.0744914, "FDA_Category_D_and_X_L1000_Similarity": 0.576053, "FDA_Category_D_and_X_Structural_Similarity": 0.275113, "FDA_Category_D_and_X_Weighted_Contribution": 0.438831, "FDA_Category_D_and_X_Top_Rank": -0.0800205, "Placenta_Crossing_L1000_Similarity": 0.803301, "Placenta_Crossing_Structural_Similarity": 1.51875, "Placenta_Crossing_Weighted_Contribution": 1.85558, "Placenta_Crossing_Top_Rank": -0.0184621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4", "InChI_key": "FJHHZXWJVIEFGJ-UHFFFAOYSA-N" } }, "CID:9911463": { "type": "Drug", "properties": { "id": "CID:9911463", "label": "gw-405833", "lsm": "LSM-2217", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9911463", "FDA_Category_D_L1000_Similarity": -1.41691, "FDA_Category_D_Structural_Similarity": -0.286863, "FDA_Category_D_Weighted_Contribution": -0.967105, "FDA_Category_D_Top_Rank": -0.0911658, "FDA_Category_X_L1000_Similarity": 0.0458086, "FDA_Category_X_Structural_Similarity": -0.257691, "FDA_Category_X_Weighted_Contribution": -0.337449, "FDA_Category_X_Top_Rank": -0.0856588, "FDA_Category_D_and_X_L1000_Similarity": -1.20748, "FDA_Category_D_and_X_Structural_Similarity": -0.366736, "FDA_Category_D_and_X_Weighted_Contribution": -0.920301, "FDA_Category_D_and_X_Top_Rank": -0.0925862, "Placenta_Crossing_L1000_Similarity": -1.74551, "Placenta_Crossing_Structural_Similarity": 1.24328, "Placenta_Crossing_Weighted_Contribution": 0.201859, "Placenta_Crossing_Top_Rank": -0.0367945, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4", "InChI_key": "FSFZRNZSZYDVLI-UHFFFAOYSA-N" } }, "CID:9932888": { "type": "Drug", "properties": { "id": "CID:9932888", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9932888", "label": "lestaurtinib", "FDA_Category_D_L1000_Similarity": -0.62779, "FDA_Category_D_Structural_Similarity": -0.259302, "FDA_Category_D_Weighted_Contribution": -0.635075, "FDA_Category_D_Top_Rank": -0.0906455, "FDA_Category_X_L1000_Similarity": -2.94556, "FDA_Category_X_Structural_Similarity": 0.393265, "FDA_Category_X_Weighted_Contribution": -0.9831, "FDA_Category_X_Top_Rank": -0.0660836, "FDA_Category_D_and_X_L1000_Similarity": -1.43567, "FDA_Category_D_and_X_Structural_Similarity": 0.00639273, "FDA_Category_D_and_X_Weighted_Contribution": -0.76187, "FDA_Category_D_and_X_Top_Rank": -0.0861503, "Placenta_Crossing_L1000_Similarity": -1.34192, "Placenta_Crossing_Structural_Similarity": 1.71057, "Placenta_Crossing_Weighted_Contribution": 0.896002, "Placenta_Crossing_Top_Rank": -5.42876e-05, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O", "InChI_key": "UIARLYUEJFELEN-DMVVYWCZSA-N" } }, "CID:9939609": { "type": "Drug", "properties": { "id": "CID:9939609", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9939609", "label": "darapladib", "FDA_Category_D_L1000_Similarity": -0.506984, "FDA_Category_D_Structural_Similarity": -0.667896, "FDA_Category_D_Weighted_Contribution": -0.871264, "FDA_Category_D_Top_Rank": -0.0951583, "FDA_Category_X_L1000_Similarity": 1.34749, "FDA_Category_X_Structural_Similarity": -0.503864, "FDA_Category_X_Weighted_Contribution": 0.0431039, "FDA_Category_X_Top_Rank": -0.0562752, "FDA_Category_D_and_X_L1000_Similarity": -0.0278268, "FDA_Category_D_and_X_Structural_Similarity": -0.802001, "FDA_Category_D_and_X_Weighted_Contribution": -0.774864, "FDA_Category_D_and_X_Top_Rank": -0.0924336, "Placenta_Crossing_L1000_Similarity": -0.361102, "Placenta_Crossing_Structural_Similarity": -0.479372, "Placenta_Crossing_Weighted_Contribution": -0.672668, "Placenta_Crossing_Top_Rank": -0.0895172, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F", "InChI_key": "WDPFJWLDPVQCAJ-UHFFFAOYSA-N" } }, "CID:9949641": { "type": "Drug", "properties": { "id": "CID:9949641", "label": "plinabulin", "lsm": "LSM-6028", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9949641", "FDA_Category_D_L1000_Similarity": -0.29264, "FDA_Category_D_Structural_Similarity": 1.89116, "FDA_Category_D_Weighted_Contribution": 1.68492, "FDA_Category_D_Top_Rank": 0.03135, "FDA_Category_X_L1000_Similarity": -0.261103, "FDA_Category_X_Structural_Similarity": -0.591336, "FDA_Category_X_Weighted_Contribution": -0.734657, "FDA_Category_X_Top_Rank": -0.089086, "FDA_Category_D_and_X_L1000_Similarity": -0.331549, "FDA_Category_D_and_X_Structural_Similarity": 1.18195, "FDA_Category_D_and_X_Weighted_Contribution": 0.852565, "FDA_Category_D_and_X_Top_Rank": -0.0404959, "Placenta_Crossing_L1000_Similarity": -1.14369, "Placenta_Crossing_Structural_Similarity": 0.940984, "Placenta_Crossing_Weighted_Contribution": 0.204811, "Placenta_Crossing_Top_Rank": -0.0529001, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=C(N=CN1)C=C2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2", "InChI_key": "UNRCMCRRFYFGFX-TYPNBTCFSA-N" } }, "CID:9953592": { "type": "Drug", "properties": { "id": "CID:9953592", "label": "naltrindole", "lsm": "LSM-5059", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9953592", "FDA_Category_D_L1000_Similarity": -0.687317, "FDA_Category_D_Structural_Similarity": 0.137735, "FDA_Category_D_Weighted_Contribution": -0.346583, "FDA_Category_D_Top_Rank": -0.0814541, "FDA_Category_X_L1000_Similarity": 2.55611, "FDA_Category_X_Structural_Similarity": -0.318514, "FDA_Category_X_Weighted_Contribution": 0.887189, "FDA_Category_X_Top_Rank": 0.191835, "FDA_Category_D_and_X_L1000_Similarity": 0.183758, "FDA_Category_D_and_X_Structural_Similarity": -0.0625467, "FDA_Category_D_and_X_Weighted_Contribution": -0.0970246, "FDA_Category_D_and_X_Top_Rank": -0.0875622, "Placenta_Crossing_L1000_Similarity": 0.0812763, "Placenta_Crossing_Structural_Similarity": 1.20343, "Placenta_Crossing_Weighted_Contribution": 1.12745, "Placenta_Crossing_Top_Rank": -0.0396611, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6", "InChI_key": "WIYUZYBFCWCCQJ-OOGIKFLQSA-N" } }, "CID:9956145": { "type": "Drug", "properties": { "id": "CID:9956145", "label": "GGTI-297", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9956145", "FDA_Category_D_L1000_Similarity": -0.516785, "FDA_Category_D_Structural_Similarity": 1.22321, "FDA_Category_D_Weighted_Contribution": 0.814951, "FDA_Category_D_Top_Rank": -0.0391854, "FDA_Category_X_L1000_Similarity": -1.28479, "FDA_Category_X_Structural_Similarity": 1.50529, "FDA_Category_X_Weighted_Contribution": 0.777111, "FDA_Category_X_Top_Rank": -0.00853569, "FDA_Category_D_and_X_L1000_Similarity": -0.835638, "FDA_Category_D_and_X_Structural_Similarity": 1.78313, "FDA_Category_D_and_X_Weighted_Contribution": 1.19269, "FDA_Category_D_and_X_Top_Rank": 0.0151017, "Placenta_Crossing_L1000_Similarity": -0.702745, "Placenta_Crossing_Structural_Similarity": 0.300823, "Placenta_Crossing_Weighted_Contribution": -0.184195, "Placenta_Crossing_Top_Rank": -0.0749965, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9989505": { "type": "Drug", "properties": { "id": "CID:9989505", "label": "immethridine", "lsm": "LSM-3087", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9989505", "FDA_Category_D_L1000_Similarity": 0.509463, "FDA_Category_D_Structural_Similarity": -0.205304, "FDA_Category_D_Weighted_Contribution": -0.0272834, "FDA_Category_D_Top_Rank": -0.0850568, "FDA_Category_X_L1000_Similarity": 1.02925, "FDA_Category_X_Structural_Similarity": -0.302153, "FDA_Category_X_Weighted_Contribution": 0.0853886, "FDA_Category_X_Top_Rank": -0.0705916, "FDA_Category_D_and_X_L1000_Similarity": 0.751731, "FDA_Category_D_and_X_Structural_Similarity": -0.325993, "FDA_Category_D_and_X_Weighted_Contribution": -0.0471635, "FDA_Category_D_and_X_Top_Rank": -0.0794723, "Placenta_Crossing_L1000_Similarity": 1.53844, "Placenta_Crossing_Structural_Similarity": -0.109458, "Placenta_Crossing_Weighted_Contribution": 0.517502, "Placenta_Crossing_Top_Rank": -0.035655, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=CC=C1CC2=CN=CN2", "InChI_key": "DFVSGZHJSIEEQQ-UHFFFAOYSA-N" } }, "CID:10029385": { "type": "Drug", "properties": { "id": "CID:10029385", "label": "ly-2090314", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10029385", "FDA_Category_D_L1000_Similarity": 0.563466, "FDA_Category_D_Structural_Similarity": 0.195725, "FDA_Category_D_Weighted_Contribution": 0.398407, "FDA_Category_D_Top_Rank": -0.0800421, "FDA_Category_X_L1000_Similarity": -0.773868, "FDA_Category_X_Structural_Similarity": 0.0912056, "FDA_Category_X_Weighted_Contribution": -0.391144, "FDA_Category_X_Top_Rank": -0.0774106, "FDA_Category_D_and_X_L1000_Similarity": 0.250703, "FDA_Category_D_and_X_Structural_Similarity": 0.204564, "FDA_Category_D_and_X_Weighted_Contribution": 0.187996, "FDA_Category_D_and_X_Top_Rank": -0.0815622, "Placenta_Crossing_L1000_Similarity": 0.949109, "Placenta_Crossing_Structural_Similarity": 0.193188, "Placenta_Crossing_Weighted_Contribution": 0.5213, "Placenta_Crossing_Top_Rank": -0.0722055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7", "InChI_key": "HRJWTAWVFDCTGO-UHFFFAOYSA-N" } }, "CID:10099206": { "type": "Drug", "properties": { "id": "CID:10099206", "label": "LB-42708", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10099206", "FDA_Category_D_L1000_Similarity": -1.69351, "FDA_Category_D_Structural_Similarity": 1.09323, "FDA_Category_D_Weighted_Contribution": -0.0193083, "FDA_Category_D_Top_Rank": -0.0458797, "FDA_Category_X_L1000_Similarity": -1.48061, "FDA_Category_X_Structural_Similarity": -0.0433118, "FDA_Category_X_Weighted_Contribution": -0.780421, "FDA_Category_X_Top_Rank": -0.0808281, "FDA_Category_D_and_X_L1000_Similarity": -1.90946, "FDA_Category_D_and_X_Structural_Similarity": 0.844339, "FDA_Category_D_and_X_Weighted_Contribution": -0.328382, "FDA_Category_D_and_X_Top_Rank": -0.0614958, "Placenta_Crossing_L1000_Similarity": -2.67637, "Placenta_Crossing_Structural_Similarity": 0.576809, "Placenta_Crossing_Weighted_Contribution": -0.756226, "Placenta_Crossing_Top_Rank": -0.0674021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10117987": { "type": "Drug", "properties": { "id": "CID:10117987", "label": "preladenant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10117987", "FDA_Category_D_L1000_Similarity": 0.815078, "FDA_Category_D_Structural_Similarity": -0.792713, "FDA_Category_D_Weighted_Contribution": -0.389107, "FDA_Category_D_Top_Rank": -0.0751882, "FDA_Category_X_L1000_Similarity": 0.809021, "FDA_Category_X_Structural_Similarity": 0.518247, "FDA_Category_X_Weighted_Contribution": 0.84505, "FDA_Category_X_Top_Rank": -0.0612955, "FDA_Category_D_and_X_L1000_Similarity": 0.948301, "FDA_Category_D_and_X_Structural_Similarity": -0.349543, "FDA_Category_D_and_X_Weighted_Contribution": 0.0328868, "FDA_Category_D_and_X_Top_Rank": -0.0718374, "Placenta_Crossing_L1000_Similarity": -0.114411, "Placenta_Crossing_Structural_Similarity": -0.435307, "Placenta_Crossing_Weighted_Contribution": -0.546498, "Placenta_Crossing_Top_Rank": -0.0890652, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6", "InChI_key": "DTYWJKSSUANMHD-UHFFFAOYSA-N" } }, "CID:10172943": { "type": "Drug", "properties": { "id": "CID:10172943", "label": "(2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine", "lsm": "LSM-1045", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10172943", "FDA_Category_D_L1000_Similarity": -0.690887, "FDA_Category_D_Structural_Similarity": 0.766764, "FDA_Category_D_Weighted_Contribution": 0.233057, "FDA_Category_D_Top_Rank": -0.0616705, "FDA_Category_X_L1000_Similarity": -1.89534, "FDA_Category_X_Structural_Similarity": 0.543966, "FDA_Category_X_Weighted_Contribution": -0.48356, "FDA_Category_X_Top_Rank": -0.0598516, "FDA_Category_D_and_X_L1000_Similarity": -1.17114, "FDA_Category_D_and_X_Structural_Similarity": 0.902113, "FDA_Category_D_and_X_Weighted_Contribution": 0.092686, "FDA_Category_D_and_X_Top_Rank": -0.0580444, "Placenta_Crossing_L1000_Similarity": -0.615446, "Placenta_Crossing_Structural_Similarity": 0.553324, "Placenta_Crossing_Weighted_Contribution": 0.0890421, "Placenta_Crossing_Top_Rank": -0.0681433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=CC=CC=C54)N", "InChI_key": "YWTBGJGMTBHQTM-IBGZPJMESA-N" } }, "CID:10182969": { "type": "Drug", "properties": { "id": "CID:10182969", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10182969", "label": "apixaban", "FDA_Category_D_L1000_Similarity": 0.299069, "FDA_Category_D_Structural_Similarity": 0.254562, "FDA_Category_D_Weighted_Contribution": 0.300722, "FDA_Category_D_Top_Rank": -0.078412, "FDA_Category_X_L1000_Similarity": 0.447521, "FDA_Category_X_Structural_Similarity": 0.0485677, "FDA_Category_X_Weighted_Contribution": 0.14547, "FDA_Category_X_Top_Rank": -0.0786208, "FDA_Category_D_and_X_L1000_Similarity": 0.393706, "FDA_Category_D_and_X_Structural_Similarity": 0.228256, "FDA_Category_D_and_X_Weighted_Contribution": 0.289595, "FDA_Category_D_and_X_Top_Rank": -0.0810858, "Placenta_Crossing_L1000_Similarity": 1.54632, "Placenta_Crossing_Structural_Similarity": -0.24755, "Placenta_Crossing_Weighted_Contribution": 0.380309, "Placenta_Crossing_Top_Rank": -0.0348469, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N", "InChI_key": "QNZCBYKSOIHPEH-UHFFFAOYSA-N" } }, "CID:10205": { "type": "Drug", "properties": { "id": "CID:10205", "label": "plumbagin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10205", "FDA_Category_D_L1000_Similarity": 0.416685, "FDA_Category_D_Structural_Similarity": 0.272478, "FDA_Category_D_Weighted_Contribution": 0.388973, "FDA_Category_D_Top_Rank": -0.0779568, "FDA_Category_X_L1000_Similarity": -1.42345, "FDA_Category_X_Structural_Similarity": -0.210382, "FDA_Category_X_Weighted_Contribution": -0.87822, "FDA_Category_X_Top_Rank": -0.084779, "FDA_Category_D_and_X_L1000_Similarity": -0.0730817, "FDA_Category_D_and_X_Structural_Similarity": 0.102748, "FDA_Category_D_and_X_Weighted_Contribution": -0.0777614, "FDA_Category_D_and_X_Top_Rank": -0.0839988, "Placenta_Crossing_L1000_Similarity": -0.555674, "Placenta_Crossing_Structural_Similarity": 0.599687, "Placenta_Crossing_Weighted_Contribution": 0.162882, "Placenta_Crossing_Top_Rank": -0.0666792, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10253143": { "type": "Drug", "properties": { "id": "CID:10253143", "label": "gw842166", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10253143", "FDA_Category_D_L1000_Similarity": 0.920242, "FDA_Category_D_Structural_Similarity": -0.622844, "FDA_Category_D_Weighted_Contribution": -0.189312, "FDA_Category_D_Top_Rank": -0.0703181, "FDA_Category_X_L1000_Similarity": -0.533962, "FDA_Category_X_Structural_Similarity": -0.729811, "FDA_Category_X_Weighted_Contribution": -0.928437, "FDA_Category_X_Top_Rank": -0.0901391, "FDA_Category_D_and_X_L1000_Similarity": 0.631106, "FDA_Category_D_and_X_Structural_Similarity": -0.888162, "FDA_Category_D_and_X_Weighted_Contribution": -0.57297, "FDA_Category_D_and_X_Top_Rank": -0.0828039, "Placenta_Crossing_L1000_Similarity": 0.743624, "Placenta_Crossing_Structural_Similarity": -0.825417, "Placenta_Crossing_Weighted_Contribution": -0.51148, "Placenta_Crossing_Top_Rank": -0.0777922, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)Cl", "InChI_key": "TWQYWUXBZHPIIV-UHFFFAOYSA-N" } }, "CID:10275777": { "type": "Drug", "properties": { "id": "CID:10275777", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10275777", "label": "betrixaban", "FDA_Category_D_L1000_Similarity": 1.38877, "FDA_Category_D_Structural_Similarity": -0.626341, "FDA_Category_D_Weighted_Contribution": 0.0616923, "FDA_Category_D_Top_Rank": -0.0259493, "FDA_Category_X_L1000_Similarity": -0.919222, "FDA_Category_X_Structural_Similarity": -0.649778, "FDA_Category_X_Weighted_Contribution": -1.00161, "FDA_Category_X_Top_Rank": -0.0911266, "FDA_Category_D_and_X_L1000_Similarity": 0.917989, "FDA_Category_D_and_X_Structural_Similarity": -0.847752, "FDA_Category_D_and_X_Weighted_Contribution": -0.416235, "FDA_Category_D_and_X_Top_Rank": -0.0732463, "Placenta_Crossing_L1000_Similarity": 1.0837, "Placenta_Crossing_Structural_Similarity": -0.910294, "Placenta_Crossing_Weighted_Contribution": -0.441953, "Placenta_Crossing_Top_Rank": -0.0671169, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl", "InChI_key": "XHOLNRLADUSQLD-UHFFFAOYSA-N" } }, "CID:10398360": { "type": "Drug", "properties": { "id": "CID:10398360", "label": "3-matida", "lsm": "LSM-4489", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10398360", "FDA_Category_D_L1000_Similarity": 0.396521, "FDA_Category_D_Structural_Similarity": -0.898254, "FDA_Category_D_Weighted_Contribution": -0.664064, "FDA_Category_D_Top_Rank": -0.0872599, "FDA_Category_X_L1000_Similarity": -0.238111, "FDA_Category_X_Structural_Similarity": -0.734568, "FDA_Category_X_Weighted_Contribution": -0.830205, "FDA_Category_X_Top_Rank": -0.0889935, "FDA_Category_D_and_X_L1000_Similarity": 0.269494, "FDA_Category_D_and_X_Structural_Similarity": -1.10933, "FDA_Category_D_and_X_Weighted_Contribution": -0.866996, "FDA_Category_D_and_X_Top_Rank": -0.0893883, "Placenta_Crossing_L1000_Similarity": 0.629788, "Placenta_Crossing_Structural_Similarity": -0.88609, "Placenta_Crossing_Weighted_Contribution": -0.602082, "Placenta_Crossing_Top_Rank": -0.08042, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10429242": { "type": "Drug", "properties": { "id": "CID:10429242", "label": "mitoglitazone", "lsm": "LSM-5100", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10429242", "FDA_Category_D_L1000_Similarity": -0.0469744, "FDA_Category_D_Structural_Similarity": -0.200761, "FDA_Category_D_Weighted_Contribution": -0.315541, "FDA_Category_D_Top_Rank": -0.0894885, "FDA_Category_X_L1000_Similarity": -0.569699, "FDA_Category_X_Structural_Similarity": 0.576873, "FDA_Category_X_Weighted_Contribution": 0.165075, "FDA_Category_X_Top_Rank": -0.0586062, "FDA_Category_D_and_X_L1000_Similarity": -0.213501, "FDA_Category_D_and_X_Structural_Similarity": 0.151932, "FDA_Category_D_and_X_Weighted_Contribution": -0.104415, "FDA_Category_D_and_X_Top_Rank": -0.0828253, "Placenta_Crossing_L1000_Similarity": 0.670833, "Placenta_Crossing_Structural_Similarity": -0.577839, "Placenta_Crossing_Weighted_Contribution": -0.340884, "Placenta_Crossing_Top_Rank": -0.0795638, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3", "InChI_key": "IRNJSRAGRIZIHD-UHFFFAOYSA-N" } }, "CID:10461508": { "type": "Drug", "properties": { "id": "CID:10461508", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10461508", "label": "volasertib", "FDA_Category_D_L1000_Similarity": -1.47135, "FDA_Category_D_Structural_Similarity": -0.336027, "FDA_Category_D_Weighted_Contribution": -1.01572, "FDA_Category_D_Top_Rank": -0.0919965, "FDA_Category_X_L1000_Similarity": -1.17533, "FDA_Category_X_Structural_Similarity": -0.402028, "FDA_Category_X_Weighted_Contribution": -0.923883, "FDA_Category_X_Top_Rank": -0.0882389, "FDA_Category_D_and_X_L1000_Similarity": -1.62526, "FDA_Category_D_and_X_Structural_Similarity": -0.483642, "FDA_Category_D_and_X_Weighted_Contribution": -1.11947, "FDA_Category_D_and_X_Top_Rank": -0.0938488, "Placenta_Crossing_L1000_Similarity": -1.27601, "Placenta_Crossing_Structural_Similarity": -0.463151, "Placenta_Crossing_Weighted_Contribution": -0.968621, "Placenta_Crossing_Top_Rank": -0.0893522, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC5)CC6CC6)ncc2N(C)C1=O", "InChI_key": "SXNJFOWDRLKDSF-STROYTFGSA-N" } }, "CID:10461815": { "type": "Drug", "properties": { "id": "CID:10461815", "label": "pha-665752", "lsm": "LSM-1125", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10461815", "FDA_Category_D_L1000_Similarity": -1.28, "FDA_Category_D_Structural_Similarity": 2.04452, "FDA_Category_D_Weighted_Contribution": 1.22277, "FDA_Category_D_Top_Rank": 0.0550603, "FDA_Category_X_L1000_Similarity": 1.30301, "FDA_Category_X_Structural_Similarity": 0.281638, "FDA_Category_X_Weighted_Contribution": 0.856934, "FDA_Category_X_Top_Rank": -0.0590023, "FDA_Category_D_and_X_L1000_Similarity": -0.707677, "FDA_Category_D_and_X_Structural_Similarity": 1.77473, "FDA_Category_D_and_X_Weighted_Contribution": 1.26054, "FDA_Category_D_and_X_Top_Rank": 0.0136609, "Placenta_Crossing_L1000_Similarity": -0.999746, "Placenta_Crossing_Structural_Similarity": 0.0574548, "Placenta_Crossing_Weighted_Contribution": -0.512692, "Placenta_Crossing_Top_Rank": -0.0810154, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O", "InChI_key": "OYONTEXKYJZFHA-SSHUPFPWSA-N" } }, "CID:1048845": { "type": "Drug", "properties": { "id": "CID:1048845", "label": "tcs-359", "lsm": "LSM-3826", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1048845", "FDA_Category_D_L1000_Similarity": 1.33309, "FDA_Category_D_Structural_Similarity": -0.6401, "FDA_Category_D_Weighted_Contribution": 0.0174938, "FDA_Category_D_Top_Rank": -0.0343608, "FDA_Category_X_L1000_Similarity": -0.00363384, "FDA_Category_X_Structural_Similarity": -0.678301, "FDA_Category_X_Weighted_Contribution": -0.703224, "FDA_Category_X_Top_Rank": -0.0876173, "FDA_Category_D_and_X_L1000_Similarity": 1.14805, "FDA_Category_D_and_X_Structural_Similarity": -0.874065, "FDA_Category_D_and_X_Weighted_Contribution": -0.332105, "FDA_Category_D_and_X_Top_Rank": -0.0593789, "Placenta_Crossing_L1000_Similarity": 0.990465, "Placenta_Crossing_Structural_Similarity": -0.778722, "Placenta_Crossing_Weighted_Contribution": -0.373144, "Placenta_Crossing_Top_Rank": -0.0707559, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC", "InChI_key": "FSPQCTGGIANIJZ-UHFFFAOYSA-N" } }, "CID:107896": { "type": "Drug", "properties": { "id": "CID:107896", "label": "gabazine", "lsm": "LSM-3799", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107896", "FDA_Category_D_L1000_Similarity": 1.04598, "FDA_Category_D_Structural_Similarity": 0.93914, "FDA_Category_D_Weighted_Contribution": 1.50316, "FDA_Category_D_Top_Rank": -0.0535001, "FDA_Category_X_L1000_Similarity": 0.260453, "FDA_Category_X_Structural_Similarity": 1.81462, "FDA_Category_X_Weighted_Contribution": 1.99875, "FDA_Category_X_Top_Rank": 0.0166093, "FDA_Category_D_and_X_L1000_Similarity": 0.980747, "FDA_Category_D_and_X_Structural_Similarity": 1.72457, "FDA_Category_D_and_X_Weighted_Contribution": 2.18705, "FDA_Category_D_and_X_Top_Rank": 0.00716487, "Placenta_Crossing_L1000_Similarity": 1.179, "Placenta_Crossing_Structural_Similarity": -0.102538, "Placenta_Crossing_Weighted_Contribution": 0.338617, "Placenta_Crossing_Top_Rank": -0.0627259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O", "InChI_key": "ACVGNKYJVGNLIL-UHFFFAOYSA-N" } }, "CID:10932412": { "type": "Drug", "properties": { "id": "CID:10932412", "label": "6-nitrodopamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10932412", "FDA_Category_D_L1000_Similarity": 0.367374, "FDA_Category_D_Structural_Similarity": 2.42062, "FDA_Category_D_Weighted_Contribution": 2.60134, "FDA_Category_D_Top_Rank": 0.120307, "FDA_Category_X_L1000_Similarity": 0.591328, "FDA_Category_X_Structural_Similarity": 0.598366, "FDA_Category_X_Weighted_Contribution": 0.812753, "FDA_Category_X_Top_Rank": -0.0579377, "FDA_Category_D_and_X_L1000_Similarity": 0.496259, "FDA_Category_D_and_X_Structural_Similarity": 2.24415, "FDA_Category_D_and_X_Weighted_Contribution": 2.42082, "FDA_Category_D_and_X_Top_Rank": 0.0688681, "Placenta_Crossing_L1000_Similarity": 0.288836, "Placenta_Crossing_Structural_Similarity": 1.91187, "Placenta_Crossing_Weighted_Contribution": 1.99145, "Placenta_Crossing_Top_Rank": 0.0225394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11012": { "type": "Drug", "properties": { "id": "CID:11012", "label": "gitoxigenin", "lsm": "LSM-1432", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11012", "FDA_Category_D_L1000_Similarity": 0.207353, "FDA_Category_D_Structural_Similarity": -0.725531, "FDA_Category_D_Weighted_Contribution": -0.617972, "FDA_Category_D_Top_Rank": -0.0901369, "FDA_Category_X_L1000_Similarity": -0.696831, "FDA_Category_X_Structural_Similarity": 2.24294, "FDA_Category_X_Weighted_Contribution": 1.94312, "FDA_Category_X_Top_Rank": 0.0713884, "FDA_Category_D_and_X_L1000_Similarity": -0.0328841, "FDA_Category_D_and_X_Structural_Similarity": 0.634417, "FDA_Category_D_and_X_Weighted_Contribution": 0.457051, "FDA_Category_D_and_X_Top_Rank": -0.0695434, "Placenta_Crossing_L1000_Similarity": 0.0561348, "Placenta_Crossing_Structural_Similarity": 1.87479, "Placenta_Crossing_Weighted_Contribution": 1.83168, "Placenta_Crossing_Top_Rank": 0.0196429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)O", "InChI_key": "PVAMXWLZJKTXFW-YOUFMJPESA-N" } }, "CID:110634": { "type": "Drug", "properties": { "id": "CID:110634", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID110634", "label": "vardenafil", "FDA_Category_D_L1000_Similarity": 0.198942, "FDA_Category_D_Structural_Similarity": 0.927631, "FDA_Category_D_Weighted_Contribution": 0.948741, "FDA_Category_D_Top_Rank": -0.0539675, "FDA_Category_X_L1000_Similarity": 2.11914, "FDA_Category_X_Structural_Similarity": 0.344034, "FDA_Category_X_Weighted_Contribution": 1.39198, "FDA_Category_X_Top_Rank": 0.0332539, "FDA_Category_D_and_X_L1000_Similarity": 0.815034, "FDA_Category_D_and_X_Structural_Similarity": 0.921912, "FDA_Category_D_and_X_Weighted_Contribution": 1.26135, "FDA_Category_D_and_X_Top_Rank": -0.0568497, "Placenta_Crossing_L1000_Similarity": 1.32868, "Placenta_Crossing_Structural_Similarity": -0.30883, "Placenta_Crossing_Weighted_Contribution": 0.209163, "Placenta_Crossing_Top_Rank": -0.0537233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C", "InChI_key": "SECKRCOLJRRGGV-UHFFFAOYSA-N" } }, "CID:110635": { "type": "Drug", "properties": { "id": "CID:110635", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID110635", "label": "tadalafil", "FDA_Category_D_L1000_Similarity": 1.94371, "FDA_Category_D_Structural_Similarity": -0.821733, "FDA_Category_D_Weighted_Contribution": 0.187742, "FDA_Category_D_Top_Rank": 0.155533, "FDA_Category_X_L1000_Similarity": 0.894173, "FDA_Category_X_Structural_Similarity": -0.686908, "FDA_Category_X_Weighted_Contribution": -0.341597, "FDA_Category_X_Top_Rank": -0.0745421, "FDA_Category_D_and_X_L1000_Similarity": 1.94705, "FDA_Category_D_and_X_Structural_Similarity": -1.02287, "FDA_Category_D_and_X_Weighted_Contribution": -0.0715944, "FDA_Category_D_and_X_Top_Rank": 0.0769517, "Placenta_Crossing_L1000_Similarity": 2.32398, "Placenta_Crossing_Structural_Similarity": -1.05628, "Placenta_Crossing_Weighted_Contribution": -0.0224438, "Placenta_Crossing_Top_Rank": 0.168412, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36", "InChI_key": "WOXKDUGGOYFFRN-IIBYNOLFSA-N" } }, "CID:11154555": { "type": "Drug", "properties": { "id": "CID:11154555", "label": "cariprazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11154555", "IDG_ID": "5037", "FDA_Category_D_L1000_Similarity": 1.97025, "FDA_Category_D_Structural_Similarity": 0.187671, "FDA_Category_D_Weighted_Contribution": 1.27362, "FDA_Category_D_Top_Rank": 0.171623, "FDA_Category_X_L1000_Similarity": 2.80157, "FDA_Category_X_Structural_Similarity": 2.37561, "FDA_Category_X_Weighted_Contribution": 3.60678, "FDA_Category_X_Top_Rank": 0.349905, "FDA_Category_D_and_X_L1000_Similarity": 2.54917, "FDA_Category_D_and_X_Structural_Similarity": 1.43083, "FDA_Category_D_and_X_Weighted_Contribution": 2.71579, "FDA_Category_D_and_X_Top_Rank": 0.564612, "Placenta_Crossing_L1000_Similarity": 1.93952, "Placenta_Crossing_Structural_Similarity": -0.360811, "Placenta_Crossing_Weighted_Contribution": 0.468191, "Placenta_Crossing_Top_Rank": 0.0290804, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=O)N[C@H]1CC[C@@H](CC1)CCN2CCN(CC2)c3cccc(Cl)c3Cl", "InChI_key": "KPWSJANDNDDRMB-QAQDUYKDSA-N" } }, "CID:11201705": { "type": "Drug", "properties": { "id": "CID:11201705", "label": "ivachtin", "lsm": "LSM-3438", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11201705", "FDA_Category_D_L1000_Similarity": 0.22147, "FDA_Category_D_Structural_Similarity": -0.467127, "FDA_Category_D_Weighted_Contribution": -0.407372, "FDA_Category_D_Top_Rank": -0.0899701, "FDA_Category_X_L1000_Similarity": -0.0325259, "FDA_Category_X_Structural_Similarity": -0.596777, "FDA_Category_X_Weighted_Contribution": -0.651815, "FDA_Category_X_Top_Rank": -0.0878053, "FDA_Category_D_and_X_L1000_Similarity": 0.181031, "FDA_Category_D_and_X_Structural_Similarity": -0.692783, "FDA_Category_D_and_X_Weighted_Contribution": -0.615307, "FDA_Category_D_and_X_Top_Rank": -0.0904651, "Placenta_Crossing_L1000_Similarity": 1.24973, "Placenta_Crossing_Structural_Similarity": -1.08922, "Placenta_Crossing_Weighted_Contribution": -0.516985, "Placenta_Crossing_Top_Rank": -0.0591169, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=C3C=C(C=CC3=N1)S(=O)(=O)N4CCOCC4)C(=O)N(C2=O)CCOC(=O)C", "InChI_key": "MWXJJTMEUGWKKY-UHFFFAOYSA-N" } }, "CID:11224409": { "type": "Drug", "properties": { "id": "CID:11224409", "label": "radezolid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11224409", "FDA_Category_D_L1000_Similarity": 0.954039, "FDA_Category_D_Structural_Similarity": 0.73122, "FDA_Category_D_Weighted_Contribution": 1.2172, "FDA_Category_D_Top_Rank": -0.0629471, "FDA_Category_X_L1000_Similarity": 0.690367, "FDA_Category_X_Structural_Similarity": -0.378018, "FDA_Category_X_Weighted_Contribution": -0.152907, "FDA_Category_X_Top_Rank": -0.0793258, "FDA_Category_D_and_X_L1000_Similarity": 1.03205, "FDA_Category_D_and_X_Structural_Similarity": 0.376402, "FDA_Category_D_and_X_Weighted_Contribution": 0.809006, "FDA_Category_D_and_X_Top_Rank": -0.0671117, "Placenta_Crossing_L1000_Similarity": 1.21514, "Placenta_Crossing_Structural_Similarity": 0.112988, "Placenta_Crossing_Weighted_Contribution": 0.578127, "Placenta_Crossing_Top_Rank": -0.060957, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CNCC4=NNN=C4)F", "InChI_key": "BTTNOGHPGJANSW-IBGZPJMESA-N" } }, "CID:1133081": { "type": "Drug", "properties": { "id": "CID:1133081", "label": "BG-1014", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1133081", "FDA_Category_D_L1000_Similarity": -0.127432, "FDA_Category_D_Structural_Similarity": -0.596995, "FDA_Category_D_Weighted_Contribution": -0.668148, "FDA_Category_D_Top_Rank": -0.0932241, "FDA_Category_X_L1000_Similarity": -0.273339, "FDA_Category_X_Structural_Similarity": -0.539835, "FDA_Category_X_Weighted_Contribution": -0.70057, "FDA_Category_X_Top_Rank": -0.0891509, "FDA_Category_D_and_X_L1000_Similarity": -0.19286, "FDA_Category_D_and_X_Structural_Similarity": -0.765136, "FDA_Category_D_and_X_Weighted_Contribution": -0.811955, "FDA_Category_D_and_X_Top_Rank": -0.0935915, "Placenta_Crossing_L1000_Similarity": -1.02341, "Placenta_Crossing_Structural_Similarity": -0.546175, "Placenta_Crossing_Weighted_Contribution": -0.941277, "Placenta_Crossing_Top_Rank": -0.0901069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11511120": { "type": "Drug", "properties": { "id": "CID:11511120", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11511120", "label": "dacomitinib", "FDA_Category_D_L1000_Similarity": 0.167485, "FDA_Category_D_Structural_Similarity": -0.130742, "FDA_Category_D_Weighted_Contribution": -0.143148, "FDA_Category_D_Top_Rank": -0.0881931, "FDA_Category_X_L1000_Similarity": 1.47669, "FDA_Category_X_Structural_Similarity": 5.3705, "FDA_Category_X_Weighted_Contribution": 4.45474, "FDA_Category_X_Top_Rank": 1.32814, "FDA_Category_D_and_X_L1000_Similarity": 0.592821, "FDA_Category_D_and_X_Structural_Similarity": 2.79413, "FDA_Category_D_and_X_Weighted_Contribution": 2.928, "FDA_Category_D_and_X_Top_Rank": 0.153289, "Placenta_Crossing_L1000_Similarity": -0.163017, "Placenta_Crossing_Structural_Similarity": 0.306948, "Placenta_Crossing_Weighted_Contribution": 0.0729811, "Placenta_Crossing_Top_Rank": -0.0748854, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4", "InChI_key": "LVXJQMNHJWSHET-AATRIKPKSA-N" } }, "CID:11556711": { "type": "Drug", "properties": { "id": "CID:11556711", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11556711", "label": "carfilzomib", "FDA_Category_D_L1000_Similarity": -0.882941, "FDA_Category_D_Structural_Similarity": -0.290628, "FDA_Category_D_Weighted_Contribution": -0.765389, "FDA_Category_D_Top_Rank": -0.0912377, "FDA_Category_X_L1000_Similarity": -2.87364, "FDA_Category_X_Structural_Similarity": -0.163169, "FDA_Category_X_Weighted_Contribution": -1.2799, "FDA_Category_X_Top_Rank": -0.0837301, "FDA_Category_D_and_X_L1000_Similarity": -1.63379, "FDA_Category_D_and_X_Structural_Similarity": -0.318721, "FDA_Category_D_and_X_Weighted_Contribution": -1.03257, "FDA_Category_D_and_X_Top_Rank": -0.0919563, "Placenta_Crossing_L1000_Similarity": -1.81928, "Placenta_Crossing_Structural_Similarity": -0.552489, "Placenta_Crossing_Weighted_Contribution": -1.17029, "Placenta_Crossing_Top_Rank": -0.0901675, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CN4CCOCC4", "InChI_key": "BLMPQMFVWMYDKT-NZTKNTHTSA-N" } }, "CID:11561674": { "type": "Drug", "properties": { "id": "CID:11561674", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11561674", "label": "apremilast", "FDA_Category_D_L1000_Similarity": 0.0149794, "FDA_Category_D_Structural_Similarity": 0.0340437, "FDA_Category_D_Weighted_Contribution": -0.0740317, "FDA_Category_D_Top_Rank": -0.0843534, "FDA_Category_X_L1000_Similarity": -1.0561, "FDA_Category_X_Structural_Similarity": -0.383074, "FDA_Category_X_Weighted_Contribution": -0.870565, "FDA_Category_X_Top_Rank": -0.0879331, "FDA_Category_D_and_X_L1000_Similarity": -0.307811, "FDA_Category_D_and_X_Structural_Similarity": -0.179684, "FDA_Category_D_and_X_Weighted_Contribution": -0.43156, "FDA_Category_D_and_X_Top_Rank": -0.0898978, "Placenta_Crossing_L1000_Similarity": 0.710114, "Placenta_Crossing_Structural_Similarity": -0.555751, "Placenta_Crossing_Weighted_Contribution": -0.305439, "Placenta_Crossing_Top_Rank": -0.0786788, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC", "InChI_key": "IMOZEMNVLZVGJZ-QGZVFWFLSA-N" } }, "CID:11615393": { "type": "Drug", "properties": { "id": "CID:11615393", "label": "telmesteine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11615393", "FDA_Category_D_L1000_Similarity": 1.37359, "FDA_Category_D_Structural_Similarity": -0.30904, "FDA_Category_D_Weighted_Contribution": 0.367322, "FDA_Category_D_Top_Rank": -0.0285554, "FDA_Category_X_L1000_Similarity": 2.33851, "FDA_Category_X_Structural_Similarity": -0.325125, "FDA_Category_X_Weighted_Contribution": 0.757818, "FDA_Category_X_Top_Rank": 0.090205, "FDA_Category_D_and_X_L1000_Similarity": 1.89421, "FDA_Category_D_and_X_Structural_Similarity": -0.420725, "FDA_Category_D_and_X_Weighted_Contribution": 0.482631, "FDA_Category_D_and_X_Top_Rank": 0.0586987, "Placenta_Crossing_L1000_Similarity": 1.69571, "Placenta_Crossing_Structural_Similarity": -0.248922, "Placenta_Crossing_Weighted_Contribution": 0.456094, "Placenta_Crossing_Top_Rank": -0.0160346, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11617559": { "type": "Drug", "properties": { "id": "CID:11617559", "label": "GW-2580", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11617559", "FDA_Category_D_L1000_Similarity": 0.327416, "FDA_Category_X_L1000_Similarity": -1.35038, "FDA_Category_D_and_X_L1000_Similarity": -0.127851, "Placenta_Crossing_L1000_Similarity": -0.423222, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11631681": { "type": "Drug", "properties": { "id": "CID:11631681", "label": "ro-3306", "lsm": "LSM-1104", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11631681", "FDA_Category_D_L1000_Similarity": -0.900093, "FDA_Category_D_Structural_Similarity": -0.700512, "FDA_Category_D_Weighted_Contribution": -1.03325, "FDA_Category_D_Top_Rank": -0.0958526, "FDA_Category_X_L1000_Similarity": -2.87986, "FDA_Category_X_Structural_Similarity": 0.465132, "FDA_Category_X_Weighted_Contribution": -0.91438, "FDA_Category_X_Top_Rank": -0.0634001, "FDA_Category_D_and_X_L1000_Similarity": -1.65045, "FDA_Category_D_and_X_Structural_Similarity": -0.305022, "FDA_Category_D_and_X_Weighted_Contribution": -1.03011, "FDA_Category_D_and_X_Top_Rank": -0.0917846, "Placenta_Crossing_L1000_Similarity": -1.75942, "Placenta_Crossing_Structural_Similarity": -0.870995, "Placenta_Crossing_Weighted_Contribution": -1.30631, "Placenta_Crossing_Top_Rank": -0.0920415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1", "InChI_key": "XOLMRFUGOINFDQ-YBEGLDIGSA-N" } }, "CID:11644425": { "type": "Drug", "properties": { "id": "CID:11644425", "label": "cgp-57380", "lsm": "LSM-2944", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11644425", "FDA_Category_D_L1000_Similarity": -1.47162, "FDA_Category_D_Structural_Similarity": -0.325076, "FDA_Category_D_Weighted_Contribution": -1.00935, "FDA_Category_D_Top_Rank": -0.091801, "FDA_Category_X_L1000_Similarity": -2.19034, "FDA_Category_X_Structural_Similarity": -0.549762, "FDA_Category_X_Weighted_Contribution": -1.30209, "FDA_Category_X_Top_Rank": -0.0904803, "FDA_Category_D_and_X_L1000_Similarity": -1.93372, "FDA_Category_D_and_X_Structural_Similarity": -0.554667, "FDA_Category_D_and_X_Weighted_Contribution": -1.23968, "FDA_Category_D_and_X_Top_Rank": -0.0944488, "Placenta_Crossing_L1000_Similarity": -1.57993, "Placenta_Crossing_Structural_Similarity": -0.613621, "Placenta_Crossing_Weighted_Contribution": -1.1393, "Placenta_Crossing_Top_Rank": -0.0906683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F", "InChI_key": "UQPMANVRZYYQMD-UHFFFAOYSA-N" } }, "CID:11716890": { "type": "Drug", "properties": { "id": "CID:11716890", "label": "ym-298198", "lsm": "LSM-3059", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11716890", "FDA_Category_D_L1000_Similarity": 0.156621, "FDA_Category_D_Structural_Similarity": -0.949081, "FDA_Category_D_Weighted_Contribution": -0.799623, "FDA_Category_D_Top_Rank": -0.0906915, "FDA_Category_X_L1000_Similarity": 0.482304, "FDA_Category_X_Structural_Similarity": -0.577239, "FDA_Category_X_Weighted_Contribution": -0.425499, "FDA_Category_X_Top_Rank": -0.0827174, "FDA_Category_D_and_X_L1000_Similarity": 0.281482, "FDA_Category_D_and_X_Structural_Similarity": -1.06477, "FDA_Category_D_and_X_Weighted_Contribution": -0.834034, "FDA_Category_D_and_X_Top_Rank": -0.0892106, "Placenta_Crossing_L1000_Similarity": 0.563511, "Placenta_Crossing_Structural_Similarity": -0.887263, "Placenta_Crossing_Weighted_Contribution": -0.627969, "Placenta_Crossing_Top_Rank": -0.0818176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4", "InChI_key": "VWOMTTIMBHBPBI-UHFFFAOYSA-N" } }, "CID:119376": { "type": "Drug", "properties": { "id": "CID:119376", "label": "gr-113808", "lsm": "LSM-3098", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119376", "FDA_Category_D_L1000_Similarity": 1.40483, "FDA_Category_D_Structural_Similarity": -0.191439, "FDA_Category_D_Weighted_Contribution": 0.507608, "FDA_Category_D_Top_Rank": -0.0239266, "FDA_Category_X_L1000_Similarity": -0.662298, "FDA_Category_X_Structural_Similarity": -0.342099, "FDA_Category_X_Weighted_Contribution": -0.698221, "FDA_Category_X_Top_Rank": -0.0872088, "FDA_Category_D_and_X_L1000_Similarity": 1.00986, "FDA_Category_D_and_X_Structural_Similarity": -0.336544, "FDA_Category_D_and_X_Weighted_Contribution": 0.077493, "FDA_Category_D_and_X_Top_Rank": -0.0685576, "Placenta_Crossing_L1000_Similarity": 1.47637, "Placenta_Crossing_Structural_Similarity": 0.821947, "Placenta_Crossing_Weighted_Contribution": 1.47959, "Placenta_Crossing_Top_Rank": -0.0422725, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C", "InChI_key": "MOZPSIXKYJUTKI-UHFFFAOYSA-N" } }, "CID:11955855": { "type": "Drug", "properties": { "id": "CID:11955855", "label": "rabusertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11955855", "FDA_Category_D_L1000_Similarity": 0.404848, "FDA_Category_D_Structural_Similarity": -0.843916, "FDA_Category_D_Weighted_Contribution": -0.62003, "FDA_Category_D_Top_Rank": -0.0871228, "FDA_Category_X_L1000_Similarity": -0.847632, "FDA_Category_X_Structural_Similarity": -0.538454, "FDA_Category_X_Weighted_Contribution": -0.905396, "FDA_Category_X_Top_Rank": -0.0903285, "FDA_Category_D_and_X_L1000_Similarity": 0.0915726, "FDA_Category_D_and_X_Structural_Similarity": -0.960375, "FDA_Category_D_and_X_Weighted_Contribution": -0.83537, "FDA_Category_D_and_X_Top_Rank": -0.0914034, "Placenta_Crossing_L1000_Similarity": -1.69785, "Placenta_Crossing_Structural_Similarity": -1.00137, "Placenta_Crossing_Weighted_Contribution": -1.34871, "Placenta_Crossing_Top_Rank": -0.0922955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OCC3CNCCO3", "InChI_key": "SYYBDNPGDKKJDU-ZDUSSCGKSA-N" } }, "CID:11973736": { "type": "Drug", "properties": { "id": "CID:11973736", "label": "tg-100801", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11973736", "FDA_Category_D_L1000_Similarity": 0.692477, "FDA_Category_D_Structural_Similarity": 0.949292, "FDA_Category_D_Weighted_Contribution": 1.28826, "FDA_Category_D_Top_Rank": -0.0528922, "FDA_Category_X_L1000_Similarity": 0.309123, "FDA_Category_X_Structural_Similarity": 0.580013, "FDA_Category_X_Weighted_Contribution": 0.635616, "FDA_Category_X_Top_Rank": -0.0585203, "FDA_Category_D_and_X_L1000_Similarity": 0.690806, "FDA_Category_D_and_X_Structural_Similarity": 1.06644, "FDA_Category_D_and_X_Weighted_Contribution": 1.34148, "FDA_Category_D_and_X_Top_Rank": -0.0489259, "Placenta_Crossing_L1000_Similarity": 0.0338687, "Placenta_Crossing_Structural_Similarity": -0.497932, "Placenta_Crossing_Weighted_Contribution": -0.536789, "Placenta_Crossing_Top_Rank": -0.0880921, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl", "InChI_key": "JMGXJHWTVBGOKG-UHFFFAOYSA-N" } }, "CID:1204": { "type": "Drug", "properties": { "id": "CID:1204", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1204", "label": "epibatidine", "FDA_Category_D_L1000_Similarity": 1.32817, "FDA_Category_D_Structural_Similarity": -0.65295, "FDA_Category_D_Weighted_Contribution": 0.00260946, "FDA_Category_D_Top_Rank": -0.0346886, "FDA_Category_X_L1000_Similarity": 0.667901, "FDA_Category_X_Structural_Similarity": -0.702055, "FDA_Category_X_Weighted_Contribution": -0.452709, "FDA_Category_X_Top_Rank": -0.079861, "FDA_Category_D_and_X_L1000_Similarity": 1.34773, "FDA_Category_D_and_X_Structural_Similarity": -0.897081, "FDA_Category_D_and_X_Weighted_Contribution": -0.257004, "FDA_Category_D_and_X_Top_Rank": -0.0429191, "Placenta_Crossing_L1000_Similarity": 0.894951, "Placenta_Crossing_Structural_Similarity": -0.626744, "Placenta_Crossing_Weighted_Contribution": -0.286033, "Placenta_Crossing_Top_Rank": -0.0737692, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2C(CC1N2)C3=CN=C(C=C3)Cl", "InChI_key": "NLPRAJRHRHZCQQ-UHFFFAOYSA-N" } }, "CID:1225": { "type": "Drug", "properties": { "id": "CID:1225", "label": "SKF-82958", "lsm": "LSM-22622", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1225", "FDA_Category_D_L1000_Similarity": -0.11282, "FDA_Category_D_Structural_Similarity": -0.604493, "FDA_Category_D_Weighted_Contribution": -0.667371, "FDA_Category_D_Top_Rank": -0.0931135, "FDA_Category_X_L1000_Similarity": 0.186048, "FDA_Category_X_Structural_Similarity": -0.625397, "FDA_Category_X_Weighted_Contribution": -0.588171, "FDA_Category_X_Top_Rank": -0.0860692, "FDA_Category_D_and_X_L1000_Similarity": -0.0407466, "FDA_Category_D_and_X_Structural_Similarity": -0.817256, "FDA_Category_D_and_X_Weighted_Contribution": -0.789961, "FDA_Category_D_and_X_Top_Rank": -0.0925423, "Placenta_Crossing_L1000_Similarity": 0.0391356, "Placenta_Crossing_Structural_Similarity": 0.409989, "Placenta_Crossing_Weighted_Contribution": 0.272936, "Placenta_Crossing_Top_Rank": -0.0721992, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:123686": { "type": "Drug", "properties": { "id": "CID:123686", "label": "ici-89406", "lsm": "LSM-1257", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123686", "FDA_Category_D_L1000_Similarity": 0.480525, "FDA_Category_D_Structural_Similarity": -0.878086, "FDA_Category_D_Weighted_Contribution": -0.612387, "FDA_Category_D_Top_Rank": -0.085667, "FDA_Category_X_L1000_Similarity": 1.21152, "FDA_Category_X_Structural_Similarity": -0.659578, "FDA_Category_X_Weighted_Contribution": -0.17237, "FDA_Category_X_Top_Rank": -0.0635537, "FDA_Category_D_and_X_L1000_Similarity": 0.782138, "FDA_Category_D_and_X_Structural_Similarity": -1.05285, "FDA_Category_D_and_X_Weighted_Contribution": -0.632245, "FDA_Category_D_and_X_Top_Rank": -0.0784528, "Placenta_Crossing_L1000_Similarity": 1.30603, "Placenta_Crossing_Structural_Similarity": -0.638079, "Placenta_Crossing_Weighted_Contribution": -0.112455, "Placenta_Crossing_Top_Rank": -0.055077, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O", "InChI_key": "HTLWRKRZKFAAAH-UHFFFAOYSA-N" } }, "CID:1241": { "type": "Drug", "properties": { "id": "CID:1241", "label": "skf-77434", "lsm": "LSM-1702", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1241", "FDA_Category_D_L1000_Similarity": 1.70137, "FDA_Category_D_Structural_Similarity": -0.628254, "FDA_Category_D_Weighted_Contribution": 0.238888, "FDA_Category_D_Top_Rank": 0.0426137, "FDA_Category_X_L1000_Similarity": -2.1709, "FDA_Category_X_Structural_Similarity": -0.579097, "FDA_Category_X_Weighted_Contribution": -1.31167, "FDA_Category_X_Top_Rank": -0.090841, "FDA_Category_D_and_X_L1000_Similarity": 0.807361, "FDA_Category_D_and_X_Structural_Similarity": -0.811131, "FDA_Category_D_and_X_Weighted_Contribution": -0.436615, "FDA_Category_D_and_X_Top_Rank": -0.0774783, "Placenta_Crossing_L1000_Similarity": 1.02581, "Placenta_Crossing_Structural_Similarity": 0.627901, "Placenta_Crossing_Weighted_Contribution": 1.02341, "Placenta_Crossing_Top_Rank": -0.0654694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O", "InChI_key": "QBUVZVXIRYFENV-UHFFFAOYSA-N" } }, "CID:125312786": { "type": "Drug", "properties": { "id": "CID:125312786", "label": "kin001-244", "lsm": "LSM-1081", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/125312786", "FDA_Category_D_L1000_Similarity": 2.59644, "FDA_Category_D_Structural_Similarity": -0.729996, "FDA_Category_D_Weighted_Contribution": 0.675482, "FDA_Category_D_Top_Rank": 1.11865, "FDA_Category_X_L1000_Similarity": 1.09931, "FDA_Category_X_Structural_Similarity": -0.549273, "FDA_Category_X_Weighted_Contribution": -0.121389, "FDA_Category_X_Top_Rank": -0.068054, "FDA_Category_D_and_X_L1000_Similarity": 2.57202, "FDA_Category_D_and_X_Structural_Similarity": -0.875793, "FDA_Category_D_and_X_Weighted_Contribution": 0.40645, "FDA_Category_D_and_X_Top_Rank": 0.633089, "Placenta_Crossing_L1000_Similarity": 1.80523, "Placenta_Crossing_Structural_Similarity": -0.89143, "Placenta_Crossing_Weighted_Contribution": -0.112553, "Placenta_Crossing_Top_Rank": 0.00121024, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(COC2=CC3=NC(=O)N=C3C=C2)NC(=O)C4=CC=CN(C4=O)CC5=CC(=C(C=C5)F)F", "InChI_key": "AHMXYULEXZAPCS-VWLOTQADSA-N" } }, "CID:125564": { "type": "Drug", "properties": { "id": "CID:125564", "label": "blonanserin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/125564", "IDG_ID": "388", "FDA_Category_D_L1000_Similarity": -1.00489, "FDA_Category_D_Structural_Similarity": 0.146481, "FDA_Category_D_Weighted_Contribution": -0.492269, "FDA_Category_D_Top_Rank": -0.0813058, "FDA_Category_X_L1000_Similarity": 0.720675, "FDA_Category_X_Structural_Similarity": -0.352535, "FDA_Category_X_Weighted_Contribution": -0.114491, "FDA_Category_X_Top_Rank": -0.0787578, "FDA_Category_D_and_X_L1000_Similarity": -0.647384, "FDA_Category_D_and_X_Structural_Similarity": -0.0739621, "FDA_Category_D_and_X_Weighted_Contribution": -0.498378, "FDA_Category_D_and_X_Top_Rank": -0.0877763, "Placenta_Crossing_L1000_Similarity": -0.398537, "Placenta_Crossing_Structural_Similarity": 0.0707168, "Placenta_Crossing_Weighted_Contribution": -0.250529, "Placenta_Crossing_Top_Rank": -0.0807227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F", "InChI_key": "XVGOZDAJGBALKS-UHFFFAOYSA-N" } }, "CID:128563": { "type": "Drug", "properties": { "id": "CID:128563", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID128563", "label": "salvinorin a", "FDA_Category_D_L1000_Similarity": -0.476344, "FDA_Category_D_Structural_Similarity": -0.0887062, "FDA_Category_D_Weighted_Contribution": -0.432214, "FDA_Category_D_Top_Rank": -0.0872906, "FDA_Category_X_L1000_Similarity": 2.30327, "FDA_Category_X_Structural_Similarity": 0.585557, "FDA_Category_X_Weighted_Contribution": 1.76977, "FDA_Category_X_Top_Rank": 0.0785595, "FDA_Category_D_and_X_L1000_Similarity": 0.288846, "FDA_Category_D_and_X_Structural_Similarity": 0.245557, "FDA_Category_D_and_X_Weighted_Contribution": 0.248769, "FDA_Category_D_and_X_Top_Rank": -0.0806752, "Placenta_Crossing_L1000_Similarity": 1.73691, "Placenta_Crossing_Structural_Similarity": -0.54512, "Placenta_Crossing_Weighted_Contribution": 0.180621, "Placenta_Crossing_Top_Rank": -0.0102809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC", "InChI_key": "OBSYBRPAKCASQB-AGQYDFLVSA-N" } }, "CID:129010090": { "type": "Drug", "properties": { "id": "CID:129010090", "label": "ginkgolide-a", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010090", "FDA_Category_D_L1000_Similarity": -0.826076, "FDA_Category_D_Structural_Similarity": -0.195698, "FDA_Category_D_Weighted_Contribution": -0.673876, "FDA_Category_D_Top_Rank": -0.0893741, "FDA_Category_X_L1000_Similarity": 1.20226, "FDA_Category_X_Structural_Similarity": -0.495086, "FDA_Category_X_Weighted_Contribution": -0.01971, "FDA_Category_X_Top_Rank": -0.0640913, "FDA_Category_D_and_X_L1000_Similarity": -0.346989, "FDA_Category_D_and_X_Structural_Similarity": -0.422474, "FDA_Category_D_and_X_Weighted_Contribution": -0.63412, "FDA_Category_D_and_X_Top_Rank": -0.0931977, "Placenta_Crossing_L1000_Similarity": 0.520838, "Placenta_Crossing_Structural_Similarity": -0.605879, "Placenta_Crossing_Weighted_Contribution": -0.426711, "Placenta_Crossing_Top_Rank": -0.0825671, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129211": { "type": "Drug", "properties": { "id": "CID:129211", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID129211", "label": "tamsulosin", "FDA_Category_D_L1000_Similarity": -0.00348915, "FDA_Category_D_Structural_Similarity": -0.471323, "FDA_Category_D_Weighted_Contribution": -0.517181, "FDA_Category_D_Top_Rank": -0.0921938, "FDA_Category_X_L1000_Similarity": 0.0681925, "FDA_Category_X_Structural_Similarity": 0.258066, "FDA_Category_X_Weighted_Contribution": 0.165479, "FDA_Category_X_Top_Rank": -0.0713182, "FDA_Category_D_and_X_L1000_Similarity": 0.0177046, "FDA_Category_D_and_X_Structural_Similarity": -0.234844, "FDA_Category_D_and_X_Weighted_Contribution": -0.327447, "FDA_Category_D_and_X_Top_Rank": -0.0907321, "Placenta_Crossing_L1000_Similarity": -0.259386, "Placenta_Crossing_Structural_Similarity": -0.289866, "Placenta_Crossing_Weighted_Contribution": -0.490508, "Placenta_Crossing_Top_Rank": -0.0873315, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N", "InChI_key": "DRHKJLXJIQTDTD-OAHLLOKOSA-N" } }, "CID:129228": { "type": "Drug", "properties": { "id": "CID:129228", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID129228", "label": "rufinamide", "FDA_Category_D_L1000_Similarity": 1.97224, "FDA_Category_D_Structural_Similarity": -0.65852, "FDA_Category_D_Weighted_Contribution": 0.368425, "FDA_Category_D_Top_Rank": 0.174277, "FDA_Category_X_L1000_Similarity": 1.52681, "FDA_Category_X_Structural_Similarity": -0.638829, "FDA_Category_X_Weighted_Contribution": -0.00146187, "FDA_Category_X_Top_Rank": -0.0451941, "FDA_Category_D_and_X_L1000_Similarity": 2.16377, "FDA_Category_D_and_X_Structural_Similarity": -0.867386, "FDA_Category_D_and_X_Weighted_Contribution": 0.188432, "FDA_Category_D_and_X_Top_Rank": 0.18262, "Placenta_Crossing_L1000_Similarity": 2.01146, "Placenta_Crossing_Structural_Similarity": -0.802604, "Placenta_Crossing_Weighted_Contribution": 0.0668752, "Placenta_Crossing_Top_Rank": 0.0468421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F", "InChI_key": "POGQSBRIGCQNEG-UHFFFAOYSA-N" } }, "CID:13186954": { "type": "Drug", "properties": { "id": "CID:13186954", "label": "ku-c103656", "lsm": "LSM-2531", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13186954", "FDA_Category_D_L1000_Similarity": 1.18808, "FDA_Category_D_Structural_Similarity": -0.35482, "FDA_Category_D_Weighted_Contribution": 0.211903, "FDA_Category_D_Top_Rank": -0.0499616, "FDA_Category_X_L1000_Similarity": 0.831042, "FDA_Category_X_Structural_Similarity": -0.351145, "FDA_Category_X_Weighted_Contribution": -0.0602736, "FDA_Category_X_Top_Rank": -0.0761536, "FDA_Category_D_and_X_L1000_Similarity": 1.27652, "FDA_Category_D_and_X_Structural_Similarity": -0.471102, "FDA_Category_D_and_X_Weighted_Contribution": 0.0916067, "FDA_Category_D_and_X_Top_Rank": -0.0489768, "Placenta_Crossing_L1000_Similarity": 0.782217, "Placenta_Crossing_Structural_Similarity": 1.15951, "Placenta_Crossing_Weighted_Contribution": 1.46392, "Placenta_Crossing_Top_Rank": -0.0421562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(S2)C3=CC(=CC=C3)Cl", "InChI_key": "BFXLBNPIMRUZFI-UHFFFAOYSA-N" } }, "CID:133076": { "type": "Drug", "properties": { "id": "CID:133076", "label": "rs-67506", "lsm": "LSM-3100", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133076", "FDA_Category_D_L1000_Similarity": -0.485038, "FDA_Category_D_Structural_Similarity": -0.341365, "FDA_Category_D_Weighted_Contribution": -0.633932, "FDA_Category_D_Top_Rank": -0.0920949, "FDA_Category_X_L1000_Similarity": -0.500827, "FDA_Category_X_Structural_Similarity": -0.616341, "FDA_Category_X_Weighted_Contribution": -0.839529, "FDA_Category_X_Top_Rank": -0.0900419, "FDA_Category_D_and_X_L1000_Similarity": -0.570209, "FDA_Category_D_and_X_Structural_Similarity": -0.603521, "FDA_Category_D_and_X_Weighted_Contribution": -0.84451, "FDA_Category_D_and_X_Top_Rank": -0.0948122, "Placenta_Crossing_L1000_Similarity": 0.332718, "Placenta_Crossing_Structural_Similarity": 0.454204, "Placenta_Crossing_Weighted_Contribution": 0.46806, "Placenta_Crossing_Top_Rank": -0.0709094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N", "InChI_key": "UATDVRSFFGFTAI-UHFFFAOYSA-N" } }, "CID:133538": { "type": "Drug", "properties": { "id": "CID:133538", "label": "SKF-83959", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133538", "FDA_Category_D_L1000_Similarity": -0.179412, "FDA_Category_D_Structural_Similarity": -0.508166, "FDA_Category_D_Weighted_Contribution": -0.624824, "FDA_Category_D_Top_Rank": -0.0935642, "FDA_Category_X_L1000_Similarity": 0.446132, "FDA_Category_X_Structural_Similarity": -0.570729, "FDA_Category_X_Weighted_Contribution": -0.435406, "FDA_Category_X_Top_Rank": -0.0831749, "FDA_Category_D_and_X_L1000_Similarity": -0.019182, "FDA_Category_D_and_X_Structural_Similarity": -0.711301, "FDA_Category_D_and_X_Weighted_Contribution": -0.709207, "FDA_Category_D_and_X_Top_Rank": -0.0923566, "Placenta_Crossing_L1000_Similarity": -0.678923, "Placenta_Crossing_Structural_Similarity": -0.599195, "Placenta_Crossing_Weighted_Contribution": -0.864768, "Placenta_Crossing_Top_Rank": -0.0905551, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:134141": { "type": "Drug", "properties": { "id": "CID:134141", "label": "fluphenazine", "lsm": "LSM-3226", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/134141", "IDG_ID": "1212", "FDA_Category_D_L1000_Similarity": -2.34439, "FDA_Category_D_Structural_Similarity": 0.0866262, "FDA_Category_D_Weighted_Contribution": -1.06686, "FDA_Category_D_Top_Rank": -0.0829191, "FDA_Category_X_L1000_Similarity": 1.7966, "FDA_Category_X_Structural_Similarity": -0.221105, "FDA_Category_X_Weighted_Contribution": 0.573399, "FDA_Category_X_Top_Rank": -0.0194223, "FDA_Category_D_and_X_L1000_Similarity": -1.47531, "FDA_Category_D_and_X_Structural_Similarity": -0.0505508, "FDA_Category_D_and_X_Weighted_Contribution": -0.814796, "FDA_Category_D_and_X_Top_Rank": -0.0872947, "Placenta_Crossing_L1000_Similarity": -2.81122, "Placenta_Crossing_Structural_Similarity": 1.4993, "Placenta_Crossing_Weighted_Contribution": -0.0681367, "Placenta_Crossing_Top_Rank": -0.0200779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCCl", "InChI_key": "WHVNGICQKYBDDP-UHFFFAOYSA-N" } }, "CID:135398506": { "type": "Drug", "properties": { "id": "CID:135398506", "label": "sb-590885", "lsm": "LSM-1046", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135398506", "FDA_Category_D_L1000_Similarity": 1.26748, "FDA_Category_D_Structural_Similarity": 0.183193, "FDA_Category_D_Weighted_Contribution": 0.820153, "FDA_Category_D_Top_Rank": -0.0417815, "FDA_Category_X_L1000_Similarity": 2.56528, "FDA_Category_X_Structural_Similarity": 1.17911, "FDA_Category_X_Weighted_Contribution": 2.54034, "FDA_Category_X_Top_Rank": 0.198169, "FDA_Category_D_and_X_L1000_Similarity": 1.87162, "FDA_Category_D_and_X_Structural_Similarity": 0.781646, "FDA_Category_D_and_X_Weighted_Contribution": 1.7402, "FDA_Category_D_and_X_Top_Rank": 0.0513073, "Placenta_Crossing_L1000_Similarity": 1.00269, "Placenta_Crossing_Structural_Similarity": 0.438795, "Placenta_Crossing_Weighted_Contribution": 0.808007, "Placenta_Crossing_Top_Rank": -0.0703137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5", "InChI_key": "MLSAQOINCGAULQ-QLTSDVKISA-N" } }, "CID:135470813": { "type": "Drug", "properties": { "id": "CID:135470813", "label": "mw-stk33-2c", "lsm": "LSM-4798", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135470813", "FDA_Category_D_L1000_Similarity": 1.00714, "FDA_Category_X_L1000_Similarity": 0.482948, "FDA_Category_D_and_X_L1000_Similarity": 1.01484, "Placenta_Crossing_L1000_Similarity": 0.568413, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)O", "InChI_key": "ULUUPBXLBTXAFU-LICLKQGHSA-N" } }, "CID:1356208": { "type": "Drug", "properties": { "id": "CID:1356208", "label": "sant-1", "lsm": "LSM-3880", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1356208", "FDA_Category_D_L1000_Similarity": 0.497137, "FDA_Category_D_Structural_Similarity": -0.579339, "FDA_Category_D_Weighted_Contribution": -0.366371, "FDA_Category_D_Top_Rank": -0.0853203, "FDA_Category_X_L1000_Similarity": 0.711198, "FDA_Category_X_Structural_Similarity": -0.726816, "FDA_Category_X_Weighted_Contribution": -0.455331, "FDA_Category_X_Top_Rank": -0.0789398, "FDA_Category_D_and_X_L1000_Similarity": 0.644516, "FDA_Category_D_and_X_Structural_Similarity": -0.852016, "FDA_Category_D_and_X_Weighted_Contribution": -0.539892, "FDA_Category_D_and_X_Top_Rank": -0.0825511, "Placenta_Crossing_L1000_Similarity": 1.02957, "Placenta_Crossing_Structural_Similarity": -0.955203, "Placenta_Crossing_Weighted_Contribution": -0.499513, "Placenta_Crossing_Top_Rank": -0.0695087, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)CC4=CC=CC=C4", "InChI_key": "FOORCIAZMIWALX-UHFFFAOYSA-N" } }, "CID:135883127": { "type": "Drug", "properties": { "id": "CID:135883127", "label": "BG-1017", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135883127", "FDA_Category_D_L1000_Similarity": -0.282254, "FDA_Category_D_Structural_Similarity": 1.58649, "FDA_Category_D_Weighted_Contribution": 1.36092, "FDA_Category_D_Top_Rank": -0.00758477, "FDA_Category_X_L1000_Similarity": 1.39552, "FDA_Category_X_Structural_Similarity": 0.407853, "FDA_Category_X_Weighted_Contribution": 1.0519, "FDA_Category_X_Top_Rank": -0.053578, "FDA_Category_D_and_X_L1000_Similarity": 0.180486, "FDA_Category_D_and_X_Structural_Similarity": 1.4793, "FDA_Category_D_and_X_Weighted_Contribution": 1.47667, "FDA_Category_D_and_X_Top_Rank": -0.017216, "Placenta_Crossing_L1000_Similarity": -0.046382, "Placenta_Crossing_Structural_Similarity": -0.133335, "Placenta_Crossing_Weighted_Contribution": -0.272436, "Placenta_Crossing_Top_Rank": -0.0848564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:135886613": { "type": "Drug", "properties": { "id": "CID:135886613", "label": "BG-1031", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135886613", "FDA_Category_D_L1000_Similarity": 1.27006, "FDA_Category_D_Structural_Similarity": 1.58649, "FDA_Category_D_Weighted_Contribution": 2.31393, "FDA_Category_D_Top_Rank": -0.00758477, "FDA_Category_X_L1000_Similarity": 1.19567, "FDA_Category_X_Structural_Similarity": 0.407853, "FDA_Category_X_Weighted_Contribution": 0.938607, "FDA_Category_X_Top_Rank": -0.0644163, "FDA_Category_D_and_X_L1000_Similarity": 1.45793, "FDA_Category_D_and_X_Structural_Similarity": 1.4793, "FDA_Category_D_and_X_Weighted_Contribution": 2.20852, "FDA_Category_D_and_X_Top_Rank": -0.017216, "Placenta_Crossing_L1000_Similarity": 0.748418, "Placenta_Crossing_Structural_Similarity": -0.133335, "Placenta_Crossing_Weighted_Contribution": 0.0940465, "Placenta_Crossing_Top_Rank": -0.0777062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:135886614": { "type": "Drug", "properties": { "id": "CID:135886614", "label": "BG-1018", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135886614", "FDA_Category_D_L1000_Similarity": 0.555635, "FDA_Category_D_Structural_Similarity": 1.08919, "FDA_Category_D_Weighted_Contribution": 1.35364, "FDA_Category_D_Top_Rank": -0.0460221, "FDA_Category_X_L1000_Similarity": -0.666877, "FDA_Category_X_Structural_Similarity": 0.709894, "FDA_Category_X_Weighted_Contribution": 0.251828, "FDA_Category_X_Top_Rank": -0.0536687, "FDA_Category_D_and_X_L1000_Similarity": 0.276448, "FDA_Category_D_and_X_Structural_Similarity": 1.24756, "FDA_Category_D_and_X_Weighted_Contribution": 1.28676, "FDA_Category_D_and_X_Top_Rank": -0.0357691, "Placenta_Crossing_L1000_Similarity": -0.47691, "Placenta_Crossing_Structural_Similarity": -0.453942, "Placenta_Crossing_Weighted_Contribution": -0.696581, "Placenta_Crossing_Top_Rank": -0.089272, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13711": { "type": "Drug", "properties": { "id": "CID:13711", "label": "2'-deoxycytidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13711", "FDA_Category_D_L1000_Similarity": 1.1157, "FDA_Category_D_Structural_Similarity": 5.76317, "FDA_Category_D_Weighted_Contribution": 4.30858, "FDA_Category_D_Top_Rank": 1.81099, "FDA_Category_X_L1000_Similarity": 0.886757, "FDA_Category_X_Structural_Similarity": -0.654723, "FDA_Category_X_Weighted_Contribution": -0.316323, "FDA_Category_X_Top_Rank": -0.0748319, "FDA_Category_D_and_X_L1000_Similarity": 1.23104, "FDA_Category_D_and_X_Structural_Similarity": 4.22102, "FDA_Category_D_and_X_Weighted_Contribution": 3.87369, "FDA_Category_D_and_X_Top_Rank": 0.853929, "Placenta_Crossing_L1000_Similarity": 1.49133, "Placenta_Crossing_Structural_Similarity": 2.97251, "Placenta_Crossing_Weighted_Contribution": 3.36862, "Placenta_Crossing_Top_Rank": 0.189694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=CC(=NC2=O)N)CO)O", "InChI_key": "CKTSBUTUHBMZGZ-SHYZEUOFSA-N" } }, "CID:1401": { "type": "Drug", "properties": { "id": "CID:1401", "label": "pd-173074", "lsm": "LSM-1026", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1401", "FDA_Category_D_L1000_Similarity": -0.721879, "FDA_Category_D_Structural_Similarity": 1.04478, "FDA_Category_D_Weighted_Contribution": 0.49807, "FDA_Category_D_Top_Rank": -0.0481281, "FDA_Category_X_L1000_Similarity": 0.692518, "FDA_Category_X_Structural_Similarity": 0.5177, "FDA_Category_X_Weighted_Contribution": 0.779188, "FDA_Category_X_Top_Rank": -0.0613451, "FDA_Category_D_and_X_L1000_Similarity": -0.411968, "FDA_Category_D_and_X_Structural_Similarity": 1.10861, "FDA_Category_D_and_X_Weighted_Contribution": 0.72764, "FDA_Category_D_and_X_Top_Rank": -0.0455097, "Placenta_Crossing_L1000_Similarity": -0.779118, "Placenta_Crossing_Structural_Similarity": -0.303331, "Placenta_Crossing_Weighted_Contribution": -0.698506, "Placenta_Crossing_Top_Rank": -0.0875546, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C", "InChI_key": "DXCUKNQANPLTEJ-UHFFFAOYSA-N" } }, "CID:148198": { "type": "Drug", "properties": { "id": "CID:148198", "label": "chs-828", "lsm": "LSM-6247", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/148198", "FDA_Category_D_L1000_Similarity": 0.912595, "FDA_Category_D_Structural_Similarity": -0.612714, "FDA_Category_D_Weighted_Contribution": -0.184258, "FDA_Category_D_Top_Rank": -0.070853, "FDA_Category_X_L1000_Similarity": 0.677151, "FDA_Category_X_Structural_Similarity": -0.606305, "FDA_Category_X_Weighted_Contribution": -0.366224, "FDA_Category_X_Top_Rank": -0.0795724, "FDA_Category_D_and_X_L1000_Similarity": 0.9923, "FDA_Category_D_and_X_Structural_Similarity": -0.813479, "FDA_Category_D_and_X_Weighted_Contribution": -0.354273, "FDA_Category_D_and_X_Top_Rank": -0.0696797, "Placenta_Crossing_L1000_Similarity": 1.02759, "Placenta_Crossing_Structural_Similarity": -0.802191, "Placenta_Crossing_Weighted_Contribution": -0.376977, "Placenta_Crossing_Top_Rank": -0.0695699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl", "InChI_key": "BOIPLTNGIAPDBY-UHFFFAOYSA-N" } }, "CID:150311": { "type": "Drug", "properties": { "id": "CID:150311", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID150311", "label": "ezetimibe", "FDA_Category_D_L1000_Similarity": -1.77213, "FDA_Category_D_Structural_Similarity": -0.866513, "FDA_Category_D_Weighted_Contribution": -1.36906, "FDA_Category_D_Top_Rank": -0.096831, "FDA_Category_X_L1000_Similarity": 0.153126, "FDA_Category_X_Structural_Similarity": -0.619214, "FDA_Category_X_Weighted_Contribution": -0.596387, "FDA_Category_X_Top_Rank": -0.0864138, "FDA_Category_D_and_X_L1000_Similarity": -1.4811, "FDA_Category_D_and_X_Structural_Similarity": -1.02189, "FDA_Category_D_and_X_Weighted_Contribution": -1.33354, "FDA_Category_D_and_X_Top_Rank": -0.0966462, "Placenta_Crossing_L1000_Similarity": -2.31433, "Placenta_Crossing_Structural_Similarity": -0.0677273, "Placenta_Crossing_Weighted_Contribution": -1.04514, "Placenta_Crossing_Top_Rank": -0.0835839, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O", "InChI_key": "OLNTVTPDXPETLC-XPWALMASSA-N" } }, "CID:1505783": { "type": "Drug", "properties": { "id": "CID:1505783", "label": "stk-661558", "lsm": "LSM-2431", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1505783", "FDA_Category_D_L1000_Similarity": -0.832985, "FDA_Category_D_Structural_Similarity": -0.826526, "FDA_Category_D_Weighted_Contribution": -1.08265, "FDA_Category_D_Top_Rank": -0.0960106, "FDA_Category_X_L1000_Similarity": 0.248226, "FDA_Category_X_Structural_Similarity": -0.511837, "FDA_Category_X_Weighted_Contribution": -0.469422, "FDA_Category_X_Top_Rank": -0.0854717, "FDA_Category_D_and_X_L1000_Similarity": -0.642663, "FDA_Category_D_and_X_Structural_Similarity": -0.93221, "FDA_Category_D_and_X_Weighted_Contribution": -1.06474, "FDA_Category_D_and_X_Top_Rank": -0.0955059, "Placenta_Crossing_L1000_Similarity": -1.5461, "Placenta_Crossing_Structural_Similarity": -0.234539, "Placenta_Crossing_Weighted_Contribution": -0.912544, "Placenta_Crossing_Top_Rank": -0.0864853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=CC(=C(C=C4)Cl)Cl", "InChI_key": "AOIWSYFLKMQHLZ-UHFFFAOYSA-N" } }, "CID:151075": { "type": "Drug", "properties": { "id": "CID:151075", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID151075", "label": "nepafenac", "FDA_Category_D_L1000_Similarity": 1.51562, "FDA_Category_D_Structural_Similarity": -0.177484, "FDA_Category_D_Weighted_Contribution": 0.590287, "FDA_Category_D_Top_Rank": -0.00497152, "FDA_Category_X_L1000_Similarity": 0.564115, "FDA_Category_X_Structural_Similarity": 0.0931785, "FDA_Category_X_Weighted_Contribution": 0.25108, "FDA_Category_X_Top_Rank": -0.0773559, "FDA_Category_D_and_X_L1000_Similarity": 1.4778, "FDA_Category_D_and_X_Structural_Similarity": -0.0905924, "FDA_Category_D_and_X_Weighted_Contribution": 0.581935, "FDA_Category_D_and_X_Top_Rank": -0.0265872, "Placenta_Crossing_L1000_Similarity": 1.66156, "Placenta_Crossing_Structural_Similarity": -0.535746, "Placenta_Crossing_Weighted_Contribution": 0.152589, "Placenta_Crossing_Top_Rank": -0.0201908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N", "InChI_key": "QEFAQIPZVLVERP-UHFFFAOYSA-N" } }, "CID:151819": { "type": "Drug", "properties": { "id": "CID:151819", "label": "bl-050", "lsm": "LSM-5224", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/151819", "FDA_Category_D_L1000_Similarity": 0.859637, "FDA_Category_D_Structural_Similarity": -0.456099, "FDA_Category_D_Weighted_Contribution": -0.0698889, "FDA_Category_D_Top_Rank": -0.0733321, "FDA_Category_X_L1000_Similarity": 1.27818, "FDA_Category_X_Structural_Similarity": 0.157745, "FDA_Category_X_Weighted_Contribution": 0.704795, "FDA_Category_X_Top_Rank": -0.060523, "FDA_Category_D_and_X_L1000_Similarity": 1.12919, "FDA_Category_D_and_X_Structural_Similarity": -0.276893, "FDA_Category_D_and_X_Weighted_Contribution": 0.19865, "FDA_Category_D_and_X_Top_Rank": -0.0606053, "Placenta_Crossing_L1000_Similarity": 1.57891, "Placenta_Crossing_Structural_Similarity": -0.481335, "Placenta_Crossing_Weighted_Contribution": 0.164698, "Placenta_Crossing_Top_Rank": -0.0310618, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1I)O)I)CCC(=O)O", "InChI_key": "REWXSFYNOFYMNX-UHFFFAOYSA-N" } }, "CID:15224271": { "type": "Drug", "properties": { "id": "CID:15224271", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15224271", "label": "Anidulafungin", "FDA_Category_D_L1000_Similarity": 1.0385, "FDA_Category_D_Structural_Similarity": 0.465632, "FDA_Category_D_Weighted_Contribution": 0.980984, "FDA_Category_D_Top_Rank": -0.0630313, "FDA_Category_X_L1000_Similarity": 0.624105, "FDA_Category_X_Structural_Similarity": 0.131643, "FDA_Category_X_Weighted_Contribution": 0.322566, "FDA_Category_X_Top_Rank": -0.0759856, "FDA_Category_D_and_X_L1000_Similarity": 1.08473, "FDA_Category_D_and_X_Structural_Similarity": 0.440612, "FDA_Category_D_and_X_Weighted_Contribution": 0.90838, "FDA_Category_D_and_X_Top_Rank": -0.0637423, "Placenta_Crossing_L1000_Similarity": -0.102201, "Placenta_Crossing_Structural_Similarity": -0.0268124, "Placenta_Crossing_Weighted_Contribution": -0.20446, "Placenta_Crossing_Top_Rank": -0.0828287, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:153005": { "type": "Drug", "properties": { "id": "CID:153005", "label": "tyramine o-sulfate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/153005", "IDG_ID": "2784", "FDA_Category_D_L1000_Similarity": 0.899111, "FDA_Category_D_Structural_Similarity": -0.463597, "FDA_Category_D_Weighted_Contribution": -0.0553977, "FDA_Category_D_Top_Rank": -0.0714932, "FDA_Category_X_L1000_Similarity": -0.0572245, "FDA_Category_X_Structural_Similarity": 0.0191703, "FDA_Category_X_Weighted_Contribution": -0.131139, "FDA_Category_X_Top_Rank": -0.0793194, "FDA_Category_D_and_X_L1000_Similarity": 0.757665, "FDA_Category_D_and_X_Structural_Similarity": -0.357619, "FDA_Category_D_and_X_Weighted_Contribution": -0.0729351, "FDA_Category_D_and_X_Top_Rank": -0.0793067, "Placenta_Crossing_L1000_Similarity": 0.694432, "Placenta_Crossing_Structural_Similarity": 0.00816194, "Placenta_Crossing_Weighted_Contribution": 0.20449, "Placenta_Crossing_Top_Rank": -0.0790495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCN)OS(=O)(=O)O", "InChI_key": "DYDUXGMDSXJQFT-UHFFFAOYSA-N" } }, "CID:15331": { "type": "Drug", "properties": { "id": "CID:15331", "label": "daminozide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15331", "FDA_Category_D_L1000_Similarity": 1.64993, "FDA_Category_D_Structural_Similarity": -0.875024, "FDA_Category_D_Weighted_Contribution": -0.0290463, "FDA_Category_D_Top_Rank": 0.0273767, "FDA_Category_X_L1000_Similarity": 1.47546, "FDA_Category_X_Structural_Similarity": -0.719296, "FDA_Category_X_Weighted_Contribution": -0.104079, "FDA_Category_X_Top_Rank": -0.0486061, "FDA_Category_D_and_X_L1000_Similarity": 1.87033, "FDA_Category_D_and_X_Structural_Similarity": -1.08265, "FDA_Category_D_and_X_Weighted_Contribution": -0.163626, "FDA_Category_D_and_X_Top_Rank": 0.0508935, "Placenta_Crossing_L1000_Similarity": 2.35156, "Placenta_Crossing_Structural_Similarity": 1.22342, "Placenta_Crossing_Weighted_Contribution": 2.34407, "Placenta_Crossing_Top_Rank": 0.177938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:15376": { "type": "Drug", "properties": { "id": "CID:15376", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15376", "label": "vincamine", "FDA_Category_D_L1000_Similarity": -0.200734, "FDA_Category_D_Structural_Similarity": -0.260955, "FDA_Category_D_Weighted_Contribution": -0.44108, "FDA_Category_D_Top_Rank": -0.0906834, "FDA_Category_X_L1000_Similarity": 0.705916, "FDA_Category_X_Structural_Similarity": 0.596062, "FDA_Category_X_Weighted_Contribution": 0.874508, "FDA_Category_X_Top_Rank": -0.0580262, "FDA_Category_D_and_X_L1000_Similarity": 0.0413316, "FDA_Category_D_and_X_Structural_Similarity": 0.114509, "FDA_Category_D_and_X_Weighted_Contribution": -0.00831707, "FDA_Category_D_and_X_Top_Rank": -0.0836907, "Placenta_Crossing_L1000_Similarity": 1.61638, "Placenta_Crossing_Structural_Similarity": -0.20481, "Placenta_Crossing_Weighted_Contribution": 0.460059, "Placenta_Crossing_Top_Rank": -0.027079, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O", "InChI_key": "RXPRRQLKFXBCSJ-GIVPXCGWSA-N" } }, "CID:15443": { "type": "Drug", "properties": { "id": "CID:15443", "label": "azaperone", "lsm": "LSM-3012", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15443", "FDA_Category_D_L1000_Similarity": -0.280905, "FDA_Category_D_Structural_Similarity": -0.332592, "FDA_Category_D_Weighted_Contribution": -0.53582, "FDA_Category_D_Top_Rank": -0.0919423, "FDA_Category_X_L1000_Similarity": 0.803139, "FDA_Category_X_Structural_Similarity": -0.0400542, "FDA_Category_X_Weighted_Contribution": 0.236975, "FDA_Category_X_Top_Rank": -0.0768255, "FDA_Category_D_and_X_L1000_Similarity": 0.00175041, "FDA_Category_D_and_X_Structural_Similarity": -0.285596, "FDA_Category_D_and_X_Weighted_Contribution": -0.376797, "FDA_Category_D_and_X_Top_Rank": -0.0915202, "Placenta_Crossing_L1000_Similarity": 0.777166, "Placenta_Crossing_Structural_Similarity": -0.199528, "Placenta_Crossing_Weighted_Contribution": 0.0450081, "Placenta_Crossing_Top_Rank": -0.0769828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3", "InChI_key": "XTKDAFGWCDAMPY-UHFFFAOYSA-N" } }, "CID:15541": { "type": "Drug", "properties": { "id": "CID:15541", "label": "spectinomycin", "lsm": "LSM-5298", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15541", "FDA_Category_D_L1000_Similarity": 1.49834, "FDA_Category_D_Structural_Similarity": 2.74321, "FDA_Category_D_Weighted_Contribution": 3.36105, "FDA_Category_D_Top_Rank": 0.174277, "FDA_Category_X_L1000_Similarity": 0.660485, "FDA_Category_X_Structural_Similarity": -0.58374, "FDA_Category_X_Weighted_Contribution": -0.353738, "FDA_Category_X_Top_Rank": -0.080005, "FDA_Category_D_and_X_L1000_Similarity": 1.49216, "FDA_Category_D_and_X_Structural_Similarity": 1.86234, "FDA_Category_D_and_X_Weighted_Contribution": 2.5786, "FDA_Category_D_and_X_Top_Rank": 0.0207033, "Placenta_Crossing_L1000_Similarity": 1.869, "Placenta_Crossing_Structural_Similarity": 1.62449, "Placenta_Crossing_Weighted_Contribution": 2.48953, "Placenta_Crossing_Top_Rank": 0.0144817, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O", "InChI_key": "UNFWWIHTNXNPBV-WXKVUWSESA-N" } }, "CID:15604015": { "type": "Drug", "properties": { "id": "CID:15604015", "label": "abc-294640", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15604015", "FDA_Category_D_L1000_Similarity": 1.39796, "FDA_Category_D_Structural_Similarity": -0.715093, "FDA_Category_D_Weighted_Contribution": -0.017429, "FDA_Category_D_Top_Rank": -0.0248977, "FDA_Category_X_L1000_Similarity": 0.524966, "FDA_Category_X_Structural_Similarity": 0.0265001, "FDA_Category_X_Weighted_Contribution": 0.162429, "FDA_Category_X_Top_Rank": -0.0790987, "FDA_Category_D_and_X_L1000_Similarity": 1.36449, "FDA_Category_D_and_X_Structural_Similarity": -0.553279, "FDA_Category_D_and_X_Weighted_Contribution": 0.0605905, "FDA_Category_D_and_X_Top_Rank": -0.0409692, "Placenta_Crossing_L1000_Similarity": 0.664513, "Placenta_Crossing_Structural_Similarity": -1.00832, "Placenta_Crossing_Weighted_Contribution": -0.678903, "Placenta_Crossing_Top_Rank": -0.0797313, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl", "InChI_key": "CAOTVXGYTWCKQE-UHFFFAOYSA-N" } }, "CID:156391": { "type": "Drug", "properties": { "id": "CID:156391", "label": "naproxen", "lsm": "LSM-5689", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/156391", "IDG_ID": "1883", "FDA_Category_D_L1000_Similarity": 1.83245, "FDA_Category_D_Structural_Similarity": -0.871956, "FDA_Category_D_Weighted_Contribution": 0.0753249, "FDA_Category_D_Top_Rank": 0.0845274, "FDA_Category_X_L1000_Similarity": 2.12753, "FDA_Category_X_Structural_Similarity": -0.196754, "FDA_Category_X_Weighted_Contribution": 0.783243, "FDA_Category_X_Top_Rank": 0.0351883, "FDA_Category_D_and_X_L1000_Similarity": 2.22569, "FDA_Category_D_and_X_Structural_Similarity": -0.798251, "FDA_Category_D_and_X_Weighted_Contribution": 0.290034, "FDA_Category_D_and_X_Top_Rank": 0.230784, "Placenta_Crossing_L1000_Similarity": 2.00147, "Placenta_Crossing_Structural_Similarity": -0.854015, "Placenta_Crossing_Weighted_Contribution": 0.0135993, "Placenta_Crossing_Top_Rank": 0.044544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O", "InChI_key": "CMWTZPSULFXXJA-VIFPVBQESA-N" } }, "CID:158794": { "type": "Drug", "properties": { "id": "CID:158794", "label": "zd-2079", "lsm": "LSM-3433", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/158794", "FDA_Category_D_L1000_Similarity": 1.53439, "FDA_Category_D_Structural_Similarity": 0.467509, "FDA_Category_D_Weighted_Contribution": 1.30055, "FDA_Category_D_Top_Rank": -0.00113578, "FDA_Category_X_L1000_Similarity": 0.361806, "FDA_Category_X_Structural_Similarity": 1.6353, "FDA_Category_X_Weighted_Contribution": 1.857, "FDA_Category_X_Top_Rank": 0.00165618, "FDA_Category_D_and_X_L1000_Similarity": 1.43254, "FDA_Category_D_and_X_Structural_Similarity": 1.25347, "FDA_Category_D_and_X_Weighted_Contribution": 1.97155, "FDA_Category_D_and_X_Top_Rank": -0.0328495, "Placenta_Crossing_L1000_Similarity": 2.29677, "Placenta_Crossing_Structural_Similarity": 2.14082, "Placenta_Crossing_Weighted_Contribution": 3.08923, "Placenta_Crossing_Top_Rank": 0.154701, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(CNCCOC2=CC=C(C=C2)CC(=O)O)O", "InChI_key": "SRBPKVWITYPHQR-KRWDZBQOSA-N" } }, "CID:15983966": { "type": "Drug", "properties": { "id": "CID:15983966", "label": "gsk-461364", "lsm": "LSM-1013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15983966", "FDA_Category_D_L1000_Similarity": -0.911954, "FDA_Category_D_Structural_Similarity": -0.200859, "FDA_Category_D_Weighted_Contribution": -0.714013, "FDA_Category_D_Top_Rank": -0.0894918, "FDA_Category_X_L1000_Similarity": -0.375451, "FDA_Category_X_Structural_Similarity": -0.66853, "FDA_Category_X_Weighted_Contribution": -0.832102, "FDA_Category_X_Top_Rank": -0.0895853, "FDA_Category_D_and_X_L1000_Similarity": -0.900142, "FDA_Category_D_and_X_Structural_Similarity": -0.52016, "FDA_Category_D_and_X_Weighted_Contribution": -0.908691, "FDA_Category_D_and_X_Top_Rank": -0.0941726, "Placenta_Crossing_L1000_Similarity": -1.01772, "Placenta_Crossing_Structural_Similarity": -0.697332, "Placenta_Crossing_Weighted_Contribution": -1.0291, "Placenta_Crossing_Top_Rank": -0.0912312, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N", "InChI_key": "ZHJGWYRLJUCMRT-QGZVFWFLSA-N" } }, "CID:16038120": { "type": "Drug", "properties": { "id": "CID:16038120", "label": "nvp-tae684", "lsm": "LSM-1024", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16038120", "FDA_Category_D_L1000_Similarity": -2.06045, "FDA_Category_D_Structural_Similarity": 0.215654, "FDA_Category_D_Weighted_Contribution": -0.888214, "FDA_Category_D_Top_Rank": -0.0795005, "FDA_Category_X_L1000_Similarity": 1.01973, "FDA_Category_X_Structural_Similarity": 0.251826, "FDA_Category_X_Weighted_Contribution": 0.665812, "FDA_Category_X_Top_Rank": -0.0708653, "FDA_Category_D_and_X_L1000_Similarity": -1.46646, "FDA_Category_D_and_X_Structural_Similarity": 0.307052, "FDA_Category_D_and_X_Weighted_Contribution": -0.558348, "FDA_Category_D_and_X_Top_Rank": -0.0792279, "Placenta_Crossing_L1000_Similarity": -1.94873, "Placenta_Crossing_Structural_Similarity": 0.213624, "Placenta_Crossing_Weighted_Contribution": -0.752116, "Placenta_Crossing_Top_Rank": -0.0774276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC", "InChI_key": "QQWUGDVOUVUTOY-UHFFFAOYSA-N" } }, "CID:16061509": { "type": "Drug", "properties": { "id": "CID:16061509", "label": "bavisant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16061509", "FDA_Category_D_L1000_Similarity": -0.418986, "FDA_Category_D_Structural_Similarity": 2.0252, "FDA_Category_D_Weighted_Contribution": 1.74921, "FDA_Category_D_Top_Rank": 0.051233, "FDA_Category_X_L1000_Similarity": 1.15398, "FDA_Category_X_Structural_Similarity": -0.494406, "FDA_Category_X_Weighted_Contribution": -0.0425359, "FDA_Category_X_Top_Rank": -0.0661398, "FDA_Category_D_and_X_L1000_Similarity": -0.0107269, "FDA_Category_D_and_X_Structural_Similarity": 1.34065, "FDA_Category_D_and_X_Weighted_Contribution": 1.21405, "FDA_Category_D_and_X_Top_Rank": -0.0273931, "Placenta_Crossing_L1000_Similarity": 0.32413, "Placenta_Crossing_Structural_Similarity": 0.547759, "Placenta_Crossing_Weighted_Contribution": 0.560188, "Placenta_Crossing_Top_Rank": -0.068294, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4", "InChI_key": "BGBVSGSIXIIREO-UHFFFAOYSA-N" } }, "CID:16095342": { "type": "Drug", "properties": { "id": "CID:16095342", "label": "GSK-269962", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16095342", "FDA_Category_D_L1000_Similarity": -1.37727, "FDA_Category_D_Structural_Similarity": -0.740907, "FDA_Category_D_Weighted_Contribution": -1.20586, "FDA_Category_D_Top_Rank": -0.0961483, "FDA_Category_X_L1000_Similarity": -0.870188, "FDA_Category_X_Structural_Similarity": -0.0659989, "FDA_Category_X_Weighted_Contribution": -0.563356, "FDA_Category_X_Top_Rank": -0.0813124, "FDA_Category_D_and_X_L1000_Similarity": -1.45149, "FDA_Category_D_and_X_Structural_Similarity": -0.623681, "FDA_Category_D_and_X_Weighted_Contribution": -1.14151, "FDA_Category_D_and_X_Top_Rank": -0.0949639, "Placenta_Crossing_L1000_Similarity": -0.582536, "Placenta_Crossing_Structural_Similarity": -0.522351, "Placenta_Crossing_Weighted_Contribution": -0.781512, "Placenta_Crossing_Top_Rank": -0.0898813, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16122663": { "type": "Drug", "properties": { "id": "CID:16122663", "label": "mericitabine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16122663", "FDA_Category_D_L1000_Similarity": 0.960737, "FDA_Category_D_Structural_Similarity": 3.3398, "FDA_Category_D_Weighted_Contribution": 3.52932, "FDA_Category_D_Top_Rank": 0.30126, "FDA_Category_X_L1000_Similarity": -0.0383715, "FDA_Category_X_Structural_Similarity": -0.526143, "FDA_Category_X_Weighted_Contribution": -0.598582, "FDA_Category_X_Top_Rank": -0.0878432, "FDA_Category_D_and_X_L1000_Similarity": 0.816512, "FDA_Category_D_and_X_Structural_Similarity": 2.36694, "FDA_Category_D_and_X_Weighted_Contribution": 2.6864, "FDA_Category_D_and_X_Top_Rank": 0.0839873, "Placenta_Crossing_L1000_Similarity": 0.487866, "Placenta_Crossing_Structural_Similarity": 2.41842, "Placenta_Crossing_Weighted_Contribution": 2.57359, "Placenta_Crossing_Top_Rank": 0.0763441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C", "InChI_key": "MLESJYFEMSJZLZ-MAAOGQSESA-N" } }, "CID:16123056": { "type": "Drug", "properties": { "id": "CID:16123056", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16123056", "label": "voxtalisib", "FDA_Category_D_L1000_Similarity": -2.55365, "FDA_Category_X_L1000_Similarity": -0.363374, "FDA_Category_D_and_X_L1000_Similarity": -2.31164, "Placenta_Crossing_L1000_Similarity": -1.57732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N", "InChI_key": "RGHYDLZMTYDBDT-UHFFFAOYSA-N" } }, "CID:16667705": { "type": "Drug", "properties": { "id": "CID:16667705", "label": "exemestane", "lsm": "LSM-1773", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16667705", "FDA_Category_D_L1000_Similarity": 0.0515285, "FDA_Category_D_Structural_Similarity": -0.0919134, "FDA_Category_D_Weighted_Contribution": -0.169393, "FDA_Category_D_Top_Rank": -0.0873472, "FDA_Category_X_L1000_Similarity": 1.79803, "FDA_Category_X_Structural_Similarity": 1.50741, "FDA_Category_X_Weighted_Contribution": 2.48485, "FDA_Category_X_Top_Rank": -0.00823958, "FDA_Category_D_and_X_L1000_Similarity": 0.590443, "FDA_Category_D_and_X_Structural_Similarity": 0.740438, "FDA_Category_D_and_X_Weighted_Contribution": 0.93258, "FDA_Category_D_and_X_Top_Rank": -0.0659031, "Placenta_Crossing_L1000_Similarity": 1.19465, "Placenta_Crossing_Structural_Similarity": 0.122425, "Placenta_Crossing_Weighted_Contribution": 0.577134, "Placenta_Crossing_Top_Rank": -0.0620826, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C", "InChI_key": "BFYIZQONLCFLEV-VQIOPMHJSA-N" } }, "CID:16678941": { "type": "Drug", "properties": { "id": "CID:16678941", "label": "lumacaftor", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16678941", "FDA_Category_D_L1000_Similarity": 1.92728, "FDA_Category_D_Structural_Similarity": 0.937515, "FDA_Category_D_Weighted_Contribution": 2.04929, "FDA_Category_D_Top_Rank": 0.143322, "FDA_Category_X_L1000_Similarity": 1.48455, "FDA_Category_X_Structural_Similarity": 0.563723, "FDA_Category_X_Weighted_Contribution": 1.2803, "FDA_Category_X_Top_Rank": -0.0479687, "FDA_Category_D_and_X_L1000_Similarity": 2.11217, "FDA_Category_D_and_X_Structural_Similarity": 1.0483, "FDA_Category_D_and_X_Weighted_Contribution": 2.14616, "FDA_Category_D_and_X_Top_Rank": 0.157949, "Placenta_Crossing_L1000_Similarity": 1.86711, "Placenta_Crossing_Structural_Similarity": -0.838201, "Placenta_Crossing_Weighted_Contribution": -0.0351336, "Placenta_Crossing_Top_Rank": 0.0137811, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O", "InChI_key": "UFSKUSARDNFIRC-UHFFFAOYSA-N" } }, "CID:16722836": { "type": "Drug", "properties": { "id": "CID:16722836", "label": "fedratinib", "lsm": "LSM-1142", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16722836", "FDA_Category_D_L1000_Similarity": -2.60043, "FDA_Category_D_Structural_Similarity": 0.118415, "FDA_Category_D_Weighted_Contribution": -1.13187, "FDA_Category_D_Top_Rank": -0.0820355, "FDA_Category_X_L1000_Similarity": -0.426899, "FDA_Category_X_Structural_Similarity": 1.8283, "FDA_Category_X_Weighted_Contribution": 1.63087, "FDA_Category_X_Top_Rank": 0.0175865, "FDA_Category_D_and_X_L1000_Similarity": -2.37124, "FDA_Category_D_and_X_Structural_Similarity": 1.08053, "FDA_Category_D_and_X_Weighted_Contribution": -0.347225, "FDA_Category_D_and_X_Top_Rank": -0.0477267, "Placenta_Crossing_L1000_Similarity": -2.18474, "Placenta_Crossing_Structural_Similarity": 0.00503516, "Placenta_Crossing_Weighted_Contribution": -0.964304, "Placenta_Crossing_Top_Rank": -0.0822441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4", "InChI_key": "JOOXLOJCABQBSG-UHFFFAOYSA-N" } }, "CID:16725726": { "type": "Drug", "properties": { "id": "CID:16725726", "label": "gsk-690693", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16725726", "FDA_Category_D_L1000_Similarity": -1.67571, "FDA_Category_D_Structural_Similarity": -0.832147, "FDA_Category_D_Weighted_Contribution": -1.33029, "FDA_Category_D_Top_Rank": -0.0966526, "FDA_Category_X_L1000_Similarity": -0.578748, "FDA_Category_X_Structural_Similarity": -0.171899, "FDA_Category_X_Weighted_Contribution": -0.530822, "FDA_Category_X_Top_Rank": -0.0839436, "FDA_Category_D_and_X_L1000_Similarity": -1.62024, "FDA_Category_D_and_X_Structural_Similarity": -0.753242, "FDA_Category_D_and_X_Weighted_Contribution": -1.25022, "FDA_Category_D_and_X_Top_Rank": -0.0957155, "Placenta_Crossing_L1000_Similarity": -1.02264, "Placenta_Crossing_Structural_Similarity": -0.612431, "Placenta_Crossing_Weighted_Contribution": -0.981008, "Placenta_Crossing_Top_Rank": -0.0906585, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N", "InChI_key": "KGPGFQWBCSZGEL-ZDUSSCGKSA-N" } }, "CID:16747776": { "type": "Drug", "properties": { "id": "CID:16747776", "label": "chembl-399379", "lsm": "LSM-6245", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16747776", "FDA_Category_D_L1000_Similarity": -1.4409, "FDA_Category_D_Structural_Similarity": -0.782329, "FDA_Category_D_Weighted_Contribution": -1.24441, "FDA_Category_D_Top_Rank": -0.096398, "FDA_Category_X_L1000_Similarity": -2.62513, "FDA_Category_X_Structural_Similarity": -0.641919, "FDA_Category_X_Weighted_Contribution": -1.44277, "FDA_Category_X_Top_Rank": -0.0914797, "FDA_Category_D_and_X_L1000_Similarity": -2.03928, "FDA_Category_D_and_X_Structural_Similarity": -0.967322, "FDA_Category_D_and_X_Weighted_Contribution": -1.434, "FDA_Category_D_and_X_Top_Rank": -0.0966089, "Placenta_Crossing_L1000_Similarity": -2.19518, "Placenta_Crossing_Structural_Similarity": -0.914615, "Placenta_Crossing_Weighted_Contribution": -1.41478, "Placenta_Crossing_Top_Rank": -0.0922159, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=CC(=C3)Cl)Cl)O", "InChI_key": "SIIPNDKXZOTLEA-UHFFFAOYSA-N" } }, "CID:16758175": { "type": "Drug", "properties": { "id": "CID:16758175", "label": "acivicin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16758175", "FDA_Category_D_L1000_Similarity": -0.103186, "FDA_Category_D_Structural_Similarity": 0.444587, "FDA_Category_D_Weighted_Contribution": 0.254985, "FDA_Category_D_Top_Rank": -0.0729879, "FDA_Category_X_L1000_Similarity": -0.638566, "FDA_Category_X_Structural_Similarity": 0.578493, "FDA_Category_X_Weighted_Contribution": 0.131736, "FDA_Category_X_Top_Rank": -0.0585776, "FDA_Category_D_and_X_L1000_Similarity": -0.282864, "FDA_Category_D_and_X_Structural_Similarity": 0.665027, "FDA_Category_D_and_X_Weighted_Contribution": 0.346714, "FDA_Category_D_and_X_Top_Rank": -0.0685368, "Placenta_Crossing_L1000_Similarity": -0.0827291, "Placenta_Crossing_Structural_Similarity": -0.313851, "Placenta_Crossing_Weighted_Contribution": -0.438162, "Placenta_Crossing_Top_Rank": -0.0876879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:168613": { "type": "Drug", "properties": { "id": "CID:168613", "label": "timolol", "lsm": "LSM-2176", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/168613", "smiles": "CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1", "IDG_ID": "4061", "FDA_Category_D_L1000_Similarity": 0.210749, "FDA_Category_D_Structural_Similarity": 1.13214, "FDA_Category_D_Weighted_Contribution": 1.1796, "FDA_Category_D_Top_Rank": -0.0444162, "FDA_Category_X_L1000_Similarity": 0.978362, "FDA_Category_X_Structural_Similarity": 0.948389, "FDA_Category_X_Weighted_Contribution": 1.43018, "FDA_Category_X_Top_Rank": -0.0434422, "FDA_Category_D_and_X_L1000_Similarity": 0.478787, "FDA_Category_D_and_X_Structural_Similarity": 1.41034, "FDA_Category_D_and_X_Weighted_Contribution": 1.58078, "FDA_Category_D_and_X_Top_Rank": -0.0230732, "Placenta_Crossing_L1000_Similarity": 1.36783, "Placenta_Crossing_Structural_Similarity": 2.29188, "Placenta_Crossing_Weighted_Contribution": 2.84505, "Placenta_Crossing_Top_Rank": 0.060932, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:175540": { "type": "Drug", "properties": { "id": "CID:175540", "label": "esatenolol", "ref": "LSM-5562", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/175540", "FDA_Category_D_L1000_Similarity": 1.49112, "FDA_Category_D_Structural_Similarity": 0.00390863, "FDA_Category_D_Weighted_Contribution": 0.768139, "FDA_Category_D_Top_Rank": -0.0103632, "FDA_Category_X_L1000_Similarity": 1.54851, "FDA_Category_X_Structural_Similarity": 0.522638, "FDA_Category_X_Weighted_Contribution": 1.26993, "FDA_Category_X_Top_Rank": -0.044039, "FDA_Category_D_and_X_L1000_Similarity": 1.75562, "FDA_Category_D_and_X_Structural_Similarity": 0.285116, "FDA_Category_D_and_X_Weighted_Contribution": 1.144, "FDA_Category_D_and_X_Top_Rank": 0.0237082, "Placenta_Crossing_L1000_Similarity": 1.07389, "Placenta_Crossing_Structural_Similarity": 5.78846, "Placenta_Crossing_Weighted_Contribution": 4.23457, "Placenta_Crossing_Top_Rank": 1.76884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O", "InChI_key": "METKIMKYRPQLGS-LBPRGKRZSA-N" } }, "CID:1775": { "type": "Drug", "properties": { "id": "CID:1775", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1775", "label": "phenytoin", "ref": "LSM-5663", "FDA_Category_D_L1000_Similarity": 0.730847, "FDA_Category_D_Structural_Similarity": -0.884964, "FDA_Category_D_Weighted_Contribution": -0.504221, "FDA_Category_D_Top_Rank": -0.0786543, "FDA_Category_X_L1000_Similarity": 2.55141, "FDA_Category_X_Structural_Similarity": -0.75977, "FDA_Category_X_Weighted_Contribution": 0.399801, "FDA_Category_X_Top_Rank": 0.190293, "FDA_Category_D_and_X_L1000_Similarity": 1.40481, "FDA_Category_D_and_X_Structural_Similarity": -1.11238, "FDA_Category_D_and_X_Weighted_Contribution": -0.409559, "FDA_Category_D_and_X_Top_Rank": -0.0356506, "Placenta_Crossing_L1000_Similarity": 2.05363, "Placenta_Crossing_Structural_Similarity": -0.662466, "Placenta_Crossing_Weighted_Contribution": 0.223043, "Placenta_Crossing_Top_Rank": 0.0581703, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3", "InChI_key": "CXOFVDLJLONNDW-UHFFFAOYSA-N" } }, "CID:1797": { "type": "Drug", "properties": { "id": "CID:1797", "label": "5-nonyloxytryptamine", "lsm": "LSM-20005", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1797", "FDA_Category_D_L1000_Similarity": -3.35721, "FDA_Category_D_Structural_Similarity": -0.118055, "FDA_Category_D_Weighted_Contribution": -1.44054, "FDA_Category_D_Top_Rank": -0.0879602, "FDA_Category_X_L1000_Similarity": 0.0294428, "FDA_Category_X_Structural_Similarity": 0.844828, "FDA_Category_X_Weighted_Contribution": 0.773967, "FDA_Category_X_Top_Rank": -0.0480608, "FDA_Category_D_and_X_L1000_Similarity": -2.88503, "FDA_Category_D_and_X_Structural_Similarity": 0.362164, "FDA_Category_D_and_X_Weighted_Contribution": -1.04407, "FDA_Category_D_and_X_Top_Rank": -0.0779805, "Placenta_Crossing_L1000_Similarity": -3.81227, "Placenta_Crossing_Structural_Similarity": -0.0926602, "Placenta_Crossing_Weighted_Contribution": -1.41418, "Placenta_Crossing_Top_Rank": -0.0840503, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN", "InChI_key": "YHSMSRREJYOGQJ-UHFFFAOYSA-N" } }, "CID:180559": { "type": "Drug", "properties": { "id": "CID:180559", "label": "(r)-atenolol", "lsm": "LSM-5757", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/180559", "IDG_ID": "4702", "FDA_Category_D_L1000_Similarity": 1.49112, "FDA_Category_D_Structural_Similarity": 0.00390863, "FDA_Category_D_Weighted_Contribution": 0.768139, "FDA_Category_D_Top_Rank": -0.0103632, "FDA_Category_X_L1000_Similarity": 1.54851, "FDA_Category_X_Structural_Similarity": 0.522638, "FDA_Category_X_Weighted_Contribution": 1.26993, "FDA_Category_X_Top_Rank": -0.044039, "FDA_Category_D_and_X_L1000_Similarity": 1.75562, "FDA_Category_D_and_X_Structural_Similarity": 0.285116, "FDA_Category_D_and_X_Weighted_Contribution": 1.144, "FDA_Category_D_and_X_Top_Rank": 0.0237082, "Placenta_Crossing_L1000_Similarity": 1.07389, "Placenta_Crossing_Structural_Similarity": 5.78846, "Placenta_Crossing_Weighted_Contribution": 4.23457, "Placenta_Crossing_Top_Rank": 1.76884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O", "InChI_key": "METKIMKYRPQLGS-GFCCVEGCSA-N" } }, "CID:182593": { "type": "Drug", "properties": { "id": "CID:182593", "label": "rs-23597-190", "lsm": "LSM-6204", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/182593", "FDA_Category_D_L1000_Similarity": 1.34472, "FDA_Category_D_Structural_Similarity": -0.378619, "FDA_Category_D_Weighted_Contribution": 0.279713, "FDA_Category_D_Top_Rank": -0.0325866, "FDA_Category_X_L1000_Similarity": 3.51233, "FDA_Category_X_Structural_Similarity": -0.49608, "FDA_Category_X_Weighted_Contribution": 1.22883, "FDA_Category_X_Top_Rank": 1.83746, "FDA_Category_D_and_X_L1000_Similarity": 2.2258, "FDA_Category_D_and_X_Structural_Similarity": -0.568198, "FDA_Category_D_and_X_Weighted_Contribution": 0.521909, "FDA_Category_D_and_X_Top_Rank": 0.232737, "Placenta_Crossing_L1000_Similarity": 1.9842, "Placenta_Crossing_Structural_Similarity": -0.204833, "Placenta_Crossing_Weighted_Contribution": 0.653794, "Placenta_Crossing_Top_Rank": 0.0394544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1C(=O)OCCCN2CCCCC2)Cl)N", "InChI_key": "RLSGBCUXLRMTPF-UHFFFAOYSA-N" } }, "CID:19001": { "type": "Drug", "properties": { "id": "CID:19001", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID19001", "label": "Dithiothreitol", "FDA_Category_D_L1000_Similarity": 0.580783, "FDA_Category_D_Structural_Similarity": -0.950043, "FDA_Category_D_Weighted_Contribution": -0.622361, "FDA_Category_D_Top_Rank": -0.0831303, "FDA_Category_X_L1000_Similarity": -0.813452, "FDA_Category_X_Structural_Similarity": -0.735801, "FDA_Category_X_Weighted_Contribution": -1.02241, "FDA_Category_X_Top_Rank": -0.0909086, "FDA_Category_D_and_X_L1000_Similarity": 0.253603, "FDA_Category_D_and_X_Structural_Similarity": -1.1511, "FDA_Category_D_and_X_Weighted_Contribution": -0.898881, "FDA_Category_D_and_X_Top_Rank": -0.0895646, "Placenta_Crossing_L1000_Similarity": 0.245604, "Placenta_Crossing_Structural_Similarity": -1.1031, "Placenta_Crossing_Weighted_Contribution": -0.8871, "Placenta_Crossing_Top_Rank": -0.0862422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:196841": { "type": "Drug", "properties": { "id": "CID:196841", "label": "fr-122047", "lsm": "LSM-2672", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/196841", "FDA_Category_D_L1000_Similarity": -0.203963, "FDA_Category_D_Structural_Similarity": -0.886159, "FDA_Category_D_Weighted_Contribution": -0.897654, "FDA_Category_D_Top_Rank": -0.0937086, "FDA_Category_X_L1000_Similarity": 1.02269, "FDA_Category_X_Structural_Similarity": -0.673173, "FDA_Category_X_Weighted_Contribution": -0.271789, "FDA_Category_X_Top_Rank": -0.0708246, "FDA_Category_D_and_X_L1000_Similarity": 0.134757, "FDA_Category_D_and_X_Structural_Similarity": -1.0666, "FDA_Category_D_and_X_Weighted_Contribution": -0.887712, "FDA_Category_D_and_X_Top_Rank": -0.0909854, "Placenta_Crossing_L1000_Similarity": 0.067937, "Placenta_Crossing_Structural_Similarity": -1.04619, "Placenta_Crossing_Weighted_Contribution": -0.908063, "Placenta_Crossing_Top_Rank": -0.0878078, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC", "InChI_key": "UBHKJRYGKOSQDJ-UHFFFAOYSA-N" } }, "CID:1978": { "type": "Drug", "properties": { "id": "CID:1978", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1978", "label": "acebutolol", "FDA_Category_D_L1000_Similarity": 0.171043, "FDA_Category_D_Structural_Similarity": 0.243641, "FDA_Category_D_Weighted_Contribution": 0.214777, "FDA_Category_D_Top_Rank": -0.0786752, "FDA_Category_X_L1000_Similarity": 0.281675, "FDA_Category_X_Structural_Similarity": 0.372813, "FDA_Category_X_Weighted_Contribution": 0.396392, "FDA_Category_X_Top_Rank": -0.066959, "FDA_Category_D_and_X_L1000_Similarity": 0.232987, "FDA_Category_D_and_X_Structural_Similarity": 0.394549, "FDA_Category_D_and_X_Weighted_Contribution": 0.365405, "FDA_Category_D_and_X_Top_Rank": -0.0769912, "Placenta_Crossing_L1000_Similarity": -0.0971648, "Placenta_Crossing_Structural_Similarity": 3.47363, "Placenta_Crossing_Weighted_Contribution": 3.17232, "Placenta_Crossing_Top_Rank": 0.352905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C", "InChI_key": "GOEMGAFJFRBGGG-UHFFFAOYSA-N" } }, "CID:197835": { "type": "Drug", "properties": { "id": "CID:197835", "label": "hydrastine", "lsm": "LSM-2035", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/197835", "FDA_Category_D_L1000_Similarity": -0.0553789, "FDA_Category_D_Structural_Similarity": 0.487116, "FDA_Category_D_Weighted_Contribution": 0.325997, "FDA_Category_D_Top_Rank": -0.0714932, "FDA_Category_X_L1000_Similarity": 1.04618, "FDA_Category_X_Structural_Similarity": 0.313885, "FDA_Category_X_Weighted_Contribution": 0.749269, "FDA_Category_X_Top_Rank": -0.0692122, "FDA_Category_D_and_X_L1000_Similarity": 0.269969, "FDA_Category_D_and_X_Structural_Similarity": 0.556002, "FDA_Category_D_and_X_Weighted_Contribution": 0.550501, "FDA_Category_D_and_X_Top_Rank": -0.072173, "Placenta_Crossing_L1000_Similarity": 1.09897, "Placenta_Crossing_Structural_Similarity": -0.166572, "Placenta_Crossing_Weighted_Contribution": 0.234451, "Placenta_Crossing_Top_Rank": -0.066605, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:20854195": { "type": "Drug", "properties": { "id": "CID:20854195", "label": "kuc104235n", "lsm": "LSM-2734", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20854195", "FDA_Category_D_L1000_Similarity": 0.619087, "FDA_Category_D_Structural_Similarity": -0.179071, "FDA_Category_D_Weighted_Contribution": 0.0583934, "FDA_Category_D_Top_Rank": -0.0820664, "FDA_Category_X_L1000_Similarity": 0.0969757, "FDA_Category_X_Structural_Similarity": -0.435608, "FDA_Category_X_Weighted_Contribution": -0.468965, "FDA_Category_X_Top_Rank": -0.086879, "FDA_Category_D_and_X_L1000_Similarity": 0.56311, "FDA_Category_D_and_X_Structural_Similarity": -0.377183, "FDA_Category_D_and_X_Weighted_Contribution": -0.187657, "FDA_Category_D_and_X_Top_Rank": -0.0843704, "Placenta_Crossing_L1000_Similarity": 0.00141798, "Placenta_Crossing_Structural_Similarity": 3.4452, "Placenta_Crossing_Weighted_Contribution": 3.18706, "Placenta_Crossing_Top_Rank": 0.334856, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCNC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3", "InChI_key": "XAYUBJJWLVNUMR-UHFFFAOYSA-N" } }, "CID:208898": { "type": "Drug", "properties": { "id": "CID:208898", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID208898", "label": "dronedarone", "FDA_Category_D_L1000_Similarity": -0.208428, "FDA_Category_D_Structural_Similarity": 1.87564, "FDA_Category_D_Weighted_Contribution": 1.72115, "FDA_Category_D_Top_Rank": 0.0294865, "FDA_Category_X_L1000_Similarity": 1.26036, "FDA_Category_X_Structural_Similarity": 0.0497995, "FDA_Category_X_Weighted_Contribution": 0.5762, "FDA_Category_X_Top_Rank": -0.0611461, "FDA_Category_D_and_X_L1000_Similarity": 0.203078, "FDA_Category_D_and_X_Structural_Similarity": 1.51559, "FDA_Category_D_and_X_Weighted_Contribution": 1.52863, "FDA_Category_D_and_X_Top_Rank": -0.0134669, "Placenta_Crossing_L1000_Similarity": 0.309812, "Placenta_Crossing_Structural_Similarity": 1.74825, "Placenta_Crossing_Weighted_Contribution": 1.83391, "Placenta_Crossing_Top_Rank": 0.00442108, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC", "InChI_key": "ZQTNQVWKHCQYLQ-UHFFFAOYSA-N" } }, "CID:2107": { "type": "Drug", "properties": { "id": "CID:2107", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2107", "label": "Alpha-methylserotonin", "FDA_Category_D_L1000_Similarity": -0.441705, "FDA_Category_D_Structural_Similarity": -0.0498898, "FDA_Category_D_Weighted_Contribution": -0.383382, "FDA_Category_D_Top_Rank": -0.0863066, "FDA_Category_X_L1000_Similarity": 0.750683, "FDA_Category_X_Structural_Similarity": 1.92543, "FDA_Category_X_Weighted_Contribution": 2.37708, "FDA_Category_X_Top_Rank": 0.031375, "FDA_Category_D_and_X_L1000_Similarity": -0.152789, "FDA_Category_D_and_X_Structural_Similarity": 0.999355, "FDA_Category_D_and_X_Weighted_Contribution": 0.765521, "FDA_Category_D_and_X_Top_Rank": -0.0532008, "Placenta_Crossing_L1000_Similarity": 0.012457, "Placenta_Crossing_Structural_Similarity": -0.469897, "Placenta_Crossing_Weighted_Contribution": -0.523485, "Placenta_Crossing_Top_Rank": -0.0882651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:213023": { "type": "Drug", "properties": { "id": "CID:213023", "label": "dabigatran etexilate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/213023", "FDA_Category_D_L1000_Similarity": 0.153637, "FDA_Category_X_L1000_Similarity": 2.73648, "FDA_Category_D_and_X_L1000_Similarity": 0.96345, "Placenta_Crossing_L1000_Similarity": -0.271441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N", "InChI_key": "KSGXQBZTULBEEQ-UHFFFAOYSA-N" } }, "CID:213039": { "type": "Drug", "properties": { "id": "CID:213039", "label": "darunavir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/213039", "drugcentral_id": "4143", "FDA_Category_D_L1000_Similarity": 0.56121, "FDA_Category_D_Structural_Similarity": -0.285142, "FDA_Category_D_Weighted_Contribution": -0.0734042, "FDA_Category_D_Top_Rank": -0.0836923, "FDA_Category_X_L1000_Similarity": -0.40368, "FDA_Category_X_Structural_Similarity": 0.997547, "FDA_Category_X_Weighted_Contribution": 0.702788, "FDA_Category_X_Top_Rank": -0.0409171, "FDA_Category_D_and_X_L1000_Similarity": 0.361189, "FDA_Category_D_and_X_Structural_Similarity": 0.311951, "FDA_Category_D_and_X_Weighted_Contribution": 0.354666, "FDA_Category_D_and_X_Top_Rank": -0.0791287, "Placenta_Crossing_L1000_Similarity": -0.596469, "Placenta_Crossing_Structural_Similarity": 1.32349, "Placenta_Crossing_Weighted_Contribution": 0.886459, "Placenta_Crossing_Top_Rank": -0.0313115, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N", "InChI_key": "CJBJHOAVZSMMDJ-HEXNFIEUSA-N" } }, "CID:2130404": { "type": "Drug", "properties": { "id": "CID:2130404", "label": "agk-2", "lsm": "LSM-5463", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2130404", "FDA_Category_D_L1000_Similarity": 1.17169, "FDA_Category_D_Structural_Similarity": 0.269002, "FDA_Category_D_Weighted_Contribution": 0.852233, "FDA_Category_D_Top_Rank": -0.0514451, "FDA_Category_X_L1000_Similarity": 0.532636, "FDA_Category_X_Structural_Similarity": 0.0565446, "FDA_Category_X_Weighted_Contribution": 0.197056, "FDA_Category_X_Top_Rank": -0.0783832, "FDA_Category_D_and_X_L1000_Similarity": 1.17176, "FDA_Category_D_and_X_Structural_Similarity": 0.244022, "FDA_Category_D_and_X_Weighted_Contribution": 0.752016, "FDA_Category_D_and_X_Top_Rank": -0.0569609, "Placenta_Crossing_L1000_Similarity": 2.4415, "Placenta_Crossing_Structural_Similarity": -0.479015, "Placenta_Crossing_Weighted_Contribution": 0.609578, "Placenta_Crossing_Top_Rank": 0.242226, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N", "InChI_key": "SVENPFFEMUOOGK-SDNWHVSQSA-N" } }, "CID:2132": { "type": "Drug", "properties": { "id": "CID:2132", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2132", "label": "ambroxol", "FDA_Category_D_L1000_Similarity": 0.810171, "FDA_Category_D_Structural_Similarity": 1.00773, "FDA_Category_D_Weighted_Contribution": 1.42747, "FDA_Category_D_Top_Rank": -0.0504493, "FDA_Category_X_L1000_Similarity": 1.60088, "FDA_Category_X_Structural_Similarity": -0.0960888, "FDA_Category_X_Weighted_Contribution": 0.603012, "FDA_Category_X_Top_Rank": -0.0394387, "FDA_Category_D_and_X_L1000_Similarity": 1.18454, "FDA_Category_D_and_X_Structural_Similarity": 0.747999, "FDA_Category_D_and_X_Weighted_Contribution": 1.29691, "FDA_Category_D_and_X_Top_Rank": -0.0559016, "Placenta_Crossing_L1000_Similarity": 2.15776, "Placenta_Crossing_Structural_Similarity": 0.999375, "Placenta_Crossing_Weighted_Contribution": 2.02761, "Placenta_Crossing_Top_Rank": 0.0910017, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "Nc1c(Br)cc(Br)cc1CN[C@H]2CC[C@H](O)CC2", "InChI_key": "JBDGDEWWOUBZPM-XYPYZODXSA-N" } }, "CID:2155128": { "type": "Drug", "properties": { "id": "CID:2155128", "label": "IWP-2", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2155128", "FDA_Category_D_L1000_Similarity": 0.518053, "FDA_Category_D_Structural_Similarity": 0.644298, "FDA_Category_D_Weighted_Contribution": 0.844169, "FDA_Category_D_Top_Rank": -0.0659642, "FDA_Category_X_L1000_Similarity": 0.358275, "FDA_Category_X_Structural_Similarity": -0.377782, "FDA_Category_X_Weighted_Contribution": -0.305171, "FDA_Category_X_Top_Rank": -0.084304, "FDA_Category_D_and_X_L1000_Similarity": 0.555366, "FDA_Category_D_and_X_Structural_Similarity": 0.307538, "FDA_Category_D_and_X_Weighted_Contribution": 0.459973, "FDA_Category_D_and_X_Top_Rank": -0.079218, "Placenta_Crossing_L1000_Similarity": 1.10247, "Placenta_Crossing_Structural_Similarity": -0.444626, "Placenta_Crossing_Weighted_Contribution": -0.0298874, "Placenta_Crossing_Top_Rank": -0.0665118, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2161": { "type": "Drug", "properties": { "id": "CID:2161", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2161", "label": "amlexanox", "FDA_Category_D_L1000_Similarity": 0.409283, "FDA_Category_D_Structural_Similarity": -0.872885, "FDA_Category_D_Weighted_Contribution": -0.639762, "FDA_Category_D_Top_Rank": -0.0870375, "FDA_Category_X_L1000_Similarity": 0.0919652, "FDA_Category_X_Structural_Similarity": -0.638858, "FDA_Category_X_Weighted_Contribution": -0.636061, "FDA_Category_X_Top_Rank": -0.0869174, "FDA_Category_D_and_X_L1000_Similarity": 0.380731, "FDA_Category_D_and_X_Structural_Similarity": -1.03755, "FDA_Category_D_and_X_Weighted_Contribution": -0.779254, "FDA_Category_D_and_X_Top_Rank": -0.0877641, "Placenta_Crossing_L1000_Similarity": 0.838391, "Placenta_Crossing_Structural_Similarity": -0.485044, "Placenta_Crossing_Weighted_Contribution": -0.187765, "Placenta_Crossing_Top_Rank": -0.075304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N", "InChI_key": "SGRYPYWGNKJSDL-UHFFFAOYSA-N" } }, "CID:2162": { "type": "Drug", "properties": { "id": "CID:2162", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2162", "label": "amlodipine", "FDA_Category_D_L1000_Similarity": 0.210105, "FDA_Category_D_Structural_Similarity": 2.1588, "FDA_Category_D_Weighted_Contribution": 2.26648, "FDA_Category_D_Top_Rank": 0.0757583, "FDA_Category_X_L1000_Similarity": 3.07113, "FDA_Category_X_Structural_Similarity": 0.123667, "FDA_Category_X_Weighted_Contribution": 1.68255, "FDA_Category_X_Top_Rank": 0.624597, "FDA_Category_D_and_X_L1000_Similarity": 1.11376, "FDA_Category_D_and_X_Structural_Similarity": 1.7802, "FDA_Category_D_and_X_Weighted_Contribution": 2.31144, "FDA_Category_D_and_X_Top_Rank": 0.0143768, "Placenta_Crossing_L1000_Similarity": 0.547823, "Placenta_Crossing_Structural_Similarity": 1.2351, "Placenta_Crossing_Weighted_Contribution": 1.41732, "Placenta_Crossing_Top_Rank": -0.0376903, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN", "InChI_key": "HTIQEAQVCYTUBX-UHFFFAOYSA-N" } }, "CID:216305": { "type": "Drug", "properties": { "id": "CID:216305", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216305", "label": "alagebrium", "FDA_Category_D_L1000_Similarity": -0.106152, "FDA_Category_D_Structural_Similarity": -0.933928, "FDA_Category_D_Weighted_Contribution": -0.891549, "FDA_Category_D_Top_Rank": -0.0930643, "FDA_Category_X_L1000_Similarity": 0.44241, "FDA_Category_X_Structural_Similarity": -0.769413, "FDA_Category_X_Weighted_Contribution": -0.600718, "FDA_Category_X_Top_Rank": -0.0832392, "FDA_Category_D_and_X_L1000_Similarity": 0.042833, "FDA_Category_D_and_X_Structural_Similarity": -1.15644, "FDA_Category_D_and_X_Weighted_Contribution": -0.973713, "FDA_Category_D_and_X_Top_Rank": -0.0918154, "Placenta_Crossing_L1000_Similarity": -0.564327, "Placenta_Crossing_Structural_Similarity": -0.930005, "Placenta_Crossing_Weighted_Contribution": -1.03063, "Placenta_Crossing_Top_Rank": -0.090975, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)C", "InChI_key": "LYLFQLCLUXOFOL-UHFFFAOYSA-N" } }, "CID:216454": { "type": "Drug", "properties": { "id": "CID:216454", "label": "4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/216454", "FDA_Category_D_L1000_Similarity": -1.65388, "FDA_Category_D_Structural_Similarity": 2.63207, "FDA_Category_D_Weighted_Contribution": 1.62442, "FDA_Category_D_Top_Rank": 0.154374, "FDA_Category_X_L1000_Similarity": -1.75622, "FDA_Category_X_Structural_Similarity": 0.228401, "FDA_Category_X_Weighted_Contribution": -0.680622, "FDA_Category_X_Top_Rank": -0.0722413, "FDA_Category_D_and_X_L1000_Similarity": -1.95901, "FDA_Category_D_and_X_Structural_Similarity": 2.21236, "FDA_Category_D_and_X_Weighted_Contribution": 0.978175, "FDA_Category_D_and_X_Top_Rank": 0.0633869, "Placenta_Crossing_L1000_Similarity": -1.81592, "Placenta_Crossing_Structural_Similarity": 1.19817, "Placenta_Crossing_Weighted_Contribution": 0.123392, "Placenta_Crossing_Top_Rank": -0.0398512, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl", "InChI_key": "JNUGFGAVPBYSHF-UHFFFAOYSA-N" } }, "CID:23116322": { "type": "Drug", "properties": { "id": "CID:23116322", "label": "KW-2478", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23116322", "FDA_Category_D_L1000_Similarity": -1.35399, "FDA_Category_D_Structural_Similarity": 2.68368, "FDA_Category_D_Weighted_Contribution": 1.86689, "FDA_Category_D_Top_Rank": 0.163955, "FDA_Category_X_L1000_Similarity": -0.684795, "FDA_Category_X_Structural_Similarity": 1.08058, "FDA_Category_X_Weighted_Contribution": 0.639147, "FDA_Category_X_Top_Rank": -0.0368655, "FDA_Category_D_and_X_L1000_Similarity": -1.37512, "FDA_Category_D_and_X_Structural_Similarity": 2.71315, "FDA_Category_D_and_X_Weighted_Contribution": 1.85538, "FDA_Category_D_and_X_Top_Rank": 0.139228, "Placenta_Crossing_L1000_Similarity": -0.375398, "Placenta_Crossing_Structural_Similarity": -0.592666, "Placenta_Crossing_Weighted_Contribution": -0.757725, "Placenta_Crossing_Top_Rank": -0.0903561, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2318": { "type": "Drug", "properties": { "id": "CID:2318", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2318", "label": "benfluorex", "FDA_Category_D_L1000_Similarity": 0.294341, "FDA_Category_D_Structural_Similarity": -0.309295, "FDA_Category_D_Weighted_Contribution": -0.236275, "FDA_Category_D_Top_Rank": -0.0889389, "FDA_Category_X_L1000_Similarity": 1.53847, "FDA_Category_X_Structural_Similarity": 2.05507, "FDA_Category_X_Weighted_Contribution": 2.88254, "FDA_Category_X_Top_Rank": 0.0461661, "FDA_Category_D_and_X_L1000_Similarity": 0.720937, "FDA_Category_D_and_X_Structural_Similarity": 0.863419, "FDA_Category_D_and_X_Weighted_Contribution": 1.14218, "FDA_Category_D_and_X_Top_Rank": -0.0605424, "Placenta_Crossing_L1000_Similarity": 0.38127, "Placenta_Crossing_Structural_Similarity": 0.706765, "Placenta_Crossing_Weighted_Contribution": 0.75773, "Placenta_Crossing_Top_Rank": -0.0629585, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2", "InChI_key": "CJAVTWRYCDNHSM-UHFFFAOYSA-N" } }, "CID:23725625": { "type": "Drug", "properties": { "id": "CID:23725625", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID23725625", "label": "olaparib", "FDA_Category_D_L1000_Similarity": 1.66359, "FDA_Category_D_Structural_Similarity": 0.0842299, "FDA_Category_D_Weighted_Contribution": 0.964268, "FDA_Category_D_Top_Rank": 0.0323015, "FDA_Category_X_L1000_Similarity": 1.24917, "FDA_Category_X_Structural_Similarity": -0.116885, "FDA_Category_X_Weighted_Contribution": 0.390483, "FDA_Category_X_Top_Rank": -0.0617125, "FDA_Category_D_and_X_L1000_Similarity": 1.81339, "FDA_Category_D_and_X_Structural_Similarity": 0.00378356, "FDA_Category_D_and_X_Weighted_Contribution": 0.878245, "FDA_Category_D_and_X_Top_Rank": 0.0349818, "Placenta_Crossing_L1000_Similarity": 0.804081, "Placenta_Crossing_Structural_Similarity": 0.365162, "Placenta_Crossing_Weighted_Contribution": 0.623705, "Placenta_Crossing_Top_Rank": -0.0734076, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F", "InChI_key": "FDLYAMZZIXQODN-UHFFFAOYSA-N" } }, "CID:23760717": { "type": "Drug", "properties": { "id": "CID:23760717", "label": "ca-074-me", "lsm": "LSM-1653", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23760717", "FDA_Category_D_L1000_Similarity": -1.70187, "FDA_Category_D_Structural_Similarity": 0.573276, "FDA_Category_D_Weighted_Contribution": -0.477339, "FDA_Category_D_Top_Rank": -0.0683715, "FDA_Category_X_L1000_Similarity": 0.211264, "FDA_Category_X_Structural_Similarity": 5.63792, "FDA_Category_X_Weighted_Contribution": 4.38334, "FDA_Category_X_Top_Rank": 1.49592, "FDA_Category_D_and_X_L1000_Similarity": -1.40289, "FDA_Category_D_and_X_Structural_Similarity": 3.49722, "FDA_Category_D_and_X_Weighted_Contribution": 2.58905, "FDA_Category_D_and_X_Top_Rank": 0.383553, "Placenta_Crossing_L1000_Similarity": -1.25311, "Placenta_Crossing_Structural_Similarity": 1.44342, "Placenta_Crossing_Weighted_Contribution": 0.660041, "Placenta_Crossing_Top_Rank": -0.0243537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNC(=O)C1C(O1)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)OC", "InChI_key": "XGWSRLSPWIEMLQ-RQLZCWDZSA-N" } }, "CID:23846563": { "type": "Drug", "properties": { "id": "CID:23846563", "label": "helveticoside", "lsm": "LSM-1699", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23846563", "FDA_Category_D_L1000_Similarity": -1.5404, "FDA_Category_X_L1000_Similarity": -2.71654, "FDA_Category_D_and_X_L1000_Similarity": -2.15281, "Placenta_Crossing_L1000_Similarity": -2.24458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O", "InChI_key": "QBILRDAMJUPXCX-RIBQKGKFSA-N" } }, "CID:23846564": { "type": "Drug", "properties": { "id": "CID:23846564", "label": "butirosin", "lsm": "LSM-5166", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23846564", "FDA_Category_D_L1000_Similarity": 0.240661, "FDA_Category_D_Structural_Similarity": 2.55018, "FDA_Category_D_Weighted_Contribution": 2.651, "FDA_Category_D_Top_Rank": 0.140189, "FDA_Category_X_L1000_Similarity": -0.484175, "FDA_Category_X_Structural_Similarity": 0.00313087, "FDA_Category_X_Weighted_Contribution": -0.341326, "FDA_Category_X_Top_Rank": -0.0796778, "FDA_Category_D_and_X_L1000_Similarity": 0.060415, "FDA_Category_D_and_X_Structural_Similarity": 2.0258, "FDA_Category_D_and_X_Weighted_Contribution": 1.97474, "FDA_Category_D_and_X_Top_Rank": 0.0376881, "Placenta_Crossing_L1000_Similarity": 0.341849, "Placenta_Crossing_Structural_Similarity": 3.07534, "Placenta_Crossing_Weighted_Contribution": 3.04767, "Placenta_Crossing_Top_Rank": 0.214667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2415": { "type": "Drug", "properties": { "id": "CID:2415", "label": "bml-190", "lsm": "LSM-4119", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2415", "FDA_Category_D_L1000_Similarity": -0.394931, "FDA_Category_D_Structural_Similarity": -0.760465, "FDA_Category_D_Weighted_Contribution": -0.888741, "FDA_Category_D_Top_Rank": -0.0946894, "FDA_Category_X_L1000_Similarity": -0.310319, "FDA_Category_X_Structural_Similarity": -0.218393, "FDA_Category_X_Weighted_Contribution": -0.457656, "FDA_Category_X_Top_Rank": -0.0849155, "FDA_Category_D_and_X_L1000_Similarity": -0.434678, "FDA_Category_D_and_X_Structural_Similarity": -0.721435, "FDA_Category_D_and_X_Weighted_Contribution": -0.871343, "FDA_Category_D_and_X_Top_Rank": -0.0948193, "Placenta_Crossing_L1000_Similarity": -0.350719, "Placenta_Crossing_Structural_Similarity": 1.356, "Placenta_Crossing_Weighted_Contribution": 1.05553, "Placenta_Crossing_Top_Rank": -0.0295233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N4CCOCC4", "InChI_key": "BJSDNVVWJYDOLK-UHFFFAOYSA-N" } }, "CID:2471": { "type": "Drug", "properties": { "id": "CID:2471", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2471", "label": "bumetanide", "ref": "LSM-2848", "FDA_Category_D_L1000_Similarity": 1.33298, "FDA_Category_D_Structural_Similarity": -0.165041, "FDA_Category_D_Weighted_Contribution": 0.491275, "FDA_Category_D_Top_Rank": -0.034443, "FDA_Category_X_L1000_Similarity": 0.655348, "FDA_Category_X_Structural_Similarity": 1.87059, "FDA_Category_X_Weighted_Contribution": 2.27061, "FDA_Category_X_Top_Rank": 0.024368, "FDA_Category_D_and_X_L1000_Similarity": 1.34806, "FDA_Category_D_and_X_Structural_Similarity": 0.87837, "FDA_Category_D_and_X_Weighted_Contribution": 1.53353, "FDA_Category_D_and_X_Top_Rank": -0.0428561, "Placenta_Crossing_L1000_Similarity": 1.35506, "Placenta_Crossing_Structural_Similarity": -0.377392, "Placenta_Crossing_Weighted_Contribution": 0.155366, "Placenta_Crossing_Top_Rank": -0.0520063, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2", "InChI_key": "MAEIEVLCKWDQJH-UHFFFAOYSA-N" } }, "CID:24733": { "type": "Drug", "properties": { "id": "CID:24733", "label": "alfadolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24733", "FDA_Category_D_L1000_Similarity": 1.47372, "FDA_Category_X_L1000_Similarity": 1.28228, "FDA_Category_D_and_X_L1000_Similarity": 1.65977, "Placenta_Crossing_L1000_Similarity": 2.04381, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C", "InChI_key": "QRJOQYLXZPQQMX-FWROMSNXSA-N" } }, "CID:24737642": { "type": "Drug", "properties": { "id": "CID:24737642", "label": "lcl-161", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24737642", "FDA_Category_D_L1000_Similarity": 0.797212, "FDA_Category_D_Structural_Similarity": -0.632161, "FDA_Category_D_Weighted_Contribution": -0.261151, "FDA_Category_D_Top_Rank": -0.0760832, "FDA_Category_X_L1000_Similarity": 1.1406, "FDA_Category_X_Structural_Similarity": -0.429592, "FDA_Category_X_Weighted_Contribution": 0.0142189, "FDA_Category_X_Top_Rank": -0.066582, "FDA_Category_D_and_X_L1000_Similarity": 1.03359, "FDA_Category_D_and_X_Structural_Similarity": -0.733561, "FDA_Category_D_and_X_Weighted_Contribution": -0.267752, "FDA_Category_D_and_X_Top_Rank": -0.0670667, "Placenta_Crossing_L1000_Similarity": 0.669, "Placenta_Crossing_Structural_Similarity": -0.298174, "Placenta_Crossing_Weighted_Contribution": -0.0972827, "Placenta_Crossing_Top_Rank": -0.0795963, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC", "InChI_key": "UFPFGVNKHCLJJO-SSKFGXFMSA-N" } }, "CID:24747176": { "type": "Drug", "properties": { "id": "CID:24747176", "label": "psh-021", "lsm": "LSM-3319", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747176", "FDA_Category_D_L1000_Similarity": 0.394874, "FDA_Category_D_Structural_Similarity": -0.515074, "FDA_Category_D_Weighted_Contribution": -0.362689, "FDA_Category_D_Top_Rank": -0.0872862, "FDA_Category_X_L1000_Similarity": -0.390646, "FDA_Category_X_Structural_Similarity": -0.0796289, "FDA_Category_X_Weighted_Contribution": -0.37292, "FDA_Category_X_Top_Rank": -0.0817093, "FDA_Category_D_and_X_L1000_Similarity": 0.22175, "FDA_Category_D_and_X_Structural_Similarity": -0.451788, "FDA_Category_D_and_X_Weighted_Contribution": -0.411656, "FDA_Category_D_and_X_Top_Rank": -0.0899518, "Placenta_Crossing_L1000_Similarity": 0.143195, "Placenta_Crossing_Structural_Similarity": -0.612917, "Placenta_Crossing_Weighted_Contribution": -0.582278, "Placenta_Crossing_Top_Rank": -0.0871408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CC=C4Cl)C5=CC=CC=C5N2)C", "InChI_key": "ZEZDUMRAUZWUOA-GOSISDBHSA-N" } }, "CID:24747272": { "type": "Drug", "properties": { "id": "CID:24747272", "label": "psh-023", "lsm": "LSM-4163", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747272", "FDA_Category_D_L1000_Similarity": -0.0574144, "FDA_Category_X_L1000_Similarity": -0.342238, "FDA_Category_D_and_X_L1000_Similarity": -0.153421, "Placenta_Crossing_L1000_Similarity": 0.0786912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)CN2C(=O)C3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45", "InChI_key": "ALDXEYSYIRNXBH-LJQANCHMSA-N" } }, "CID:2482": { "type": "Drug", "properties": { "id": "CID:2482", "label": "butamben", "lsm": "LSM-5413", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2482", "FDA_Category_D_L1000_Similarity": 0.210797, "FDA_Category_D_Structural_Similarity": -0.385346, "FDA_Category_D_Weighted_Contribution": -0.344178, "FDA_Category_D_Top_Rank": -0.0901015, "FDA_Category_X_L1000_Similarity": -0.257091, "FDA_Category_X_Structural_Similarity": -0.287904, "FDA_Category_X_Weighted_Contribution": -0.493651, "FDA_Category_X_Top_Rank": -0.0862895, "FDA_Category_D_and_X_L1000_Similarity": 0.103631, "FDA_Category_D_and_X_Structural_Similarity": -0.461206, "FDA_Category_D_and_X_Weighted_Contribution": -0.471962, "FDA_Category_D_and_X_Top_Rank": -0.091277, "Placenta_Crossing_L1000_Similarity": 0.563377, "Placenta_Crossing_Structural_Similarity": 2.55314, "Placenta_Crossing_Weighted_Contribution": 2.72375, "Placenta_Crossing_Top_Rank": 0.09645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOC(=O)C1=CC=C(C=C1)N", "InChI_key": "IUWVALYLNVXWKX-UHFFFAOYSA-N" } }, "CID:24868309": { "type": "Drug", "properties": { "id": "CID:24868309", "label": "cd-1530", "lsm": "LSM-6234", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24868309", "FDA_Category_D_L1000_Similarity": -0.165032, "FDA_Category_D_Structural_Similarity": 0.265555, "FDA_Category_D_Weighted_Contribution": 0.0444885, "FDA_Category_D_Top_Rank": -0.0781431, "FDA_Category_X_L1000_Similarity": 0.580943, "FDA_Category_X_Structural_Similarity": 0.278475, "FDA_Category_X_Weighted_Contribution": 0.455635, "FDA_Category_X_Top_Rank": -0.0706054, "FDA_Category_D_and_X_L1000_Similarity": 0.0341645, "FDA_Category_D_and_X_Structural_Similarity": 0.361038, "FDA_Category_D_and_X_Weighted_Contribution": 0.222092, "FDA_Category_D_and_X_Top_Rank": -0.0780568, "Placenta_Crossing_L1000_Similarity": 0.0331592, "Placenta_Crossing_Structural_Similarity": 0.279195, "Placenta_Crossing_Weighted_Contribution": 0.141792, "Placenta_Crossing_Top_Rank": -0.0755653, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=C(C=CC5=C4)C6=CC=C(C=C6)C(=O)O)O", "InChI_key": "YSGDXEKQTNMRQN-UHFFFAOYSA-N" } }, "CID:24906282": { "type": "Drug", "properties": { "id": "CID:24906282", "label": "KIN001-043", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24906282", "FDA_Category_D_L1000_Similarity": 0.53959, "FDA_Category_D_Structural_Similarity": -0.653506, "FDA_Category_D_Weighted_Contribution": -0.407449, "FDA_Category_D_Top_Rank": -0.0842484, "FDA_Category_X_L1000_Similarity": -0.0281145, "FDA_Category_X_Structural_Similarity": 2.65984, "FDA_Category_X_Weighted_Contribution": 2.71751, "FDA_Category_X_Top_Rank": 0.136636, "FDA_Category_D_and_X_L1000_Similarity": 0.456598, "FDA_Category_D_and_X_Structural_Similarity": 0.916543, "FDA_Category_D_and_X_Weighted_Contribution": 1.04044, "FDA_Category_D_and_X_Top_Rank": -0.0571084, "Placenta_Crossing_L1000_Similarity": 0.636721, "Placenta_Crossing_Structural_Similarity": 0.260604, "Placenta_Crossing_Weighted_Contribution": 0.427771, "Placenta_Crossing_Top_Rank": -0.0762249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25019940": { "type": "Drug", "properties": { "id": "CID:25019940", "label": "mk-3207", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25019940", "FDA_Category_D_L1000_Similarity": 1.42091, "FDA_Category_D_Structural_Similarity": -0.872914, "FDA_Category_D_Weighted_Contribution": -0.150559, "FDA_Category_D_Top_Rank": -0.0222532, "FDA_Category_X_L1000_Similarity": -1.00167, "FDA_Category_X_Structural_Similarity": -0.260048, "FDA_Category_X_Weighted_Contribution": -0.763688, "FDA_Category_X_Top_Rank": -0.0857172, "FDA_Category_D_and_X_L1000_Similarity": 0.92066, "FDA_Category_D_and_X_Structural_Similarity": -0.833164, "FDA_Category_D_and_X_Weighted_Contribution": -0.403236, "FDA_Category_D_and_X_Top_Rank": -0.0731688, "Placenta_Crossing_L1000_Similarity": 0.700575, "Placenta_Crossing_Structural_Similarity": -0.215556, "Placenta_Crossing_Weighted_Contribution": -0.00648857, "Placenta_Crossing_Top_Rank": -0.0788484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(C1)C(=O)N(C(CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4", "InChI_key": "AZAANWYREOQRFB-SETSBSEESA-N" } }, "CID:25073775": { "type": "Drug", "properties": { "id": "CID:25073775", "label": "vs-4718", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25073775", "FDA_Category_D_L1000_Similarity": -2.43994, "FDA_Category_D_Structural_Similarity": 0.523407, "FDA_Category_D_Weighted_Contribution": -0.832044, "FDA_Category_D_Top_Rank": -0.0702052, "FDA_Category_X_L1000_Similarity": -2.07881, "FDA_Category_X_Structural_Similarity": 0.418376, "FDA_Category_X_Weighted_Contribution": -0.658647, "FDA_Category_X_Top_Rank": -0.0650778, "FDA_Category_D_and_X_L1000_Similarity": -2.73456, "FDA_Category_D_and_X_Structural_Similarity": 0.641189, "FDA_Category_D_and_X_Weighted_Contribution": -0.824078, "FDA_Category_D_and_X_Top_Rank": -0.0693073, "Placenta_Crossing_L1000_Similarity": -2.80148, "Placenta_Crossing_Structural_Similarity": 0.0770202, "Placenta_Crossing_Weighted_Contribution": -1.10169, "Placenta_Crossing_Top_Rank": -0.0806017, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC", "InChI_key": "IGUBBWJDMLCRIK-UHFFFAOYSA-N" } }, "CID:25124826": { "type": "Drug", "properties": { "id": "CID:25124826", "label": "psb-06126", "lsm": "LSM-3598", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25124826", "FDA_Category_D_L1000_Similarity": 1.13181, "FDA_Category_D_Structural_Similarity": 1.80978, "FDA_Category_D_Weighted_Contribution": 2.45054, "FDA_Category_D_Top_Rank": 0.0200951, "FDA_Category_X_L1000_Similarity": -1.35234, "FDA_Category_X_Structural_Similarity": 0.191694, "FDA_Category_X_Weighted_Contribution": -0.550035, "FDA_Category_X_Top_Rank": -0.0735505, "FDA_Category_D_and_X_L1000_Similarity": 0.564959, "FDA_Category_D_and_X_Structural_Similarity": 1.53989, "FDA_Category_D_and_X_Weighted_Contribution": 1.76696, "FDA_Category_D_and_X_Top_Rank": -0.0110265, "Placenta_Crossing_L1000_Similarity": 0.78269, "Placenta_Crossing_Structural_Similarity": -0.451254, "Placenta_Crossing_Weighted_Contribution": -0.182872, "Placenta_Crossing_Top_Rank": -0.0768047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=CC=C2NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O", "InChI_key": "ZHQRPIRGSWEALJ-UHFFFAOYSA-N" } }, "CID:25171648": { "type": "Drug", "properties": { "id": "CID:25171648", "label": "tepotinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25171648", "FDA_Category_D_L1000_Similarity": -2.09995, "FDA_Category_D_Structural_Similarity": -0.381822, "FDA_Category_D_Weighted_Contribution": -1.23738, "FDA_Category_D_Top_Rank": -0.0926833, "FDA_Category_X_L1000_Similarity": 2.11527, "FDA_Category_X_Structural_Similarity": -0.0423286, "FDA_Category_X_Weighted_Contribution": 0.949895, "FDA_Category_X_Top_Rank": 0.0316844, "FDA_Category_D_and_X_L1000_Similarity": -1.16782, "FDA_Category_D_and_X_Structural_Similarity": -0.325898, "FDA_Category_D_and_X_Weighted_Contribution": -0.8811, "FDA_Category_D_and_X_Top_Rank": -0.0920707, "Placenta_Crossing_L1000_Similarity": -0.658772, "Placenta_Crossing_Structural_Similarity": -0.564616, "Placenta_Crossing_Weighted_Contribution": -0.8356, "Placenta_Crossing_Top_Rank": -0.0902791, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N", "InChI_key": "AHYMHWXQRWRBKT-UHFFFAOYSA-N" } }, "CID:25226483": { "type": "Drug", "properties": { "id": "CID:25226483", "label": "hg-5-113-01", "lsm": "LSM-5982", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25226483", "FDA_Category_D_L1000_Similarity": -0.955935, "FDA_Category_D_Structural_Similarity": 2.05516, "FDA_Category_D_Weighted_Contribution": 1.4419, "FDA_Category_D_Top_Rank": 0.0577189, "FDA_Category_X_L1000_Similarity": -1.69022, "FDA_Category_X_Structural_Similarity": 0.105469, "FDA_Category_X_Weighted_Contribution": -0.748256, "FDA_Category_X_Top_Rank": -0.076981, "FDA_Category_D_and_X_L1000_Similarity": -1.33732, "FDA_Category_D_and_X_Structural_Similarity": 1.68812, "FDA_Category_D_and_X_Weighted_Contribution": 0.791616, "FDA_Category_D_and_X_Top_Rank": 0.00309064, "Placenta_Crossing_L1000_Similarity": -1.07932, "Placenta_Crossing_Structural_Similarity": 0.84602, "Placenta_Crossing_Weighted_Contribution": 0.144166, "Placenta_Crossing_Top_Rank": -0.0577051, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=NC=C(C=C4)C(=O)NC", "InChI_key": "INAFQGYNNQIERK-UHFFFAOYSA-N" } }, "CID:25227462": { "type": "Drug", "properties": { "id": "CID:25227462", "label": "pf-03758309", "lsm": "LSM-4254", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25227462", "FDA_Category_D_L1000_Similarity": -1.27647, "FDA_Category_D_Structural_Similarity": -0.833706, "FDA_Category_D_Weighted_Contribution": -1.22259, "FDA_Category_D_Top_Rank": -0.0965987, "FDA_Category_X_L1000_Similarity": -2.16995, "FDA_Category_X_Structural_Similarity": -0.720808, "FDA_Category_X_Weighted_Contribution": -1.37794, "FDA_Category_X_Top_Rank": -0.0920765, "FDA_Category_D_and_X_L1000_Similarity": -1.75931, "FDA_Category_D_and_X_Structural_Similarity": -1.05067, "FDA_Category_D_and_X_Weighted_Contribution": -1.40677, "FDA_Category_D_and_X_Top_Rank": -0.0967651, "Placenta_Crossing_L1000_Similarity": -2.70504, "Placenta_Crossing_Structural_Similarity": -1.04807, "Placenta_Crossing_Weighted_Contribution": -1.54965, "Placenta_Crossing_Top_Rank": -0.0925354, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=C(C(=N1)NC3=NNC4=C3CN(C4(C)C)C(=O)NC(CN(C)C)C5=CC=CC=C5)SC=C2", "InChI_key": "AYCPARAPKDAOEN-LJQANCHMSA-N" } }, "CID:25267262": { "type": "Drug", "properties": { "id": "CID:25267262", "label": "E-7449", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25267262", "FDA_Category_D_L1000_Similarity": 0.0448848, "FDA_Category_D_Structural_Similarity": -0.43265, "FDA_Category_D_Weighted_Contribution": -0.46369, "FDA_Category_D_Top_Rank": -0.091792, "FDA_Category_X_L1000_Similarity": -0.356924, "FDA_Category_X_Structural_Similarity": -0.152647, "FDA_Category_X_Weighted_Contribution": -0.421524, "FDA_Category_X_Top_Rank": -0.0834753, "FDA_Category_D_and_X_L1000_Similarity": -0.0696996, "FDA_Category_D_and_X_Structural_Similarity": -0.425768, "FDA_Category_D_and_X_Weighted_Contribution": -0.520039, "FDA_Category_D_and_X_Top_Rank": -0.0927678, "Placenta_Crossing_L1000_Similarity": -0.382562, "Placenta_Crossing_Structural_Similarity": 0.399294, "Placenta_Crossing_Weighted_Contribution": 0.0549225, "Placenta_Crossing_Top_Rank": -0.0725291, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2541": { "type": "Drug", "properties": { "id": "CID:2541", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2541", "label": "candesartan", "ref": "LSM-5903", "FDA_Category_D_L1000_Similarity": 1.6275, "FDA_Category_D_Structural_Similarity": 3.50091, "FDA_Category_D_Weighted_Contribution": 3.80036, "FDA_Category_D_Top_Rank": 0.356258, "FDA_Category_X_L1000_Similarity": 2.03251, "FDA_Category_X_Structural_Similarity": 2.07986, "FDA_Category_X_Weighted_Contribution": 3.1161, "FDA_Category_X_Top_Rank": 0.0505096, "FDA_Category_D_and_X_L1000_Similarity": 2.02016, "FDA_Category_D_and_X_Structural_Similarity": 3.901, "FDA_Category_D_and_X_Weighted_Contribution": 3.91261, "FDA_Category_D_and_X_Top_Rank": 0.642649, "Placenta_Crossing_L1000_Similarity": 1.64355, "Placenta_Crossing_Structural_Similarity": 1.01657, "Placenta_Crossing_Weighted_Contribution": 1.7764, "Placenta_Crossing_Top_Rank": -0.0231208, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O", "InChI_key": "HTQMVQVXFRQIKW-UHFFFAOYSA-N" } }, "CID:2585": { "type": "Drug", "properties": { "id": "CID:2585", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2585", "label": "carvedilol", "ref": "LSM-1310", "FDA_Category_D_L1000_Similarity": 0.0989831, "FDA_Category_D_Structural_Similarity": -0.720867, "FDA_Category_D_Weighted_Contribution": -0.661743, "FDA_Category_D_Top_Rank": -0.0913233, "FDA_Category_X_L1000_Similarity": -1.97004, "FDA_Category_X_Structural_Similarity": 0.0936526, "FDA_Category_X_Weighted_Contribution": -0.857141, "FDA_Category_X_Top_Rank": -0.0773481, "FDA_Category_D_and_X_L1000_Similarity": -0.512936, "FDA_Category_D_and_X_Structural_Similarity": -0.521627, "FDA_Category_D_and_X_Weighted_Contribution": -0.769166, "FDA_Category_D_and_X_Top_Rank": -0.0941904, "Placenta_Crossing_L1000_Similarity": -0.966884, "Placenta_Crossing_Structural_Similarity": -0.763387, "Placenta_Crossing_Weighted_Contribution": -1.05196, "Placenta_Crossing_Top_Rank": -0.0915769, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O", "InChI_key": "OGHNVEJMJSYVRP-UHFFFAOYSA-N" } }, "CID:26248": { "type": "Drug", "properties": { "id": "CID:26248", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26248", "label": "diacerein", "FDA_Category_D_L1000_Similarity": 0.774947, "FDA_Category_D_Structural_Similarity": 0.752978, "FDA_Category_D_Weighted_Contribution": 1.12622, "FDA_Category_D_Top_Rank": -0.0622316, "FDA_Category_X_L1000_Similarity": 1.76747, "FDA_Category_X_Structural_Similarity": 1.03532, "FDA_Category_X_Weighted_Contribution": 1.97117, "FDA_Category_X_Top_Rank": -0.0233168, "FDA_Category_D_and_X_L1000_Similarity": 1.20476, "FDA_Category_D_and_X_Structural_Similarity": 1.1563, "FDA_Category_D_and_X_Weighted_Contribution": 1.74107, "FDA_Category_D_and_X_Top_Rank": -0.0420894, "Placenta_Crossing_L1000_Similarity": 1.06766, "Placenta_Crossing_Structural_Similarity": 0.207784, "Placenta_Crossing_Weighted_Contribution": 0.598964, "Placenta_Crossing_Top_Rank": -0.0678717, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O", "InChI_key": "TYNLGDBUJLVSMA-UHFFFAOYSA-N" } }, "CID:2663": { "type": "Drug", "properties": { "id": "CID:2663", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2663", "label": "celiprolol", "FDA_Category_D_L1000_Similarity": 0.677584, "FDA_Category_D_Structural_Similarity": 0.62898, "FDA_Category_D_Weighted_Contribution": 0.928782, "FDA_Category_D_Top_Rank": -0.0665327, "FDA_Category_X_L1000_Similarity": -0.126146, "FDA_Category_X_Structural_Similarity": 1.33839, "FDA_Category_X_Weighted_Contribution": 1.24453, "FDA_Category_X_Top_Rank": -0.018501, "FDA_Category_D_and_X_L1000_Similarity": 0.545781, "FDA_Category_D_and_X_Structural_Similarity": 1.22142, "FDA_Category_D_and_X_Weighted_Contribution": 1.42015, "FDA_Category_D_and_X_Top_Rank": -0.0377207, "Placenta_Crossing_L1000_Similarity": 0.260352, "Placenta_Crossing_Structural_Similarity": 2.36032, "Placenta_Crossing_Weighted_Contribution": 2.41553, "Placenta_Crossing_Top_Rank": 0.0719498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C", "InChI_key": "JOATXPAWOHTVSZ-UHFFFAOYSA-N" } }, "CID:2680": { "type": "Drug", "properties": { "id": "CID:2680", "label": "cetraxate", "lsm": "LSM-5599", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2680", "FDA_Category_D_L1000_Similarity": 0.0578438, "FDA_Category_D_Structural_Similarity": 0.62475, "FDA_Category_D_Weighted_Contribution": 0.536258, "FDA_Category_D_Top_Rank": -0.0666258, "FDA_Category_X_L1000_Similarity": -0.745393, "FDA_Category_X_Structural_Similarity": -0.0188917, "FDA_Category_X_Weighted_Contribution": -0.47301, "FDA_Category_X_Top_Rank": -0.0802283, "FDA_Category_D_and_X_L1000_Similarity": -0.176503, "FDA_Category_D_and_X_Structural_Similarity": 0.485678, "FDA_Category_D_and_X_Weighted_Contribution": 0.228479, "FDA_Category_D_and_X_Top_Rank": -0.0743482, "Placenta_Crossing_L1000_Similarity": 0.429463, "Placenta_Crossing_Structural_Similarity": -0.0923982, "Placenta_Crossing_Weighted_Contribution": -0.0198662, "Placenta_Crossing_Top_Rank": -0.0840428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "NC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(CCC(O)=O)cc2", "InChI_key": "FHRSHSOEWXUORL-HDJSIYSDSA-N" } }, "CID:2732": { "type": "Drug", "properties": { "id": "CID:2732", "label": "chlorthalidone", "lsm": "LSM-1417", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2732", "IDG_ID": "625", "FDA_Category_D_L1000_Similarity": 0.0693583, "FDA_Category_D_Structural_Similarity": 0.390946, "FDA_Category_D_Weighted_Contribution": 0.302608, "FDA_Category_D_Top_Rank": -0.0746194, "FDA_Category_X_L1000_Similarity": -0.373608, "FDA_Category_X_Structural_Similarity": -0.48055, "FDA_Category_X_Weighted_Contribution": -0.693655, "FDA_Category_X_Top_Rank": -0.0895306, "FDA_Category_D_and_X_L1000_Similarity": -0.0536664, "FDA_Category_D_and_X_Structural_Similarity": 0.0509962, "FDA_Category_D_and_X_Weighted_Contribution": -0.114593, "FDA_Category_D_and_X_Top_Rank": -0.0853159, "Placenta_Crossing_L1000_Similarity": 1.7245, "Placenta_Crossing_Structural_Similarity": 0.440807, "Placenta_Crossing_Weighted_Contribution": 1.20421, "Placenta_Crossing_Top_Rank": -0.0121035, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O", "InChI_key": "JIVPVXMEBJLZRO-UHFFFAOYSA-N" } }, "CID:2733768": { "type": "Drug", "properties": { "id": "CID:2733768", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2733768", "label": "taurodeoxycholic-acid", "FDA_Category_D_L1000_Similarity": 1.30659, "FDA_Category_D_Structural_Similarity": -0.650883, "FDA_Category_D_Weighted_Contribution": -0.00736215, "FDA_Category_D_Top_Rank": -0.0369753, "FDA_Category_X_L1000_Similarity": 2.09342, "FDA_Category_X_Structural_Similarity": 0.358809, "FDA_Category_X_Weighted_Contribution": 1.39415, "FDA_Category_X_Top_Rank": 0.0274829, "FDA_Category_D_and_X_L1000_Similarity": 1.76204, "FDA_Category_D_and_X_Structural_Similarity": -0.323002, "FDA_Category_D_and_X_Weighted_Contribution": 0.506773, "FDA_Category_D_and_X_Top_Rank": 0.0258421, "Placenta_Crossing_L1000_Similarity": 1.84883, "Placenta_Crossing_Structural_Similarity": 1.00083, "Placenta_Crossing_Weighted_Contribution": 1.86854, "Placenta_Crossing_Top_Rank": 0.00847422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C", "InChI_key": "AWDRATDZQPNJFN-VAYUFCLWSA-N" } }, "CID:2743956": { "type": "Drug", "properties": { "id": "CID:2743956", "label": "spb02137", "lsm": "LSM-3295", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2743956", "FDA_Category_D_L1000_Similarity": 0.260556, "FDA_Category_D_Structural_Similarity": -0.438449, "FDA_Category_D_Weighted_Contribution": -0.364395, "FDA_Category_D_Top_Rank": -0.089407, "FDA_Category_X_L1000_Similarity": -0.805646, "FDA_Category_X_Structural_Similarity": -0.0232471, "FDA_Category_X_Weighted_Contribution": -0.501839, "FDA_Category_X_Top_Rank": -0.0803607, "FDA_Category_D_and_X_L1000_Similarity": -0.0200592, "FDA_Category_D_and_X_Structural_Similarity": -0.360547, "FDA_Category_D_and_X_Weighted_Contribution": -0.447172, "FDA_Category_D_and_X_Top_Rank": -0.0923626, "Placenta_Crossing_L1000_Similarity": 0.295774, "Placenta_Crossing_Structural_Similarity": -0.728922, "Placenta_Crossing_Weighted_Contribution": -0.611256, "Placenta_Crossing_Top_Rank": -0.0856953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CSC(=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl", "InChI_key": "ULSMZGGENQYXHL-UHFFFAOYSA-N" } }, "CID:2757788": { "type": "Drug", "properties": { "id": "CID:2757788", "label": "4-chlorophenylguanidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2757788", "FDA_Category_D_L1000_Similarity": -0.482149, "FDA_Category_D_Structural_Similarity": -0.836162, "FDA_Category_D_Weighted_Contribution": -0.968277, "FDA_Category_D_Top_Rank": -0.0950653, "FDA_Category_X_L1000_Similarity": -0.515445, "FDA_Category_X_Structural_Similarity": -0.447788, "FDA_Category_X_Weighted_Contribution": -0.722501, "FDA_Category_X_Top_Rank": -0.0890201, "FDA_Category_D_and_X_L1000_Similarity": -0.572153, "FDA_Category_D_and_X_Structural_Similarity": -0.905297, "FDA_Category_D_and_X_Weighted_Contribution": -1.02775, "FDA_Category_D_and_X_Top_Rank": -0.0953183, "Placenta_Crossing_L1000_Similarity": -0.100943, "Placenta_Crossing_Structural_Similarity": -0.428967, "Placenta_Crossing_Weighted_Contribution": -0.536346, "Placenta_Crossing_Top_Rank": -0.088995, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2763": { "type": "Drug", "properties": { "id": "CID:2763", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2763", "label": "ciprofibrate", "FDA_Category_D_L1000_Similarity": 0.322581, "FDA_Category_D_Structural_Similarity": -0.121775, "FDA_Category_D_Weighted_Contribution": -0.0514768, "FDA_Category_D_Top_Rank": -0.0880637, "FDA_Category_X_L1000_Similarity": 0.54193, "FDA_Category_X_Structural_Similarity": -0.687757, "FDA_Category_X_Weighted_Contribution": -0.493666, "FDA_Category_X_Top_Rank": -0.0819281, "FDA_Category_D_and_X_L1000_Similarity": 0.442643, "FDA_Category_D_and_X_Structural_Similarity": -0.467765, "FDA_Category_D_and_X_Weighted_Contribution": -0.323032, "FDA_Category_D_and_X_Top_Rank": -0.0868071, "Placenta_Crossing_L1000_Similarity": 1.07204, "Placenta_Crossing_Structural_Similarity": 0.903618, "Placenta_Crossing_Weighted_Contribution": 1.34666, "Placenta_Crossing_Top_Rank": -0.0549384, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl", "InChI_key": "KPSRODZRAIWAKH-UHFFFAOYSA-N" } }, "CID:2782": { "type": "Drug", "properties": { "id": "CID:2782", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2782", "label": "Clemizole", "FDA_Category_D_L1000_Similarity": 0.847603, "FDA_Category_D_Structural_Similarity": 1.46172, "FDA_Category_D_Weighted_Contribution": 1.93743, "FDA_Category_D_Top_Rank": -0.0212148, "FDA_Category_X_L1000_Similarity": 0.172505, "FDA_Category_X_Structural_Similarity": -0.235473, "FDA_Category_X_Weighted_Contribution": -0.260669, "FDA_Category_X_Top_Rank": -0.0852431, "FDA_Category_D_and_X_L1000_Similarity": 0.783039, "FDA_Category_D_and_X_Structural_Similarity": 1.03313, "FDA_Category_D_and_X_Weighted_Contribution": 1.36114, "FDA_Category_D_and_X_Top_Rank": -0.0511277, "Placenta_Crossing_L1000_Similarity": -0.153317, "Placenta_Crossing_Structural_Similarity": 1.45748, "Placenta_Crossing_Weighted_Contribution": 1.27345, "Placenta_Crossing_Top_Rank": -0.0224889, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2817242": { "type": "Drug", "properties": { "id": "CID:2817242", "label": "BML-266", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2817242", "FDA_Category_D_L1000_Similarity": -0.569116, "FDA_Category_D_Structural_Similarity": 0.441504, "FDA_Category_D_Weighted_Contribution": -0.0130067, "FDA_Category_D_Top_Rank": -0.0731454, "FDA_Category_X_L1000_Similarity": -1.95712, "FDA_Category_X_Structural_Similarity": 0.139835, "FDA_Category_X_Weighted_Contribution": -0.820148, "FDA_Category_X_Top_Rank": -0.0757423, "FDA_Category_D_and_X_L1000_Similarity": -1.08493, "FDA_Category_D_and_X_Structural_Similarity": 0.425882, "FDA_Category_D_and_X_Weighted_Contribution": -0.291637, "FDA_Category_D_and_X_Top_Rank": -0.0761114, "Placenta_Crossing_L1000_Similarity": -0.150318, "Placenta_Crossing_Structural_Similarity": -0.42858, "Placenta_Crossing_Weighted_Contribution": -0.555314, "Placenta_Crossing_Top_Rank": -0.0889934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2868392": { "type": "Drug", "properties": { "id": "CID:2868392", "label": "neca", "lsm": "LSM-1481", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2868392", "FDA_Category_D_L1000_Similarity": 1.2287, "FDA_Category_D_Structural_Similarity": 0.893973, "FDA_Category_D_Weighted_Contribution": 1.57026, "FDA_Category_D_Top_Rank": -0.0457653, "FDA_Category_X_L1000_Similarity": -0.365584, "FDA_Category_X_Structural_Similarity": 0.261938, "FDA_Category_X_Weighted_Contribution": -0.0464655, "FDA_Category_X_Top_Rank": -0.0712657, "FDA_Category_D_and_X_L1000_Similarity": 0.948127, "FDA_Category_D_and_X_Structural_Similarity": 0.850899, "FDA_Category_D_and_X_Weighted_Contribution": 1.2652, "FDA_Category_D_and_X_Top_Rank": -0.0612843, "Placenta_Crossing_L1000_Similarity": 1.66006, "Placenta_Crossing_Structural_Similarity": -0.335435, "Placenta_Crossing_Weighted_Contribution": 0.349829, "Placenta_Crossing_Top_Rank": -0.0204156, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O", "InChI_key": "JADDQZYHOWSFJD-UHFFFAOYSA-N" } }, "CID:2949965": { "type": "Drug", "properties": { "id": "CID:2949965", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2949965", "label": "importazole", "FDA_Category_D_L1000_Similarity": 0.472431, "FDA_Category_D_Structural_Similarity": 2.09267, "FDA_Category_D_Weighted_Contribution": 2.3519, "FDA_Category_D_Top_Rank": 0.0642843, "FDA_Category_X_L1000_Similarity": 0.898294, "FDA_Category_X_Structural_Similarity": -0.619066, "FDA_Category_X_Weighted_Contribution": -0.279151, "FDA_Category_X_Top_Rank": -0.0744302, "FDA_Category_D_and_X_L1000_Similarity": 0.680044, "FDA_Category_D_and_X_Structural_Similarity": 1.32693, "FDA_Category_D_and_X_Weighted_Contribution": 1.61178, "FDA_Category_D_and_X_Top_Rank": -0.0288592, "Placenta_Crossing_L1000_Similarity": -0.950685, "Placenta_Crossing_Structural_Similarity": 0.0999364, "Placenta_Crossing_Weighted_Contribution": -0.459464, "Placenta_Crossing_Top_Rank": -0.080039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCC4", "InChI_key": "HKGJEZIGDHFJFL-UHFFFAOYSA-N" } }, "CID:2955": { "type": "Drug", "properties": { "id": "CID:2955", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2955", "label": "dapsone", "ref": "LSM-5714", "FDA_Category_D_L1000_Similarity": 0.459878, "FDA_Category_D_Structural_Similarity": -0.682389, "FDA_Category_D_Weighted_Contribution": -0.469115, "FDA_Category_D_Top_Rank": -0.0860259, "FDA_Category_X_L1000_Similarity": 1.1096, "FDA_Category_X_Structural_Similarity": -0.730482, "FDA_Category_X_Weighted_Contribution": -0.284274, "FDA_Category_X_Top_Rank": -0.0676864, "FDA_Category_D_and_X_L1000_Similarity": 0.73339, "FDA_Category_D_and_X_Structural_Similarity": -0.935786, "FDA_Category_D_and_X_Weighted_Contribution": -0.565656, "FDA_Category_D_and_X_Top_Rank": -0.0801672, "Placenta_Crossing_L1000_Similarity": 1.25604, "Placenta_Crossing_Structural_Similarity": -0.0715285, "Placenta_Crossing_Weighted_Contribution": 0.409491, "Placenta_Crossing_Top_Rank": -0.05857, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "MQJKPEGWNLWLTK-UHFFFAOYSA-N" } }, "CID:2984": { "type": "Drug", "properties": { "id": "CID:2984", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2984", "label": "denbufylline", "FDA_Category_D_L1000_Similarity": 0.437869, "FDA_Category_D_Structural_Similarity": 0.567148, "FDA_Category_D_Weighted_Contribution": 0.710801, "FDA_Category_D_Top_Rank": -0.0686843, "FDA_Category_X_L1000_Similarity": 0.419019, "FDA_Category_X_Structural_Similarity": -0.458934, "FDA_Category_X_Weighted_Contribution": -0.350238, "FDA_Category_X_Top_Rank": -0.0835293, "FDA_Category_D_and_X_L1000_Similarity": 0.504698, "FDA_Category_D_and_X_Structural_Similarity": 0.202515, "FDA_Category_D_and_X_Weighted_Contribution": 0.325757, "FDA_Category_D_and_X_Top_Rank": -0.0816183, "Placenta_Crossing_L1000_Similarity": 1.58257, "Placenta_Crossing_Structural_Similarity": 0.486797, "Placenta_Crossing_Weighted_Contribution": 1.17608, "Placenta_Crossing_Top_Rank": -0.0306414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C", "InChI_key": "HJPRDDKCXVCFOH-UHFFFAOYSA-N" } }, "CID:2990": { "type": "Drug", "properties": { "id": "CID:2990", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2990", "label": "dephostatin", "FDA_Category_D_L1000_Similarity": -0.744782, "FDA_Category_D_Structural_Similarity": -0.874384, "FDA_Category_D_Weighted_Contribution": -1.08053, "FDA_Category_D_Top_Rank": -0.0958351, "FDA_Category_X_L1000_Similarity": 1.11232, "FDA_Category_X_Structural_Similarity": -0.363322, "FDA_Category_X_Weighted_Contribution": 0.065819, "FDA_Category_X_Top_Rank": -0.0676186, "FDA_Category_D_and_X_L1000_Similarity": -0.304224, "FDA_Category_D_and_X_Structural_Similarity": -0.890057, "FDA_Category_D_and_X_Weighted_Contribution": -0.930677, "FDA_Category_D_and_X_Top_Rank": -0.0942149, "Placenta_Crossing_L1000_Similarity": 0.320873, "Placenta_Crossing_Structural_Similarity": 1.0701, "Placenta_Crossing_Weighted_Contribution": 1.11471, "Placenta_Crossing_Top_Rank": -0.0470012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1=C(C=CC(=C1)O)O)N=O", "InChI_key": "HCJOLYFWJWJPTJ-UHFFFAOYSA-N" } }, "CID:29985980": { "type": "Drug", "properties": { "id": "CID:29985980", "label": "norgestrel", "lsm": "LSM-1612", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/29985980", "FDA_Category_D_L1000_Similarity": 0.991478, "FDA_Category_D_Structural_Similarity": -0.331283, "FDA_Category_D_Weighted_Contribution": 0.121954, "FDA_Category_D_Top_Rank": -0.0657221, "FDA_Category_X_L1000_Similarity": 1.37707, "FDA_Category_X_Structural_Similarity": 4.8965, "FDA_Category_X_Weighted_Contribution": 4.34729, "FDA_Category_X_Top_Rank": 0.964624, "FDA_Category_D_and_X_L1000_Similarity": 1.27285, "FDA_Category_D_and_X_Structural_Similarity": 2.37919, "FDA_Category_D_and_X_Weighted_Contribution": 2.90221, "FDA_Category_D_and_X_Top_Rank": 0.0845985, "Placenta_Crossing_L1000_Similarity": 1.72206, "Placenta_Crossing_Structural_Similarity": 0.735433, "Placenta_Crossing_Weighted_Contribution": 1.52047, "Placenta_Crossing_Top_Rank": -0.0123772, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:3034010": { "type": "Drug", "properties": { "id": "CID:3034010", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3034010", "label": "orlistat", "FDA_Category_D_L1000_Similarity": -1.47407, "FDA_Category_D_Structural_Similarity": -0.855841, "FDA_Category_D_Weighted_Contribution": -1.28804, "FDA_Category_D_Top_Rank": -0.096732, "FDA_Category_X_L1000_Similarity": 2.86896, "FDA_Category_X_Structural_Similarity": -0.702429, "FDA_Category_X_Weighted_Contribution": 0.63398, "FDA_Category_X_Top_Rank": 0.403815, "FDA_Category_D_and_X_L1000_Similarity": -0.399419, "FDA_Category_D_and_X_Structural_Similarity": -1.05832, "FDA_Category_D_and_X_Weighted_Contribution": -1.05911, "FDA_Category_D_and_X_Top_Rank": -0.0946694, "Placenta_Crossing_L1000_Similarity": -1.53722, "Placenta_Crossing_Structural_Similarity": -1.0414, "Placenta_Crossing_Weighted_Contribution": -1.33124, "Placenta_Crossing_Top_Rank": -0.0922276, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O", "InChI_key": "AHLBNYSZXLDEJQ-FWEHEUNISA-N" } }, "CID:3034034": { "type": "Drug", "properties": { "id": "CID:3034034", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3034034", "label": "quinine", "FDA_Category_D_L1000_Similarity": 0.921269, "FDA_Category_X_L1000_Similarity": -0.0302567, "FDA_Category_D_and_X_L1000_Similarity": 0.784967, "Placenta_Crossing_L1000_Similarity": 1.11674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O", "InChI_key": "LOUPRKONTZGTKE-WZBLMQSHSA-N" } }, "CID:3036864": { "type": "Drug", "properties": { "id": "CID:3036864", "label": "sch-23390", "lsm": "LSM-3005", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3036864", "FDA_Category_D_L1000_Similarity": 1.5152, "FDA_Category_D_Structural_Similarity": -0.181336, "FDA_Category_D_Weighted_Contribution": 0.585972, "FDA_Category_D_Top_Rank": -0.00513903, "FDA_Category_X_L1000_Similarity": 0.257058, "FDA_Category_X_Structural_Similarity": -0.507363, "FDA_Category_X_Weighted_Contribution": -0.461925, "FDA_Category_X_Top_Rank": -0.085335, "FDA_Category_D_and_X_L1000_Similarity": 1.38419, "FDA_Category_D_and_X_Structural_Similarity": -0.4177, "FDA_Category_D_and_X_Weighted_Contribution": 0.200728, "FDA_Category_D_and_X_Top_Rank": -0.0387448, "Placenta_Crossing_L1000_Similarity": 1.83505, "Placenta_Crossing_Structural_Similarity": -0.768567, "Placenta_Crossing_Weighted_Contribution": 0.0145576, "Placenta_Crossing_Top_Rank": 0.00620627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Cl", "InChI_key": "GOTMKOSCLKVOGG-OAHLLOKOSA-N" } }, "CID:3077": { "type": "Drug", "properties": { "id": "CID:3077", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3077", "label": "Dimaprit", "FDA_Category_D_L1000_Similarity": 0.428516, "FDA_Category_D_Structural_Similarity": -0.805344, "FDA_Category_D_Weighted_Contribution": -0.580221, "FDA_Category_D_Top_Rank": -0.0866967, "FDA_Category_X_L1000_Similarity": -0.294897, "FDA_Category_X_Structural_Similarity": -0.402267, "FDA_Category_X_Weighted_Contribution": -0.602154, "FDA_Category_X_Top_Rank": -0.0882442, "FDA_Category_D_and_X_L1000_Similarity": 0.279838, "FDA_Category_D_and_X_Structural_Similarity": -0.856273, "FDA_Category_D_and_X_Weighted_Contribution": -0.693277, "FDA_Category_D_and_X_Top_Rank": -0.0892372, "Placenta_Crossing_L1000_Similarity": 0.669398, "Placenta_Crossing_Structural_Similarity": -0.601529, "Placenta_Crossing_Weighted_Contribution": -0.361268, "Placenta_Crossing_Top_Rank": -0.0795833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3080926": { "type": "Drug", "properties": { "id": "CID:3080926", "label": "2-BFI", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3080926", "FDA_Category_D_L1000_Similarity": -0.163068, "FDA_Category_D_Structural_Similarity": 1.27912, "FDA_Category_D_Weighted_Contribution": 1.1009, "FDA_Category_D_Top_Rank": -0.0359694, "FDA_Category_X_L1000_Similarity": 1.83097, "FDA_Category_X_Structural_Similarity": -0.0228014, "FDA_Category_X_Weighted_Contribution": 0.811806, "FDA_Category_X_Top_Rank": -0.0147172, "FDA_Category_D_and_X_L1000_Similarity": 0.41546, "FDA_Category_D_and_X_Structural_Similarity": 1.00295, "FDA_Category_D_and_X_Weighted_Contribution": 1.10822, "FDA_Category_D_and_X_Top_Rank": -0.0529835, "Placenta_Crossing_L1000_Similarity": 0.413366, "Placenta_Crossing_Structural_Similarity": -0.25684, "Placenta_Crossing_Weighted_Contribution": -0.176621, "Placenta_Crossing_Top_Rank": -0.0842872, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3162043": { "type": "Drug", "properties": { "id": "CID:3162043", "label": "mw-stk33-1b", "lsm": "LSM-4805", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3162043", "FDA_Category_D_L1000_Similarity": -0.129146, "FDA_Category_D_Structural_Similarity": -0.734893, "FDA_Category_D_Weighted_Contribution": -0.767373, "FDA_Category_D_Top_Rank": -0.0932378, "FDA_Category_X_L1000_Similarity": 1.1802, "FDA_Category_X_Structural_Similarity": -0.234767, "FDA_Category_X_Weighted_Contribution": 0.230744, "FDA_Category_X_Top_Rank": -0.0651574, "FDA_Category_D_and_X_L1000_Similarity": 0.247076, "FDA_Category_D_and_X_Structural_Similarity": -0.709974, "FDA_Category_D_and_X_Weighted_Contribution": -0.600656, "FDA_Category_D_and_X_Top_Rank": -0.0896619, "Placenta_Crossing_L1000_Similarity": 0.148354, "Placenta_Crossing_Structural_Similarity": -0.297539, "Placenta_Crossing_Weighted_Contribution": -0.328079, "Placenta_Crossing_Top_Rank": -0.0870967, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=CS4", "InChI_key": "QSVBKTQBVIMRBD-UHFFFAOYSA-N" } }, "CID:3194": { "type": "Drug", "properties": { "id": "CID:3194", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3194", "label": "ebselen", "FDA_Category_D_L1000_Similarity": 0.936108, "FDA_Category_D_Structural_Similarity": -0.459548, "FDA_Category_D_Weighted_Contribution": -0.0314108, "FDA_Category_D_Top_Rank": -0.0693927, "FDA_Category_X_L1000_Similarity": 1.19686, "FDA_Category_X_Structural_Similarity": -0.761298, "FDA_Category_X_Weighted_Contribution": -0.272666, "FDA_Category_X_Top_Rank": -0.0643851, "FDA_Category_D_and_X_L1000_Similarity": 1.1704, "FDA_Category_D_and_X_Structural_Similarity": -0.775543, "FDA_Category_D_and_X_Weighted_Contribution": -0.237995, "FDA_Category_D_and_X_Top_Rank": -0.0572184, "Placenta_Crossing_L1000_Similarity": 1.30754, "Placenta_Crossing_Structural_Similarity": -0.776664, "Placenta_Crossing_Weighted_Contribution": -0.234795, "Placenta_Crossing_Top_Rank": -0.0549384, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2", "InChI_key": "DYEFUKCXAQOFHX-UHFFFAOYSA-N" } }, "CID:3272300": { "type": "Drug", "properties": { "id": "CID:3272300", "label": "sb-203186", "lsm": "LSM-2594", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3272300", "FDA_Category_D_L1000_Similarity": 0.820044, "FDA_Category_D_Structural_Similarity": -0.0954891, "FDA_Category_D_Weighted_Contribution": 0.255538, "FDA_Category_D_Top_Rank": -0.0749551, "FDA_Category_X_L1000_Similarity": -0.175362, "FDA_Category_X_Structural_Similarity": 0.295474, "FDA_Category_X_Weighted_Contribution": 0.0802219, "FDA_Category_X_Top_Rank": -0.069984, "FDA_Category_D_and_X_L1000_Similarity": 0.653635, "FDA_Category_D_and_X_Structural_Similarity": 0.0836454, "FDA_Category_D_and_X_Weighted_Contribution": 0.290679, "FDA_Category_D_and_X_Top_Rank": -0.0823667, "Placenta_Crossing_L1000_Similarity": 0.741377, "Placenta_Crossing_Structural_Similarity": 0.508727, "Placenta_Crossing_Weighted_Contribution": 0.74145, "Placenta_Crossing_Top_Rank": -0.0691987, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32", "InChI_key": "YGKPIROTKVQCCU-UHFFFAOYSA-N" } }, "CID:3277": { "type": "Drug", "properties": { "id": "CID:3277", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3277", "label": "etazolate", "FDA_Category_D_L1000_Similarity": 1.70095, "FDA_Category_D_Structural_Similarity": -0.660262, "FDA_Category_D_Weighted_Contribution": 0.206836, "FDA_Category_D_Top_Rank": 0.0422447, "FDA_Category_X_L1000_Similarity": 2.3654, "FDA_Category_X_Structural_Similarity": 0.118222, "FDA_Category_X_Weighted_Contribution": 1.27491, "FDA_Category_X_Top_Rank": 0.100544, "FDA_Category_D_and_X_L1000_Similarity": 2.18457, "FDA_Category_D_and_X_Structural_Similarity": -0.460266, "FDA_Category_D_and_X_Weighted_Contribution": 0.609386, "FDA_Category_D_and_X_Top_Rank": 0.205658, "Placenta_Crossing_L1000_Similarity": 2.21148, "Placenta_Crossing_Structural_Similarity": -0.839507, "Placenta_Crossing_Weighted_Contribution": 0.128642, "Placenta_Crossing_Top_Rank": 0.111549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC", "InChI_key": "OPQRBXUBWHDHPQ-UHFFFAOYSA-N" } }, "CID:3287": { "type": "Drug", "properties": { "id": "CID:3287", "label": "ethionamide", "lsm": "LSM-5620", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3287", "FDA_Category_D_L1000_Similarity": -0.235558, "FDA_Category_D_Structural_Similarity": -0.72095, "FDA_Category_D_Weighted_Contribution": -0.800661, "FDA_Category_D_Top_Rank": -0.0938802, "FDA_Category_X_L1000_Similarity": 0.86302, "FDA_Category_X_Structural_Similarity": 2.11027, "FDA_Category_X_Weighted_Contribution": 2.61819, "FDA_Category_X_Top_Rank": 0.0538367, "FDA_Category_D_and_X_L1000_Similarity": 0.0590321, "FDA_Category_D_and_X_Structural_Similarity": 0.566465, "FDA_Category_D_and_X_Weighted_Contribution": 0.440378, "FDA_Category_D_and_X_Top_Rank": -0.0720061, "Placenta_Crossing_L1000_Similarity": -0.240232, "Placenta_Crossing_Structural_Similarity": -0.936106, "Placenta_Crossing_Weighted_Contribution": -0.936751, "Placenta_Crossing_Top_Rank": -0.08978, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=NC=CC(=C1)C(=N)S", "InChI_key": "AEOCXXJPGCBFJA-UHFFFAOYSA-N" } }, "CID:3306": { "type": "Drug", "properties": { "id": "CID:3306", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3306", "label": "etilefrine", "FDA_Category_D_L1000_Similarity": 1.23066, "FDA_Category_D_Structural_Similarity": -0.674929, "FDA_Category_D_Weighted_Contribution": -0.0713398, "FDA_Category_D_Top_Rank": -0.0454773, "FDA_Category_X_L1000_Similarity": -0.600896, "FDA_Category_X_Structural_Similarity": -0.105105, "FDA_Category_X_Weighted_Contribution": -0.48467, "FDA_Category_X_Top_Rank": -0.0824423, "FDA_Category_D_and_X_L1000_Similarity": 0.878361, "FDA_Category_D_and_X_Structural_Similarity": -0.592414, "FDA_Category_D_and_X_Weighted_Contribution": -0.221215, "FDA_Category_D_and_X_Top_Rank": -0.0749656, "Placenta_Crossing_L1000_Similarity": 1.37116, "Placenta_Crossing_Structural_Similarity": 2.8304, "Placenta_Crossing_Weighted_Contribution": 3.24062, "Placenta_Crossing_Top_Rank": 0.152358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNCC(C1=CC(=CC=C1)O)O", "InChI_key": "SQVIAVUSQAWMKL-UHFFFAOYSA-N" } }, "CID:3314": { "type": "Drug", "properties": { "id": "CID:3314", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3314", "label": "eugenol", "FDA_Category_D_L1000_Similarity": 1.6118, "FDA_Category_D_Structural_Similarity": -0.589619, "FDA_Category_D_Weighted_Contribution": 0.22513, "FDA_Category_D_Top_Rank": 0.0167507, "FDA_Category_X_L1000_Similarity": 0.429784, "FDA_Category_X_Structural_Similarity": -0.694173, "FDA_Category_X_Weighted_Contribution": -0.545215, "FDA_Category_X_Top_Rank": -0.0834091, "FDA_Category_D_and_X_L1000_Similarity": 1.51991, "FDA_Category_D_and_X_Structural_Similarity": -0.842561, "FDA_Category_D_and_X_Weighted_Contribution": -0.124853, "FDA_Category_D_and_X_Top_Rank": -0.0206638, "Placenta_Crossing_L1000_Similarity": 2.61065, "Placenta_Crossing_Structural_Similarity": -0.462927, "Placenta_Crossing_Weighted_Contribution": 0.716726, "Placenta_Crossing_Top_Rank": 0.356697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)CC=C)O", "InChI_key": "RRAFCDWBNXTKKO-UHFFFAOYSA-N" } }, "CID:3351": { "type": "Drug", "properties": { "id": "CID:3351", "label": "fipexide", "lsm": "LSM-5507", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3351", "FDA_Category_D_L1000_Similarity": 0.713035, "FDA_Category_D_Structural_Similarity": -0.868854, "FDA_Category_D_Weighted_Contribution": -0.49971, "FDA_Category_D_Top_Rank": -0.0791851, "FDA_Category_X_L1000_Similarity": 0.97602, "FDA_Category_X_Structural_Similarity": -0.636847, "FDA_Category_X_Weighted_Contribution": -0.260025, "FDA_Category_X_Top_Rank": -0.0721924, "FDA_Category_D_and_X_L1000_Similarity": 0.911051, "FDA_Category_D_and_X_Structural_Similarity": -1.03326, "FDA_Category_D_and_X_Weighted_Contribution": -0.564059, "FDA_Category_D_and_X_Top_Rank": -0.0735826, "Placenta_Crossing_L1000_Similarity": 0.278281, "Placenta_Crossing_Structural_Similarity": -1.06225, "Placenta_Crossing_Weighted_Contribution": -0.850162, "Placenta_Crossing_Top_Rank": -0.0858954, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl", "InChI_key": "BFUJHVVEMMWLHC-UHFFFAOYSA-N" } }, "CID:33572": { "type": "Drug", "properties": { "id": "CID:33572", "label": "ritodrine", "lsm": "LSM-1664", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/33572", "IDG_ID": "2390", "FDA_Category_D_L1000_Similarity": 2.11852, "FDA_Category_D_Structural_Similarity": -0.842557, "FDA_Category_D_Weighted_Contribution": 0.268861, "FDA_Category_D_Top_Rank": 0.316019, "FDA_Category_X_L1000_Similarity": 2.31353, "FDA_Category_X_Structural_Similarity": -0.305262, "FDA_Category_X_Weighted_Contribution": 0.766029, "FDA_Category_X_Top_Rank": 0.0808898, "FDA_Category_D_and_X_L1000_Similarity": 2.52878, "FDA_Category_D_and_X_Structural_Similarity": -0.833467, "FDA_Category_D_and_X_Weighted_Contribution": 0.424715, "FDA_Category_D_and_X_Top_Rank": 0.534938, "Placenta_Crossing_L1000_Similarity": 2.08181, "Placenta_Crossing_Structural_Similarity": -0.461899, "Placenta_Crossing_Weighted_Contribution": 0.438592, "Placenta_Crossing_Top_Rank": 0.0682824, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O", "InChI_key": "IOVGROKTTNBUGK-SJCJKPOMSA-N" } }, "CID:33625": { "type": "Drug", "properties": { "id": "CID:33625", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID33625", "label": "indoramin", "FDA_Category_D_L1000_Similarity": 0.815865, "FDA_Category_D_Structural_Similarity": -0.326789, "FDA_Category_D_Weighted_Contribution": 0.027396, "FDA_Category_D_Top_Rank": -0.0751337, "FDA_Category_X_L1000_Similarity": 3.1047, "FDA_Category_X_Structural_Similarity": 1.08354, "FDA_Category_X_Weighted_Contribution": 2.70935, "FDA_Category_X_Top_Rank": 0.654703, "FDA_Category_D_and_X_L1000_Similarity": 1.64613, "FDA_Category_D_and_X_Structural_Similarity": 0.325297, "FDA_Category_D_and_X_Weighted_Contribution": 1.1213, "FDA_Category_D_and_X_Top_Rank": 0.000413395, "Placenta_Crossing_L1000_Similarity": 0.766605, "Placenta_Crossing_Structural_Similarity": -0.543492, "Placenta_Crossing_Weighted_Contribution": -0.270479, "Placenta_Crossing_Top_Rank": -0.0773059, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43", "InChI_key": "JXZZEXZZKAWDSP-UHFFFAOYSA-N" } }, "CID:3455": { "type": "Drug", "properties": { "id": "CID:3455", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3455", "label": "vanoxerine", "FDA_Category_D_L1000_Similarity": -1.52475, "FDA_Category_D_Structural_Similarity": 2.10019, "FDA_Category_D_Weighted_Contribution": 1.12682, "FDA_Category_D_Top_Rank": 0.067265, "FDA_Category_X_L1000_Similarity": -0.0969999, "FDA_Category_X_Structural_Similarity": -0.591935, "FDA_Category_X_Weighted_Contribution": -0.672993, "FDA_Category_X_Top_Rank": -0.0882127, "FDA_Category_D_and_X_L1000_Similarity": -1.34381, "FDA_Category_D_and_X_Structural_Similarity": 1.34754, "FDA_Category_D_and_X_Weighted_Contribution": 0.434999, "FDA_Category_D_and_X_Top_Rank": -0.0270929, "Placenta_Crossing_L1000_Similarity": -1.79964, "Placenta_Crossing_Structural_Similarity": -0.887677, "Placenta_Crossing_Weighted_Contribution": -1.32242, "Placenta_Crossing_Top_Rank": -0.0921278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F", "InChI_key": "NAUWTFJOPJWYOT-UHFFFAOYSA-N" } }, "CID:3579902": { "type": "Drug", "properties": { "id": "CID:3579902", "label": "ku-c103874", "lsm": "LSM-3746", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3579902", "FDA_Category_D_L1000_Similarity": 1.38682, "FDA_Category_D_Structural_Similarity": -0.633748, "FDA_Category_D_Weighted_Contribution": 0.0535078, "FDA_Category_D_Top_Rank": -0.0265667, "FDA_Category_X_L1000_Similarity": 2.3477, "FDA_Category_X_Structural_Similarity": -0.477024, "FDA_Category_X_Weighted_Contribution": 0.595103, "FDA_Category_X_Top_Rank": 0.0935295, "FDA_Category_D_and_X_L1000_Similarity": 1.90842, "FDA_Category_D_and_X_Structural_Similarity": -0.760414, "FDA_Category_D_and_X_Weighted_Contribution": 0.153544, "FDA_Category_D_and_X_Top_Rank": 0.0610093, "Placenta_Crossing_L1000_Similarity": 1.56635, "Placenta_Crossing_Structural_Similarity": -0.50471, "Placenta_Crossing_Weighted_Contribution": 0.135896, "Placenta_Crossing_Top_Rank": -0.0324529, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCCCN3CCOCC3)Cl", "InChI_key": "JTPHJFBQTUFCIS-UHFFFAOYSA-N" } }, "CID:3585": { "type": "Drug", "properties": { "id": "CID:3585", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3585", "label": "Hemicholinium-3", "FDA_Category_D_L1000_Similarity": 1.17657, "FDA_Category_D_Structural_Similarity": -0.843756, "FDA_Category_D_Weighted_Contribution": -0.251928, "FDA_Category_D_Top_Rank": -0.0510703, "FDA_Category_X_L1000_Similarity": -0.42905, "FDA_Category_X_Structural_Similarity": -0.72211, "FDA_Category_X_Weighted_Contribution": -0.887887, "FDA_Category_X_Top_Rank": -0.089785, "FDA_Category_D_and_X_L1000_Similarity": 0.883932, "FDA_Category_D_and_X_Structural_Similarity": -1.05935, "FDA_Category_D_and_X_Weighted_Contribution": -0.594994, "FDA_Category_D_and_X_Top_Rank": -0.0748277, "Placenta_Crossing_L1000_Similarity": 0.541041, "Placenta_Crossing_Structural_Similarity": -0.872926, "Placenta_Crossing_Weighted_Contribution": -0.625796, "Placenta_Crossing_Top_Rank": -0.0822298, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3607": { "type": "Drug", "properties": { "id": "CID:3607", "label": "hexetidine", "lsm": "LSM-4988", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3607", "FDA_Category_D_L1000_Similarity": -0.200513, "FDA_Category_D_Structural_Similarity": -0.830538, "FDA_Category_D_Weighted_Contribution": -0.860255, "FDA_Category_D_Top_Rank": -0.0936916, "FDA_Category_X_L1000_Similarity": -0.25386, "FDA_Category_X_Structural_Similarity": -0.676039, "FDA_Category_X_Weighted_Contribution": -0.794065, "FDA_Category_X_Top_Rank": -0.0890437, "FDA_Category_D_and_X_L1000_Similarity": -0.249937, "FDA_Category_D_and_X_Structural_Similarity": -1.024, "FDA_Category_D_and_X_Weighted_Contribution": -0.992254, "FDA_Category_D_and_X_Top_Rank": -0.0939348, "Placenta_Crossing_L1000_Similarity": -0.00837419, "Placenta_Crossing_Structural_Similarity": -0.94358, "Placenta_Crossing_Weighted_Contribution": -0.867481, "Placenta_Crossing_Top_Rank": -0.0884179, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N", "InChI_key": "DTOUUUZOYKYHEP-UHFFFAOYSA-N" } }, "CID:3610881": { "type": "Drug", "properties": { "id": "CID:3610881", "label": "emf-sumo1-5", "lsm": "LSM-4543", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3610881", "FDA_Category_D_L1000_Similarity": 1.85427, "FDA_Category_D_Structural_Similarity": -0.850717, "FDA_Category_D_Weighted_Contribution": 0.108171, "FDA_Category_D_Top_Rank": 0.096256, "FDA_Category_X_L1000_Similarity": -0.391776, "FDA_Category_X_Structural_Similarity": -0.64747, "FDA_Category_X_Weighted_Contribution": -0.822985, "FDA_Category_X_Top_Rank": -0.0896457, "FDA_Category_D_and_X_L1000_Similarity": 1.47944, "FDA_Category_D_and_X_Structural_Similarity": -1.0246, "FDA_Category_D_and_X_Weighted_Contribution": -0.302593, "FDA_Category_D_and_X_Top_Rank": -0.0263831, "Placenta_Crossing_L1000_Similarity": 1.52781, "Placenta_Crossing_Structural_Similarity": -0.917487, "Placenta_Crossing_Weighted_Contribution": -0.259995, "Placenta_Crossing_Top_Rank": -0.0367945, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC=C1N=CC2=C(C(=CC(=C2)Br)Br)O)C(=O)O", "InChI_key": "ARODOYFAWYMBKK-UHFFFAOYSA-N" } }, "CID:36273": { "type": "Drug", "properties": { "id": "CID:36273", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID36273", "label": "amdinocillin", "FDA_Category_D_L1000_Similarity": -0.0504066, "FDA_Category_D_Structural_Similarity": -0.600401, "FDA_Category_D_Weighted_Contribution": -0.637306, "FDA_Category_D_Top_Rank": -0.0926337, "FDA_Category_X_L1000_Similarity": 0.476413, "FDA_Category_X_Structural_Similarity": -0.59144, "FDA_Category_X_Weighted_Contribution": -0.440143, "FDA_Category_X_Top_Rank": -0.0828069, "FDA_Category_D_and_X_L1000_Similarity": 0.101221, "FDA_Category_D_and_X_Structural_Similarity": -0.795685, "FDA_Category_D_and_X_Weighted_Contribution": -0.720995, "FDA_Category_D_and_X_Top_Rank": -0.0913131, "Placenta_Crossing_L1000_Similarity": 0.402526, "Placenta_Crossing_Structural_Similarity": 2.15427, "Placenta_Crossing_Weighted_Contribution": 2.28877, "Placenta_Crossing_Top_Rank": 0.0492155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "BWWVAEOLVKTZFQ-ISVUSNJMSA-N" } }, "CID:3634881": { "type": "Drug", "properties": { "id": "CID:3634881", "label": "CCT036477", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3634881", "FDA_Category_D_L1000_Similarity": -0.705738, "FDA_Category_D_Structural_Similarity": -0.453764, "FDA_Category_D_Weighted_Contribution": -0.806202, "FDA_Category_D_Top_Rank": -0.0935817, "FDA_Category_X_L1000_Similarity": -0.800418, "FDA_Category_X_Structural_Similarity": -0.310953, "FDA_Category_X_Weighted_Contribution": -0.726818, "FDA_Category_X_Top_Rank": -0.0867064, "FDA_Category_D_and_X_L1000_Similarity": -0.851426, "FDA_Category_D_and_X_Structural_Similarity": -0.527948, "FDA_Category_D_and_X_Weighted_Contribution": -0.896573, "FDA_Category_D_and_X_Top_Rank": -0.094219, "Placenta_Crossing_L1000_Similarity": -1.71442, "Placenta_Crossing_Structural_Similarity": -0.522106, "Placenta_Crossing_Weighted_Contribution": -1.1271, "Placenta_Crossing_Top_Rank": -0.0898799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3646984": { "type": "Drug", "properties": { "id": "CID:3646984", "label": "f-1061-0166", "lsm": "LSM-4474", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3646984", "FDA_Category_D_L1000_Similarity": -1.67771, "FDA_Category_D_Structural_Similarity": -0.364132, "FDA_Category_D_Weighted_Contribution": -1.10052, "FDA_Category_D_Top_Rank": -0.0924022, "FDA_Category_X_L1000_Similarity": 1.3721, "FDA_Category_X_Structural_Similarity": -0.310257, "FDA_Category_X_Weighted_Contribution": 0.251995, "FDA_Category_X_Top_Rank": -0.0548834, "FDA_Category_D_and_X_L1000_Similarity": -1.02953, "FDA_Category_D_and_X_Structural_Similarity": -0.45643, "FDA_Category_D_and_X_Weighted_Contribution": -0.914122, "FDA_Category_D_and_X_Top_Rank": -0.0935556, "Placenta_Crossing_L1000_Similarity": -1.22004, "Placenta_Crossing_Structural_Similarity": -0.559623, "Placenta_Crossing_Weighted_Contribution": -1.00885, "Placenta_Crossing_Top_Rank": -0.0902285, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NC=C1)NC(C2=CC=C(C=C2)Cl)C3=C(NC4=CC=CC=C43)C", "InChI_key": "NFJXZWXCLRCTGM-UHFFFAOYSA-N" } }, "CID:3671": { "type": "Drug", "properties": { "id": "CID:3671", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3671", "label": "ibudilast", "FDA_Category_D_L1000_Similarity": 0.996814, "FDA_Category_D_Structural_Similarity": 1.6554, "FDA_Category_D_Weighted_Contribution": 2.22419, "FDA_Category_D_Top_Rank": 0.00108554, "FDA_Category_X_L1000_Similarity": -0.376018, "FDA_Category_X_Structural_Similarity": -0.222218, "FDA_Category_X_Weighted_Contribution": -0.4885, "FDA_Category_X_Top_Rank": -0.0849656, "FDA_Category_D_and_X_L1000_Similarity": 0.745085, "FDA_Category_D_and_X_Structural_Similarity": 1.194, "FDA_Category_D_and_X_Weighted_Contribution": 1.50981, "FDA_Category_D_and_X_Top_Rank": -0.039946, "Placenta_Crossing_L1000_Similarity": 0.890942, "Placenta_Crossing_Structural_Similarity": -0.0394163, "Placenta_Crossing_Weighted_Contribution": 0.255807, "Placenta_Crossing_Top_Rank": -0.0738911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C", "InChI_key": "ZJVFLBOZORBYFE-UHFFFAOYSA-N" } }, "CID:3675": { "type": "Drug", "properties": { "id": "CID:3675", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3675", "label": "phenelzine", "FDA_Category_D_L1000_Similarity": 1.79305, "FDA_Category_D_Structural_Similarity": 0.119137, "FDA_Category_D_Weighted_Contribution": 1.08504, "FDA_Category_D_Top_Rank": 0.0703537, "FDA_Category_X_L1000_Similarity": -0.6254, "FDA_Category_X_Structural_Similarity": 1.92531, "FDA_Category_X_Weighted_Contribution": 1.62824, "FDA_Category_X_Top_Rank": 0.031067, "FDA_Category_D_and_X_L1000_Similarity": 1.35572, "FDA_Category_D_and_X_Structural_Similarity": 1.13345, "FDA_Category_D_and_X_Weighted_Contribution": 1.80508, "FDA_Category_D_and_X_Top_Rank": -0.0419597, "Placenta_Crossing_L1000_Similarity": 1.67708, "Placenta_Crossing_Structural_Similarity": 1.126, "Placenta_Crossing_Weighted_Contribution": 1.90785, "Placenta_Crossing_Top_Rank": -0.0185797, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCNN", "InChI_key": "RMUCZJUITONUFY-UHFFFAOYSA-N" } }, "CID:3676": { "type": "Drug", "properties": { "id": "CID:3676", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3676", "label": "lidocaine", "FDA_Category_D_L1000_Similarity": 0.91136, "FDA_Category_X_L1000_Similarity": 2.71391, "FDA_Category_D_and_X_L1000_Similarity": 1.60977, "Placenta_Crossing_L1000_Similarity": 1.12915, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC(=O)NC1=C(C=CC=C1C)C", "InChI_key": "NNJVILVZKWQKPM-UHFFFAOYSA-N" } }, "CID:3735": { "type": "Drug", "properties": { "id": "CID:3735", "label": "iopanoic acid", "lsm": "LSM-1545", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3735", "FDA_Category_D_L1000_Similarity": 0.566427, "FDA_Category_D_Structural_Similarity": 0.952092, "FDA_Category_D_Weighted_Contribution": 1.21051, "FDA_Category_D_Top_Rank": -0.0528041, "FDA_Category_X_L1000_Similarity": 0.363068, "FDA_Category_X_Structural_Similarity": -0.706193, "FDA_Category_X_Weighted_Contribution": -0.581935, "FDA_Category_X_Top_Rank": -0.0842313, "FDA_Category_D_and_X_L1000_Similarity": 0.598526, "FDA_Category_D_and_X_Structural_Similarity": 0.374629, "FDA_Category_D_and_X_Weighted_Contribution": 0.553391, "FDA_Category_D_and_X_Top_Rank": -0.0775578, "Placenta_Crossing_L1000_Similarity": 0.664448, "Placenta_Crossing_Structural_Similarity": -0.151466, "Placenta_Crossing_Weighted_Contribution": 0.0364038, "Placenta_Crossing_Top_Rank": -0.0797377, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O", "InChI_key": "OIRFJRBSRORBCM-UHFFFAOYSA-N" } }, "CID:37393": { "type": "Drug", "properties": { "id": "CID:37393", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID37393", "label": "halofantrine", "FDA_Category_D_L1000_Similarity": 0.939015, "FDA_Category_D_Structural_Similarity": -0.718223, "FDA_Category_D_Weighted_Contribution": -0.263788, "FDA_Category_D_Top_Rank": -0.0692333, "FDA_Category_X_L1000_Similarity": -0.103254, "FDA_Category_X_Structural_Similarity": 0.775389, "FDA_Category_X_Weighted_Contribution": 0.623548, "FDA_Category_X_Top_Rank": -0.0507146, "FDA_Category_D_and_X_L1000_Similarity": 0.778092, "FDA_Category_D_and_X_Structural_Similarity": -0.151667, "FDA_Category_D_and_X_Weighted_Contribution": 0.129702, "FDA_Category_D_and_X_Top_Rank": -0.0785576, "Placenta_Crossing_L1000_Similarity": 0.945014, "Placenta_Crossing_Structural_Similarity": -0.344169, "Placenta_Crossing_Weighted_Contribution": -0.0107803, "Placenta_Crossing_Top_Rank": -0.0723559, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O", "InChI_key": "FOHHNHSLJDZUGQ-UHFFFAOYSA-N" } }, "CID:3749": { "type": "Drug", "properties": { "id": "CID:3749", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3749", "label": "irbesartan", "FDA_Category_D_L1000_Similarity": 1.43227, "FDA_Category_D_Structural_Similarity": 1.52091, "FDA_Category_D_Weighted_Contribution": 2.34251, "FDA_Category_D_Top_Rank": -0.0153279, "FDA_Category_X_L1000_Similarity": 0.748332, "FDA_Category_X_Structural_Similarity": -0.66466, "FDA_Category_X_Weighted_Contribution": -0.386062, "FDA_Category_X_Top_Rank": -0.0780889, "FDA_Category_D_and_X_L1000_Similarity": 1.46189, "FDA_Category_D_and_X_Structural_Similarity": 0.848515, "FDA_Category_D_and_X_Weighted_Contribution": 1.56944, "FDA_Category_D_and_X_Top_Rank": -0.0283768, "Placenta_Crossing_L1000_Similarity": 1.65058, "Placenta_Crossing_Structural_Similarity": 0.030497, "Placenta_Crossing_Weighted_Contribution": 0.723468, "Placenta_Crossing_Top_Rank": -0.0223825, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5", "InChI_key": "YOSHYTLCDANDAN-UHFFFAOYSA-N" } }, "CID:3785": { "type": "Drug", "properties": { "id": "CID:3785", "label": "itdac-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3785", "FDA_Category_D_L1000_Similarity": -0.403598, "FDA_Category_D_Structural_Similarity": 1.4685, "FDA_Category_D_Weighted_Contribution": 1.154, "FDA_Category_D_Top_Rank": -0.0204482, "FDA_Category_X_L1000_Similarity": -0.125393, "FDA_Category_X_Structural_Similarity": -0.532251, "FDA_Category_X_Weighted_Contribution": -0.637751, "FDA_Category_X_Top_Rank": -0.088368, "FDA_Category_D_and_X_L1000_Similarity": -0.385986, "FDA_Category_D_and_X_Structural_Similarity": 0.878369, "FDA_Category_D_and_X_Weighted_Contribution": 0.503971, "FDA_Category_D_and_X_Top_Rank": -0.0594618, "Placenta_Crossing_L1000_Similarity": -0.539116, "Placenta_Crossing_Structural_Similarity": -0.675521, "Placenta_Crossing_Weighted_Contribution": -0.868248, "Placenta_Crossing_Top_Rank": -0.0909024, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:378811": { "type": "Drug", "properties": { "id": "CID:378811", "label": "MR-16728", "lsm": "LSM-1443", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/378811", "FDA_Category_D_L1000_Similarity": 0.104564, "FDA_Category_D_Structural_Similarity": -0.66511, "FDA_Category_D_Weighted_Contribution": -0.6178, "FDA_Category_D_Top_Rank": -0.0912574, "FDA_Category_X_L1000_Similarity": 1.29203, "FDA_Category_X_Structural_Similarity": -0.710749, "FDA_Category_X_Weighted_Contribution": -0.182525, "FDA_Category_X_Top_Rank": -0.0597441, "FDA_Category_D_and_X_L1000_Similarity": 0.482501, "FDA_Category_D_and_X_Structural_Similarity": -0.911424, "FDA_Category_D_and_X_Weighted_Contribution": -0.651513, "FDA_Category_D_and_X_Top_Rank": -0.0859543, "Placenta_Crossing_L1000_Similarity": 0.357516, "Placenta_Crossing_Structural_Similarity": -0.715976, "Placenta_Crossing_Weighted_Contribution": -0.577989, "Placenta_Crossing_Top_Rank": -0.0849727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:38081": { "type": "Drug", "properties": { "id": "CID:38081", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID38081", "label": "flunixin", "FDA_Category_D_L1000_Similarity": 0.782176, "FDA_Category_D_Structural_Similarity": -0.485421, "FDA_Category_D_Weighted_Contribution": -0.138365, "FDA_Category_D_Top_Rank": -0.0767056, "FDA_Category_X_L1000_Similarity": -2.91267, "FDA_Category_X_Structural_Similarity": -0.469807, "FDA_Category_X_Weighted_Contribution": -1.43086, "FDA_Category_X_Top_Rank": -0.089362, "FDA_Category_D_and_X_L1000_Similarity": -0.210276, "FDA_Category_D_and_X_Structural_Similarity": -0.638791, "FDA_Category_D_and_X_Weighted_Contribution": -0.733279, "FDA_Category_D_and_X_Top_Rank": -0.0937007, "Placenta_Crossing_L1000_Similarity": -0.000898387, "Placenta_Crossing_Structural_Similarity": -0.121573, "Placenta_Crossing_Weighted_Contribution": -0.242349, "Placenta_Crossing_Top_Rank": -0.084642, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F", "InChI_key": "NOOCSNJCXJYGPE-UHFFFAOYSA-N" } }, "CID:38409": { "type": "Drug", "properties": { "id": "CID:38409", "label": "tienilic acid", "lsm": "LSM-5478", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/38409", "FDA_Category_D_L1000_Similarity": 0.0103294, "FDA_Category_D_Structural_Similarity": -0.724486, "FDA_Category_D_Weighted_Contribution": -0.702197, "FDA_Category_D_Top_Rank": -0.0920992, "FDA_Category_X_L1000_Similarity": -1.38318, "FDA_Category_X_Structural_Similarity": -0.630349, "FDA_Category_X_Weighted_Contribution": -1.13001, "FDA_Category_X_Top_Rank": -0.0913781, "FDA_Category_D_and_X_L1000_Similarity": -0.411146, "FDA_Category_D_and_X_Structural_Similarity": -0.915168, "FDA_Category_D_and_X_Weighted_Contribution": -0.981479, "FDA_Category_D_and_X_Top_Rank": -0.0947216, "Placenta_Crossing_L1000_Similarity": 0.0204971, "Placenta_Crossing_Structural_Similarity": -0.909913, "Placenta_Crossing_Weighted_Contribution": -0.83606, "Placenta_Crossing_Top_Rank": -0.0882049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl", "InChI_key": "AGHANLSBXUWXTB-UHFFFAOYSA-N" } }, "CID:392622": { "type": "Drug", "properties": { "id": "CID:392622", "label": "ritonavir", "lsm": "LSM-5623", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/392622", "drugcentral_id": "2391", "IDG_ID": "2391", "FDA_Category_D_L1000_Similarity": 0.474048, "FDA_Category_D_Structural_Similarity": 0.869539, "FDA_Category_D_Weighted_Contribution": 1.06102, "FDA_Category_D_Top_Rank": -0.0576655, "FDA_Category_X_L1000_Similarity": 0.49955, "FDA_Category_X_Structural_Similarity": 1.5044, "FDA_Category_X_Weighted_Contribution": 1.78795, "FDA_Category_X_Top_Rank": -0.00868302, "FDA_Category_D_and_X_L1000_Similarity": 0.560336, "FDA_Category_D_and_X_Structural_Similarity": 1.50193, "FDA_Category_D_and_X_Weighted_Contribution": 1.72482, "FDA_Category_D_and_X_Top_Rank": -0.0144345, "Placenta_Crossing_L1000_Similarity": -0.391779, "Placenta_Crossing_Structural_Similarity": 0.600352, "Placenta_Crossing_Weighted_Contribution": 0.244965, "Placenta_Crossing_Top_Rank": -0.0666236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O", "InChI_key": "NCDNCNXCDXHOMX-XGKFQTDJSA-N" } }, "CID:3946": { "type": "Drug", "properties": { "id": "CID:3946", "label": "lobenzarit", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3946", "FDA_Category_D_L1000_Similarity": 0.579511, "FDA_Category_D_Structural_Similarity": -0.481083, "FDA_Category_D_Weighted_Contribution": -0.240493, "FDA_Category_D_Top_Rank": -0.0831928, "FDA_Category_X_L1000_Similarity": 1.79554, "FDA_Category_X_Structural_Similarity": 0.0866225, "FDA_Category_X_Weighted_Contribution": 0.914843, "FDA_Category_X_Top_Rank": -0.0195359, "FDA_Category_D_and_X_L1000_Similarity": 1.04482, "FDA_Category_D_and_X_Structural_Similarity": -0.335101, "FDA_Category_D_and_X_Weighted_Contribution": 0.0974087, "FDA_Category_D_and_X_Top_Rank": -0.0662364, "Placenta_Crossing_L1000_Similarity": 1.87845, "Placenta_Crossing_Structural_Similarity": 1.42987, "Placenta_Crossing_Weighted_Contribution": 2.31212, "Placenta_Crossing_Top_Rank": 0.017622, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3973": { "type": "Drug", "properties": { "id": "CID:3973", "label": "ly-294002", "lsm": "LSM-2597", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3973", "ref": "LSM-2597", "FDA_Category_D_L1000_Similarity": -2.6083, "FDA_Category_D_Structural_Similarity": -0.356178, "FDA_Category_D_Weighted_Contribution": -1.36039, "FDA_Category_D_Top_Rank": -0.0922949, "FDA_Category_X_L1000_Similarity": -0.891882, "FDA_Category_X_Structural_Similarity": -0.612948, "FDA_Category_X_Weighted_Contribution": -0.969276, "FDA_Category_X_Top_Rank": -0.0910753, "FDA_Category_D_and_X_L1000_Similarity": -2.51925, "FDA_Category_D_and_X_Structural_Similarity": -0.613448, "FDA_Category_D_and_X_Weighted_Contribution": -1.40252, "FDA_Category_D_and_X_Top_Rank": -0.0948766, "Placenta_Crossing_L1000_Similarity": -1.49182, "Placenta_Crossing_Structural_Similarity": -1.06585, "Placenta_Crossing_Weighted_Contribution": -1.33184, "Placenta_Crossing_Top_Rank": -0.0921986, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4", "InChI_key": "CZQHHVNHHHRRDU-UHFFFAOYSA-N" } }, "CID:3994": { "type": "Drug", "properties": { "id": "CID:3994", "label": "4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3994", "FDA_Category_D_L1000_Similarity": -0.465641, "FDA_Category_D_Structural_Similarity": 0.984114, "FDA_Category_D_Weighted_Contribution": 0.591767, "FDA_Category_D_Top_Rank": -0.0511645, "FDA_Category_X_L1000_Similarity": -0.320907, "FDA_Category_X_Structural_Similarity": 0.336981, "FDA_Category_X_Weighted_Contribution": 0.0490251, "FDA_Category_X_Top_Rank": -0.0681855, "FDA_Category_D_and_X_L1000_Similarity": -0.498846, "FDA_Category_D_and_X_Structural_Similarity": 0.962938, "FDA_Category_D_and_X_Weighted_Contribution": 0.525798, "FDA_Category_D_and_X_Top_Rank": -0.0553138, "Placenta_Crossing_L1000_Similarity": -0.842576, "Placenta_Crossing_Structural_Similarity": 0.474399, "Placenta_Crossing_Weighted_Contribution": -0.0920627, "Placenta_Crossing_Top_Rank": -0.0702411, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO", "InChI_key": "MXWDSZWTBOCWBK-UHFFFAOYSA-N" } }, "CID:4031": { "type": "Drug", "properties": { "id": "CID:4031", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4031", "label": "mebeverine", "FDA_Category_D_L1000_Similarity": -0.628769, "FDA_Category_D_Structural_Similarity": -0.683341, "FDA_Category_D_Weighted_Contribution": -0.92681, "FDA_Category_D_Top_Rank": -0.0955449, "FDA_Category_X_L1000_Similarity": 2.50668, "FDA_Category_X_Structural_Similarity": -0.19631, "FDA_Category_X_Weighted_Contribution": 0.997293, "FDA_Category_X_Top_Rank": 0.156461, "FDA_Category_D_and_X_L1000_Similarity": 0.219214, "FDA_Category_D_and_X_Structural_Similarity": -0.648305, "FDA_Category_D_and_X_Weighted_Contribution": -0.566221, "FDA_Category_D_and_X_Top_Rank": -0.0899816, "Placenta_Crossing_L1000_Similarity": -0.490316, "Placenta_Crossing_Structural_Similarity": 0.364859, "Placenta_Crossing_Weighted_Contribution": -0.0285429, "Placenta_Crossing_Top_Rank": -0.0734305, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC", "InChI_key": "VYVKHNNGDFVQGA-UHFFFAOYSA-N" } }, "CID:40532410": { "type": "Drug", "properties": { "id": "CID:40532410", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID40532410", "label": "Chlormadinone", "FDA_Category_D_L1000_Similarity": -1.07627, "FDA_Category_D_Structural_Similarity": 0.235906, "FDA_Category_D_Weighted_Contribution": -0.45396, "FDA_Category_D_Top_Rank": -0.0789124, "FDA_Category_X_L1000_Similarity": -0.768753, "FDA_Category_X_Structural_Similarity": 2.08323, "FDA_Category_X_Weighted_Contribution": 1.72538, "FDA_Category_X_Top_Rank": 0.0513277, "FDA_Category_D_and_X_L1000_Similarity": -1.16122, "FDA_Category_D_and_X_Structural_Similarity": 1.31135, "FDA_Category_D_and_X_Weighted_Contribution": 0.502341, "FDA_Category_D_and_X_Top_Rank": -0.0304535, "Placenta_Crossing_L1000_Similarity": -0.850289, "Placenta_Crossing_Structural_Similarity": 2.12354, "Placenta_Crossing_Weighted_Contribution": 1.60926, "Placenta_Crossing_Top_Rank": 0.044544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:40839": { "type": "Drug", "properties": { "id": "CID:40839", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID40839", "label": "vindesine", "FDA_Category_D_L1000_Similarity": -0.22815, "FDA_Category_D_Structural_Similarity": 2.0598, "FDA_Category_D_Weighted_Contribution": 1.9041, "FDA_Category_D_Top_Rank": 0.0595416, "FDA_Category_X_L1000_Similarity": -0.620861, "FDA_Category_X_Structural_Similarity": -0.158994, "FDA_Category_X_Weighted_Contribution": -0.537514, "FDA_Category_X_Top_Rank": -0.0836019, "FDA_Category_D_and_X_L1000_Similarity": -0.385211, "FDA_Category_D_and_X_Structural_Similarity": 1.5491, "FDA_Category_D_and_X_Weighted_Contribution": 1.21247, "FDA_Category_D_and_X_Top_Rank": -0.0101331, "Placenta_Crossing_L1000_Similarity": -0.742357, "Placenta_Crossing_Structural_Similarity": -0.599277, "Placenta_Crossing_Weighted_Contribution": -0.885434, "Placenta_Crossing_Top_Rank": -0.0905573, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O", "InChI_key": "HHJUWIANJFBDHT-KOTLKJBCSA-N" } }, "CID:4099": { "type": "Drug", "properties": { "id": "CID:4099", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4099", "label": "metharbital", "FDA_Category_D_L1000_Similarity": 0.79637, "FDA_Category_D_Structural_Similarity": 0.317002, "FDA_Category_D_Weighted_Contribution": 0.66793, "FDA_Category_D_Top_Rank": -0.0761214, "FDA_Category_X_L1000_Similarity": -0.0371643, "FDA_Category_X_Structural_Similarity": 1.60246, "FDA_Category_X_Weighted_Contribution": 1.59599, "FDA_Category_X_Top_Rank": -0.00153441, "FDA_Category_D_and_X_L1000_Similarity": 0.6752, "FDA_Category_D_and_X_Structural_Similarity": 1.11629, "FDA_Category_D_and_X_Weighted_Contribution": 1.38539, "FDA_Category_D_and_X_Top_Rank": -0.0448685, "Placenta_Crossing_L1000_Similarity": 0.458506, "Placenta_Crossing_Structural_Similarity": 0.221992, "Placenta_Crossing_Weighted_Contribution": 0.297575, "Placenta_Crossing_Top_Rank": -0.0772076, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(C(=O)NC(=O)N(C1=O)C)CC", "InChI_key": "FWJKNZONDWOGMI-UHFFFAOYSA-N" } }, "CID:4135": { "type": "Drug", "properties": { "id": "CID:4135", "label": "methyl-benzethonium", "lsm": "LSM-5574", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4135", "FDA_Category_D_L1000_Similarity": -3.71601, "FDA_Category_D_Structural_Similarity": -0.665404, "FDA_Category_D_Weighted_Contribution": -1.67494, "FDA_Category_D_Top_Rank": -0.0955878, "FDA_Category_X_L1000_Similarity": -2.26387, "FDA_Category_X_Structural_Similarity": 0.308475, "FDA_Category_X_Weighted_Contribution": -0.809358, "FDA_Category_X_Top_Rank": -0.0694692, "FDA_Category_D_and_X_L1000_Similarity": -3.89076, "FDA_Category_D_and_X_Structural_Similarity": -0.361688, "FDA_Category_D_and_X_Weighted_Contribution": -1.57353, "FDA_Category_D_and_X_Top_Rank": -0.092496, "Placenta_Crossing_L1000_Similarity": -4.32431, "Placenta_Crossing_Structural_Similarity": 0.0664638, "Placenta_Crossing_Weighted_Contribution": -1.45162, "Placenta_Crossing_Top_Rank": -0.0807911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:414684": { "type": "Drug", "properties": { "id": "CID:414684", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID414684", "label": "Ephedrine", "FDA_Category_D_L1000_Similarity": 0.152992, "FDA_Category_X_L1000_Similarity": 0.080864, "FDA_Category_D_and_X_L1000_Similarity": 0.156448, "Placenta_Crossing_L1000_Similarity": 1.23495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:41693": { "type": "Drug", "properties": { "id": "CID:41693", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID41693", "label": "sufentanil", "FDA_Category_D_L1000_Similarity": -0.604349, "FDA_Category_D_Structural_Similarity": 7.17897, "FDA_Category_D_Weighted_Contribution": 4.35788, "FDA_Category_D_Top_Rank": 3.08707, "FDA_Category_X_L1000_Similarity": 1.84515, "FDA_Category_X_Structural_Similarity": -0.37954, "FDA_Category_X_Weighted_Contribution": 0.428415, "FDA_Category_X_Top_Rank": -0.0136815, "FDA_Category_D_and_X_L1000_Similarity": 0.0393798, "FDA_Category_D_and_X_Structural_Similarity": 5.49325, "FDA_Category_D_and_X_Weighted_Contribution": 4.04213, "FDA_Category_D_and_X_Top_Rank": 1.69128, "Placenta_Crossing_L1000_Similarity": -0.00370383, "Placenta_Crossing_Structural_Similarity": 1.74242, "Placenta_Crossing_Weighted_Contribution": 1.66064, "Placenta_Crossing_Top_Rank": 0.00307421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC", "InChI_key": "GGCSSNBKKAUURC-UHFFFAOYSA-N" } }, "CID:4171": { "type": "Drug", "properties": { "id": "CID:4171", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4171", "label": "metoprolol", "FDA_Category_D_L1000_Similarity": 1.58306, "FDA_Category_D_Structural_Similarity": -0.707002, "FDA_Category_D_Weighted_Contribution": 0.0935598, "FDA_Category_D_Top_Rank": 0.00968499, "FDA_Category_X_L1000_Similarity": 0.533298, "FDA_Category_X_Structural_Similarity": -0.323944, "FDA_Category_X_Weighted_Contribution": -0.175874, "FDA_Category_X_Top_Rank": -0.0820552, "FDA_Category_D_and_X_L1000_Similarity": 1.52658, "FDA_Category_D_and_X_Structural_Similarity": -0.735955, "FDA_Category_D_and_X_Weighted_Contribution": -0.0248007, "FDA_Category_D_and_X_Top_Rank": -0.0197073, "Placenta_Crossing_L1000_Similarity": 2.12012, "Placenta_Crossing_Structural_Similarity": 2.74512, "Placenta_Crossing_Weighted_Contribution": 3.42274, "Placenta_Crossing_Top_Rank": 0.139164, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O", "InChI_key": "IUBSYMUCCVWXPE-UHFFFAOYSA-N" } }, "CID:41781": { "type": "Drug", "properties": { "id": "CID:41781", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID41781", "label": "torasemide", "FDA_Category_D_L1000_Similarity": 0.529597, "FDA_Category_D_Structural_Similarity": -0.862767, "FDA_Category_D_Weighted_Contribution": -0.578866, "FDA_Category_D_Top_Rank": -0.0845599, "FDA_Category_X_L1000_Similarity": 1.37052, "FDA_Category_X_Structural_Similarity": -0.684341, "FDA_Category_X_Weighted_Contribution": -0.120774, "FDA_Category_X_Top_Rank": -0.0549859, "FDA_Category_D_and_X_L1000_Similarity": 0.872726, "FDA_Category_D_and_X_Structural_Similarity": -1.05406, "FDA_Category_D_and_X_Weighted_Contribution": -0.59573, "FDA_Category_D_and_X_Top_Rank": -0.075251, "Placenta_Crossing_L1000_Similarity": 2.05134, "Placenta_Crossing_Structural_Similarity": -0.917904, "Placenta_Crossing_Weighted_Contribution": -0.0223894, "Placenta_Crossing_Top_Rank": 0.0563818, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C", "InChI_key": "NGBFQHCMQULJNZ-UHFFFAOYSA-N" } }, "CID:4207396": { "type": "Drug", "properties": { "id": "CID:4207396", "label": "st-014147", "lsm": "LSM-4899", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4207396", "FDA_Category_D_L1000_Similarity": 0.83785, "FDA_Category_D_Structural_Similarity": -0.569668, "FDA_Category_D_Weighted_Contribution": -0.184906, "FDA_Category_D_Top_Rank": -0.0742319, "FDA_Category_X_L1000_Similarity": -1.23864, "FDA_Category_X_Structural_Similarity": -0.688653, "FDA_Category_X_Weighted_Contribution": -1.12193, "FDA_Category_X_Top_Rank": -0.0915887, "FDA_Category_D_and_X_L1000_Similarity": 0.346089, "FDA_Category_D_and_X_Structural_Similarity": -0.823747, "FDA_Category_D_and_X_Weighted_Contribution": -0.643398, "FDA_Category_D_and_X_Top_Rank": -0.0882996, "Placenta_Crossing_L1000_Similarity": -0.154402, "Placenta_Crossing_Structural_Similarity": 1.11868, "Placenta_Crossing_Weighted_Contribution": 0.907307, "Placenta_Crossing_Top_Rank": -0.044608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C3=C(C(C(=C(N3)N)C#N)C4=CC=C(C=C4)Br)C(=O)O2", "InChI_key": "KMBPMDRMEHVHTJ-UHFFFAOYSA-N" } }, "CID:42618298": { "type": "Drug", "properties": { "id": "CID:42618298", "label": "BG-1030", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42618298", "FDA_Category_D_L1000_Similarity": 0.808637, "FDA_Category_D_Structural_Similarity": 0.520658, "FDA_Category_D_Weighted_Contribution": 0.894516, "FDA_Category_D_Top_Rank": -0.0702523, "FDA_Category_X_L1000_Similarity": -0.777222, "FDA_Category_X_Structural_Similarity": -0.57075, "FDA_Category_X_Weighted_Contribution": -0.903412, "FDA_Category_X_Top_Rank": -0.0907332, "FDA_Category_D_and_X_L1000_Similarity": 0.461023, "FDA_Category_D_and_X_Structural_Similarity": 0.105279, "FDA_Category_D_and_X_Weighted_Contribution": 0.206052, "FDA_Category_D_and_X_Top_Rank": -0.0839259, "Placenta_Crossing_L1000_Similarity": 0.369366, "Placenta_Crossing_Structural_Similarity": -0.405245, "Placenta_Crossing_Weighted_Contribution": -0.324358, "Placenta_Crossing_Top_Rank": -0.084843, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42785": { "type": "Drug", "properties": { "id": "CID:42785", "label": "metenkephalin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42785", "FDA_Category_D_L1000_Similarity": 0.270703, "FDA_Category_D_Structural_Similarity": -0.516208, "FDA_Category_D_Weighted_Contribution": -0.424053, "FDA_Category_D_Top_Rank": -0.0892678, "FDA_Category_X_L1000_Similarity": 1.00718, "FDA_Category_X_Structural_Similarity": -0.0906965, "FDA_Category_X_Weighted_Contribution": 0.290459, "FDA_Category_X_Top_Rank": -0.0711468, "FDA_Category_D_and_X_L1000_Similarity": 0.539214, "FDA_Category_D_and_X_Structural_Similarity": -0.458661, "FDA_Category_D_and_X_Weighted_Contribution": -0.269653, "FDA_Category_D_and_X_Top_Rank": -0.0848928, "Placenta_Crossing_L1000_Similarity": 0.705202, "Placenta_Crossing_Structural_Similarity": -0.452956, "Placenta_Crossing_Weighted_Contribution": -0.218968, "Placenta_Crossing_Top_Rank": -0.078771, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4289": { "type": "Drug", "properties": { "id": "CID:4289", "label": "ro-16-6941", "lsm": "LSM-2985", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4289", "FDA_Category_D_L1000_Similarity": 0.963375, "FDA_Category_D_Structural_Similarity": -0.860411, "FDA_Category_D_Weighted_Contribution": -0.373123, "FDA_Category_D_Top_Rank": -0.0673981, "FDA_Category_X_L1000_Similarity": 0.951857, "FDA_Category_X_Structural_Similarity": -0.68145, "FDA_Category_X_Weighted_Contribution": -0.311104, "FDA_Category_X_Top_Rank": -0.0728724, "FDA_Category_D_and_X_L1000_Similarity": 1.1195, "FDA_Category_D_and_X_Structural_Similarity": -1.05063, "FDA_Category_D_and_X_Weighted_Contribution": -0.487621, "FDA_Category_D_and_X_Top_Rank": -0.061193, "Placenta_Crossing_L1000_Similarity": 1.34567, "Placenta_Crossing_Structural_Similarity": -0.798679, "Placenta_Crossing_Weighted_Contribution": -0.237123, "Placenta_Crossing_Top_Rank": -0.0527087, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)NCCN)Cl", "InChI_key": "AIHKMGLJGLKLSI-UHFFFAOYSA-N" } }, "CID:4308": { "type": "Drug", "properties": { "id": "CID:4308", "label": "npc-15199", "lsm": "LSM-1586", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4308", "FDA_Category_D_L1000_Similarity": 0.686884, "FDA_Category_D_Structural_Similarity": -0.559535, "FDA_Category_D_Weighted_Contribution": -0.254146, "FDA_Category_D_Top_Rank": -0.0800421, "FDA_Category_X_L1000_Similarity": 0.0087472, "FDA_Category_X_Structural_Similarity": -0.632356, "FDA_Category_X_Weighted_Contribution": -0.66337, "FDA_Category_X_Top_Rank": -0.0875457, "FDA_Category_D_and_X_L1000_Similarity": 0.594765, "FDA_Category_D_and_X_Structural_Similarity": -0.785327, "FDA_Category_D_and_X_Weighted_Contribution": -0.510063, "FDA_Category_D_and_X_Top_Rank": -0.0835924, "Placenta_Crossing_L1000_Similarity": 0.570697, "Placenta_Crossing_Structural_Similarity": 1.07811, "Placenta_Crossing_Weighted_Contribution": 1.2604, "Placenta_Crossing_Top_Rank": -0.0467076, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13", "InChI_key": "CBPJQFCAFFNICX-UHFFFAOYSA-N" } }, "CID:4363": { "type": "Drug", "properties": { "id": "CID:4363", "label": "N-formylmethionylalanine", "lsm": "LSM-1678", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4363", "FDA_Category_D_L1000_Similarity": 0.648968, "FDA_Category_D_Structural_Similarity": -0.748002, "FDA_Category_D_Weighted_Contribution": -0.432484, "FDA_Category_D_Top_Rank": -0.0811807, "FDA_Category_X_L1000_Similarity": 0.568399, "FDA_Category_X_Structural_Similarity": 1.42168, "FDA_Category_X_Weighted_Contribution": 1.73387, "FDA_Category_X_Top_Rank": -0.0136815, "FDA_Category_D_and_X_L1000_Similarity": 0.732031, "FDA_Category_D_and_X_Structural_Similarity": 0.173432, "FDA_Category_D_and_X_Weighted_Contribution": 0.424411, "FDA_Category_D_and_X_Top_Rank": -0.0802308, "Placenta_Crossing_L1000_Similarity": 1.48711, "Placenta_Crossing_Structural_Similarity": -0.88398, "Placenta_Crossing_Weighted_Contribution": -0.24888, "Placenta_Crossing_Top_Rank": -0.0410874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4375": { "type": "Drug", "properties": { "id": "CID:4375", "label": "fg-7142", "lsm": "LSM-3376", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4375", "FDA_Category_D_L1000_Similarity": 1.34293, "FDA_Category_D_Structural_Similarity": -0.428802, "FDA_Category_D_Weighted_Contribution": 0.228487, "FDA_Category_D_Top_Rank": -0.0326731, "FDA_Category_X_L1000_Similarity": -0.666859, "FDA_Category_X_Structural_Similarity": -0.260226, "FDA_Category_X_Weighted_Contribution": -0.636912, "FDA_Category_X_Top_Rank": -0.08572, "FDA_Category_D_and_X_L1000_Similarity": 0.955121, "FDA_Category_D_and_X_Structural_Similarity": -0.480763, "FDA_Category_D_and_X_Weighted_Contribution": -0.0842198, "FDA_Category_D_and_X_Top_Rank": -0.0715291, "Placenta_Crossing_L1000_Similarity": 1.81229, "Placenta_Crossing_Structural_Similarity": -0.890372, "Placenta_Crossing_Weighted_Contribution": -0.108352, "Placenta_Crossing_Top_Rank": 0.00232031, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2", "InChI_key": "QMCOPDWHWYSJSA-UHFFFAOYSA-N" } }, "CID:438981": { "type": "Drug", "properties": { "id": "CID:438981", "label": "nsc-693868", "lsm": "LSM-2675", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/438981", "FDA_Category_D_L1000_Similarity": 1.48964, "FDA_Category_D_Structural_Similarity": 0.191923, "FDA_Category_D_Weighted_Contribution": 0.970612, "FDA_Category_D_Top_Rank": -0.0108106, "FDA_Category_X_L1000_Similarity": -0.657732, "FDA_Category_X_Structural_Similarity": -0.202799, "FDA_Category_X_Weighted_Contribution": -0.587878, "FDA_Category_X_Top_Rank": -0.0846331, "FDA_Category_D_and_X_L1000_Similarity": 1.08435, "FDA_Category_D_and_X_Structural_Similarity": 0.0429027, "FDA_Category_D_and_X_Weighted_Contribution": 0.492476, "FDA_Category_D_and_X_Top_Rank": -0.0638764, "Placenta_Crossing_L1000_Similarity": 0.848758, "Placenta_Crossing_Structural_Similarity": -0.63986, "Placenta_Crossing_Weighted_Contribution": -0.31711, "Placenta_Crossing_Top_Rank": -0.0750266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=NC3=C(NN=C3N=C2C=C1)N", "InChI_key": "DWHVZCLBMTZRQM-UHFFFAOYSA-N" } }, "CID:439246": { "type": "Drug", "properties": { "id": "CID:439246", "label": "naringenin", "lsm": "LSM-1927", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/439246", "FDA_Category_D_L1000_Similarity": 2.47917, "FDA_Category_D_Structural_Similarity": -0.526733, "FDA_Category_D_Weighted_Contribution": 0.819743, "FDA_Category_D_Top_Rank": 0.904301, "FDA_Category_X_L1000_Similarity": 0.286131, "FDA_Category_X_Structural_Similarity": 0.350892, "FDA_Category_X_Weighted_Contribution": 0.375477, "FDA_Category_X_Top_Rank": -0.0676695, "FDA_Category_D_and_X_L1000_Similarity": 2.22398, "FDA_Category_D_and_X_Structural_Similarity": -0.228735, "FDA_Category_D_and_X_Weighted_Contribution": 0.875744, "FDA_Category_D_and_X_Top_Rank": 0.228855, "Placenta_Crossing_L1000_Similarity": 2.45055, "Placenta_Crossing_Structural_Similarity": -0.694239, "Placenta_Crossing_Weighted_Contribution": 0.392499, "Placenta_Crossing_Top_Rank": 0.246564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O", "InChI_key": "FTVWIRXFELQLPI-ZDUSSCGKSA-N" } }, "CID:439503": { "type": "Drug", "properties": { "id": "CID:439503", "label": "salicin", "lsm": "LSM-3442", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/439503", "FDA_Category_D_L1000_Similarity": 0.885931, "FDA_Category_D_Structural_Similarity": -0.543633, "FDA_Category_D_Weighted_Contribution": -0.136053, "FDA_Category_D_Top_Rank": -0.0722254, "FDA_Category_X_L1000_Similarity": 0.915277, "FDA_Category_X_Structural_Similarity": -0.685336, "FDA_Category_X_Weighted_Contribution": -0.330856, "FDA_Category_X_Top_Rank": -0.0739931, "FDA_Category_D_and_X_L1000_Similarity": 1.04164, "FDA_Category_D_and_X_Structural_Similarity": -0.801294, "FDA_Category_D_and_X_Weighted_Contribution": -0.321151, "FDA_Category_D_and_X_Top_Rank": -0.0664476, "Placenta_Crossing_L1000_Similarity": 1.172, "Placenta_Crossing_Structural_Similarity": -0.572344, "Placenta_Crossing_Weighted_Contribution": -0.114503, "Placenta_Crossing_Top_Rank": -0.0631652, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O", "InChI_key": "NGFMICBWJRZIBI-UJPOAAIJSA-N" } }, "CID:44112": { "type": "Drug", "properties": { "id": "CID:44112", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44112", "label": "bopindolol", "FDA_Category_D_L1000_Similarity": 0.275013, "FDA_Category_D_Structural_Similarity": 0.161986, "FDA_Category_D_Weighted_Contribution": 0.194213, "FDA_Category_D_Top_Rank": -0.0809774, "FDA_Category_X_L1000_Similarity": 1.86793, "FDA_Category_X_Structural_Similarity": 0.646197, "FDA_Category_X_Weighted_Contribution": 1.59266, "FDA_Category_X_Top_Rank": -0.0111153, "FDA_Category_D_and_X_L1000_Similarity": 0.804311, "FDA_Category_D_and_X_Structural_Similarity": 0.477256, "FDA_Category_D_and_X_Weighted_Contribution": 0.780713, "FDA_Category_D_and_X_Top_Rank": -0.07459, "Placenta_Crossing_L1000_Similarity": 1.15141, "Placenta_Crossing_Structural_Similarity": 0.48813, "Placenta_Crossing_Weighted_Contribution": 0.941549, "Placenta_Crossing_Top_Rank": -0.0643563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3", "InChI_key": "UUOJIACWOAYWEZ-UHFFFAOYSA-N" } }, "CID:441314": { "type": "Drug", "properties": { "id": "CID:441314", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441314", "label": "miglitol", "FDA_Category_D_L1000_Similarity": 0.362467, "FDA_Category_D_Structural_Similarity": 1.12473, "FDA_Category_D_Weighted_Contribution": 1.26877, "FDA_Category_D_Top_Rank": -0.0449516, "FDA_Category_X_L1000_Similarity": 2.33957, "FDA_Category_X_Structural_Similarity": -0.518409, "FDA_Category_X_Weighted_Contribution": 0.545503, "FDA_Category_X_Top_Rank": 0.0908606, "FDA_Category_D_and_X_L1000_Similarity": 1.02294, "FDA_Category_D_and_X_Structural_Similarity": 0.612985, "FDA_Category_D_and_X_Weighted_Contribution": 1.05531, "FDA_Category_D_and_X_Top_Rank": -0.0677087, "Placenta_Crossing_L1000_Similarity": 0.958955, "Placenta_Crossing_Structural_Similarity": 0.0586817, "Placenta_Crossing_Weighted_Contribution": 0.388671, "Placenta_Crossing_Top_Rank": -0.071809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(C(C(N1CCO)CO)O)O)O", "InChI_key": "IBAQFPQHRJAVAV-ULAWRXDQSA-N" } }, "CID:44143700": { "type": "Drug", "properties": { "id": "CID:44143700", "label": "KUC103424N", "lsm": "LSM-1876", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44143700", "FDA_Category_D_L1000_Similarity": 0.61809, "FDA_Category_D_Structural_Similarity": 0.252838, "FDA_Category_D_Weighted_Contribution": 0.490491, "FDA_Category_D_Top_Rank": -0.0784651, "FDA_Category_X_L1000_Similarity": 0.0275275, "FDA_Category_X_Structural_Similarity": -0.276928, "FDA_Category_X_Weighted_Contribution": -0.362454, "FDA_Category_X_Top_Rank": -0.0860588, "FDA_Category_D_and_X_L1000_Similarity": 0.541166, "FDA_Category_D_and_X_Structural_Similarity": 0.0512513, "FDA_Category_D_and_X_Weighted_Contribution": 0.197214, "FDA_Category_D_and_X_Top_Rank": -0.0848497, "Placenta_Crossing_L1000_Similarity": 0.413329, "Placenta_Crossing_Structural_Similarity": 3.19426, "Placenta_Crossing_Weighted_Contribution": 3.15828, "Placenta_Crossing_Top_Rank": 0.246564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:441594": { "type": "Drug", "properties": { "id": "CID:441594", "label": "hippeastrine", "lsm": "LSM-3588", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441594", "FDA_Category_D_L1000_Similarity": 1.52465, "FDA_Category_D_Structural_Similarity": -0.55166, "FDA_Category_D_Weighted_Contribution": 0.212148, "FDA_Category_D_Top_Rank": -0.00291581, "FDA_Category_X_L1000_Similarity": -0.47149, "FDA_Category_X_Structural_Similarity": -0.422996, "FDA_Category_X_Weighted_Contribution": -0.687125, "FDA_Category_X_Top_Rank": -0.0886033, "FDA_Category_D_and_X_L1000_Similarity": 1.17109, "FDA_Category_D_and_X_Structural_Similarity": -0.666107, "FDA_Category_D_and_X_Weighted_Contribution": -0.141859, "FDA_Category_D_and_X_Top_Rank": -0.0571084, "Placenta_Crossing_L1000_Similarity": 1.77052, "Placenta_Crossing_Structural_Similarity": -0.467084, "Placenta_Crossing_Weighted_Contribution": 0.274199, "Placenta_Crossing_Top_Rank": -0.00496787, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(C3C(C21)C4=CC5=C(C=C4C(=O)O3)OCO5)O", "InChI_key": "DGQPIOQRPAGNGB-DANNLKNASA-N" } }, "CID:4423767": { "type": "Drug", "properties": { "id": "CID:4423767", "label": "stk-674938", "lsm": "LSM-4917", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4423767", "FDA_Category_D_L1000_Similarity": 1.82586, "FDA_Category_X_L1000_Similarity": 0.870727, "FDA_Category_D_and_X_L1000_Similarity": 1.83834, "Placenta_Crossing_L1000_Similarity": 2.09087, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C=CCC2C1C(=O)N(C2=O)C3CC(=O)C4OCC3O4", "InChI_key": "WPWKPJTVPOJIJC-UHFFFAOYSA-N" } }, "CID:44295709": { "type": "Drug", "properties": { "id": "CID:44295709", "label": "RTI-55", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44295709", "FDA_Category_D_L1000_Similarity": -0.271778, "FDA_Category_D_Structural_Similarity": -0.331367, "FDA_Category_D_Weighted_Contribution": -0.530673, "FDA_Category_D_Top_Rank": -0.0919138, "FDA_Category_X_L1000_Similarity": 0.42766, "FDA_Category_X_Structural_Similarity": -0.442755, "FDA_Category_X_Weighted_Contribution": -0.332119, "FDA_Category_X_Top_Rank": -0.0834403, "FDA_Category_D_and_X_L1000_Similarity": -0.104405, "FDA_Category_D_and_X_Structural_Similarity": -0.501919, "FDA_Category_D_and_X_Weighted_Contribution": -0.592464, "FDA_Category_D_and_X_Top_Rank": -0.0930136, "Placenta_Crossing_L1000_Similarity": -0.580168, "Placenta_Crossing_Structural_Similarity": -0.692171, "Placenta_Crossing_Weighted_Contribution": -0.892171, "Placenta_Crossing_Top_Rank": -0.0910127, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44483163": { "type": "Drug", "properties": { "id": "CID:44483163", "label": "iwr-1-endo", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483163", "FDA_Category_D_L1000_Similarity": 0.646557, "FDA_Category_D_Structural_Similarity": -0.570549, "FDA_Category_D_Weighted_Contribution": -0.284272, "FDA_Category_D_Top_Rank": -0.0812559, "FDA_Category_X_L1000_Similarity": 0.878824, "FDA_Category_X_Structural_Similarity": -0.124259, "FDA_Category_X_Weighted_Contribution": 0.189299, "FDA_Category_X_Top_Rank": -0.0749498, "FDA_Category_D_and_X_L1000_Similarity": 0.824224, "FDA_Category_D_and_X_Structural_Similarity": -0.519902, "FDA_Category_D_and_X_Weighted_Contribution": -0.184454, "FDA_Category_D_and_X_Top_Rank": -0.0768127, "Placenta_Crossing_L1000_Similarity": 0.928106, "Placenta_Crossing_Structural_Similarity": 0.700685, "Placenta_Crossing_Weighted_Contribution": 1.04845, "Placenta_Crossing_Top_Rank": -0.0631652, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6", "InChI_key": "ZGSXEXBYLJIOGF-ALFLXDJESA-N" } }, "CID:44483339": { "type": "Drug", "properties": { "id": "CID:44483339", "label": "bvt-948", "lsm": "LSM-1393", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483339", "FDA_Category_D_L1000_Similarity": -1.99109, "FDA_Category_D_Structural_Similarity": -0.864646, "FDA_Category_D_Weighted_Contribution": -1.42001, "FDA_Category_D_Top_Rank": -0.096822, "FDA_Category_X_L1000_Similarity": -2.67201, "FDA_Category_X_Structural_Similarity": 0.0441093, "FDA_Category_X_Weighted_Contribution": -1.11294, "FDA_Category_X_Top_Rank": -0.0787101, "FDA_Category_D_and_X_L1000_Similarity": -2.52778, "FDA_Category_D_and_X_Structural_Similarity": -0.662479, "FDA_Category_D_and_X_Weighted_Contribution": -1.42266, "FDA_Category_D_and_X_Top_Rank": -0.0952268, "Placenta_Crossing_L1000_Similarity": -2.99489, "Placenta_Crossing_Structural_Similarity": -0.83933, "Placenta_Crossing_Weighted_Contribution": -1.53031, "Placenta_Crossing_Top_Rank": -0.0919134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2C(=NC1=O)C3=CC=CC=C3C(=O)C2=O)C", "InChI_key": "AJVXVYTVAAWZAP-UHFFFAOYSA-N" } }, "CID:44484010": { "type": "Drug", "properties": { "id": "CID:44484010", "label": "SA-85764", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484010", "FDA_Category_D_L1000_Similarity": -0.0388146, "FDA_Category_X_L1000_Similarity": -0.452882, "FDA_Category_D_and_X_L1000_Similarity": -0.170996, "Placenta_Crossing_L1000_Similarity": 0.781401, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44484239": { "type": "Drug", "properties": { "id": "CID:44484239", "label": "SA-90153", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484239", "FDA_Category_D_L1000_Similarity": -0.264353, "FDA_Category_D_Structural_Similarity": -0.820774, "FDA_Category_D_Weighted_Contribution": -0.878289, "FDA_Category_D_Top_Rank": -0.0940369, "FDA_Category_X_L1000_Similarity": -0.0904372, "FDA_Category_X_Structural_Similarity": 0.487573, "FDA_Category_X_Weighted_Contribution": 0.320853, "FDA_Category_X_Top_Rank": -0.0624953, "FDA_Category_D_and_X_L1000_Similarity": -0.255342, "FDA_Category_D_and_X_Structural_Similarity": -0.388367, "FDA_Category_D_and_X_Weighted_Contribution": -0.570802, "FDA_Category_D_and_X_Top_Rank": -0.0928317, "Placenta_Crossing_L1000_Similarity": 0.0441607, "Placenta_Crossing_Structural_Similarity": -0.57703, "Placenta_Crossing_Weighted_Contribution": -0.593102, "Placenta_Crossing_Top_Rank": -0.0880082, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44485323": { "type": "Drug", "properties": { "id": "CID:44485323", "label": "SA-86418", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44485323", "FDA_Category_D_L1000_Similarity": 0.239204, "FDA_Category_D_Structural_Similarity": -0.115096, "FDA_Category_D_Weighted_Contribution": -0.0904909, "FDA_Category_D_Top_Rank": -0.0878958, "FDA_Category_X_L1000_Similarity": -0.0748702, "FDA_Category_X_Structural_Similarity": 0.849968, "FDA_Category_X_Weighted_Contribution": 0.721597, "FDA_Category_X_Top_Rank": -0.0477836, "FDA_Category_D_and_X_L1000_Similarity": 0.183465, "FDA_Category_D_and_X_Structural_Similarity": 0.367286, "FDA_Category_D_and_X_Weighted_Contribution": 0.310559, "FDA_Category_D_and_X_Top_Rank": -0.0778153, "Placenta_Crossing_L1000_Similarity": 0.260094, "Placenta_Crossing_Structural_Similarity": 0.682945, "Placenta_Crossing_Weighted_Contribution": 0.667595, "Placenta_Crossing_Top_Rank": -0.0635491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44487334": { "type": "Drug", "properties": { "id": "CID:44487334", "label": "SA-89705", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44487334", "FDA_Category_D_L1000_Similarity": 0.339516, "FDA_Category_D_Structural_Similarity": 1.33687, "FDA_Category_D_Weighted_Contribution": 1.4858, "FDA_Category_D_Top_Rank": -0.0317979, "FDA_Category_X_L1000_Similarity": -1.56385, "FDA_Category_X_Structural_Similarity": -0.656365, "FDA_Category_X_Weighted_Contribution": -1.1951, "FDA_Category_X_Top_Rank": -0.0916096, "FDA_Category_D_and_X_L1000_Similarity": -0.18224, "FDA_Category_D_and_X_Structural_Similarity": 0.706919, "FDA_Category_D_and_X_Weighted_Contribution": 0.445657, "FDA_Category_D_and_X_Top_Rank": -0.0670215, "Placenta_Crossing_L1000_Similarity": -0.844799, "Placenta_Crossing_Structural_Similarity": 0.262158, "Placenta_Crossing_Weighted_Contribution": -0.280628, "Placenta_Crossing_Top_Rank": -0.0761616, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44488016": { "type": "Drug", "properties": { "id": "CID:44488016", "label": "sa-94315", "lsm": "LSM-6088", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488016", "FDA_Category_D_L1000_Similarity": 1.00263, "FDA_Category_X_L1000_Similarity": 0.39029, "FDA_Category_D_and_X_L1000_Similarity": 0.982802, "Placenta_Crossing_L1000_Similarity": 1.44418, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)S(=O)(=O)C5=CC=C(C=C5)OC)C(C)CO", "InChI_key": "FXIXTIXYCSOXIT-WDCWYOMISA-N" } }, "CID:44490224": { "type": "Drug", "properties": { "id": "CID:44490224", "label": "SA-101841", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44490224", "FDA_Category_D_L1000_Similarity": 0.465853, "FDA_Category_X_L1000_Similarity": 0.76803, "FDA_Category_D_and_X_L1000_Similarity": 0.634813, "Placenta_Crossing_L1000_Similarity": -0.202374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44490257": { "type": "Drug", "properties": { "id": "CID:44490257", "label": "SA-102607", "lsm": "LSM-14734", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44490257", "FDA_Category_D_L1000_Similarity": 0.40052, "FDA_Category_X_L1000_Similarity": 0.671341, "FDA_Category_D_and_X_L1000_Similarity": 0.549131, "Placenta_Crossing_L1000_Similarity": 0.313257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44490857": { "type": "Drug", "properties": { "id": "CID:44490857", "label": "sa-103123", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44490857", "FDA_Category_D_L1000_Similarity": 1.97991, "FDA_Category_X_L1000_Similarity": -1.32361, "FDA_Category_D_and_X_L1000_Similarity": 1.30476, "Placenta_Crossing_L1000_Similarity": 0.954833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)CCCN(C)C", "InChI_key": "YRAOJEGTHQJVGH-RTAAPDIRSA-N" } }, "CID:44494463": { "type": "Drug", "properties": { "id": "CID:44494463", "label": "SA-242443", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494463", "FDA_Category_D_L1000_Similarity": 0.475905, "FDA_Category_X_L1000_Similarity": 0.607993, "FDA_Category_D_and_X_L1000_Similarity": 0.594876, "Placenta_Crossing_L1000_Similarity": 0.433434, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44495084": { "type": "Drug", "properties": { "id": "CID:44495084", "label": "SA-440772", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44495084", "FDA_Category_D_L1000_Similarity": 0.555617, "FDA_Category_D_Structural_Similarity": -0.847358, "FDA_Category_D_Weighted_Contribution": -0.555227, "FDA_Category_D_Top_Rank": -0.083823, "FDA_Category_X_L1000_Similarity": -0.365098, "FDA_Category_X_Structural_Similarity": 0.187307, "FDA_Category_X_Weighted_Contribution": -0.117801, "FDA_Category_X_Top_Rank": -0.0738008, "FDA_Category_D_and_X_L1000_Similarity": 0.36808, "FDA_Category_D_and_X_Structural_Similarity": -0.571489, "FDA_Category_D_and_X_Weighted_Contribution": -0.441887, "FDA_Category_D_and_X_Top_Rank": -0.0879647, "Placenta_Crossing_L1000_Similarity": 1.24319, "Placenta_Crossing_Structural_Similarity": 2.79651, "Placenta_Crossing_Weighted_Contribution": 3.17427, "Placenta_Crossing_Top_Rank": 0.1478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505490": { "type": "Drug", "properties": { "id": "CID:44505490", "label": "SA-419172", "lsm": "LSM-15084", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505490", "FDA_Category_D_L1000_Similarity": 2.00476, "FDA_Category_X_L1000_Similarity": 0.149522, "FDA_Category_D_and_X_L1000_Similarity": 1.77355, "Placenta_Crossing_L1000_Similarity": 2.44263, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44506448": { "type": "Drug", "properties": { "id": "CID:44506448", "label": "BG-1004", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44506448", "FDA_Category_D_L1000_Similarity": -0.588241, "FDA_Category_D_Structural_Similarity": 1.53328, "FDA_Category_D_Weighted_Contribution": 1.10657, "FDA_Category_D_Top_Rank": -0.0132667, "FDA_Category_X_L1000_Similarity": -1.21896, "FDA_Category_X_Structural_Similarity": -0.282015, "FDA_Category_X_Weighted_Contribution": -0.85702, "FDA_Category_X_Top_Rank": -0.0861624, "FDA_Category_D_and_X_L1000_Similarity": -0.87725, "FDA_Category_D_and_X_Structural_Similarity": 1.06481, "FDA_Category_D_and_X_Weighted_Contribution": 0.413567, "FDA_Category_D_and_X_Top_Rank": -0.0491291, "Placenta_Crossing_L1000_Similarity": -0.964637, "Placenta_Crossing_Structural_Similarity": 0.271885, "Placenta_Crossing_Weighted_Contribution": -0.324038, "Placenta_Crossing_Top_Rank": -0.0757926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44511091": { "type": "Drug", "properties": { "id": "CID:44511091", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44511091", "label": "formestane", "FDA_Category_D_L1000_Similarity": -1.16986, "FDA_Category_D_Structural_Similarity": 1.2593, "FDA_Category_D_Weighted_Contribution": 0.44844, "FDA_Category_D_Top_Rank": -0.0368225, "FDA_Category_X_L1000_Similarity": -0.410438, "FDA_Category_X_Structural_Similarity": 3.16953, "FDA_Category_X_Weighted_Contribution": 3.0047, "FDA_Category_X_Top_Rank": 0.253934, "FDA_Category_D_and_X_L1000_Similarity": -1.13309, "FDA_Category_D_and_X_Structural_Similarity": 2.70979, "FDA_Category_D_and_X_Weighted_Contribution": 1.98979, "FDA_Category_D_and_X_Top_Rank": 0.13821, "Placenta_Crossing_L1000_Similarity": 0.882708, "Placenta_Crossing_Structural_Similarity": 0.690117, "Placenta_Crossing_Weighted_Contribution": 1.01222, "Placenta_Crossing_Top_Rank": -0.0633694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C(=O)C1CCC3C2CCC4(C3CCC4=O)C", "InChI_key": "ZMEULISFKSVRLQ-UHFFFAOYSA-N" } }, "CID:445354": { "type": "Drug", "properties": { "id": "CID:445354", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID445354", "label": "vitamin a", "FDA_Category_D_L1000_Similarity": 0.199181, "FDA_Category_D_Structural_Similarity": -0.754951, "FDA_Category_D_Weighted_Contribution": -0.643554, "FDA_Category_D_Top_Rank": -0.0902129, "FDA_Category_X_L1000_Similarity": 0.0374396, "FDA_Category_X_Structural_Similarity": 1.19978, "FDA_Category_X_Weighted_Contribution": 1.17979, "FDA_Category_X_Top_Rank": -0.0283953, "FDA_Category_D_and_X_L1000_Similarity": 0.183062, "FDA_Category_D_and_X_Structural_Similarity": 0.0481834, "FDA_Category_D_and_X_Weighted_Contribution": 0.00382524, "FDA_Category_D_and_X_Top_Rank": -0.0853595, "Placenta_Crossing_L1000_Similarity": 0.813067, "Placenta_Crossing_Structural_Similarity": 0.20355, "Placenta_Crossing_Weighted_Contribution": 0.46091, "Placenta_Crossing_Top_Rank": -0.0759509, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C", "InChI_key": "FPIPGXGPPPQFEQ-OVSJKPMPSA-N" } }, "CID:44551660": { "type": "Drug", "properties": { "id": "CID:44551660", "label": "cp466722", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44551660", "FDA_Category_D_L1000_Similarity": -0.627769, "FDA_Category_D_Structural_Similarity": -0.278019, "FDA_Category_D_Weighted_Contribution": -0.648985, "FDA_Category_D_Top_Rank": -0.0910092, "FDA_Category_X_L1000_Similarity": -1.39555, "FDA_Category_X_Structural_Similarity": -0.608996, "FDA_Category_X_Weighted_Contribution": -1.12127, "FDA_Category_X_Top_Rank": -0.0911634, "FDA_Category_D_and_X_L1000_Similarity": -0.964959, "FDA_Category_D_and_X_Structural_Similarity": -0.549279, "FDA_Category_D_and_X_Weighted_Contribution": -0.948579, "FDA_Category_D_and_X_Top_Rank": -0.0943996, "Placenta_Crossing_L1000_Similarity": -0.0203161, "Placenta_Crossing_Structural_Similarity": -0.944075, "Placenta_Crossing_Weighted_Contribution": -0.871695, "Placenta_Crossing_Top_Rank": -0.0884953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC", "InChI_key": "ILBRKJBKDGCSCB-UHFFFAOYSA-N" } }, "CID:44557636": { "type": "Drug", "properties": { "id": "CID:44557636", "label": "dipraglurant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44557636", "FDA_Category_D_L1000_Similarity": 1.21381, "FDA_Category_D_Structural_Similarity": 2.88661, "FDA_Category_D_Weighted_Contribution": 3.34622, "FDA_Category_D_Top_Rank": 0.200697, "FDA_Category_X_L1000_Similarity": 1.6025, "FDA_Category_X_Structural_Similarity": -0.485998, "FDA_Category_X_Weighted_Contribution": 0.189699, "FDA_Category_X_Top_Rank": -0.039121, "FDA_Category_D_and_X_L1000_Similarity": 1.53297, "FDA_Category_D_and_X_Structural_Similarity": 2.02889, "FDA_Category_D_and_X_Weighted_Contribution": 2.73931, "FDA_Category_D_and_X_Top_Rank": 0.0383814, "Placenta_Crossing_L1000_Similarity": 0.141792, "Placenta_Crossing_Structural_Similarity": 0.522246, "Placenta_Crossing_Weighted_Contribution": 0.438553, "Placenta_Crossing_Top_Rank": -0.0689299, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F", "InChI_key": "LZXMUJCJAWVHPZ-UHFFFAOYSA-N" } }, "CID:445858": { "type": "Drug", "properties": { "id": "CID:445858", "label": "ferulic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/445858", "FDA_Category_D_L1000_Similarity": -1.60286, "FDA_Category_D_Structural_Similarity": -0.66278, "FDA_Category_D_Weighted_Contribution": -1.23247, "FDA_Category_D_Top_Rank": -0.0955599, "FDA_Category_X_L1000_Similarity": -1.14486, "FDA_Category_X_Structural_Similarity": -0.57214, "FDA_Category_X_Weighted_Contribution": -1.02377, "FDA_Category_X_Top_Rank": -0.0907587, "FDA_Category_D_and_X_L1000_Similarity": -1.72937, "FDA_Category_D_and_X_Structural_Similarity": -0.834781, "FDA_Category_D_and_X_Weighted_Contribution": -1.31335, "FDA_Category_D_and_X_Top_Rank": -0.0961235, "Placenta_Crossing_L1000_Similarity": -1.24986, "Placenta_Crossing_Structural_Similarity": -0.783242, "Placenta_Crossing_Weighted_Contribution": -1.14044, "Placenta_Crossing_Top_Rank": -0.0916699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C=CC(=O)O)O", "InChI_key": "KSEBMYQBYZTDHS-HWKANZROSA-N" } }, "CID:44593869": { "type": "Drug", "properties": { "id": "CID:44593869", "label": "KU-C103884", "lsm": "LSM-4076", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44593869", "FDA_Category_D_L1000_Similarity": 1.098, "FDA_Category_D_Structural_Similarity": 0.114521, "FDA_Category_D_Weighted_Contribution": 0.64047, "FDA_Category_D_Top_Rank": -0.0584439, "FDA_Category_X_L1000_Similarity": 0.740799, "FDA_Category_X_Structural_Similarity": -0.752315, "FDA_Category_X_Weighted_Contribution": -0.46436, "FDA_Category_X_Top_Rank": -0.0782479, "FDA_Category_D_and_X_L1000_Similarity": 1.17146, "FDA_Category_D_and_X_Structural_Similarity": -0.31505, "FDA_Category_D_and_X_Weighted_Contribution": 0.184641, "FDA_Category_D_and_X_Top_Rank": -0.0570348, "Placenta_Crossing_L1000_Similarity": 0.943675, "Placenta_Crossing_Structural_Similarity": -0.230221, "Placenta_Crossing_Weighted_Contribution": 0.0961205, "Placenta_Crossing_Top_Rank": -0.0724304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44601455": { "type": "Drug", "properties": { "id": "CID:44601455", "label": "wt-171", "lsm": "LSM-6269", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44601455", "FDA_Category_D_L1000_Similarity": -0.957779, "FDA_Category_X_L1000_Similarity": -1.70847, "FDA_Category_D_and_X_L1000_Similarity": -1.34445, "Placenta_Crossing_L1000_Similarity": -1.93583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=NNC(=O)CCCCCCC(=O)NO", "InChI_key": "KXWWYFKVBFUVIZ-SGWCAAJKSA-N" } }, "CID:44601470": { "type": "Drug", "properties": { "id": "CID:44601470", "label": "kuc103893n", "lsm": "LSM-3951", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44601470", "FDA_Category_D_L1000_Similarity": -0.109328, "FDA_Category_D_Structural_Similarity": -0.387804, "FDA_Category_D_Weighted_Contribution": -0.500118, "FDA_Category_D_Top_Rank": -0.0927447, "FDA_Category_X_L1000_Similarity": 1.04524, "FDA_Category_X_Structural_Similarity": -0.474247, "FDA_Category_X_Weighted_Contribution": -0.0755967, "FDA_Category_X_Top_Rank": -0.0701562, "FDA_Category_D_and_X_L1000_Similarity": 0.223173, "FDA_Category_D_and_X_Structural_Similarity": -0.563707, "FDA_Category_D_and_X_Weighted_Contribution": -0.499731, "FDA_Category_D_and_X_Top_Rank": -0.0899398, "Placenta_Crossing_L1000_Similarity": -0.719073, "Placenta_Crossing_Structural_Similarity": 0.688754, "Placenta_Crossing_Weighted_Contribution": 0.16888, "Placenta_Crossing_Top_Rank": -0.0634258, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=C(C=C4)Cl)Cl", "InChI_key": "QDXGAJIGONMOCL-UHFFFAOYSA-N" } }, "CID:446156": { "type": "Drug", "properties": { "id": "CID:446156", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446156", "label": "cerivastatin", "FDA_Category_D_L1000_Similarity": -2.77811, "FDA_Category_D_Structural_Similarity": 1.43926, "FDA_Category_D_Weighted_Contribution": -0.280481, "FDA_Category_D_Top_Rank": -0.0234872, "FDA_Category_X_L1000_Similarity": 1.4708, "FDA_Category_X_Structural_Similarity": 8.95333, "FDA_Category_X_Weighted_Contribution": 4.70172, "FDA_Category_X_Top_Rank": 3.0898, "FDA_Category_D_and_X_L1000_Similarity": -1.94812, "FDA_Category_D_and_X_Structural_Similarity": 5.97354, "FDA_Category_D_and_X_Weighted_Contribution": 3.86386, "FDA_Category_D_and_X_Top_Rank": 2.02356, "Placenta_Crossing_L1000_Similarity": -2.70522, "Placenta_Crossing_Structural_Similarity": 3.37201, "Placenta_Crossing_Weighted_Contribution": 1.93135, "Placenta_Crossing_Top_Rank": 0.296913, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O", "InChI_key": "SEERZIQQUAZTOL-ANMDKAQQSA-N" } }, "CID:44616599": { "type": "Drug", "properties": { "id": "CID:44616599", "label": "SA-427636", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44616599", "FDA_Category_D_L1000_Similarity": 0.579374, "FDA_Category_D_Structural_Similarity": -0.240227, "FDA_Category_D_Weighted_Contribution": -0.0216431, "FDA_Category_D_Top_Rank": -0.0832136, "FDA_Category_X_L1000_Similarity": -1.40998, "FDA_Category_X_Structural_Similarity": -0.266549, "FDA_Category_X_Weighted_Contribution": -0.91179, "FDA_Category_X_Top_Rank": -0.0858823, "FDA_Category_D_and_X_L1000_Similarity": 0.0712486, "FDA_Category_D_and_X_Structural_Similarity": -0.3345, "FDA_Category_D_and_X_Weighted_Contribution": -0.384928, "FDA_Category_D_and_X_Top_Rank": -0.0915754, "Placenta_Crossing_L1000_Similarity": -0.15157, "Placenta_Crossing_Structural_Similarity": 0.0509362, "Placenta_Crossing_Weighted_Contribution": -0.157777, "Placenta_Crossing_Top_Rank": -0.0811988, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44623946": { "type": "Drug", "properties": { "id": "CID:44623946", "label": "n-6022", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623946", "FDA_Category_D_L1000_Similarity": 0.159791, "FDA_Category_D_Structural_Similarity": -0.608979, "FDA_Category_D_Weighted_Contribution": -0.550111, "FDA_Category_D_Top_Rank": -0.0906617, "FDA_Category_X_L1000_Similarity": 1.5125, "FDA_Category_X_Structural_Similarity": -0.644708, "FDA_Category_X_Weighted_Contribution": -0.0142199, "FDA_Category_X_Top_Rank": -0.0461525, "FDA_Category_D_and_X_L1000_Similarity": 0.597057, "FDA_Category_D_and_X_Structural_Similarity": -0.831237, "FDA_Category_D_and_X_Weighted_Contribution": -0.544335, "FDA_Category_D_and_X_Top_Rank": -0.0834997, "Placenta_Crossing_L1000_Similarity": 1.06132, "Placenta_Crossing_Structural_Similarity": -0.842927, "Placenta_Crossing_Weighted_Contribution": -0.39643, "Placenta_Crossing_Top_Rank": -0.0680251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)O", "InChI_key": "YVPGZQLRPAGKLA-UHFFFAOYSA-N" } }, "CID:44640175": { "type": "Drug", "properties": { "id": "CID:44640175", "label": "ku-c104487", "lsm": "LSM-2155", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44640175", "FDA_Category_D_L1000_Similarity": 0.461077, "FDA_Category_D_Structural_Similarity": -0.834937, "FDA_Category_D_Weighted_Contribution": -0.588275, "FDA_Category_D_Top_Rank": -0.0860208, "FDA_Category_X_L1000_Similarity": -1.06062, "FDA_Category_X_Structural_Similarity": -0.403022, "FDA_Category_X_Weighted_Contribution": -0.885807, "FDA_Category_X_Top_Rank": -0.0882529, "FDA_Category_D_and_X_L1000_Similarity": 0.0753577, "FDA_Category_D_and_X_Structural_Similarity": -0.88017, "FDA_Category_D_and_X_Weighted_Contribution": -0.788511, "FDA_Category_D_and_X_Top_Rank": -0.0915364, "Placenta_Crossing_L1000_Similarity": -0.906809, "Placenta_Crossing_Structural_Similarity": -0.851868, "Placenta_Crossing_Weighted_Contribution": -1.08414, "Placenta_Crossing_Top_Rank": -0.0916878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N2C(=CC(=N2)C3=CC(=CC=C3)OC)N=C1C)N4CCN(CC4)C(=O)C5=COC=C5", "InChI_key": "HJPOCDVXOUKSEQ-UHFFFAOYSA-N" } }, "CID:44640177": { "type": "Drug", "properties": { "id": "CID:44640177", "label": "ku-c104491", "lsm": "LSM-3102", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44640177", "FDA_Category_D_L1000_Similarity": -0.897282, "FDA_Category_D_Structural_Similarity": -0.81084, "FDA_Category_D_Weighted_Contribution": -1.09485, "FDA_Category_D_Top_Rank": -0.0961193, "FDA_Category_X_L1000_Similarity": -1.28283, "FDA_Category_X_Structural_Similarity": -0.474692, "FDA_Category_X_Weighted_Contribution": -1.00595, "FDA_Category_X_Top_Rank": -0.0894431, "FDA_Category_D_and_X_L1000_Similarity": -1.16305, "FDA_Category_D_and_X_Structural_Similarity": -0.899716, "FDA_Category_D_and_X_Weighted_Contribution": -1.19846, "FDA_Category_D_and_X_Top_Rank": -0.0963735, "Placenta_Crossing_L1000_Similarity": -1.86237, "Placenta_Crossing_Structural_Similarity": -0.739209, "Placenta_Crossing_Weighted_Contribution": -1.27069, "Placenta_Crossing_Top_Rank": -0.0914484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC=CC=C4)C5=CC=CO5)C(=O)C6=COC=C6", "InChI_key": "LRPGMVPQQLBMNE-UHFFFAOYSA-N" } }, "CID:44828477": { "type": "Drug", "properties": { "id": "CID:44828477", "label": "kuc104542n", "lsm": "LSM-3918", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44828477", "FDA_Category_D_L1000_Similarity": 0.405033, "FDA_Category_D_Structural_Similarity": 1.03897, "FDA_Category_D_Weighted_Contribution": 1.20216, "FDA_Category_D_Top_Rank": -0.0484424, "FDA_Category_X_L1000_Similarity": 0.419636, "FDA_Category_X_Structural_Similarity": -0.601004, "FDA_Category_X_Weighted_Contribution": -0.472275, "FDA_Category_X_Top_Rank": -0.0835177, "FDA_Category_D_and_X_L1000_Similarity": 0.476583, "FDA_Category_D_and_X_Structural_Similarity": 0.500346, "FDA_Category_D_and_X_Weighted_Contribution": 0.612674, "FDA_Category_D_and_X_Top_Rank": -0.0738225, "Placenta_Crossing_L1000_Similarity": 0.560303, "Placenta_Crossing_Structural_Similarity": -0.606443, "Placenta_Crossing_Weighted_Contribution": -0.410894, "Placenta_Crossing_Top_Rank": -0.0818877, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCNC(=O)CN2C3=C(C=CC=N3)N4C=CC=C4C2=O)C5=CC=CC=C5", "InChI_key": "KMARMZLDSPVBTN-UHFFFAOYSA-N" } }, "CID:44907115": { "type": "Drug", "properties": { "id": "CID:44907115", "label": "vu-0413238-1", "lsm": "LSM-3985", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44907115", "FDA_Category_D_L1000_Similarity": -0.124048, "FDA_Category_D_Structural_Similarity": -5.02536e-05, "FDA_Category_D_Weighted_Contribution": -0.179224, "FDA_Category_D_Top_Rank": -0.0852203, "FDA_Category_X_L1000_Similarity": 3.51616, "FDA_Category_X_Structural_Similarity": -0.467255, "FDA_Category_X_Weighted_Contribution": 1.26391, "FDA_Category_X_Top_Rank": 1.98634, "FDA_Category_D_and_X_L1000_Similarity": 0.96085, "FDA_Category_D_and_X_Structural_Similarity": -0.252169, "FDA_Category_D_and_X_Weighted_Contribution": 0.131562, "FDA_Category_D_and_X_Top_Rank": -0.0711794, "Placenta_Crossing_L1000_Similarity": 0.573121, "Placenta_Crossing_Structural_Similarity": -0.0896454, "Placenta_Crossing_Weighted_Contribution": 0.0510285, "Placenta_Crossing_Top_Rank": -0.0816137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCOC4=CC=CC(=C4)C#N", "InChI_key": "NIIIAHQOCFDWKK-UHFFFAOYSA-N" } }, "CID:4521392": { "type": "Drug", "properties": { "id": "CID:4521392", "label": "sb-431542", "lsm": "LSM-3498", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4521392", "FDA_Category_D_L1000_Similarity": 1.3185, "FDA_Category_D_Structural_Similarity": 0.133805, "FDA_Category_D_Weighted_Contribution": 0.799122, "FDA_Category_D_Top_Rank": -0.0354948, "FDA_Category_X_L1000_Similarity": 0.467553, "FDA_Category_X_Structural_Similarity": -0.428043, "FDA_Category_X_Weighted_Contribution": -0.301209, "FDA_Category_X_Top_Rank": -0.0829204, "FDA_Category_D_and_X_L1000_Similarity": 1.27855, "FDA_Category_D_and_X_Structural_Similarity": -0.124767, "FDA_Category_D_and_X_Weighted_Contribution": 0.432669, "FDA_Category_D_and_X_Top_Rank": -0.0487211, "Placenta_Crossing_L1000_Similarity": 1.67872, "Placenta_Crossing_Structural_Similarity": -0.539504, "Placenta_Crossing_Weighted_Contribution": 0.157381, "Placenta_Crossing_Top_Rank": -0.0179881, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5", "InChI_key": "FHYUGAJXYORMHI-UHFFFAOYSA-N" } }, "CID:45281797": { "type": "Drug", "properties": { "id": "CID:45281797", "label": "vu-0365117-1", "lsm": "LSM-3472", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45281797", "FDA_Category_D_L1000_Similarity": -1.05567, "FDA_Category_D_Structural_Similarity": -0.621175, "FDA_Category_D_Weighted_Contribution": -1.04007, "FDA_Category_D_Top_Rank": -0.095234, "FDA_Category_X_L1000_Similarity": -0.165277, "FDA_Category_X_Structural_Similarity": -0.369981, "FDA_Category_X_Weighted_Contribution": -0.523574, "FDA_Category_X_Top_Rank": -0.0877228, "FDA_Category_D_and_X_L1000_Similarity": -0.960202, "FDA_Category_D_and_X_Structural_Similarity": -0.692675, "FDA_Category_D_and_X_Weighted_Contribution": -1.03052, "FDA_Category_D_and_X_Top_Rank": -0.0953791, "Placenta_Crossing_L1000_Similarity": -1.36611, "Placenta_Crossing_Structural_Similarity": -0.591475, "Placenta_Crossing_Weighted_Contribution": -1.06905, "Placenta_Crossing_Top_Rank": -0.0904876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O)C4=CSC=C4", "InChI_key": "RSEUVMGVNMLOCQ-UHFFFAOYSA-N" } }, "CID:457964": { "type": "Drug", "properties": { "id": "CID:457964", "label": "aphidicolin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/457964", "FDA_Category_D_L1000_Similarity": -0.0428497, "FDA_Category_D_Structural_Similarity": 0.938915, "FDA_Category_D_Weighted_Contribution": 0.807659, "FDA_Category_D_Top_Rank": -0.053543, "FDA_Category_X_L1000_Similarity": -2.28852, "FDA_Category_X_Structural_Similarity": -0.49719, "FDA_Category_X_Weighted_Contribution": -1.30039, "FDA_Category_X_Top_Rank": -0.0897764, "FDA_Category_D_and_X_L1000_Similarity": -0.731916, "FDA_Category_D_and_X_Structural_Similarity": 0.476948, "FDA_Category_D_and_X_Weighted_Contribution": -0.0733374, "FDA_Category_D_and_X_Top_Rank": -0.0746181, "Placenta_Crossing_L1000_Similarity": -2.25889, "Placenta_Crossing_Structural_Similarity": 0.945594, "Placenta_Crossing_Weighted_Contribution": -0.309555, "Placenta_Crossing_Top_Rank": -0.0525931, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4595": { "type": "Drug", "properties": { "id": "CID:4595", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4595", "label": "ondansetron", "FDA_Category_D_L1000_Similarity": 0.619463, "FDA_Category_D_Structural_Similarity": -0.356809, "FDA_Category_D_Weighted_Contribution": -0.107975, "FDA_Category_D_Top_Rank": -0.082051, "FDA_Category_X_L1000_Similarity": 1.54243, "FDA_Category_X_Structural_Similarity": -0.416119, "FDA_Category_X_Weighted_Contribution": 0.230653, "FDA_Category_X_Top_Rank": -0.0445176, "FDA_Category_D_and_X_L1000_Similarity": 1.00239, "FDA_Category_D_and_X_Structural_Similarity": -0.507741, "FDA_Category_D_and_X_Weighted_Contribution": -0.0846537, "FDA_Category_D_and_X_Top_Rank": -0.0689669, "Placenta_Crossing_L1000_Similarity": 1.85826, "Placenta_Crossing_Structural_Similarity": -0.223451, "Placenta_Crossing_Weighted_Contribution": 0.567533, "Placenta_Crossing_Top_Rank": 0.0108428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C", "InChI_key": "FELGMEQIXOGIFQ-UHFFFAOYSA-N" } }, "CID:46191176": { "type": "Drug", "properties": { "id": "CID:46191176", "label": "aminoresveratrol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46191176", "FDA_Category_D_L1000_Similarity": 0.30117, "FDA_Category_D_Structural_Similarity": -0.077171, "FDA_Category_D_Weighted_Contribution": -0.0215079, "FDA_Category_D_Top_Rank": -0.0869832, "FDA_Category_X_L1000_Similarity": -0.738227, "FDA_Category_X_Structural_Similarity": -0.0273539, "FDA_Category_X_Weighted_Contribution": -0.477105, "FDA_Category_X_Top_Rank": -0.0804404, "FDA_Category_D_and_X_L1000_Similarity": 0.0354288, "FDA_Category_D_and_X_Structural_Similarity": -0.0760117, "FDA_Category_D_and_X_Weighted_Contribution": -0.182948, "FDA_Category_D_and_X_Top_Rank": -0.0878409, "Placenta_Crossing_L1000_Similarity": 0.655494, "Placenta_Crossing_Structural_Similarity": 2.31176, "Placenta_Crossing_Weighted_Contribution": 2.5543, "Placenta_Crossing_Top_Rank": 0.0647695, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46199646": { "type": "Drug", "properties": { "id": "CID:46199646", "label": "tezacaftor", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46199646", "FDA_Category_D_L1000_Similarity": 1.42412, "FDA_Category_D_Structural_Similarity": 0.190741, "FDA_Category_D_Weighted_Contribution": 0.927611, "FDA_Category_D_Top_Rank": -0.0216796, "FDA_Category_X_L1000_Similarity": 3.09503, "FDA_Category_X_Structural_Similarity": 0.0903569, "FDA_Category_X_Weighted_Contribution": 1.65848, "FDA_Category_X_Top_Rank": 0.634361, "FDA_Category_D_and_X_L1000_Similarity": 2.16752, "FDA_Category_D_and_X_Structural_Similarity": 0.20015, "FDA_Category_D_and_X_Weighted_Contribution": 1.30031, "FDA_Category_D_and_X_Top_Rank": 0.189908, "Placenta_Crossing_L1000_Similarity": 1.10945, "Placenta_Crossing_Structural_Similarity": -0.71105, "Placenta_Crossing_Weighted_Contribution": -0.264998, "Placenta_Crossing_Top_Rank": -0.0662859, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F", "InChI_key": "MJUVRTYWUMPBTR-MRXNPFEDSA-N" } }, "CID:46233311": { "type": "Drug", "properties": { "id": "CID:46233311", "label": "gsk-0660", "lsm": "LSM-6014", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46233311", "FDA_Category_D_L1000_Similarity": 0.153941, "FDA_Category_D_Structural_Similarity": 1.24461, "FDA_Category_D_Weighted_Contribution": 1.26633, "FDA_Category_D_Top_Rank": -0.0377288, "FDA_Category_X_L1000_Similarity": -0.0382082, "FDA_Category_X_Structural_Similarity": -0.6157, "FDA_Category_X_Weighted_Contribution": -0.668644, "FDA_Category_X_Top_Rank": -0.0878376, "FDA_Category_D_and_X_L1000_Similarity": 0.121095, "FDA_Category_D_and_X_Structural_Similarity": 0.655638, "FDA_Category_D_and_X_Weighted_Contribution": 0.567177, "FDA_Category_D_and_X_Top_Rank": -0.0688858, "Placenta_Crossing_L1000_Similarity": 0.485244, "Placenta_Crossing_Structural_Similarity": -1.03631, "Placenta_Crossing_Weighted_Contribution": -0.762563, "Placenta_Crossing_Top_Rank": -0.0832263, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)NC2=CC=CC=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC", "InChI_key": "NDFKBGWLUHKMFY-UHFFFAOYSA-N" } }, "CID:4649": { "type": "Drug", "properties": { "id": "CID:4649", "label": "aminosalicylic acid", "lsm": "LSM-5862", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4649", "FDA_Category_D_L1000_Similarity": 0.168858, "FDA_Category_D_Structural_Similarity": -0.841617, "FDA_Category_D_Weighted_Contribution": -0.719627, "FDA_Category_D_Top_Rank": -0.0905332, "FDA_Category_X_L1000_Similarity": -0.201513, "FDA_Category_X_Structural_Similarity": -0.183204, "FDA_Category_X_Weighted_Contribution": -0.380712, "FDA_Category_X_Top_Rank": -0.0841999, "FDA_Category_D_and_X_L1000_Similarity": 0.084366, "FDA_Category_D_and_X_Structural_Similarity": -0.766859, "FDA_Category_D_and_X_Weighted_Contribution": -0.707464, "FDA_Category_D_and_X_Top_Rank": -0.0914528, "Placenta_Crossing_L1000_Similarity": 1.79104, "Placenta_Crossing_Structural_Similarity": -0.0161522, "Placenta_Crossing_Weighted_Contribution": 0.749528, "Placenta_Crossing_Top_Rank": -0.00146068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1N)O)C(=O)O", "InChI_key": "WUBBRNOQWQTFEX-UHFFFAOYSA-N" } }, "CID:4680": { "type": "Drug", "properties": { "id": "CID:4680", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4680", "label": "papaverine", "FDA_Category_D_L1000_Similarity": -0.507118, "FDA_Category_D_Structural_Similarity": -0.868422, "FDA_Category_D_Weighted_Contribution": -0.996588, "FDA_Category_D_Top_Rank": -0.0951605, "FDA_Category_X_L1000_Similarity": 0.333041, "FDA_Category_X_Structural_Similarity": -0.565752, "FDA_Category_X_Weighted_Contribution": -0.479059, "FDA_Category_X_Top_Rank": -0.0845739, "FDA_Category_D_and_X_L1000_Similarity": -0.336005, "FDA_Category_D_and_X_Structural_Similarity": -0.994556, "FDA_Category_D_and_X_Weighted_Contribution": -1.00314, "FDA_Category_D_and_X_Top_Rank": -0.0944035, "Placenta_Crossing_L1000_Similarity": 0.594049, "Placenta_Crossing_Structural_Similarity": -0.921802, "Placenta_Crossing_Weighted_Contribution": -0.641998, "Placenta_Crossing_Top_Rank": -0.0811199, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC", "InChI_key": "XQYZDYMELSJDRZ-UHFFFAOYSA-N" } }, "CID:46869952": { "type": "Drug", "properties": { "id": "CID:46869952", "label": "vu-0404997-2", "lsm": "LSM-1470", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46869952", "FDA_Category_D_L1000_Similarity": 0.00822231, "FDA_Category_D_Structural_Similarity": -0.222245, "FDA_Category_D_Weighted_Contribution": -0.30625, "FDA_Category_D_Top_Rank": -0.0899671, "FDA_Category_X_L1000_Similarity": -1.11277, "FDA_Category_X_Structural_Similarity": -0.405331, "FDA_Category_X_Weighted_Contribution": -0.905094, "FDA_Category_X_Top_Rank": -0.088291, "FDA_Category_D_and_X_L1000_Similarity": -0.330838, "FDA_Category_D_and_X_Structural_Similarity": -0.395114, "FDA_Category_D_and_X_Weighted_Contribution": -0.607392, "FDA_Category_D_and_X_Top_Rank": -0.0929074, "Placenta_Crossing_L1000_Similarity": -0.566469, "Placenta_Crossing_Structural_Similarity": 1.34336, "Placenta_Crossing_Weighted_Contribution": 0.924082, "Placenta_Crossing_Top_Rank": -0.0303012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC(=O)N(C1=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)C4=CC=CC=C4", "InChI_key": "VVBFAZRDUJRAAU-UHFFFAOYSA-N" } }, "CID:46926575": { "type": "Drug", "properties": { "id": "CID:46926575", "label": "mw-a1-14", "lsm": "LSM-2695", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46926575", "FDA_Category_D_L1000_Similarity": 0.627294, "FDA_Category_D_Structural_Similarity": -0.885499, "FDA_Category_D_Weighted_Contribution": -0.552253, "FDA_Category_D_Top_Rank": -0.0818872, "FDA_Category_X_L1000_Similarity": -1.21446, "FDA_Category_X_Structural_Similarity": -0.724438, "FDA_Category_X_Weighted_Contribution": -1.13555, "FDA_Category_X_Top_Rank": -0.0915608, "FDA_Category_D_and_X_L1000_Similarity": 0.171928, "FDA_Category_D_and_X_Structural_Similarity": -1.09374, "FDA_Category_D_and_X_Weighted_Contribution": -0.891659, "FDA_Category_D_and_X_Top_Rank": -0.0905798, "Placenta_Crossing_L1000_Similarity": 0.616369, "Placenta_Crossing_Structural_Similarity": -0.935619, "Placenta_Crossing_Weighted_Contribution": -0.643827, "Placenta_Crossing_Top_Rank": -0.0806998, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)SC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]", "InChI_key": "ADSOEWOILXZRRA-UHFFFAOYSA-N" } }, "CID:4707": { "type": "Drug", "properties": { "id": "CID:4707", "label": "pd-158780", "lsm": "LSM-3069", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4707", "FDA_Category_D_L1000_Similarity": -1.59574, "FDA_Category_D_Structural_Similarity": -0.188365, "FDA_Category_D_Weighted_Contribution": -0.9709, "FDA_Category_D_Top_Rank": -0.0892477, "FDA_Category_X_L1000_Similarity": 0.104882, "FDA_Category_X_Structural_Similarity": 1.13442, "FDA_Category_X_Weighted_Contribution": 1.14375, "FDA_Category_X_Top_Rank": -0.034131, "FDA_Category_D_and_X_L1000_Similarity": -1.34371, "FDA_Category_D_and_X_Structural_Similarity": 0.462618, "FDA_Category_D_and_X_Weighted_Contribution": -0.381711, "FDA_Category_D_and_X_Top_Rank": -0.0751158, "Placenta_Crossing_L1000_Similarity": -1.19577, "Placenta_Crossing_Structural_Similarity": 0.248637, "Placenta_Crossing_Weighted_Contribution": -0.439907, "Placenta_Crossing_Top_Rank": -0.0766235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br", "InChI_key": "KFHMLBXBRCITHF-UHFFFAOYSA-N" } }, "CID:47318": { "type": "Drug", "properties": { "id": "CID:47318", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID47318", "label": "oltipraz", "FDA_Category_D_L1000_Similarity": 0.000104272, "FDA_Category_D_Structural_Similarity": -0.930114, "FDA_Category_D_Weighted_Contribution": -0.848453, "FDA_Category_D_Top_Rank": -0.0921635, "FDA_Category_X_L1000_Similarity": 0.886884, "FDA_Category_X_Structural_Similarity": -0.763581, "FDA_Category_X_Weighted_Contribution": -0.411663, "FDA_Category_X_Top_Rank": -0.0748221, "FDA_Category_D_and_X_L1000_Similarity": 0.269423, "FDA_Category_D_and_X_Structural_Similarity": -1.15027, "FDA_Category_D_and_X_Weighted_Contribution": -0.892834, "FDA_Category_D_and_X_Top_Rank": -0.0893915, "Placenta_Crossing_L1000_Similarity": 0.456598, "Placenta_Crossing_Structural_Similarity": -1.11089, "Placenta_Crossing_Weighted_Contribution": -0.822695, "Placenta_Crossing_Top_Rank": -0.0836518, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SSC1=S)C2=NC=CN=C2", "InChI_key": "CKNAQFVBEHDJQV-UHFFFAOYSA-N" } }, "CID:4735": { "type": "Drug", "properties": { "id": "CID:4735", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4735", "label": "pentamidine", "FDA_Category_D_L1000_Similarity": 0.417288, "FDA_Category_D_Structural_Similarity": 1.99927, "FDA_Category_D_Weighted_Contribution": 2.22867, "FDA_Category_D_Top_Rank": 0.0467996, "FDA_Category_X_L1000_Similarity": -0.761881, "FDA_Category_X_Structural_Similarity": -0.541222, "FDA_Category_X_Weighted_Contribution": -0.878076, "FDA_Category_X_Top_Rank": -0.0903628, "FDA_Category_D_and_X_L1000_Similarity": 0.128341, "FDA_Category_D_and_X_Structural_Similarity": 1.29481, "FDA_Category_D_and_X_Weighted_Contribution": 1.24845, "FDA_Category_D_and_X_Top_Rank": -0.0321562, "Placenta_Crossing_L1000_Similarity": 0.312774, "Placenta_Crossing_Structural_Similarity": -0.682538, "Placenta_Crossing_Weighted_Contribution": -0.569836, "Placenta_Crossing_Top_Rank": -0.085516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N", "InChI_key": "XDRYMKDFEDOLFX-UHFFFAOYSA-N" } }, "CID:4746": { "type": "Drug", "properties": { "id": "CID:4746", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4746", "label": "perhexiline", "FDA_Category_D_L1000_Similarity": -2.68494, "FDA_Category_D_Structural_Similarity": 0.850296, "FDA_Category_D_Weighted_Contribution": -0.704738, "FDA_Category_D_Top_Rank": -0.0586516, "FDA_Category_X_L1000_Similarity": 2.12966, "FDA_Category_X_Structural_Similarity": 0.631103, "FDA_Category_X_Weighted_Contribution": 1.72342, "FDA_Category_X_Top_Rank": 0.0358459, "FDA_Category_D_and_X_L1000_Similarity": -1.66772, "FDA_Category_D_and_X_Structural_Similarity": 1.01543, "FDA_Category_D_and_X_Weighted_Contribution": -0.0606991, "FDA_Category_D_and_X_Top_Rank": -0.0521854, "Placenta_Crossing_L1000_Similarity": -1.85752, "Placenta_Crossing_Structural_Similarity": 3.66051, "Placenta_Crossing_Weighted_Contribution": 2.61975, "Placenta_Crossing_Top_Rank": 0.398442, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3", "InChI_key": "CYXKNKQEMFBLER-UHFFFAOYSA-N" } }, "CID:476": { "type": "Drug", "properties": { "id": "CID:476", "label": "mevalonic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/476", "FDA_Category_D_L1000_Similarity": -0.0432854, "FDA_Category_D_Structural_Similarity": 1.15506, "FDA_Category_D_Weighted_Contribution": 1.04199, "FDA_Category_D_Top_Rank": -0.0427492, "FDA_Category_X_L1000_Similarity": 1.63428, "FDA_Category_X_Structural_Similarity": -0.361966, "FDA_Category_X_Weighted_Contribution": 0.335073, "FDA_Category_X_Top_Rank": -0.037003, "FDA_Category_D_and_X_L1000_Similarity": 0.458993, "FDA_Category_D_and_X_Structural_Similarity": 0.72147, "FDA_Category_D_and_X_Weighted_Contribution": 0.834209, "FDA_Category_D_and_X_Top_Rank": -0.0666332, "Placenta_Crossing_L1000_Similarity": 0.784786, "Placenta_Crossing_Structural_Similarity": 0.343908, "Placenta_Crossing_Weighted_Contribution": 0.59126, "Placenta_Crossing_Top_Rank": -0.07399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4760": { "type": "Drug", "properties": { "id": "CID:4760", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4760", "label": "phenindione", "FDA_Category_D_L1000_Similarity": 1.51281, "FDA_Category_D_Structural_Similarity": 0.0304194, "FDA_Category_D_Weighted_Contribution": 0.810326, "FDA_Category_D_Top_Rank": -0.00580339, "FDA_Category_X_L1000_Similarity": 0.78996, "FDA_Category_X_Structural_Similarity": -0.730137, "FDA_Category_X_Weighted_Contribution": -0.424595, "FDA_Category_X_Top_Rank": -0.0771502, "FDA_Category_D_and_X_L1000_Similarity": 1.54397, "FDA_Category_D_and_X_Structural_Similarity": -0.369835, "FDA_Category_D_and_X_Weighted_Contribution": 0.335944, "FDA_Category_D_and_X_Top_Rank": -0.0168293, "Placenta_Crossing_L1000_Similarity": 1.1275, "Placenta_Crossing_Structural_Similarity": -0.14344, "Placenta_Crossing_Weighted_Contribution": 0.271653, "Placenta_Crossing_Top_Rank": -0.0655092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O", "InChI_key": "NFBAXHOPROOJAW-UHFFFAOYSA-N" } }, "CID:4780": { "type": "Drug", "properties": { "id": "CID:4780", "label": "1-phenylbiguanide", "lsm": "LSM-4586", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4780", "FDA_Category_D_L1000_Similarity": 0.0851765, "FDA_Category_D_Structural_Similarity": -0.813718, "FDA_Category_D_Weighted_Contribution": -0.73463, "FDA_Category_D_Top_Rank": -0.0914577, "FDA_Category_X_L1000_Similarity": 0.502082, "FDA_Category_X_Structural_Similarity": -0.259559, "FDA_Category_X_Weighted_Contribution": -0.13005, "FDA_Category_X_Top_Rank": -0.0824778, "FDA_Category_D_and_X_L1000_Similarity": 0.225899, "FDA_Category_D_and_X_Structural_Similarity": -0.785916, "FDA_Category_D_and_X_Weighted_Contribution": -0.664713, "FDA_Category_D_and_X_Top_Rank": -0.0899038, "Placenta_Crossing_L1000_Similarity": 1.03323, "Placenta_Crossing_Structural_Similarity": -0.0609146, "Placenta_Crossing_Weighted_Contribution": 0.306216, "Placenta_Crossing_Top_Rank": -0.0693545, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N=C(N)N=C(N)N", "InChI_key": "CUQCMXFWIMOWRP-UHFFFAOYSA-N" } }, "CID:4784": { "type": "Drug", "properties": { "id": "CID:4784", "label": "PMSF", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4784", "FDA_Category_D_L1000_Similarity": 0.374829, "FDA_Category_D_Structural_Similarity": -0.928626, "FDA_Category_D_Weighted_Contribution": -0.695479, "FDA_Category_D_Top_Rank": -0.0875991, "FDA_Category_X_L1000_Similarity": -1.32056, "FDA_Category_X_Structural_Similarity": -0.733452, "FDA_Category_X_Weighted_Contribution": -1.17056, "FDA_Category_X_Top_Rank": -0.0916737, "FDA_Category_D_and_X_L1000_Similarity": -0.0779177, "FDA_Category_D_and_X_Structural_Similarity": -1.13283, "FDA_Category_D_and_X_Weighted_Contribution": -0.999446, "FDA_Category_D_and_X_Top_Rank": -0.0928226, "Placenta_Crossing_L1000_Similarity": -0.197704, "Placenta_Crossing_Structural_Similarity": -1.08444, "Placenta_Crossing_Weighted_Contribution": -1.01244, "Placenta_Crossing_Top_Rank": -0.0895784, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4817": { "type": "Drug", "properties": { "id": "CID:4817", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4817", "label": "pifithrin-alpha", "FDA_Category_D_L1000_Similarity": 0.851376, "FDA_Category_D_Structural_Similarity": -0.895951, "FDA_Category_D_Weighted_Contribution": -0.456437, "FDA_Category_D_Top_Rank": -0.0737739, "FDA_Category_X_L1000_Similarity": 1.00686, "FDA_Category_X_Structural_Similarity": 0.33284, "FDA_Category_X_Weighted_Contribution": 0.74847, "FDA_Category_X_Top_Rank": -0.0683643, "FDA_Category_D_and_X_L1000_Similarity": 1.03967, "FDA_Category_D_and_X_Structural_Similarity": -0.531529, "FDA_Category_D_and_X_Weighted_Contribution": -0.087266, "FDA_Category_D_and_X_Top_Rank": -0.066587, "Placenta_Crossing_L1000_Similarity": 1.67238, "Placenta_Crossing_Structural_Similarity": 0.00168368, "Placenta_Crossing_Weighted_Contribution": 0.704702, "Placenta_Crossing_Top_Rank": -0.0191627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N", "InChI_key": "OLTZHXYLLRJLST-UHFFFAOYSA-N" } }, "CID:4828": { "type": "Drug", "properties": { "id": "CID:4828", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4828", "label": "pindolol", "FDA_Category_D_L1000_Similarity": 0.972317, "FDA_Category_D_Structural_Similarity": -0.439655, "FDA_Category_D_Weighted_Contribution": 0.00725045, "FDA_Category_D_Top_Rank": -0.0667875, "FDA_Category_X_L1000_Similarity": 1.79976, "FDA_Category_X_Structural_Similarity": -0.264018, "FDA_Category_X_Weighted_Contribution": 0.528411, "FDA_Category_X_Top_Rank": -0.0190793, "FDA_Category_D_and_X_L1000_Similarity": 1.3847, "FDA_Category_D_and_X_Structural_Similarity": -0.491423, "FDA_Category_D_and_X_Weighted_Contribution": 0.129977, "FDA_Category_D_and_X_Top_Rank": -0.0386727, "Placenta_Crossing_L1000_Similarity": 2.09725, "Placenta_Crossing_Structural_Similarity": 0.904878, "Placenta_Crossing_Weighted_Contribution": 1.89963, "Placenta_Crossing_Top_Rank": 0.074119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O", "InChI_key": "JZQKKSLKJUAGIC-UHFFFAOYSA-N" } }, "CID:4829": { "type": "Drug", "properties": { "id": "CID:4829", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4829", "label": "pioglitazone", "FDA_Category_D_L1000_Similarity": 1.19206, "FDA_Category_D_Structural_Similarity": -0.159971, "FDA_Category_D_Weighted_Contribution": 0.411145, "FDA_Category_D_Top_Rank": -0.0497639, "FDA_Category_X_L1000_Similarity": -0.864964, "FDA_Category_X_Structural_Similarity": 0.514078, "FDA_Category_X_Weighted_Contribution": -0.0442881, "FDA_Category_X_Top_Rank": -0.0615419, "FDA_Category_D_and_X_L1000_Similarity": 0.764896, "FDA_Category_D_and_X_Structural_Similarity": 0.150423, "FDA_Category_D_and_X_Weighted_Contribution": 0.419775, "FDA_Category_D_and_X_Top_Rank": -0.0790186, "Placenta_Crossing_L1000_Similarity": 0.634513, "Placenta_Crossing_Structural_Similarity": -0.226505, "Placenta_Crossing_Weighted_Contribution": -0.0477, "Placenta_Crossing_Top_Rank": -0.0802888, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3", "InChI_key": "HYAFETHFCAUJAY-UHFFFAOYSA-N" } }, "CID:4886": { "type": "Drug", "properties": { "id": "CID:4886", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4886", "label": "pramocaine", "FDA_Category_D_L1000_Similarity": -0.521468, "FDA_Category_D_Structural_Similarity": -0.0345307, "FDA_Category_D_Weighted_Contribution": -0.409402, "FDA_Category_D_Top_Rank": -0.0859183, "FDA_Category_X_L1000_Similarity": -0.226592, "FDA_Category_X_Structural_Similarity": 0.18865, "FDA_Category_X_Weighted_Contribution": -0.0500816, "FDA_Category_X_Top_Rank": -0.0737251, "FDA_Category_D_and_X_L1000_Similarity": -0.518325, "FDA_Category_D_and_X_Structural_Similarity": 0.0743872, "FDA_Category_D_and_X_Weighted_Contribution": -0.320134, "FDA_Category_D_and_X_Top_Rank": -0.0847278, "Placenta_Crossing_L1000_Similarity": 0.297027, "Placenta_Crossing_Structural_Similarity": 0.826026, "Placenta_Crossing_Weighted_Contribution": 0.839199, "Placenta_Crossing_Top_Rank": -0.0585991, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2", "InChI_key": "DQKXQSGTHWVTAD-UHFFFAOYSA-N" } }, "CID:492405": { "type": "Drug", "properties": { "id": "CID:492405", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID492405", "label": "favipiravir", "FDA_Category_D_L1000_Similarity": 0.557234, "FDA_Category_D_Structural_Similarity": -0.408038, "FDA_Category_D_Weighted_Contribution": -0.187315, "FDA_Category_D_Top_Rank": -0.0837775, "FDA_Category_X_L1000_Similarity": 0.764671, "FDA_Category_X_Structural_Similarity": -0.589522, "FDA_Category_X_Weighted_Contribution": -0.312658, "FDA_Category_X_Top_Rank": -0.0778454, "FDA_Category_D_and_X_L1000_Similarity": 0.712553, "FDA_Category_D_and_X_Structural_Similarity": -0.641969, "FDA_Category_D_and_X_Weighted_Contribution": -0.342107, "FDA_Category_D_and_X_Top_Rank": -0.0808995, "Placenta_Crossing_L1000_Similarity": 1.17814, "Placenta_Crossing_Structural_Similarity": 0.48557, "Placenta_Crossing_Weighted_Contribution": 0.953373, "Placenta_Crossing_Top_Rank": -0.0627727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(N=C(C(=O)N1)C(=O)N)F", "InChI_key": "ZCGNOVWYSGBHAU-UHFFFAOYSA-N" } }, "CID:4943": { "type": "Drug", "properties": { "id": "CID:4943", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4943", "label": "propofol", "ref": "LSM-3847", "FDA_Category_D_L1000_Similarity": 0.330419, "FDA_Category_D_Structural_Similarity": 0.481426, "FDA_Category_D_Weighted_Contribution": 0.553337, "FDA_Category_D_Top_Rank": -0.0716838, "FDA_Category_X_L1000_Similarity": 1.37131, "FDA_Category_X_Structural_Similarity": -0.705093, "FDA_Category_X_Weighted_Contribution": -0.140032, "FDA_Category_X_Top_Rank": -0.0549518, "FDA_Category_D_and_X_L1000_Similarity": 0.701269, "FDA_Category_D_and_X_Structural_Similarity": 0.00164851, "FDA_Category_D_and_X_Weighted_Contribution": 0.236316, "FDA_Category_D_and_X_Top_Rank": -0.0811777, "Placenta_Crossing_L1000_Similarity": 1.35794, "Placenta_Crossing_Structural_Similarity": -1.05104, "Placenta_Crossing_Weighted_Contribution": -0.443261, "Placenta_Crossing_Top_Rank": -0.0518871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C)C1=C(C(=CC=C1)C(C)C)O", "InChI_key": "OLBCVFGFOZPWHH-UHFFFAOYSA-N" } }, "CID:49835860": { "type": "Drug", "properties": { "id": "CID:49835860", "label": "st-4062971", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49835860", "FDA_Category_D_L1000_Similarity": -0.434339, "FDA_Category_D_Structural_Similarity": -0.857519, "FDA_Category_D_Weighted_Contribution": -0.964219, "FDA_Category_D_Top_Rank": -0.0948644, "FDA_Category_X_L1000_Similarity": -2.62818, "FDA_Category_X_Structural_Similarity": -0.618261, "FDA_Category_X_Weighted_Contribution": -1.43345, "FDA_Category_X_Top_Rank": -0.0912634, "FDA_Category_D_and_X_L1000_Similarity": -1.17254, "FDA_Category_D_and_X_Structural_Similarity": -1.01424, "FDA_Category_D_and_X_Weighted_Contribution": -1.25481, "FDA_Category_D_and_X_Top_Rank": -0.0964135, "Placenta_Crossing_L1000_Similarity": -1.74052, "Placenta_Crossing_Structural_Similarity": -0.990937, "Placenta_Crossing_Weighted_Contribution": -1.35337, "Placenta_Crossing_Top_Rank": -0.0923096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)[N+]2=C(C3=C(N2O)C=C(C=C3)[N+](=O)[O-])C#N", "InChI_key": "AZMVVBDUDPIZOY-UHFFFAOYSA-N" } }, "CID:49867930": { "type": "Drug", "properties": { "id": "CID:49867930", "label": "rg-4733", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49867930", "FDA_Category_D_L1000_Similarity": -0.546231, "FDA_Category_D_Structural_Similarity": -0.620273, "FDA_Category_D_Weighted_Contribution": -0.855112, "FDA_Category_D_Top_Rank": -0.0952253, "FDA_Category_X_L1000_Similarity": 2.26019, "FDA_Category_X_Structural_Similarity": -0.672316, "FDA_Category_X_Weighted_Contribution": 0.338081, "FDA_Category_X_Top_Rank": 0.0657604, "FDA_Category_D_and_X_L1000_Similarity": 0.215516, "FDA_Category_D_and_X_Structural_Similarity": -0.855098, "FDA_Category_D_and_X_Weighted_Contribution": -0.717752, "FDA_Category_D_and_X_Top_Rank": -0.0900171, "Placenta_Crossing_L1000_Similarity": 0.583311, "Placenta_Crossing_Structural_Similarity": 0.0747964, "Placenta_Crossing_Weighted_Contribution": 0.214553, "Placenta_Crossing_Top_Rank": -0.0806538, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)NC1C2=CC=CC=C2C3=CC=CC=C3NC1=O", "InChI_key": "OJPLJFIFUQPSJR-INIZCTEOSA-N" } }, "CID:49871818": { "type": "Drug", "properties": { "id": "CID:49871818", "label": "JQ-1-R", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49871818", "FDA_Category_D_L1000_Similarity": 1.09067, "FDA_Category_X_L1000_Similarity": 0.673502, "FDA_Category_D_and_X_L1000_Similarity": 1.14471, "Placenta_Crossing_L1000_Similarity": 2.1019, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5002": { "type": "Drug", "properties": { "id": "CID:5002", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5002", "label": "quetiapine", "FDA_Category_D_L1000_Similarity": 2.44449, "FDA_Category_D_Structural_Similarity": -0.377943, "FDA_Category_D_Weighted_Contribution": 0.958945, "FDA_Category_D_Top_Rank": 0.780309, "FDA_Category_X_L1000_Similarity": 3.12108, "FDA_Category_X_Structural_Similarity": 0.113949, "FDA_Category_X_Weighted_Contribution": 1.69976, "FDA_Category_X_Top_Rank": 0.776101, "FDA_Category_D_and_X_L1000_Similarity": 3.05499, "FDA_Category_D_and_X_Structural_Similarity": -0.238492, "FDA_Category_D_and_X_Weighted_Contribution": 1.36324, "FDA_Category_D_and_X_Top_Rank": 2.02356, "Placenta_Crossing_L1000_Similarity": 2.84059, "Placenta_Crossing_Structural_Similarity": 0.0344143, "Placenta_Crossing_Weighted_Contribution": 1.37686, "Placenta_Crossing_Top_Rank": 0.664318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42", "InChI_key": "URKOMYMAXPYINW-UHFFFAOYSA-N" } }, "CID:5011": { "type": "Drug", "properties": { "id": "CID:5011", "label": "quipazine", "lsm": "LSM-3379", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5011", "FDA_Category_D_L1000_Similarity": 0.745352, "FDA_Category_D_Structural_Similarity": -0.018443, "FDA_Category_D_Weighted_Contribution": 0.288962, "FDA_Category_D_Top_Rank": -0.0780009, "FDA_Category_X_L1000_Similarity": 0.247681, "FDA_Category_X_Structural_Similarity": 0.323092, "FDA_Category_X_Weighted_Contribution": 0.325808, "FDA_Category_X_Top_Rank": -0.0687944, "FDA_Category_D_and_X_L1000_Similarity": 0.717728, "FDA_Category_D_and_X_Structural_Similarity": 0.159701, "FDA_Category_D_and_X_Weighted_Contribution": 0.402456, "FDA_Category_D_and_X_Top_Rank": -0.08071, "Placenta_Crossing_L1000_Similarity": 1.23608, "Placenta_Crossing_Structural_Similarity": -0.161088, "Placenta_Crossing_Weighted_Contribution": 0.30895, "Placenta_Crossing_Top_Rank": -0.0598961, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=NC3=CC=CC=C3C=C2", "InChI_key": "XRXDAJYKGWNHTQ-UHFFFAOYSA-N" } }, "CID:50287": { "type": "Drug", "properties": { "id": "CID:50287", "label": "tiotidine", "lsm": "LSM-2226", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50287", "FDA_Category_D_L1000_Similarity": 0.550113, "FDA_Category_D_Structural_Similarity": -0.289712, "FDA_Category_D_Weighted_Contribution": -0.0836278, "FDA_Category_D_Top_Rank": -0.0839584, "FDA_Category_X_L1000_Similarity": 0.614982, "FDA_Category_X_Structural_Similarity": -0.395125, "FDA_Category_X_Weighted_Contribution": -0.204036, "FDA_Category_X_Top_Rank": -0.0807901, "FDA_Category_D_and_X_L1000_Similarity": 0.660968, "FDA_Category_D_and_X_Structural_Similarity": -0.443156, "FDA_Category_D_and_X_Weighted_Contribution": -0.197382, "FDA_Category_D_and_X_Top_Rank": -0.0821409, "Placenta_Crossing_L1000_Similarity": 0.856691, "Placenta_Crossing_Structural_Similarity": 0.877399, "Placenta_Crossing_Weighted_Contribution": 1.20026, "Placenta_Crossing_Top_Rank": -0.0562532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N", "InChI_key": "YDDXVAXDYKBWDX-UHFFFAOYSA-N" } }, "CID:5032": { "type": "Drug", "properties": { "id": "CID:5032", "label": "racephedrine", "lsm": "LSM-1633", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5032", "FDA_Category_D_L1000_Similarity": -0.501486, "FDA_Category_X_L1000_Similarity": 1.11702, "FDA_Category_D_and_X_L1000_Similarity": -0.0930738, "Placenta_Crossing_L1000_Similarity": 0.558965, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1=CC=CC=C1)O)NC", "InChI_key": "KWGRBVOPPLSCSI-UHFFFAOYSA-N" } }, "CID:5081": { "type": "Drug", "properties": { "id": "CID:5081", "label": "ro-15-4513", "lsm": "LSM-3861", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5081", "FDA_Category_D_L1000_Similarity": 1.06823, "FDA_Category_D_Structural_Similarity": -0.555323, "FDA_Category_D_Weighted_Contribution": -0.0485981, "FDA_Category_D_Top_Rank": -0.0607212, "FDA_Category_X_L1000_Similarity": 0.583866, "FDA_Category_X_Structural_Similarity": -0.634845, "FDA_Category_X_Weighted_Contribution": -0.431301, "FDA_Category_X_Top_Rank": -0.0812456, "FDA_Category_D_and_X_L1000_Similarity": 1.09814, "FDA_Category_D_and_X_Structural_Similarity": -0.783327, "FDA_Category_D_and_X_Weighted_Contribution": -0.27931, "FDA_Category_D_and_X_Top_Rank": -0.062806, "Placenta_Crossing_L1000_Similarity": 1.37486, "Placenta_Crossing_Structural_Similarity": -0.652129, "Placenta_Crossing_Weighted_Contribution": -0.0935224, "Placenta_Crossing_Top_Rank": -0.0505346, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C", "InChI_key": "CFSOJZTUTOQNIA-UHFFFAOYSA-N" } }, "CID:50905713": { "type": "Drug", "properties": { "id": "CID:50905713", "label": "duvelisib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50905713", "FDA_Category_D_L1000_Similarity": -0.76922, "FDA_Category_D_Structural_Similarity": 1.33713, "FDA_Category_D_Weighted_Contribution": 0.778454, "FDA_Category_D_Top_Rank": -0.0317092, "FDA_Category_X_L1000_Similarity": 1.08304, "FDA_Category_X_Structural_Similarity": -0.472225, "FDA_Category_X_Weighted_Contribution": -0.0554271, "FDA_Category_X_Top_Rank": -0.0686683, "FDA_Category_D_and_X_L1000_Similarity": -0.33418, "FDA_Category_D_and_X_Structural_Similarity": 0.806486, "FDA_Category_D_and_X_Weighted_Contribution": 0.460276, "FDA_Category_D_and_X_Top_Rank": -0.0629465, "Placenta_Crossing_L1000_Similarity": 0.604561, "Placenta_Crossing_Structural_Similarity": -0.230227, "Placenta_Crossing_Weighted_Contribution": -0.0650934, "Placenta_Crossing_Top_Rank": -0.0809208, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5", "InChI_key": "SJVQHLPISAIATJ-ZDUSSCGKSA-N" } }, "CID:5190": { "type": "Drug", "properties": { "id": "CID:5190", "label": "DPI-201106", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5190", "FDA_Category_D_L1000_Similarity": 0.923053, "FDA_Category_D_Structural_Similarity": -0.0558344, "FDA_Category_D_Weighted_Contribution": 0.35649, "FDA_Category_D_Top_Rank": -0.0700535, "FDA_Category_X_L1000_Similarity": 2.17146, "FDA_Category_X_Structural_Similarity": 0.283907, "FDA_Category_X_Weighted_Contribution": 1.35325, "FDA_Category_X_Top_Rank": 0.0446489, "FDA_Category_D_and_X_L1000_Similarity": 1.45512, "FDA_Category_D_and_X_Structural_Similarity": 0.108879, "FDA_Category_D_and_X_Weighted_Contribution": 0.776967, "FDA_Category_D_and_X_Top_Rank": -0.0293353, "Placenta_Crossing_L1000_Similarity": 0.130694, "Placenta_Crossing_Structural_Similarity": -0.48141, "Placenta_Crossing_Weighted_Contribution": -0.485497, "Placenta_Crossing_Top_Rank": -0.0872687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5268": { "type": "Drug", "properties": { "id": "CID:5268", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5268", "label": "spiroxatrine", "FDA_Category_D_L1000_Similarity": 0.404472, "FDA_Category_D_Structural_Similarity": -0.967238, "FDA_Category_D_Weighted_Contribution": -0.710788, "FDA_Category_D_Top_Rank": -0.0871361, "FDA_Category_X_L1000_Similarity": 1.29977, "FDA_Category_X_Structural_Similarity": -0.581369, "FDA_Category_X_Weighted_Contribution": -0.0560937, "FDA_Category_X_Top_Rank": -0.0592251, "FDA_Category_D_and_X_L1000_Similarity": 0.743378, "FDA_Category_D_and_X_Structural_Similarity": -1.08141, "FDA_Category_D_and_X_Weighted_Contribution": -0.668595, "FDA_Category_D_and_X_Top_Rank": -0.0798343, "Placenta_Crossing_L1000_Similarity": 0.67704, "Placenta_Crossing_Structural_Similarity": -1.00268, "Placenta_Crossing_Weighted_Contribution": -0.670248, "Placenta_Crossing_Top_Rank": -0.0794461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4", "InChI_key": "JVGBTTIJPBFLTE-UHFFFAOYSA-N" } }, "CID:5278396": { "type": "Drug", "properties": { "id": "CID:5278396", "label": "ku-55933", "lsm": "LSM-1074", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5278396", "FDA_Category_D_L1000_Similarity": 1.05763, "FDA_Category_D_Structural_Similarity": -0.55538, "FDA_Category_D_Weighted_Contribution": -0.0544285, "FDA_Category_D_Top_Rank": -0.0616405, "FDA_Category_X_L1000_Similarity": 1.87393, "FDA_Category_X_Structural_Similarity": -0.577735, "FDA_Category_X_Weighted_Contribution": 0.235058, "FDA_Category_X_Top_Rank": -0.00998741, "FDA_Category_D_and_X_L1000_Similarity": 1.48078, "FDA_Category_D_and_X_Structural_Similarity": -0.752556, "FDA_Category_D_and_X_Weighted_Contribution": -0.0634706, "FDA_Category_D_and_X_Top_Rank": -0.0261778, "Placenta_Crossing_L1000_Similarity": 1.39249, "Placenta_Crossing_Structural_Similarity": -1.05343, "Placenta_Crossing_Weighted_Contribution": -0.431051, "Placenta_Crossing_Top_Rank": -0.0492347, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4", "InChI_key": "XRKYMMUGXMWDAO-UHFFFAOYSA-N" } }, "CID:5280360": { "type": "Drug", "properties": { "id": "CID:5280360", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280360", "label": "dinoprostone", "FDA_Category_D_L1000_Similarity": -0.313676, "FDA_Category_D_Structural_Similarity": -0.514321, "FDA_Category_D_Weighted_Contribution": -0.687413, "FDA_Category_D_Top_Rank": -0.0942562, "FDA_Category_X_L1000_Similarity": 0.343861, "FDA_Category_X_Structural_Similarity": 3.11623, "FDA_Category_X_Weighted_Contribution": 3.26764, "FDA_Category_X_Top_Rank": 0.24721, "FDA_Category_D_and_X_L1000_Similarity": -0.165962, "FDA_Category_D_and_X_Structural_Similarity": 1.27328, "FDA_Category_D_and_X_Weighted_Contribution": 1.04873, "FDA_Category_D_and_X_Top_Rank": -0.0341135, "Placenta_Crossing_L1000_Similarity": 0.403392, "Placenta_Crossing_Structural_Similarity": -0.29397, "Placenta_Crossing_Weighted_Contribution": -0.213824, "Placenta_Crossing_Top_Rank": -0.084442, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O", "InChI_key": "XEYBRNLFEZDVAW-ARSRFYASSA-N" } }, "CID:5280378": { "type": "Drug", "properties": { "id": "CID:5280378", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280378", "label": "formononetin", "FDA_Category_D_L1000_Similarity": 1.13826, "FDA_Category_D_Structural_Similarity": -0.855777, "FDA_Category_D_Weighted_Contribution": -0.281926, "FDA_Category_D_Top_Rank": -0.0546319, "FDA_Category_X_L1000_Similarity": 1.23885, "FDA_Category_X_Structural_Similarity": -0.595355, "FDA_Category_X_Weighted_Contribution": -0.0987946, "FDA_Category_X_Top_Rank": -0.0623789, "FDA_Category_D_and_X_L1000_Similarity": 1.35741, "FDA_Category_D_and_X_Structural_Similarity": -1.00049, "FDA_Category_D_and_X_Weighted_Contribution": -0.339646, "FDA_Category_D_and_X_Top_Rank": -0.0418295, "Placenta_Crossing_L1000_Similarity": 0.636705, "Placenta_Crossing_Structural_Similarity": -0.569741, "Placenta_Crossing_Weighted_Contribution": -0.348595, "Placenta_Crossing_Top_Rank": -0.0802406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O", "InChI_key": "HKQYGTCOTHHOMP-UHFFFAOYSA-N" } }, "CID:5280453": { "type": "Drug", "properties": { "id": "CID:5280453", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280453", "label": "calcitriol", "FDA_Category_D_L1000_Similarity": 0.196811, "FDA_Category_D_Structural_Similarity": -0.410507, "FDA_Category_D_Weighted_Contribution": -0.372272, "FDA_Category_D_Top_Rank": -0.0902506, "FDA_Category_X_L1000_Similarity": 3.03924, "FDA_Category_X_Structural_Similarity": 1.29726, "FDA_Category_X_Weighted_Contribution": 2.87642, "FDA_Category_X_Top_Rank": 0.571074, "FDA_Category_D_and_X_L1000_Similarity": 1.09261, "FDA_Category_D_and_X_Structural_Similarity": 0.374169, "FDA_Category_D_and_X_Weighted_Contribution": 0.842555, "FDA_Category_D_and_X_Top_Rank": -0.0630581, "Placenta_Crossing_L1000_Similarity": 0.674111, "Placenta_Crossing_Structural_Similarity": 0.235723, "Placenta_Crossing_Weighted_Contribution": 0.421742, "Placenta_Crossing_Top_Rank": -0.0768814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C", "InChI_key": "GMRQFYUYWCNGIN-NKMMMXOESA-N" } }, "CID:5281078": { "type": "Drug", "properties": { "id": "CID:5281078", "label": "mycophenolate mofetil", "lsm": "LSM-4071", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281078", "FDA_Category_D_L1000_Similarity": -0.133748, "FDA_Category_D_Structural_Similarity": -0.400155, "FDA_Category_D_Weighted_Contribution": -0.521209, "FDA_Category_D_Top_Rank": -0.0929029, "FDA_Category_X_L1000_Similarity": -1.9411, "FDA_Category_X_Structural_Similarity": -0.086787, "FDA_Category_X_Weighted_Contribution": -0.968546, "FDA_Category_X_Top_Rank": -0.0819754, "FDA_Category_D_and_X_L1000_Similarity": -0.704765, "FDA_Category_D_and_X_Structural_Similarity": -0.364438, "FDA_Category_D_and_X_Weighted_Contribution": -0.735241, "FDA_Category_D_and_X_Top_Rank": -0.0925403, "Placenta_Crossing_L1000_Similarity": -1.41406, "Placenta_Crossing_Structural_Similarity": 0.278862, "Placenta_Crossing_Weighted_Contribution": -0.503911, "Placenta_Crossing_Top_Rank": -0.0755749, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O", "InChI_key": "RTGDFNSFWBGLEC-SYZQJQIISA-N" } }, "CID:5281104": { "type": "Drug", "properties": { "id": "CID:5281104", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281104", "label": "paricalcitol", "FDA_Category_D_L1000_Similarity": 0.0178804, "FDA_Category_D_Structural_Similarity": -0.914554, "FDA_Category_D_Weighted_Contribution": -0.831175, "FDA_Category_D_Top_Rank": -0.0920459, "FDA_Category_X_L1000_Similarity": 0.907371, "FDA_Category_X_Structural_Similarity": 0.605493, "FDA_Category_X_Weighted_Contribution": 0.998991, "FDA_Category_X_Top_Rank": -0.0575195, "FDA_Category_D_and_X_L1000_Similarity": 0.290964, "FDA_Category_D_and_X_Structural_Similarity": -0.399172, "FDA_Category_D_and_X_Weighted_Contribution": -0.336733, "FDA_Category_D_and_X_Top_Rank": -0.0890896, "Placenta_Crossing_L1000_Similarity": -0.867111, "Placenta_Crossing_Structural_Similarity": -0.600117, "Placenta_Crossing_Weighted_Contribution": -0.925674, "Placenta_Crossing_Top_Rank": -0.0905651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C", "InChI_key": "BPKAHTKRCLCHEA-UBFJEZKGSA-N" } }, "CID:5281691": { "type": "Drug", "properties": { "id": "CID:5281691", "label": "rhamnetin", "lsm": "LSM-2821", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281691", "FDA_Category_D_L1000_Similarity": -0.420819, "FDA_Category_D_Structural_Similarity": 0.413331, "FDA_Category_D_Weighted_Contribution": 0.0425717, "FDA_Category_D_Top_Rank": -0.0739825, "FDA_Category_X_L1000_Similarity": -1.69936, "FDA_Category_X_Structural_Similarity": -0.357222, "FDA_Category_X_Weighted_Contribution": -1.06221, "FDA_Category_X_Top_Rank": -0.0874914, "FDA_Category_D_and_X_L1000_Similarity": -0.878815, "FDA_Category_D_and_X_Structural_Similarity": 0.135311, "FDA_Category_D_and_X_Weighted_Contribution": -0.435633, "FDA_Category_D_and_X_Top_Rank": -0.0831751, "Placenta_Crossing_L1000_Similarity": -1.18421, "Placenta_Crossing_Structural_Similarity": -0.167946, "Placenta_Crossing_Weighted_Contribution": -0.747771, "Placenta_Crossing_Top_Rank": -0.0854735, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O", "InChI_key": "JGUZGNYPMHHYRK-UHFFFAOYSA-N" } }, "CID:5281708": { "type": "Drug", "properties": { "id": "CID:5281708", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281708", "label": "daidzein", "FDA_Category_D_L1000_Similarity": -0.705129, "FDA_Category_D_Structural_Similarity": -0.861875, "FDA_Category_D_Weighted_Contribution": -1.06038, "FDA_Category_D_Top_Rank": -0.095744, "FDA_Category_X_L1000_Similarity": -1.62014, "FDA_Category_X_Structural_Similarity": -0.606312, "FDA_Category_X_Weighted_Contribution": -1.18314, "FDA_Category_X_Top_Rank": -0.0911386, "FDA_Category_D_and_X_L1000_Similarity": -1.09984, "FDA_Category_D_and_X_Structural_Similarity": -1.01125, "FDA_Category_D_and_X_Weighted_Contribution": -1.23463, "FDA_Category_D_and_X_Top_Rank": -0.0963423, "Placenta_Crossing_L1000_Similarity": -0.392456, "Placenta_Crossing_Structural_Similarity": -0.577717, "Placenta_Crossing_Weighted_Contribution": -0.753383, "Placenta_Crossing_Top_Rank": -0.0903795, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O", "InChI_key": "ZQSIJRDFPHDXIC-UHFFFAOYSA-N" } }, "CID:5286565": { "type": "Drug", "properties": { "id": "CID:5286565", "label": "st-4029573", "lsm": "LSM-4556", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5286565", "FDA_Category_D_L1000_Similarity": -0.923027, "FDA_Category_X_L1000_Similarity": -1.1058, "FDA_Category_D_and_X_L1000_Similarity": -1.13148, "Placenta_Crossing_L1000_Similarity": -1.01452, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=CC=C2N3C(=O)C(=CC4=CNC5=CC=CC=C54)C(=O)NC3=S", "InChI_key": "GNMYBBZJYXAFKU-LDADJPATSA-N" } }, "CID:5288149": { "type": "Drug", "properties": { "id": "CID:5288149", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5288149", "label": "seocalcitol", "FDA_Category_D_L1000_Similarity": -0.751199, "FDA_Category_D_Structural_Similarity": 0.732097, "FDA_Category_D_Weighted_Contribution": 0.16386, "FDA_Category_D_Top_Rank": -0.062919, "FDA_Category_X_L1000_Similarity": 0.202922, "FDA_Category_X_Structural_Similarity": 1.59369, "FDA_Category_X_Weighted_Contribution": 1.72167, "FDA_Category_X_Top_Rank": -0.00272068, "FDA_Category_D_and_X_L1000_Similarity": -0.585919, "FDA_Category_D_and_X_Structural_Similarity": 1.44103, "FDA_Category_D_and_X_Weighted_Contribution": 0.976443, "FDA_Category_D_and_X_Top_Rank": -0.0210169, "Placenta_Crossing_L1000_Similarity": -1.22413, "Placenta_Crossing_Structural_Similarity": 0.527056, "Placenta_Crossing_Weighted_Contribution": -0.217878, "Placenta_Crossing_Top_Rank": -0.0688016, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC)(C=CC=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O", "InChI_key": "LVLLALCJVJNGQQ-SEODYNFXSA-N" } }, "CID:5311042": { "type": "Drug", "properties": { "id": "CID:5311042", "label": "cgp-55845", "lsm": "LSM-1892", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311042", "FDA_Category_D_L1000_Similarity": 1.04389, "FDA_Category_D_Structural_Similarity": -0.762041, "FDA_Category_D_Weighted_Contribution": -0.248413, "FDA_Category_D_Top_Rank": -0.0627493, "FDA_Category_X_L1000_Similarity": 0.352212, "FDA_Category_X_Structural_Similarity": -0.619144, "FDA_Category_X_Weighted_Contribution": -0.515503, "FDA_Category_X_Top_Rank": -0.0843622, "FDA_Category_D_and_X_L1000_Similarity": 1.0068, "FDA_Category_D_and_X_Structural_Similarity": -0.93893, "FDA_Category_D_and_X_Weighted_Contribution": -0.449367, "FDA_Category_D_and_X_Top_Rank": -0.0687225, "Placenta_Crossing_L1000_Similarity": 1.17764, "Placenta_Crossing_Structural_Similarity": -0.938767, "Placenta_Crossing_Weighted_Contribution": -0.426458, "Placenta_Crossing_Top_Rank": -0.0628658, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2=CC=CC=C2)O)O", "InChI_key": "ZODSPDOOCZZEIM-BBRMVZONSA-N" } }, "CID:5311304": { "type": "Drug", "properties": { "id": "CID:5311304", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311304", "label": "nalbuphine", "FDA_Category_D_L1000_Similarity": 1.28719, "FDA_Category_D_Structural_Similarity": 3.99763, "FDA_Category_D_Weighted_Contribution": 3.91779, "FDA_Category_D_Top_Rank": 0.534909, "FDA_Category_X_L1000_Similarity": 1.50387, "FDA_Category_X_Structural_Similarity": 0.651425, "FDA_Category_X_Weighted_Contribution": 1.39141, "FDA_Category_X_Top_Rank": -0.0468368, "FDA_Category_D_and_X_L1000_Similarity": 1.56627, "FDA_Category_D_and_X_Structural_Similarity": 3.52448, "FDA_Category_D_and_X_Weighted_Contribution": 3.68105, "FDA_Category_D_and_X_Top_Rank": 0.400626, "Placenta_Crossing_L1000_Similarity": 2.01951, "Placenta_Crossing_Structural_Similarity": 0.615508, "Placenta_Crossing_Weighted_Contribution": 1.55361, "Placenta_Crossing_Top_Rank": 0.0492155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O", "InChI_key": "NETZHAKZCGBWSS-CEDHKZHLSA-N" } }, "CID:5320": { "type": "Drug", "properties": { "id": "CID:5320", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5320", "label": "sulfacetamide", "FDA_Category_D_L1000_Similarity": 1.20195, "FDA_Category_D_Structural_Similarity": -0.500896, "FDA_Category_D_Weighted_Contribution": 0.0771051, "FDA_Category_D_Top_Rank": -0.0485464, "FDA_Category_X_L1000_Similarity": 1.46788, "FDA_Category_X_Structural_Similarity": -0.595131, "FDA_Category_X_Weighted_Contribution": 0.0124861, "FDA_Category_X_Top_Rank": -0.0491837, "FDA_Category_D_and_X_L1000_Similarity": 1.48186, "FDA_Category_D_and_X_Structural_Similarity": -0.718698, "FDA_Category_D_and_X_Weighted_Contribution": -0.0319758, "FDA_Category_D_and_X_Top_Rank": -0.025764, "Placenta_Crossing_L1000_Similarity": 1.44092, "Placenta_Crossing_Structural_Similarity": -0.077707, "Placenta_Crossing_Weighted_Contribution": 0.499209, "Placenta_Crossing_Top_Rank": -0.0450834, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N", "InChI_key": "SKIVFJLNDNKQPD-UHFFFAOYSA-N" } }, "CID:53232": { "type": "Drug", "properties": { "id": "CID:53232", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53232", "label": "lovastatin", "FDA_Category_D_L1000_Similarity": -1.81966, "FDA_Category_D_Structural_Similarity": 0.481586, "FDA_Category_D_Weighted_Contribution": -0.602763, "FDA_Category_D_Top_Rank": -0.0716493, "FDA_Category_X_L1000_Similarity": 1.76298, "FDA_Category_X_Structural_Similarity": 11.7434, "FDA_Category_X_Weighted_Contribution": 4.72425, "FDA_Category_X_Top_Rank": 8.93401, "FDA_Category_D_and_X_L1000_Similarity": -1.03318, "FDA_Category_D_and_X_Structural_Similarity": 6.71896, "FDA_Category_D_and_X_Weighted_Contribution": 4.1636, "FDA_Category_D_and_X_Top_Rank": 3.08686, "Placenta_Crossing_L1000_Similarity": -0.851605, "Placenta_Crossing_Structural_Similarity": 4.53759, "Placenta_Crossing_Weighted_Contribution": 3.57718, "Placenta_Crossing_Top_Rank": 0.675213, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C", "InChI_key": "PCZOHLXUXFIOCF-BXMDZJJMSA-N" } }, "CID:53245449": { "type": "Drug", "properties": { "id": "CID:53245449", "label": "TUL_XIX002", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53245449", "FDA_Category_D_L1000_Similarity": -2.21386, "FDA_Category_X_L1000_Similarity": -1.89908, "FDA_Category_D_and_X_L1000_Similarity": -2.48509, "Placenta_Crossing_L1000_Similarity": -1.7263, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:53276": { "type": "Drug", "properties": { "id": "CID:53276", "label": "flupirtine", "lsm": "LSM-5616", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53276", "IDG_ID": "1215", "FDA_Category_D_L1000_Similarity": 0.200465, "FDA_Category_D_Structural_Similarity": -0.38505, "FDA_Category_D_Weighted_Contribution": -0.349047, "FDA_Category_D_Top_Rank": -0.0902012, "FDA_Category_X_L1000_Similarity": 0.481105, "FDA_Category_X_Structural_Similarity": -0.657346, "FDA_Category_X_Weighted_Contribution": -0.493688, "FDA_Category_X_Top_Rank": -0.0827388, "FDA_Category_D_and_X_L1000_Similarity": 0.318914, "FDA_Category_D_and_X_Structural_Similarity": -0.660321, "FDA_Category_D_and_X_Weighted_Contribution": -0.532877, "FDA_Category_D_and_X_Top_Rank": -0.0886597, "Placenta_Crossing_L1000_Similarity": 1.05961, "Placenta_Crossing_Structural_Similarity": -0.293003, "Placenta_Crossing_Weighted_Contribution": 0.0923294, "Placenta_Crossing_Top_Rank": -0.0680759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N", "InChI_key": "JUUFBMODXQKSTD-UHFFFAOYSA-N" } }, "CID:5328768": { "type": "Drug", "properties": { "id": "CID:5328768", "label": "tyrphostin-46", "lsm": "LSM-3130", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5328768", "FDA_Category_D_L1000_Similarity": 0.323799, "FDA_Category_X_L1000_Similarity": 0.226042, "FDA_Category_D_and_X_L1000_Similarity": 0.347764, "Placenta_Crossing_L1000_Similarity": 0.893624, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=C(C#N)C(=O)N)O)O", "InChI_key": "USOXQZNJFMKTKJ-XVNBXDOJSA-N" } }, "CID:5353842": { "type": "Drug", "properties": { "id": "CID:5353842", "label": "obaa", "lsm": "LSM-3058", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353842", "FDA_Category_D_L1000_Similarity": 0.966216, "FDA_Category_D_Structural_Similarity": -0.554497, "FDA_Category_D_Weighted_Contribution": -0.103056, "FDA_Category_D_Top_Rank": -0.0671293, "FDA_Category_X_L1000_Similarity": 0.984044, "FDA_Category_X_Structural_Similarity": -0.490537, "FDA_Category_X_Weighted_Contribution": -0.120388, "FDA_Category_X_Top_Rank": -0.0718761, "FDA_Category_D_and_X_L1000_Similarity": 1.13173, "FDA_Category_D_and_X_Structural_Similarity": -0.704804, "FDA_Category_D_and_X_Weighted_Contribution": -0.195419, "FDA_Category_D_and_X_Top_Rank": -0.0604478, "Placenta_Crossing_L1000_Similarity": 2.11524, "Placenta_Crossing_Structural_Similarity": -0.313763, "Placenta_Crossing_Weighted_Contribution": 0.609305, "Placenta_Crossing_Top_Rank": 0.0780509, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O", "InChI_key": "ZBESASFHIWDSCJ-WCWDXBQESA-N" } }, "CID:5356121": { "type": "Drug", "properties": { "id": "CID:5356121", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5356121", "label": "flavokavain-b", "FDA_Category_D_L1000_Similarity": -0.593838, "FDA_Category_D_Structural_Similarity": -0.65318, "FDA_Category_D_Weighted_Contribution": -0.894656, "FDA_Category_D_Top_Rank": -0.095434, "FDA_Category_X_L1000_Similarity": -0.778765, "FDA_Category_X_Structural_Similarity": 0.358528, "FDA_Category_X_Weighted_Contribution": -0.151605, "FDA_Category_X_Top_Rank": -0.0673443, "FDA_Category_D_and_X_L1000_Similarity": -0.748396, "FDA_Category_D_and_X_Structural_Similarity": -0.324978, "FDA_Category_D_and_X_Weighted_Contribution": -0.724858, "FDA_Category_D_and_X_Top_Rank": -0.0920581, "Placenta_Crossing_L1000_Similarity": -1.40269, "Placenta_Crossing_Structural_Similarity": -0.0973869, "Placenta_Crossing_Weighted_Contribution": -0.775457, "Placenta_Crossing_Top_Rank": -0.0841177, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O", "InChI_key": "QKQLSQLKXBHUSO-CMDGGOBGSA-N" } }, "CID:5359": { "type": "Drug", "properties": { "id": "CID:5359", "label": "suprofen", "lsm": "LSM-4406", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5359", "FDA_Category_D_L1000_Similarity": 0.379563, "FDA_Category_D_Structural_Similarity": -0.654804, "FDA_Category_D_Weighted_Contribution": -0.484732, "FDA_Category_D_Top_Rank": -0.08754, "FDA_Category_X_L1000_Similarity": 1.26752, "FDA_Category_X_Structural_Similarity": -0.435202, "FDA_Category_X_Weighted_Contribution": 0.0715838, "FDA_Category_X_Top_Rank": -0.0608435, "FDA_Category_D_and_X_L1000_Similarity": 0.71211, "FDA_Category_D_and_X_Structural_Similarity": -0.754559, "FDA_Category_D_and_X_Weighted_Contribution": -0.434074, "FDA_Category_D_and_X_Top_Rank": -0.0809165, "Placenta_Crossing_L1000_Similarity": -0.298232, "Placenta_Crossing_Structural_Similarity": -0.797315, "Placenta_Crossing_Weighted_Contribution": -0.867985, "Placenta_Crossing_Top_Rank": -0.0900351, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O", "InChI_key": "MDKGKXOCJGEUJW-UHFFFAOYSA-N" } }, "CID:5360697": { "type": "Drug", "properties": { "id": "CID:5360697", "label": "dextrorphan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5360697", "FDA_Category_D_L1000_Similarity": 0.775425, "FDA_Category_D_Structural_Similarity": 0.282925, "FDA_Category_D_Weighted_Contribution": 0.618766, "FDA_Category_D_Top_Rank": -0.0769347, "FDA_Category_X_L1000_Similarity": 0.687925, "FDA_Category_X_Structural_Similarity": 0.792964, "FDA_Category_X_Weighted_Contribution": 1.08717, "FDA_Category_X_Top_Rank": -0.0501308, "FDA_Category_D_and_X_L1000_Similarity": 0.877349, "FDA_Category_D_and_X_Structural_Similarity": 0.652442, "FDA_Category_D_and_X_Weighted_Contribution": 1.01026, "FDA_Category_D_and_X_Top_Rank": -0.0689871, "Placenta_Crossing_L1000_Similarity": 0.696275, "Placenta_Crossing_Structural_Similarity": 0.92296, "Placenta_Crossing_Weighted_Contribution": 1.16153, "Placenta_Crossing_Top_Rank": -0.0537966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O", "InChI_key": "JAQUASYNZVUNQP-PVAVHDDUSA-N" } }, "CID:5361": { "type": "Drug", "properties": { "id": "CID:5361", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5361", "label": "suramin", "FDA_Category_D_L1000_Similarity": 0.629324, "FDA_Category_D_Structural_Similarity": 0.287293, "FDA_Category_D_Weighted_Contribution": 0.533319, "FDA_Category_D_Top_Rank": -0.0775759, "FDA_Category_X_L1000_Similarity": 0.690703, "FDA_Category_X_Structural_Similarity": 0.610584, "FDA_Category_X_Weighted_Contribution": 0.882281, "FDA_Category_X_Top_Rank": -0.0571541, "FDA_Category_D_and_X_L1000_Similarity": 0.752237, "FDA_Category_D_and_X_Structural_Similarity": 0.557497, "FDA_Category_D_and_X_Weighted_Contribution": 0.834642, "FDA_Category_D_and_X_Top_Rank": -0.0721398, "Placenta_Crossing_L1000_Similarity": 0.922866, "Placenta_Crossing_Structural_Similarity": 0.671281, "Placenta_Crossing_Weighted_Contribution": 1.01388, "Placenta_Crossing_Top_Rank": -0.0639683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C", "InChI_key": "FIAFUQMPZJWCLV-UHFFFAOYSA-N" } }, "CID:5362116": { "type": "Drug", "properties": { "id": "CID:5362116", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5362116", "label": "delapril", "FDA_Category_D_L1000_Similarity": 0.94348, "FDA_Category_D_Structural_Similarity": 7.8919, "FDA_Category_D_Weighted_Contribution": 4.46459, "FDA_Category_D_Top_Rank": 3.99856, "FDA_Category_X_L1000_Similarity": -0.505179, "FDA_Category_X_Structural_Similarity": 0.157522, "FDA_Category_X_Weighted_Contribution": -0.211325, "FDA_Category_X_Top_Rank": -0.0749106, "FDA_Category_D_and_X_L1000_Similarity": 0.659886, "FDA_Category_D_and_X_Structural_Similarity": 6.34891, "FDA_Category_D_and_X_Weighted_Contribution": 4.24152, "FDA_Category_D_and_X_Top_Rank": 2.63116, "Placenta_Crossing_L1000_Similarity": 0.30475, "Placenta_Crossing_Structural_Similarity": 4.73243, "Placenta_Crossing_Weighted_Contribution": 3.90376, "Placenta_Crossing_Top_Rank": 0.835255, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2", "InChI_key": "WOUOLAUOZXOLJQ-MBSDFSHPSA-N" } }, "CID:5387": { "type": "Drug", "properties": { "id": "CID:5387", "label": "telenzepine", "lsm": "LSM-2111", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5387", "FDA_Category_D_L1000_Similarity": 1.24246, "FDA_Category_D_Structural_Similarity": -0.774317, "FDA_Category_D_Weighted_Contribution": -0.155893, "FDA_Category_D_Top_Rank": -0.0445958, "FDA_Category_X_L1000_Similarity": 0.818752, "FDA_Category_X_Structural_Similarity": 2.84397, "FDA_Category_X_Weighted_Contribution": 3.24101, "FDA_Category_X_Top_Rank": 0.175735, "FDA_Category_D_and_X_L1000_Similarity": 1.31966, "FDA_Category_D_and_X_Structural_Similarity": 0.920006, "FDA_Category_D_and_X_Weighted_Contribution": 1.56074, "FDA_Category_D_and_X_Top_Rank": -0.0449273, "Placenta_Crossing_L1000_Similarity": 1.25282, "Placenta_Crossing_Structural_Similarity": 0.509405, "Placenta_Crossing_Weighted_Contribution": 1.01982, "Placenta_Crossing_Top_Rank": -0.0589458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C", "InChI_key": "VSWPGAIWKHPTKX-UHFFFAOYSA-N" } }, "CID:5392245": { "type": "Drug", "properties": { "id": "CID:5392245", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5392245", "label": "calycanthine", "FDA_Category_D_L1000_Similarity": 0.855524, "FDA_Category_D_Structural_Similarity": -0.309032, "FDA_Category_D_Weighted_Contribution": 0.0665365, "FDA_Category_D_Top_Rank": -0.073547, "FDA_Category_X_L1000_Similarity": 1.61525, "FDA_Category_X_Structural_Similarity": -0.379662, "FDA_Category_X_Weighted_Contribution": 0.306481, "FDA_Category_X_Top_Rank": -0.0382785, "FDA_Category_D_and_X_L1000_Similarity": 1.22799, "FDA_Category_D_and_X_Structural_Similarity": -0.450147, "FDA_Category_D_and_X_Weighted_Contribution": 0.0856923, "FDA_Category_D_and_X_Top_Rank": -0.052896, "Placenta_Crossing_L1000_Similarity": 0.646578, "Placenta_Crossing_Structural_Similarity": 0.422158, "Placenta_Crossing_Weighted_Contribution": 0.599752, "Placenta_Crossing_Top_Rank": -0.0719125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C", "InChI_key": "XSYCDVWYEVUDKQ-GXRSIYKFSA-N" } }, "CID:5419": { "type": "Drug", "properties": { "id": "CID:5419", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5419", "label": "tetryzoline", "FDA_Category_D_L1000_Similarity": 0.76074, "FDA_Category_D_Structural_Similarity": 0.750703, "FDA_Category_D_Weighted_Contribution": 1.11463, "FDA_Category_D_Top_Rank": -0.0623188, "FDA_Category_X_L1000_Similarity": -0.314104, "FDA_Category_X_Structural_Similarity": -0.301368, "FDA_Category_X_Weighted_Contribution": -0.528392, "FDA_Category_X_Top_Rank": -0.086538, "FDA_Category_D_and_X_L1000_Similarity": 0.560383, "FDA_Category_D_and_X_Structural_Similarity": 0.433226, "FDA_Category_D_and_X_Weighted_Contribution": 0.591806, "FDA_Category_D_and_X_Top_Rank": -0.0758949, "Placenta_Crossing_L1000_Similarity": 0.924758, "Placenta_Crossing_Structural_Similarity": 0.619935, "Placenta_Crossing_Weighted_Contribution": 0.959633, "Placenta_Crossing_Top_Rank": -0.065999, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C2=CC=CC=C2C1)C3=NCCN3", "InChI_key": "BYJAVTDNIXVSPW-UHFFFAOYSA-N" } }, "CID:54197": { "type": "Drug", "properties": { "id": "CID:54197", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54197", "label": "Ceftazidime", "FDA_Category_D_L1000_Similarity": -0.414414, "FDA_Category_D_Structural_Similarity": -0.548341, "FDA_Category_D_Weighted_Contribution": -0.753766, "FDA_Category_D_Top_Rank": -0.0946067, "FDA_Category_X_L1000_Similarity": -1.19032, "FDA_Category_X_Structural_Similarity": -0.0567917, "FDA_Category_X_Weighted_Contribution": -0.682161, "FDA_Category_X_Top_Rank": -0.0810948, "FDA_Category_D_and_X_L1000_Similarity": -0.718708, "FDA_Category_D_and_X_Structural_Similarity": -0.46587, "FDA_Category_D_and_X_Weighted_Contribution": -0.808992, "FDA_Category_D_and_X_Top_Rank": -0.0936625, "Placenta_Crossing_L1000_Similarity": 0.267795, "Placenta_Crossing_Structural_Similarity": 0.569434, "Placenta_Crossing_Weighted_Contribution": 0.553016, "Placenta_Crossing_Top_Rank": -0.0675952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54367": { "type": "Drug", "properties": { "id": "CID:54367", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54367", "label": "altanserin", "FDA_Category_D_L1000_Similarity": -0.359958, "FDA_Category_D_Structural_Similarity": -0.68528, "FDA_Category_D_Weighted_Contribution": -0.825803, "FDA_Category_D_Top_Rank": -0.0945429, "FDA_Category_X_L1000_Similarity": 0.979723, "FDA_Category_X_Structural_Similarity": -0.706577, "FDA_Category_X_Weighted_Contribution": -0.321075, "FDA_Category_X_Top_Rank": -0.0720072, "FDA_Category_D_and_X_L1000_Similarity": -0.0127577, "FDA_Category_D_and_X_Structural_Similarity": -0.925182, "FDA_Category_D_and_X_Weighted_Contribution": -0.850419, "FDA_Category_D_and_X_Top_Rank": -0.0922936, "Placenta_Crossing_L1000_Similarity": -0.192496, "Placenta_Crossing_Structural_Similarity": -0.688122, "Placenta_Crossing_Weighted_Contribution": -0.759563, "Placenta_Crossing_Top_Rank": -0.0895415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4N=C3S", "InChI_key": "SMYALUSCZJXWHG-UHFFFAOYSA-N" } }, "CID:54657693": { "type": "Drug", "properties": { "id": "CID:54657693", "label": "SA-1973509", "lsm": "LSM-6846", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657693", "FDA_Category_D_L1000_Similarity": -1.44146, "FDA_Category_X_L1000_Similarity": -0.0420114, "FDA_Category_D_and_X_L1000_Similarity": -1.25532, "Placenta_Crossing_L1000_Similarity": -1.55912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657695": { "type": "Drug", "properties": { "id": "CID:54657695", "label": "SA-1973497", "lsm": "LSM-6832", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657695", "FDA_Category_D_L1000_Similarity": -1.84446, "FDA_Category_X_L1000_Similarity": -1.18808, "FDA_Category_D_and_X_L1000_Similarity": -1.95076, "Placenta_Crossing_L1000_Similarity": -1.43976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657710": { "type": "Drug", "properties": { "id": "CID:54657710", "label": "SA-1456508", "lsm": "LSM-11273", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657710", "FDA_Category_D_L1000_Similarity": 1.67511, "FDA_Category_X_L1000_Similarity": 1.11396, "FDA_Category_D_and_X_L1000_Similarity": 1.78226, "Placenta_Crossing_L1000_Similarity": 1.78673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657953": { "type": "Drug", "properties": { "id": "CID:54657953", "label": "SA-1456195", "lsm": "LSM-12623", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657953", "FDA_Category_D_L1000_Similarity": 1.67054, "FDA_Category_X_L1000_Similarity": 0.82172, "FDA_Category_D_and_X_L1000_Similarity": 1.68958, "Placenta_Crossing_L1000_Similarity": 1.59914, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658969": { "type": "Drug", "properties": { "id": "CID:54658969", "label": "SA-1457797", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658969", "FDA_Category_D_L1000_Similarity": 0.419383, "FDA_Category_D_Structural_Similarity": -0.5655, "FDA_Category_D_Weighted_Contribution": -0.39285, "FDA_Category_D_Top_Rank": -0.0868458, "FDA_Category_X_L1000_Similarity": 1.66605, "FDA_Category_X_Structural_Similarity": -0.406054, "FDA_Category_X_Weighted_Contribution": 0.305465, "FDA_Category_X_Top_Rank": -0.0336767, "FDA_Category_D_and_X_L1000_Similarity": 0.867472, "FDA_Category_D_and_X_Structural_Similarity": -0.66795, "FDA_Category_D_and_X_Weighted_Contribution": -0.291114, "FDA_Category_D_and_X_Top_Rank": -0.0754115, "Placenta_Crossing_L1000_Similarity": 0.902475, "Placenta_Crossing_Structural_Similarity": -0.330003, "Placenta_Crossing_Weighted_Contribution": -0.0176754, "Placenta_Crossing_Top_Rank": -0.0735104, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659633": { "type": "Drug", "properties": { "id": "CID:54659633", "label": "SA-1456220", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659633", "FDA_Category_D_L1000_Similarity": 0.361142, "FDA_Category_D_Structural_Similarity": -0.281558, "FDA_Category_D_Weighted_Contribution": -0.176882, "FDA_Category_D_Top_Rank": -0.0878227, "FDA_Category_X_L1000_Similarity": 1.07334, "FDA_Category_X_Structural_Similarity": -0.163273, "FDA_Category_X_Weighted_Contribution": 0.24939, "FDA_Category_X_Top_Rank": -0.0689971, "FDA_Category_D_and_X_L1000_Similarity": 0.637262, "FDA_Category_D_and_X_Structural_Similarity": -0.311577, "FDA_Category_D_and_X_Weighted_Contribution": -0.0923459, "FDA_Category_D_and_X_Top_Rank": -0.0826675, "Placenta_Crossing_L1000_Similarity": 0.697366, "Placenta_Crossing_Structural_Similarity": 0.265136, "Placenta_Crossing_Weighted_Contribution": 0.463874, "Placenta_Crossing_Top_Rank": -0.0760522, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660156": { "type": "Drug", "properties": { "id": "CID:54660156", "label": "SA-1459854", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660156", "FDA_Category_D_L1000_Similarity": -0.903785, "FDA_Category_D_Structural_Similarity": -0.245926, "FDA_Category_D_Weighted_Contribution": -0.742633, "FDA_Category_D_Top_Rank": -0.0903849, "FDA_Category_X_L1000_Similarity": 0.307726, "FDA_Category_X_Structural_Similarity": -0.108927, "FDA_Category_X_Weighted_Contribution": -0.0791849, "FDA_Category_X_Top_Rank": -0.0825131, "FDA_Category_D_and_X_L1000_Similarity": -0.685626, "FDA_Category_D_and_X_Structural_Similarity": -0.253972, "FDA_Category_D_and_X_Weighted_Contribution": -0.649606, "FDA_Category_D_and_X_Top_Rank": -0.0910409, "Placenta_Crossing_L1000_Similarity": -0.602168, "Placenta_Crossing_Structural_Similarity": 0.190986, "Placenta_Crossing_Weighted_Contribution": -0.235805, "Placenta_Crossing_Top_Rank": -0.0779927, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666569": { "type": "Drug", "properties": { "id": "CID:54666569", "label": "SA-1920013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666569", "FDA_Category_D_L1000_Similarity": -0.882476, "FDA_Category_D_Structural_Similarity": -0.734995, "FDA_Category_D_Weighted_Contribution": -1.04721, "FDA_Category_D_Top_Rank": -0.0960952, "FDA_Category_X_L1000_Similarity": -0.330696, "FDA_Category_X_Structural_Similarity": -0.447577, "FDA_Category_X_Weighted_Contribution": -0.651819, "FDA_Category_X_Top_Rank": -0.0890142, "FDA_Category_D_and_X_L1000_Similarity": -0.861138, "FDA_Category_D_and_X_Structural_Similarity": -0.824886, "FDA_Category_D_and_X_Weighted_Contribution": -1.07301, "FDA_Category_D_and_X_Top_Rank": -0.0960091, "Placenta_Crossing_L1000_Similarity": 0.235651, "Placenta_Crossing_Structural_Similarity": 0.437656, "Placenta_Crossing_Weighted_Contribution": 0.400885, "Placenta_Crossing_Top_Rank": -0.0714537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666596": { "type": "Drug", "properties": { "id": "CID:54666596", "label": "SA-1920453", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666596", "FDA_Category_D_L1000_Similarity": -0.806966, "FDA_Category_X_L1000_Similarity": -0.124676, "FDA_Category_D_and_X_L1000_Similarity": -0.733481, "Placenta_Crossing_L1000_Similarity": -0.549351, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666597": { "type": "Drug", "properties": { "id": "CID:54666597", "label": "SA-1920890", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666597", "FDA_Category_D_L1000_Similarity": -0.305346, "FDA_Category_X_L1000_Similarity": -0.425547, "FDA_Category_D_and_X_L1000_Similarity": -0.39245, "Placenta_Crossing_L1000_Similarity": -0.567286, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54667012": { "type": "Drug", "properties": { "id": "CID:54667012", "label": "SA-1920327", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54667012", "FDA_Category_D_L1000_Similarity": -0.166441, "FDA_Category_D_Structural_Similarity": -0.684244, "FDA_Category_D_Weighted_Contribution": -0.747236, "FDA_Category_D_Top_Rank": -0.0934741, "FDA_Category_X_L1000_Similarity": 0.505377, "FDA_Category_X_Structural_Similarity": -0.342218, "FDA_Category_X_Weighted_Contribution": -0.20583, "FDA_Category_X_Top_Rank": -0.0824512, "FDA_Category_D_and_X_L1000_Similarity": 0.0100001, "FDA_Category_D_and_X_Structural_Similarity": -0.727753, "FDA_Category_D_and_X_Weighted_Contribution": -0.709272, "FDA_Category_D_and_X_Top_Rank": -0.0921104, "Placenta_Crossing_L1000_Similarity": -0.330957, "Placenta_Crossing_Structural_Similarity": 0.7539, "Placenta_Crossing_Weighted_Contribution": 0.430205, "Placenta_Crossing_Top_Rank": -0.0611877, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54675769": { "type": "Drug", "properties": { "id": "CID:54675769", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54675769", "label": "novobiocin", "FDA_Category_D_L1000_Similarity": 0.884093, "FDA_Category_D_Structural_Similarity": 1.13248, "FDA_Category_D_Weighted_Contribution": 1.60996, "FDA_Category_D_Top_Rank": -0.0443561, "FDA_Category_X_L1000_Similarity": -0.161283, "FDA_Category_X_Structural_Similarity": -0.382071, "FDA_Category_X_Weighted_Contribution": -0.531864, "FDA_Category_X_Top_Rank": -0.0879201, "FDA_Category_D_and_X_L1000_Similarity": 0.713129, "FDA_Category_D_and_X_Structural_Similarity": 0.692697, "FDA_Category_D_and_X_Weighted_Contribution": 0.954985, "FDA_Category_D_and_X_Top_Rank": -0.0673573, "Placenta_Crossing_L1000_Similarity": 1.70491, "Placenta_Crossing_Structural_Similarity": 0.465083, "Placenta_Crossing_Weighted_Contribution": 1.21972, "Placenta_Crossing_Top_Rank": -0.0146356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O", "InChI_key": "YJQPYGGHQPGBLI-KGSXXDOSSA-N" } }, "CID:54676038": { "type": "Drug", "properties": { "id": "CID:54676038", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54676038", "label": "dicoumarol", "FDA_Category_D_L1000_Similarity": 1.50923, "FDA_Category_D_Structural_Similarity": -0.459426, "FDA_Category_D_Weighted_Contribution": 0.295341, "FDA_Category_D_Top_Rank": -0.0061322, "FDA_Category_X_L1000_Similarity": 1.05916, "FDA_Category_X_Structural_Similarity": -0.692621, "FDA_Category_X_Weighted_Contribution": -0.272876, "FDA_Category_X_Top_Rank": -0.069514, "FDA_Category_D_and_X_L1000_Similarity": 1.62263, "FDA_Category_D_and_X_Structural_Similarity": -0.738388, "FDA_Category_D_and_X_Weighted_Contribution": 0.0227789, "FDA_Category_D_and_X_Top_Rank": -0.00404593, "Placenta_Crossing_L1000_Similarity": 0.926069, "Placenta_Crossing_Structural_Similarity": -0.516307, "Placenta_Crossing_Weighted_Contribution": -0.176062, "Placenta_Crossing_Top_Rank": -0.0728687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O", "InChI_key": "DOBMPNYZJYQDGZ-UHFFFAOYSA-N" } }, "CID:54682040": { "type": "Drug", "properties": { "id": "CID:54682040", "label": "BMS-707035", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54682040", "FDA_Category_D_L1000_Similarity": -1.38089, "FDA_Category_D_Structural_Similarity": -0.789487, "FDA_Category_D_Weighted_Contribution": -1.23087, "FDA_Category_D_Top_Rank": -0.0964381, "FDA_Category_X_L1000_Similarity": 0.821847, "FDA_Category_X_Structural_Similarity": -0.427055, "FDA_Category_X_Weighted_Contribution": -0.137124, "FDA_Category_X_Top_Rank": -0.0763708, "FDA_Category_D_and_X_L1000_Similarity": -0.94077, "FDA_Category_D_and_X_Structural_Similarity": -0.857063, "FDA_Category_D_and_X_Weighted_Contribution": -1.11408, "FDA_Category_D_and_X_Top_Rank": -0.0961468, "Placenta_Crossing_L1000_Similarity": 0.896171, "Placenta_Crossing_Structural_Similarity": 1.3234, "Placenta_Crossing_Weighted_Contribution": 1.70031, "Placenta_Crossing_Top_Rank": -0.0313943, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54686939": { "type": "Drug", "properties": { "id": "CID:54686939", "label": "dihydrorobustic-acid", "lsm": "LSM-4122", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54686939", "FDA_Category_D_L1000_Similarity": 1.48796, "FDA_Category_D_Structural_Similarity": 0.741085, "FDA_Category_D_Weighted_Contribution": 1.5691, "FDA_Category_D_Top_Rank": -0.0111065, "FDA_Category_X_L1000_Similarity": 0.15456, "FDA_Category_X_Structural_Similarity": 1.42232, "FDA_Category_X_Weighted_Contribution": 1.50042, "FDA_Category_X_Top_Rank": -0.0134185, "FDA_Category_D_and_X_L1000_Similarity": 1.32958, "FDA_Category_D_and_X_Structural_Similarity": 1.35569, "FDA_Category_D_and_X_Weighted_Contribution": 2.01626, "FDA_Category_D_and_X_Top_Rank": -0.0266889, "Placenta_Crossing_L1000_Similarity": 1.27495, "Placenta_Crossing_Structural_Similarity": 0.633014, "Placenta_Crossing_Weighted_Contribution": 1.16544, "Placenta_Crossing_Top_Rank": -0.057398, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)C", "InChI_key": "WJMJXJYEGROEHH-UHFFFAOYSA-N" } }, "CID:5475158": { "type": "Drug", "properties": { "id": "CID:5475158", "label": "cinanserin", "lsm": "LSM-2337", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5475158", "FDA_Category_D_L1000_Similarity": 1.08503, "FDA_Category_D_Structural_Similarity": 1.20309, "FDA_Category_D_Weighted_Contribution": 1.81158, "FDA_Category_D_Top_Rank": -0.0397501, "FDA_Category_X_L1000_Similarity": 0.792637, "FDA_Category_X_Structural_Similarity": -0.368467, "FDA_Category_X_Weighted_Contribution": -0.0953574, "FDA_Category_X_Top_Rank": -0.0770861, "FDA_Category_D_and_X_L1000_Similarity": 1.17602, "FDA_Category_D_and_X_Structural_Similarity": 0.756088, "FDA_Category_D_and_X_Weighted_Contribution": 1.30046, "FDA_Category_D_and_X_Top_Rank": -0.0566256, "Placenta_Crossing_L1000_Similarity": 0.724115, "Placenta_Crossing_Structural_Similarity": -0.385782, "Placenta_Crossing_Weighted_Contribution": -0.151057, "Placenta_Crossing_Top_Rank": -0.078301, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2", "InChI_key": "RSUVYMGADVXGOU-BUHFOSPRSA-N" } }, "CID:5482": { "type": "Drug", "properties": { "id": "CID:5482", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5482", "label": "tioconazole", "FDA_Category_D_L1000_Similarity": -0.628548, "FDA_Category_D_Structural_Similarity": -0.828367, "FDA_Category_D_Weighted_Contribution": -1.01502, "FDA_Category_D_Top_Rank": -0.0955419, "FDA_Category_X_L1000_Similarity": 0.239893, "FDA_Category_X_Structural_Similarity": -0.738597, "FDA_Category_X_Weighted_Contribution": -0.65608, "FDA_Category_X_Top_Rank": -0.0855603, "FDA_Category_D_and_X_L1000_Similarity": -0.468969, "FDA_Category_D_and_X_Structural_Similarity": -1.05603, "FDA_Category_D_and_X_Weighted_Contribution": -1.07915, "FDA_Category_D_and_X_Top_Rank": -0.0949537, "Placenta_Crossing_L1000_Similarity": 0.518699, "Placenta_Crossing_Structural_Similarity": -1.06793, "Placenta_Crossing_Weighted_Contribution": -0.772598, "Placenta_Crossing_Top_Rank": -0.0826037, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl", "InChI_key": "QXHHHPZILQDDPS-UHFFFAOYSA-N" } }, "CID:5488548": { "type": "Drug", "properties": { "id": "CID:5488548", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5488548", "label": "alvimopan", "FDA_Category_D_L1000_Similarity": -0.89268, "FDA_Category_D_Structural_Similarity": -0.12542, "FDA_Category_D_Weighted_Contribution": -0.650858, "FDA_Category_D_Top_Rank": -0.0881306, "FDA_Category_X_L1000_Similarity": 0.730505, "FDA_Category_X_Structural_Similarity": -0.572437, "FDA_Category_X_Weighted_Contribution": -0.312669, "FDA_Category_X_Top_Rank": -0.0784607, "FDA_Category_D_and_X_L1000_Similarity": -0.547669, "FDA_Category_D_and_X_Structural_Similarity": -0.408432, "FDA_Category_D_and_X_Weighted_Contribution": -0.704567, "FDA_Category_D_and_X_Top_Rank": -0.0930694, "Placenta_Crossing_L1000_Similarity": 0.51254, "Placenta_Crossing_Structural_Similarity": -0.963845, "Placenta_Crossing_Weighted_Contribution": -0.702239, "Placenta_Crossing_Top_Rank": -0.082735, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O", "InChI_key": "UPNUIXSCZBYVBB-JVFUWBCBSA-N" } }, "CID:5564": { "type": "Drug", "properties": { "id": "CID:5564", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5564", "label": "triclosan", "FDA_Category_D_L1000_Similarity": -0.114396, "FDA_Category_X_L1000_Similarity": -1.61285, "FDA_Category_D_and_X_L1000_Similarity": -0.588404, "Placenta_Crossing_L1000_Similarity": 0.279995, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl", "InChI_key": "XEFQLINVKFYRCS-UHFFFAOYSA-N" } }, "CID:5572": { "type": "Drug", "properties": { "id": "CID:5572", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5572", "label": "trihexyphenidyl", "FDA_Category_D_L1000_Similarity": 0.361011, "FDA_Category_X_L1000_Similarity": 0.194989, "FDA_Category_D_and_X_L1000_Similarity": 0.370411, "Placenta_Crossing_L1000_Similarity": 0.641037, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O", "InChI_key": "HWHLPVGTWGOCJO-UHFFFAOYSA-N" } }, "CID:5584": { "type": "Drug", "properties": { "id": "CID:5584", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5584", "label": "trimipramine", "FDA_Category_D_L1000_Similarity": -0.996758, "FDA_Category_D_Structural_Similarity": 0.407913, "FDA_Category_D_Weighted_Contribution": -0.27025, "FDA_Category_D_Top_Rank": -0.0741882, "FDA_Category_X_L1000_Similarity": 2.06756, "FDA_Category_X_Structural_Similarity": -0.142003, "FDA_Category_X_Weighted_Contribution": 0.8109, "FDA_Category_X_Top_Rank": 0.0219323, "FDA_Category_D_and_X_L1000_Similarity": -0.231343, "FDA_Category_D_and_X_Structural_Similarity": 0.247142, "FDA_Category_D_and_X_Weighted_Contribution": -0.0269478, "FDA_Category_D_and_X_Top_Rank": -0.0806228, "Placenta_Crossing_L1000_Similarity": 0.572626, "Placenta_Crossing_Structural_Similarity": 1.45632, "Placenta_Crossing_Weighted_Contribution": 1.66729, "Placenta_Crossing_Top_Rank": -0.0225949, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C", "InChI_key": "ZSCDBOWYZJWBIY-UHFFFAOYSA-N" } }, "CID:5593": { "type": "Drug", "properties": { "id": "CID:5593", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5593", "label": "tropicamide", "FDA_Category_D_L1000_Similarity": 0.599412, "FDA_Category_D_Structural_Similarity": -0.469404, "FDA_Category_D_Weighted_Contribution": -0.219923, "FDA_Category_D_Top_Rank": -0.082667, "FDA_Category_X_L1000_Similarity": 0.77924, "FDA_Category_X_Structural_Similarity": 0.293842, "FDA_Category_X_Weighted_Contribution": 0.579793, "FDA_Category_X_Top_Rank": -0.0700128, "FDA_Category_D_and_X_L1000_Similarity": 0.753335, "FDA_Category_D_and_X_Structural_Similarity": -0.214016, "FDA_Category_D_and_X_Weighted_Contribution": 0.0574594, "FDA_Category_D_and_X_Top_Rank": -0.0794432, "Placenta_Crossing_L1000_Similarity": 1.56606, "Placenta_Crossing_Structural_Similarity": 1.25236, "Placenta_Crossing_Weighted_Contribution": 1.97967, "Placenta_Crossing_Top_Rank": -0.0325329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2", "InChI_key": "BGDKAVGWHJFAGW-UHFFFAOYSA-N" } }, "CID:5626": { "type": "Drug", "properties": { "id": "CID:5626", "label": "u-99194", "lsm": "LSM-3568", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5626", "FDA_Category_D_L1000_Similarity": 1.20319, "FDA_Category_D_Structural_Similarity": -0.826849, "FDA_Category_D_Weighted_Contribution": -0.223354, "FDA_Category_D_Top_Rank": -0.0482857, "FDA_Category_X_L1000_Similarity": 1.26534, "FDA_Category_X_Structural_Similarity": -0.400894, "FDA_Category_X_Weighted_Contribution": 0.10485, "FDA_Category_X_Top_Rank": -0.0610206, "FDA_Category_D_and_X_L1000_Similarity": 1.42143, "FDA_Category_D_and_X_Structural_Similarity": -0.872602, "FDA_Category_D_and_X_Weighted_Contribution": -0.200139, "FDA_Category_D_and_X_Top_Rank": -0.0340306, "Placenta_Crossing_L1000_Similarity": 1.23106, "Placenta_Crossing_Structural_Similarity": 0.172201, "Placenta_Crossing_Weighted_Contribution": 0.648503, "Placenta_Crossing_Top_Rank": -0.0603009, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC", "InChI_key": "UOLJKAPABHXFRE-UHFFFAOYSA-N" } }, "CID:56599306": { "type": "Drug", "properties": { "id": "CID:56599306", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID56599306", "label": "pilaralisib", "FDA_Category_D_L1000_Similarity": -0.0718597, "FDA_Category_D_Structural_Similarity": 0.00942314, "FDA_Category_D_Weighted_Contribution": -0.143141, "FDA_Category_D_Top_Rank": -0.0849365, "FDA_Category_X_L1000_Similarity": 2.04912, "FDA_Category_X_Structural_Similarity": -0.549907, "FDA_Category_X_Weighted_Contribution": 0.355797, "FDA_Category_X_Top_Rank": 0.0193372, "FDA_Category_D_and_X_L1000_Similarity": 0.560336, "FDA_Category_D_and_X_Structural_Similarity": -0.289249, "FDA_Category_D_and_X_Weighted_Contribution": -0.111056, "FDA_Category_D_and_X_Top_Rank": -0.0844701, "Placenta_Crossing_L1000_Similarity": 0.715784, "Placenta_Crossing_Structural_Similarity": -0.748922, "Placenta_Crossing_Weighted_Contribution": -0.462217, "Placenta_Crossing_Top_Rank": -0.0785641, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N", "InChI_key": "QINPEPAQOBZPOF-UHFFFAOYSA-N" } }, "CID:56655374": { "type": "Drug", "properties": { "id": "CID:56655374", "label": "HG-14-10-04", "lsm": "LSM-6345", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56655374", "FDA_Category_D_L1000_Similarity": -1.12209, "FDA_Category_D_Structural_Similarity": -0.121444, "FDA_Category_D_Weighted_Contribution": -0.744995, "FDA_Category_D_Top_Rank": -0.0880518, "FDA_Category_X_L1000_Similarity": 1.71116, "FDA_Category_X_Structural_Similarity": -0.495364, "FDA_Category_X_Weighted_Contribution": 0.23601, "FDA_Category_X_Top_Rank": -0.0294506, "FDA_Category_D_and_X_L1000_Similarity": -0.447614, "FDA_Category_D_and_X_Structural_Similarity": -0.363688, "FDA_Category_D_and_X_Weighted_Contribution": -0.632385, "FDA_Category_D_and_X_Top_Rank": -0.0925269, "Placenta_Crossing_L1000_Similarity": -1.03279, "Placenta_Crossing_Structural_Similarity": -0.302926, "Placenta_Crossing_Weighted_Contribution": -0.78761, "Placenta_Crossing_Top_Rank": -0.0875503, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5681": { "type": "Drug", "properties": { "id": "CID:5681", "label": "n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide", "lsm": "LSM-4021", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5681", "FDA_Category_D_L1000_Similarity": -1.1164, "FDA_Category_D_Structural_Similarity": -0.584196, "FDA_Category_D_Weighted_Contribution": -1.03925, "FDA_Category_D_Top_Rank": -0.0948817, "FDA_Category_X_L1000_Similarity": 0.178088, "FDA_Category_X_Structural_Similarity": -0.503907, "FDA_Category_X_Weighted_Contribution": -0.492181, "FDA_Category_X_Top_Rank": -0.0861573, "FDA_Category_D_and_X_L1000_Similarity": -0.908277, "FDA_Category_D_and_X_Structural_Similarity": -0.73559, "FDA_Category_D_and_X_Weighted_Contribution": -1.03828, "FDA_Category_D_and_X_Top_Rank": -0.0956146, "Placenta_Crossing_L1000_Similarity": 0.247921, "Placenta_Crossing_Structural_Similarity": -0.565411, "Placenta_Crossing_Weighted_Contribution": -0.504804, "Placenta_Crossing_Top_Rank": -0.0862097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN", "InChI_key": "IDEHCMNLNCJQST-UHFFFAOYSA-N" } }, "CID:5701996": { "type": "Drug", "properties": { "id": "CID:5701996", "label": "isoreserpine", "lsm": "LSM-2816", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5701996", "FDA_Category_D_L1000_Similarity": -1.89345, "FDA_Category_X_L1000_Similarity": -0.217425, "FDA_Category_D_and_X_L1000_Similarity": -1.69821, "Placenta_Crossing_L1000_Similarity": -0.98237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC", "InChI_key": "QEVHRUUCFGRFIF-VPHNHGCZSA-N" } }, "CID:5702036": { "type": "Drug", "properties": { "id": "CID:5702036", "label": "dexamethasone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702036", "FDA_Category_D_L1000_Similarity": 0.921263, "FDA_Category_D_Structural_Similarity": -0.0455463, "FDA_Category_D_Weighted_Contribution": 0.365913, "FDA_Category_D_Top_Rank": -0.0702052, "FDA_Category_X_L1000_Similarity": -1.28796, "FDA_Category_X_Structural_Similarity": 2.50595, "FDA_Category_X_Weighted_Contribution": 1.90696, "FDA_Category_X_Top_Rank": 0.111274, "FDA_Category_D_and_X_L1000_Similarity": 0.403007, "FDA_Category_D_and_X_Structural_Similarity": 1.31605, "FDA_Category_D_and_X_Weighted_Contribution": 1.4357, "FDA_Category_D_and_X_Top_Rank": -0.0298987, "Placenta_Crossing_L1000_Similarity": 0.315042, "Placenta_Crossing_Structural_Similarity": 1.31153, "Placenta_Crossing_Weighted_Contribution": 1.37243, "Placenta_Crossing_Top_Rank": -0.0321308, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C", "InChI_key": "AKUJBENLRBOFTD-HIBZCRSPSA-N" } }, "CID:5702069": { "type": "Drug", "properties": { "id": "CID:5702069", "label": "hydrocortisone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702069", "FDA_Category_D_L1000_Similarity": -0.00570371, "FDA_Category_D_Structural_Similarity": -0.227081, "FDA_Category_D_Weighted_Contribution": -0.317383, "FDA_Category_D_Top_Rank": -0.090051, "FDA_Category_X_L1000_Similarity": 0.745555, "FDA_Category_X_Structural_Similarity": 3.50942, "FDA_Category_X_Weighted_Contribution": 3.67069, "FDA_Category_X_Top_Rank": 0.342623, "FDA_Category_D_and_X_L1000_Similarity": 0.221498, "FDA_Category_D_and_X_Structural_Similarity": 1.71343, "FDA_Category_D_and_X_Weighted_Contribution": 1.74725, "FDA_Category_D_and_X_Top_Rank": 0.00549821, "Placenta_Crossing_L1000_Similarity": 0.198707, "Placenta_Crossing_Structural_Similarity": 3.21178, "Placenta_Crossing_Weighted_Contribution": 3.09396, "Placenta_Crossing_Top_Rank": 0.253283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)O)O)C)O", "InChI_key": "VWQWXZAWFPZJDA-PILPDLGISA-N" } }, "CID:57030": { "type": "Drug", "properties": { "id": "CID:57030", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57030", "label": "brequinar", "FDA_Category_D_L1000_Similarity": 0.639, "FDA_Category_D_Structural_Similarity": 0.00878518, "FDA_Category_D_Weighted_Contribution": 0.253795, "FDA_Category_D_Top_Rank": -0.0814623, "FDA_Category_X_L1000_Similarity": -0.863399, "FDA_Category_X_Structural_Similarity": -0.496322, "FDA_Category_X_Weighted_Contribution": -0.88212, "FDA_Category_X_Top_Rank": -0.0897615, "FDA_Category_D_and_X_L1000_Similarity": 0.288625, "FDA_Category_D_and_X_Structural_Similarity": -0.26084, "FDA_Category_D_and_X_Weighted_Contribution": -0.220359, "FDA_Category_D_and_X_Top_Rank": -0.0891268, "Placenta_Crossing_L1000_Similarity": -1.09943, "Placenta_Crossing_Structural_Similarity": -0.755239, "Placenta_Crossing_Weighted_Contribution": -1.08474, "Placenta_Crossing_Top_Rank": -0.0915406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O", "InChI_key": "PHEZJEYUWHETKO-UHFFFAOYSA-N" } }, "CID:5709": { "type": "Drug", "properties": { "id": "CID:5709", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5709", "label": "xylometazoline", "FDA_Category_D_L1000_Similarity": -0.622695, "FDA_Category_D_Structural_Similarity": -0.43075, "FDA_Category_D_Weighted_Contribution": -0.756828, "FDA_Category_D_Top_Rank": -0.0933089, "FDA_Category_X_L1000_Similarity": -0.37408, "FDA_Category_X_Structural_Similarity": -0.498904, "FDA_Category_X_Weighted_Contribution": -0.707741, "FDA_Category_X_Top_Rank": -0.0895776, "FDA_Category_D_and_X_L1000_Similarity": -0.650367, "FDA_Category_D_and_X_Structural_Similarity": -0.611099, "FDA_Category_D_and_X_Weighted_Contribution": -0.878032, "FDA_Category_D_and_X_Top_Rank": -0.0948638, "Placenta_Crossing_L1000_Similarity": -0.438827, "Placenta_Crossing_Structural_Similarity": -0.499074, "Placenta_Crossing_Weighted_Contribution": -0.714893, "Placenta_Crossing_Top_Rank": -0.0896804, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C", "InChI_key": "HUCJFAOMUPXHDK-UHFFFAOYSA-N" } }, "CID:5717": { "type": "Drug", "properties": { "id": "CID:5717", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5717", "label": "zafirlukast", "FDA_Category_D_L1000_Similarity": 1.29039, "FDA_Category_D_Structural_Similarity": -0.657753, "FDA_Category_D_Weighted_Contribution": -0.022738, "FDA_Category_D_Top_Rank": -0.0383924, "FDA_Category_X_L1000_Similarity": 1.44782, "FDA_Category_X_Structural_Similarity": -0.152077, "FDA_Category_X_Weighted_Contribution": 0.45911, "FDA_Category_X_Top_Rank": -0.0504661, "FDA_Category_D_and_X_L1000_Similarity": 1.55202, "FDA_Category_D_and_X_Structural_Similarity": -0.604128, "FDA_Category_D_and_X_Weighted_Contribution": 0.111936, "FDA_Category_D_and_X_Top_Rank": -0.0152474, "Placenta_Crossing_L1000_Similarity": 2.05738, "Placenta_Crossing_Structural_Similarity": -0.333999, "Placenta_Crossing_Weighted_Contribution": 0.557621, "Placenta_Crossing_Top_Rank": 0.0600007, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC", "InChI_key": "YEEZWCHGZNKEEK-UHFFFAOYSA-N" } }, "CID:57335384": { "type": "Drug", "properties": { "id": "CID:57335384", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57335384", "label": "rociletinib", "FDA_Category_D_L1000_Similarity": -2.71035, "FDA_Category_D_Structural_Similarity": 1.03071, "FDA_Category_D_Weighted_Contribution": -0.581766, "FDA_Category_D_Top_Rank": -0.0489583, "FDA_Category_X_L1000_Similarity": -0.647593, "FDA_Category_X_Structural_Similarity": -0.432153, "FDA_Category_X_Weighted_Contribution": -0.759963, "FDA_Category_X_Top_Rank": -0.0887418, "FDA_Category_D_and_X_L1000_Similarity": -2.53303, "FDA_Category_D_and_X_Structural_Similarity": 0.584904, "FDA_Category_D_and_X_Weighted_Contribution": -0.786572, "FDA_Category_D_and_X_Top_Rank": -0.0714598, "Placenta_Crossing_L1000_Similarity": -2.08644, "Placenta_Crossing_Structural_Similarity": -0.675778, "Placenta_Crossing_Weighted_Contribution": -1.29335, "Placenta_Crossing_Top_Rank": -0.0910957, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC", "InChI_key": "HUFOZJXAKZVRNJ-UHFFFAOYSA-N" } }, "CID:574780": { "type": "Drug", "properties": { "id": "CID:574780", "label": "bd-1063", "lsm": "LSM-2649", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/574780", "FDA_Category_D_L1000_Similarity": 0.608491, "FDA_Category_D_Structural_Similarity": 0.296307, "FDA_Category_D_Weighted_Contribution": 0.529986, "FDA_Category_D_Top_Rank": -0.0772767, "FDA_Category_X_L1000_Similarity": 1.57642, "FDA_Category_X_Structural_Similarity": 0.0331835, "FDA_Category_X_Weighted_Contribution": 0.73218, "FDA_Category_X_Top_Rank": -0.0415113, "FDA_Category_D_and_X_L1000_Similarity": 1.00326, "FDA_Category_D_and_X_Structural_Similarity": 0.253088, "FDA_Category_D_and_X_Weighted_Contribution": 0.662576, "FDA_Category_D_and_X_Top_Rank": -0.0689467, "Placenta_Crossing_L1000_Similarity": 0.746639, "Placenta_Crossing_Structural_Similarity": -0.285868, "Placenta_Crossing_Weighted_Contribution": -0.0499853, "Placenta_Crossing_Top_Rank": -0.0777297, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl", "InChI_key": "SUIZRDJCBVPASY-UHFFFAOYSA-N" } }, "CID:57662985": { "type": "Drug", "properties": { "id": "CID:57662985", "label": "BMS-833923", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57662985", "FDA_Category_D_L1000_Similarity": -0.833863, "FDA_Category_D_Structural_Similarity": -0.438158, "FDA_Category_D_Weighted_Contribution": -0.846071, "FDA_Category_D_Top_Rank": -0.093407, "FDA_Category_X_L1000_Similarity": 2.64235, "FDA_Category_X_Structural_Similarity": -0.375244, "FDA_Category_X_Weighted_Contribution": 0.871916, "FDA_Category_X_Top_Rank": 0.253934, "FDA_Category_D_and_X_L1000_Similarity": 0.083639, "FDA_Category_D_and_X_Structural_Similarity": -0.550252, "FDA_Category_D_and_X_Weighted_Contribution": -0.549525, "FDA_Category_D_and_X_Top_Rank": -0.0914668, "Placenta_Crossing_L1000_Similarity": 0.126287, "Placenta_Crossing_Structural_Similarity": -0.185407, "Placenta_Crossing_Weighted_Contribution": -0.241752, "Placenta_Crossing_Top_Rank": -0.0857335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5808": { "type": "Drug", "properties": { "id": "CID:5808", "label": "levisoprenaline", "lsm": "LSM-5503", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5808", "smiles": "CC(C)NC[C@H](O)C1=CC=C(O)C(O)=C1", "IDG_ID": "2388", "FDA_Category_D_L1000_Similarity": 0.429513, "FDA_Category_D_Structural_Similarity": -0.510408, "FDA_Category_D_Weighted_Contribution": -0.341625, "FDA_Category_D_Top_Rank": -0.0866778, "FDA_Category_X_L1000_Similarity": 0.333114, "FDA_Category_X_Structural_Similarity": 0.303536, "FDA_Category_X_Weighted_Contribution": 0.350246, "FDA_Category_X_Top_Rank": -0.0696921, "FDA_Category_D_and_X_L1000_Similarity": 0.471399, "FDA_Category_D_and_X_Structural_Similarity": -0.241331, "FDA_Category_D_and_X_Weighted_Contribution": -0.112794, "FDA_Category_D_and_X_Top_Rank": -0.0862147, "Placenta_Crossing_L1000_Similarity": 0.65673, "Placenta_Crossing_Structural_Similarity": 6.21844, "Placenta_Crossing_Weighted_Contribution": 4.26393, "Placenta_Crossing_Top_Rank": 2.15783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:59239165": { "type": "Drug", "properties": { "id": "CID:59239165", "label": "gdc-0349", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59239165", "FDA_Category_D_L1000_Similarity": -2.79363, "FDA_Category_D_Structural_Similarity": -0.612554, "FDA_Category_D_Weighted_Contribution": -1.50017, "FDA_Category_D_Top_Rank": -0.0951649, "FDA_Category_X_L1000_Similarity": -0.872684, "FDA_Category_X_Structural_Similarity": -0.323805, "FDA_Category_X_Weighted_Contribution": -0.763111, "FDA_Category_X_Top_Rank": -0.0869242, "FDA_Category_D_and_X_L1000_Similarity": -2.67317, "FDA_Category_D_and_X_Structural_Similarity": -0.660916, "FDA_Category_D_and_X_Weighted_Contribution": -1.45152, "FDA_Category_D_and_X_Top_Rank": -0.0952193, "Placenta_Crossing_L1000_Similarity": -2.54746, "Placenta_Crossing_Structural_Similarity": 1.74471, "Placenta_Crossing_Weighted_Contribution": 0.295346, "Placenta_Crossing_Top_Rank": 0.0036471, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOCC5C", "InChI_key": "RGJOJUGRHPQXGF-INIZCTEOSA-N" } }, "CID:598": { "type": "Drug", "properties": { "id": "CID:598", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID598", "label": "coenzyme m", "FDA_Category_D_L1000_Similarity": 1.03123, "FDA_Category_D_Structural_Similarity": -0.547097, "FDA_Category_D_Weighted_Contribution": -0.0610944, "FDA_Category_D_Top_Rank": -0.0635564, "FDA_Category_X_L1000_Similarity": 0.603935, "FDA_Category_X_Structural_Similarity": -0.20444, "FDA_Category_X_Weighted_Contribution": -0.0282406, "FDA_Category_X_Top_Rank": -0.080909, "FDA_Category_D_and_X_L1000_Similarity": 1.07234, "FDA_Category_D_and_X_Structural_Similarity": -0.544553, "FDA_Category_D_and_X_Weighted_Contribution": -0.0824841, "FDA_Category_D_and_X_Top_Rank": -0.0647131, "Placenta_Crossing_L1000_Similarity": 0.596516, "Placenta_Crossing_Structural_Similarity": -0.564551, "Placenta_Crossing_Weighted_Contribution": -0.361265, "Placenta_Crossing_Top_Rank": -0.0810485, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C(CS(=O)(=O)O)S", "InChI_key": "ZNEWHQLOPFWXOF-UHFFFAOYSA-N" } }, "CID:60185223": { "type": "Drug", "properties": { "id": "CID:60185223", "label": "SA-1939079", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60185223", "FDA_Category_D_L1000_Similarity": 0.625145, "FDA_Category_D_Structural_Similarity": -0.315289, "FDA_Category_D_Weighted_Contribution": -0.0666515, "FDA_Category_D_Top_Rank": -0.0819264, "FDA_Category_X_L1000_Similarity": 1.37828, "FDA_Category_X_Structural_Similarity": -0.159067, "FDA_Category_X_Weighted_Contribution": 0.414362, "FDA_Category_X_Top_Rank": -0.0543285, "FDA_Category_D_and_X_L1000_Similarity": 0.957436, "FDA_Category_D_and_X_Structural_Similarity": -0.336081, "FDA_Category_D_and_X_Weighted_Contribution": 0.0502756, "FDA_Category_D_and_X_Top_Rank": -0.071425, "Placenta_Crossing_L1000_Similarity": 1.26641, "Placenta_Crossing_Structural_Similarity": -0.591115, "Placenta_Crossing_Weighted_Contribution": -0.0880631, "Placenta_Crossing_Top_Rank": -0.0580375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60186824": { "type": "Drug", "properties": { "id": "CID:60186824", "label": "SA-1938820", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186824", "FDA_Category_D_L1000_Similarity": -0.639427, "FDA_Category_D_Structural_Similarity": -0.285001, "FDA_Category_D_Weighted_Contribution": -0.659192, "FDA_Category_D_Top_Rank": -0.0911409, "FDA_Category_X_L1000_Similarity": 0.0339177, "FDA_Category_X_Structural_Similarity": -0.166367, "FDA_Category_X_Weighted_Contribution": -0.260891, "FDA_Category_X_Top_Rank": -0.0838156, "FDA_Category_D_and_X_L1000_Similarity": -0.540893, "FDA_Category_D_and_X_Structural_Similarity": -0.31598, "FDA_Category_D_and_X_Weighted_Contribution": -0.635725, "FDA_Category_D_and_X_Top_Rank": -0.0919111, "Placenta_Crossing_L1000_Similarity": -0.520249, "Placenta_Crossing_Structural_Similarity": -0.580569, "Placenta_Crossing_Weighted_Contribution": -0.799499, "Placenta_Crossing_Top_Rank": -0.0903992, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60186845": { "type": "Drug", "properties": { "id": "CID:60186845", "label": "SA-1938757", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186845", "FDA_Category_D_L1000_Similarity": -0.369439, "FDA_Category_D_Structural_Similarity": -0.0873312, "FDA_Category_D_Weighted_Contribution": -0.37931, "FDA_Category_D_Top_Rank": -0.0872512, "FDA_Category_X_L1000_Similarity": -0.412462, "FDA_Category_X_Structural_Similarity": -0.0865546, "FDA_Category_X_Weighted_Contribution": -0.388463, "FDA_Category_X_Top_Rank": -0.0819707, "FDA_Category_D_and_X_L1000_Similarity": -0.443722, "FDA_Category_D_and_X_Structural_Similarity": -0.11602, "FDA_Category_D_and_X_Weighted_Contribution": -0.441568, "FDA_Category_D_and_X_Top_Rank": -0.0886525, "Placenta_Crossing_L1000_Similarity": 0.570342, "Placenta_Crossing_Structural_Similarity": -0.638171, "Placenta_Crossing_Weighted_Contribution": -0.43252, "Placenta_Crossing_Top_Rank": -0.0816908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60186945": { "type": "Drug", "properties": { "id": "CID:60186945", "label": "SA-1938862", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186945", "FDA_Category_D_L1000_Similarity": 0.0136124, "FDA_Category_D_Structural_Similarity": -0.337754, "FDA_Category_D_Weighted_Contribution": -0.401039, "FDA_Category_D_Top_Rank": -0.0920309, "FDA_Category_X_L1000_Similarity": -0.161873, "FDA_Category_X_Structural_Similarity": -0.213403, "FDA_Category_X_Weighted_Contribution": -0.389724, "FDA_Category_X_Top_Rank": -0.0848301, "FDA_Category_D_and_X_L1000_Similarity": -0.0374199, "FDA_Category_D_and_X_Structural_Similarity": -0.383231, "FDA_Category_D_and_X_Weighted_Contribution": -0.472823, "FDA_Category_D_and_X_Top_Rank": -0.0925153, "Placenta_Crossing_L1000_Similarity": -0.953784, "Placenta_Crossing_Structural_Similarity": -0.622005, "Placenta_Crossing_Weighted_Contribution": -0.96585, "Placenta_Crossing_Top_Rank": -0.0907242, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60186978": { "type": "Drug", "properties": { "id": "CID:60186978", "label": "SA-1938219", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186978", "FDA_Category_D_L1000_Similarity": 0.918684, "FDA_Category_D_Structural_Similarity": -0.240641, "FDA_Category_D_Weighted_Contribution": 0.168888, "FDA_Category_D_Top_Rank": -0.0704302, "FDA_Category_X_L1000_Similarity": 1.18386, "FDA_Category_X_Structural_Similarity": -0.23426, "FDA_Category_X_Weighted_Contribution": 0.233158, "FDA_Category_X_Top_Rank": -0.0649576, "FDA_Category_D_and_X_L1000_Similarity": 1.15144, "FDA_Category_D_and_X_Structural_Similarity": -0.317406, "FDA_Category_D_and_X_Weighted_Contribution": 0.171521, "FDA_Category_D_and_X_Top_Rank": -0.0591788, "Placenta_Crossing_L1000_Similarity": 0.878898, "Placenta_Crossing_Structural_Similarity": -0.728391, "Placenta_Crossing_Weighted_Contribution": -0.378327, "Placenta_Crossing_Top_Rank": -0.0742175, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60190124": { "type": "Drug", "properties": { "id": "CID:60190124", "label": "SA-1939007", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60190124", "FDA_Category_D_L1000_Similarity": 0.71208, "FDA_Category_D_Structural_Similarity": -0.32417, "FDA_Category_D_Weighted_Contribution": -0.0274863, "FDA_Category_D_Top_Rank": -0.0792349, "FDA_Category_X_L1000_Similarity": 0.918436, "FDA_Category_X_Structural_Similarity": -0.33325, "FDA_Category_X_Weighted_Contribution": -0.000341114, "FDA_Category_X_Top_Rank": -0.0738652, "FDA_Category_D_and_X_L1000_Similarity": 0.892734, "FDA_Category_D_and_X_Structural_Similarity": -0.437118, "FDA_Category_D_and_X_Weighted_Contribution": -0.0763667, "FDA_Category_D_and_X_Top_Rank": -0.074434, "Placenta_Crossing_L1000_Similarity": -0.277508, "Placenta_Crossing_Structural_Similarity": -0.529276, "Placenta_Crossing_Weighted_Contribution": -0.678075, "Placenta_Crossing_Top_Rank": -0.0899349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60190226": { "type": "Drug", "properties": { "id": "CID:60190226", "label": "SA-1925996", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60190226", "FDA_Category_D_L1000_Similarity": -0.031956, "FDA_Category_X_L1000_Similarity": 0.457206, "FDA_Category_D_and_X_L1000_Similarity": 0.111288, "Placenta_Crossing_L1000_Similarity": 0.0818621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6049": { "type": "Drug", "properties": { "id": "CID:6049", "label": "edetic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6049", "FDA_Category_D_L1000_Similarity": -0.428006, "FDA_Category_D_Structural_Similarity": -0.796552, "FDA_Category_D_Weighted_Contribution": -0.924072, "FDA_Category_D_Top_Rank": -0.0948334, "FDA_Category_X_L1000_Similarity": 0.249823, "FDA_Category_X_Structural_Similarity": 3.55949, "FDA_Category_X_Weighted_Contribution": 3.54757, "FDA_Category_X_Top_Rank": 0.36921, "FDA_Category_D_and_X_L1000_Similarity": -0.293082, "FDA_Category_D_and_X_Structural_Similarity": 1.28845, "FDA_Category_D_and_X_Weighted_Contribution": 0.9888, "FDA_Category_D_and_X_Top_Rank": -0.0328495, "Placenta_Crossing_L1000_Similarity": 0.857508, "Placenta_Crossing_Structural_Similarity": 0.133425, "Placenta_Crossing_Weighted_Contribution": 0.412314, "Placenta_Crossing_Top_Rank": -0.0747322, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O", "InChI_key": "KCXVZYZYPLLWCC-UHFFFAOYSA-N" } }, "CID:60726": { "type": "Drug", "properties": { "id": "CID:60726", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60726", "label": "bromfenac", "FDA_Category_D_L1000_Similarity": 0.0620879, "FDA_Category_D_Structural_Similarity": 1.97588, "FDA_Category_D_Weighted_Contribution": 1.99376, "FDA_Category_D_Top_Rank": 0.0433573, "FDA_Category_X_L1000_Similarity": 1.30368, "FDA_Category_X_Structural_Similarity": -0.0853496, "FDA_Category_X_Weighted_Contribution": 0.453313, "FDA_Category_X_Top_Rank": -0.0588617, "FDA_Category_D_and_X_L1000_Similarity": 0.449423, "FDA_Category_D_and_X_Structural_Similarity": 1.52223, "FDA_Category_D_and_X_Weighted_Contribution": 1.68109, "FDA_Category_D_and_X_Top_Rank": -0.0124779, "Placenta_Crossing_L1000_Similarity": 0.557857, "Placenta_Crossing_Structural_Similarity": 1.82487, "Placenta_Crossing_Weighted_Contribution": 2.04161, "Placenta_Crossing_Top_Rank": 0.0142472, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O", "InChI_key": "ZBPLOVFIXSTCRZ-UHFFFAOYSA-N" } }, "CID:6082": { "type": "Drug", "properties": { "id": "CID:6082", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6082", "label": "methoxamine", "FDA_Category_D_L1000_Similarity": 1.02078, "FDA_Category_D_Structural_Similarity": -0.727886, "FDA_Category_D_Weighted_Contribution": -0.230286, "FDA_Category_D_Top_Rank": -0.0641739, "FDA_Category_X_L1000_Similarity": 0.623006, "FDA_Category_X_Structural_Similarity": -0.486444, "FDA_Category_X_Weighted_Contribution": -0.283782, "FDA_Category_X_Top_Rank": -0.0806641, "FDA_Category_D_and_X_L1000_Similarity": 1.06912, "FDA_Category_D_and_X_Structural_Similarity": -0.840216, "FDA_Category_D_and_X_Weighted_Contribution": -0.34075, "FDA_Category_D_and_X_Top_Rank": -0.0648913, "Placenta_Crossing_L1000_Similarity": 1.40826, "Placenta_Crossing_Structural_Similarity": -0.350923, "Placenta_Crossing_Weighted_Contribution": 0.207474, "Placenta_Crossing_Top_Rank": -0.0475308, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C1=C(C=CC(=C1)OC)OC)O)N", "InChI_key": "WJAJPNHVVFWKKL-UHFFFAOYSA-N" } }, "CID:60937": { "type": "Drug", "properties": { "id": "CID:60937", "label": "tiludronic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60937", "FDA_Category_D_L1000_Similarity": -0.300215, "FDA_Category_D_Structural_Similarity": -0.843179, "FDA_Category_D_Weighted_Contribution": -0.906208, "FDA_Category_D_Top_Rank": -0.094237, "FDA_Category_X_L1000_Similarity": 0.470286, "FDA_Category_X_Structural_Similarity": -0.720741, "FDA_Category_X_Weighted_Contribution": -0.550346, "FDA_Category_X_Top_Rank": -0.0828828, "FDA_Category_D_and_X_L1000_Similarity": -0.115974, "FDA_Category_D_and_X_Structural_Similarity": -1.05815, "FDA_Category_D_and_X_Weighted_Contribution": -0.968236, "FDA_Category_D_and_X_Top_Rank": -0.0930919, "Placenta_Crossing_L1000_Similarity": 0.0913426, "Placenta_Crossing_Structural_Similarity": -0.46785, "Placenta_Crossing_Weighted_Contribution": -0.490553, "Placenta_Crossing_Top_Rank": -0.087627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl", "InChI_key": "DKJJVAGXPKPDRL-UHFFFAOYSA-N" } }, "CID:610479": { "type": "Drug", "properties": { "id": "CID:610479", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID610479", "label": "tolfenamic acid", "FDA_Category_D_L1000_Similarity": 0.216492, "FDA_Category_D_Structural_Similarity": -0.491798, "FDA_Category_D_Weighted_Contribution": -0.430068, "FDA_Category_D_Top_Rank": -0.0900242, "FDA_Category_X_L1000_Similarity": -0.999812, "FDA_Category_X_Structural_Similarity": 0.288428, "FDA_Category_X_Weighted_Contribution": -0.317124, "FDA_Category_X_Top_Rank": -0.0701847, "FDA_Category_D_and_X_L1000_Similarity": -0.117001, "FDA_Category_D_and_X_Structural_Similarity": -0.234712, "FDA_Category_D_and_X_Weighted_Contribution": -0.389607, "FDA_Category_D_and_X_Top_Rank": -0.0907268, "Placenta_Crossing_L1000_Similarity": 0.313478, "Placenta_Crossing_Structural_Similarity": 1.1925, "Placenta_Crossing_Weighted_Contribution": 1.243, "Placenta_Crossing_Top_Rank": -0.04004, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O", "InChI_key": "YEZNLOUZAIOMLT-UHFFFAOYSA-N" } }, "CID:6256": { "type": "Drug", "properties": { "id": "CID:6256", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6256", "label": "trifluridine", "FDA_Category_D_L1000_Similarity": 0.920451, "FDA_Category_D_Structural_Similarity": 1.46146, "FDA_Category_D_Weighted_Contribution": 1.98155, "FDA_Category_D_Top_Rank": -0.0214479, "FDA_Category_X_L1000_Similarity": -0.0789821, "FDA_Category_X_Structural_Similarity": -0.627295, "FDA_Category_X_Weighted_Contribution": -0.693132, "FDA_Category_X_Top_Rank": -0.0880956, "FDA_Category_D_and_X_L1000_Similarity": 0.769463, "FDA_Category_D_and_X_Structural_Similarity": 0.821491, "FDA_Category_D_and_X_Weighted_Contribution": 1.12641, "FDA_Category_D_and_X_Top_Rank": -0.0623785, "Placenta_Crossing_L1000_Similarity": -1.15975, "Placenta_Crossing_Structural_Similarity": 0.906844, "Placenta_Crossing_Weighted_Contribution": 0.163568, "Placenta_Crossing_Top_Rank": -0.0547288, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O", "InChI_key": "VSQQQLOSPVPRAZ-RRKCRQDMSA-N" } }, "CID:62824": { "type": "Drug", "properties": { "id": "CID:62824", "label": "brd-k52219182", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/62824", "FDA_Category_D_L1000_Similarity": 1.58694, "FDA_Category_D_Structural_Similarity": -0.587621, "FDA_Category_D_Weighted_Contribution": 0.212662, "FDA_Category_D_Top_Rank": 0.0110307, "FDA_Category_X_L1000_Similarity": 0.044674, "FDA_Category_X_Structural_Similarity": -0.254308, "FDA_Category_X_Weighted_Contribution": -0.334956, "FDA_Category_X_Top_Rank": -0.0855858, "FDA_Category_D_and_X_L1000_Similarity": 1.38154, "FDA_Category_D_and_X_Structural_Similarity": -0.603626, "FDA_Category_D_and_X_Weighted_Contribution": 0.0224196, "FDA_Category_D_and_X_Top_Rank": -0.0391739, "Placenta_Crossing_L1000_Similarity": 1.47243, "Placenta_Crossing_Structural_Similarity": 0.0561005, "Placenta_Crossing_Weighted_Contribution": 0.655168, "Placenta_Crossing_Top_Rank": -0.0426757, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C(=O)C(=CN2C1=NC(=N2)N)C", "InChI_key": "UQDVRVNMIJAGRK-UHFFFAOYSA-N" } }, "CID:62872": { "type": "Drug", "properties": { "id": "CID:62872", "label": "aminobenztropine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/62872", "FDA_Category_D_L1000_Similarity": 0.0133259, "FDA_Category_D_Structural_Similarity": -0.713338, "FDA_Category_D_Weighted_Contribution": -0.692875, "FDA_Category_D_Top_Rank": -0.092078, "FDA_Category_X_L1000_Similarity": -1.02904, "FDA_Category_X_Structural_Similarity": -0.45159, "FDA_Category_X_Weighted_Contribution": -0.908033, "FDA_Category_X_Top_Rank": -0.0890875, "FDA_Category_D_and_X_L1000_Similarity": -0.301015, "FDA_Category_D_and_X_Structural_Similarity": -0.809862, "FDA_Category_D_and_X_Weighted_Contribution": -0.879879, "FDA_Category_D_and_X_Top_Rank": -0.0942013, "Placenta_Crossing_L1000_Similarity": -0.381922, "Placenta_Crossing_Structural_Similarity": 0.251623, "Placenta_Crossing_Weighted_Contribution": -0.0821124, "Placenta_Crossing_Top_Rank": -0.0764834, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6334600": { "type": "Drug", "properties": { "id": "CID:6334600", "label": "hyoscyamine", "lsm": "LSM-1806", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6334600", "smiles": "CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1", "IDG_ID": "1402", "FDA_Category_D_L1000_Similarity": 1.34772, "FDA_Category_D_Structural_Similarity": 1.85492, "FDA_Category_D_Weighted_Contribution": 2.60891, "FDA_Category_D_Top_Rank": 0.0259103, "FDA_Category_X_L1000_Similarity": -0.548508, "FDA_Category_X_Structural_Similarity": 0.548314, "FDA_Category_X_Weighted_Contribution": 0.146818, "FDA_Category_X_Top_Rank": -0.0596901, "FDA_Category_D_and_X_L1000_Similarity": 0.995176, "FDA_Category_D_and_X_Structural_Similarity": 1.76814, "FDA_Category_D_and_X_Weighted_Contribution": 2.23683, "FDA_Category_D_and_X_Top_Rank": 0.0122548, "Placenta_Crossing_L1000_Similarity": 1.23764, "Placenta_Crossing_Structural_Similarity": 1.36194, "Placenta_Crossing_Weighted_Contribution": 1.92125, "Placenta_Crossing_Top_Rank": -0.0290834, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:637858": { "type": "Drug", "properties": { "id": "CID:637858", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID637858", "label": "piperlongumine", "FDA_Category_D_L1000_Similarity": -1.95009, "FDA_Category_D_Structural_Similarity": 0.389094, "FDA_Category_D_Weighted_Contribution": -0.726832, "FDA_Category_D_Top_Rank": -0.07469, "FDA_Category_X_L1000_Similarity": -1.0048, "FDA_Category_X_Structural_Similarity": -0.65724, "FDA_Category_X_Weighted_Contribution": -1.03309, "FDA_Category_X_Top_Rank": -0.0912758, "FDA_Category_D_and_X_L1000_Similarity": -1.98615, "FDA_Category_D_and_X_Structural_Similarity": -0.0458145, "FDA_Category_D_and_X_Weighted_Contribution": -0.989392, "FDA_Category_D_and_X_Top_Rank": -0.0871948, "Placenta_Crossing_L1000_Similarity": -1.15973, "Placenta_Crossing_Structural_Similarity": -0.748792, "Placenta_Crossing_Weighted_Contribution": -1.09788, "Placenta_Crossing_Top_Rank": -0.0915021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O", "InChI_key": "VABYUUZNAVQNPG-BQYQJAHWSA-N" } }, "CID:6435415": { "type": "Drug", "properties": { "id": "CID:6435415", "label": "cilastatin", "lsm": "LSM-1894", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6435415", "IDG_ID": "640", "FDA_Category_D_L1000_Similarity": 1.08429, "FDA_Category_D_Structural_Similarity": -0.647061, "FDA_Category_D_Weighted_Contribution": -0.124474, "FDA_Category_D_Top_Rank": -0.0596946, "FDA_Category_X_L1000_Similarity": 0.0146291, "FDA_Category_X_Structural_Similarity": 0.833432, "FDA_Category_X_Weighted_Contribution": 0.753004, "FDA_Category_X_Top_Rank": -0.0486959, "FDA_Category_D_and_X_L1000_Similarity": 0.939111, "FDA_Category_D_and_X_Structural_Similarity": -0.0638645, "FDA_Category_D_and_X_Weighted_Contribution": 0.303065, "FDA_Category_D_and_X_Top_Rank": -0.0723872, "Placenta_Crossing_L1000_Similarity": 1.10997, "Placenta_Crossing_Structural_Similarity": -0.496431, "Placenta_Crossing_Weighted_Contribution": -0.0740784, "Placenta_Crossing_Top_Rank": -0.066248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C", "InChI_key": "DHSUYTOATWAVLW-WFVMDLQDSA-N" } }, "CID:65457": { "type": "Drug", "properties": { "id": "CID:65457", "label": "2-amino-5-bromo-6-phenylpyrimidin-4-ol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65457", "IDG_ID": "3689", "FDA_Category_D_L1000_Similarity": -0.945948, "FDA_Category_D_Structural_Similarity": 0.829133, "FDA_Category_D_Weighted_Contribution": 0.147199, "FDA_Category_D_Top_Rank": -0.0593636, "FDA_Category_X_L1000_Similarity": 0.678294, "FDA_Category_X_Structural_Similarity": 1.20794, "FDA_Category_X_Weighted_Contribution": 1.55462, "FDA_Category_X_Top_Rank": -0.0276734, "FDA_Category_D_and_X_L1000_Similarity": -0.609431, "FDA_Category_D_and_X_Structural_Similarity": 1.30989, "FDA_Category_D_and_X_Weighted_Contribution": 0.823102, "FDA_Category_D_and_X_Top_Rank": -0.0306366, "Placenta_Crossing_L1000_Similarity": 0.422331, "Placenta_Crossing_Structural_Similarity": 0.627022, "Placenta_Crossing_Weighted_Contribution": 0.695391, "Placenta_Crossing_Top_Rank": -0.0655092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)Br", "InChI_key": "CIUUIPMOFZIWIZ-UHFFFAOYSA-N" } }, "CID:6560153": { "type": "Drug", "properties": { "id": "CID:6560153", "label": "penicillin", "lsm": "LSM-5173", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6560153", "FDA_Category_D_L1000_Similarity": 0.171305, "FDA_Category_D_Structural_Similarity": -0.0802814, "FDA_Category_D_Weighted_Contribution": -0.0950409, "FDA_Category_D_Top_Rank": -0.087069, "FDA_Category_X_L1000_Similarity": 0.699725, "FDA_Category_X_Structural_Similarity": -0.264243, "FDA_Category_X_Weighted_Contribution": -0.0397725, "FDA_Category_X_Top_Rank": -0.0791511, "FDA_Category_D_and_X_L1000_Similarity": 0.360154, "FDA_Category_D_and_X_Structural_Similarity": -0.206305, "FDA_Category_D_and_X_Weighted_Contribution": -0.137218, "FDA_Category_D_and_X_Top_Rank": -0.0880689, "Placenta_Crossing_L1000_Similarity": 0.667506, "Placenta_Crossing_Structural_Similarity": 7.60443, "Placenta_Crossing_Weighted_Contribution": 4.37997, "Placenta_Crossing_Top_Rank": 8.92629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:656665": { "type": "Drug", "properties": { "id": "CID:656665", "label": "tropisetron", "lsm": "LSM-1813", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/656665", "IDG_ID": "2775", "FDA_Category_D_L1000_Similarity": 1.72074, "FDA_Category_D_Structural_Similarity": 3.87384, "FDA_Category_D_Weighted_Contribution": 3.96353, "FDA_Category_D_Top_Rank": 0.476905, "FDA_Category_X_L1000_Similarity": 1.05569, "FDA_Category_X_Structural_Similarity": 0.486581, "FDA_Category_X_Weighted_Contribution": 0.948411, "FDA_Category_X_Top_Rank": -0.0625879, "FDA_Category_D_and_X_L1000_Similarity": 1.8039, "FDA_Category_D_and_X_Structural_Similarity": 3.33728, "FDA_Category_D_and_X_Weighted_Contribution": 3.65741, "FDA_Category_D_and_X_Top_Rank": 0.310038, "Placenta_Crossing_L1000_Similarity": 1.80176, "Placenta_Crossing_Structural_Similarity": 1.04624, "Placenta_Crossing_Weighted_Contribution": 1.89081, "Placenta_Crossing_Top_Rank": 0.000483696, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)c3c[nH]c4ccccc34", "InChI_key": "ZNRGQMMCGHDTEI-ITGUQSILSA-N" } }, "CID:656731": { "type": "Drug", "properties": { "id": "CID:656731", "label": "chromanol", "lsm": "LSM-1847", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/656731", "FDA_Category_D_L1000_Similarity": 0.190227, "FDA_Category_D_Structural_Similarity": 0.912203, "FDA_Category_D_Weighted_Contribution": 0.92643, "FDA_Category_D_Top_Rank": -0.0547952, "FDA_Category_X_L1000_Similarity": 1.82034, "FDA_Category_X_Structural_Similarity": 0.470525, "FDA_Category_X_Weighted_Contribution": 1.3657, "FDA_Category_X_Top_Rank": -0.0162239, "FDA_Category_D_and_X_L1000_Similarity": 0.716788, "FDA_Category_D_and_X_Structural_Similarity": 0.977921, "FDA_Category_D_and_X_Weighted_Contribution": 1.26235, "FDA_Category_D_and_X_Top_Rank": -0.0544247, "Placenta_Crossing_L1000_Similarity": 1.33759, "Placenta_Crossing_Structural_Similarity": 1.14571, "Placenta_Crossing_Weighted_Contribution": 1.74904, "Placenta_Crossing_Top_Rank": -0.0429036, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCS(=O)(=O)N(C)C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O", "InChI_key": "HVSJHHXUORMCGK-UHFFFAOYSA-N" } }, "CID:6575": { "type": "Drug", "properties": { "id": "CID:6575", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6575", "label": "trichloroethylene", "FDA_Category_D_L1000_Similarity": 1.25122, "FDA_Category_D_Structural_Similarity": -0.854637, "FDA_Category_D_Weighted_Contribution": -0.223057, "FDA_Category_D_Top_Rank": -0.0438709, "FDA_Category_X_L1000_Similarity": 1.25507, "FDA_Category_X_Structural_Similarity": -0.749135, "FDA_Category_X_Weighted_Contribution": -0.235067, "FDA_Category_X_Top_Rank": -0.0614929, "FDA_Category_D_and_X_L1000_Similarity": 1.45972, "FDA_Category_D_and_X_Structural_Similarity": -1.08257, "FDA_Category_D_and_X_Weighted_Contribution": -0.360104, "FDA_Category_D_and_X_Top_Rank": -0.0285705, "Placenta_Crossing_L1000_Similarity": 0.804575, "Placenta_Crossing_Structural_Similarity": -1.12874, "Placenta_Crossing_Weighted_Contribution": -0.714101, "Placenta_Crossing_Top_Rank": -0.0762159, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(=C(Cl)Cl)Cl", "InChI_key": "XSTXAVWGXDQKEL-UHFFFAOYSA-N" } }, "CID:6603820": { "type": "Drug", "properties": { "id": "CID:6603820", "label": "dihydrexidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6603820", "FDA_Category_D_L1000_Similarity": 0.957149, "FDA_Category_D_Structural_Similarity": 0.428189, "FDA_Category_D_Weighted_Contribution": 0.888552, "FDA_Category_D_Top_Rank": -0.0679671, "FDA_Category_X_L1000_Similarity": -0.817274, "FDA_Category_X_Structural_Similarity": 0.528281, "FDA_Category_X_Weighted_Contribution": -0.00722212, "FDA_Category_X_Top_Rank": -0.0607671, "FDA_Category_D_and_X_L1000_Similarity": 0.576883, "FDA_Category_D_and_X_Structural_Similarity": 0.624918, "FDA_Category_D_and_X_Weighted_Contribution": 0.801999, "FDA_Category_D_and_X_Top_Rank": -0.0698533, "Placenta_Crossing_L1000_Similarity": 1.53655, "Placenta_Crossing_Structural_Similarity": 0.0687233, "Placenta_Crossing_Weighted_Contribution": 0.702728, "Placenta_Crossing_Top_Rank": -0.0361587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC(=C(C=C2C3C1NCC4=CC=CC=C34)O)O", "InChI_key": "BGOQGUHWXBGXJW-RHSMWYFYSA-N" } }, "CID:6603931": { "type": "Drug", "properties": { "id": "CID:6603931", "label": "mrs-1754", "lsm": "LSM-3616", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6603931", "FDA_Category_D_L1000_Similarity": 0.952613, "FDA_Category_D_Structural_Similarity": 0.395771, "FDA_Category_D_Weighted_Contribution": 0.850592, "FDA_Category_D_Top_Rank": -0.0684135, "FDA_Category_X_L1000_Similarity": -0.370767, "FDA_Category_X_Structural_Similarity": 0.695254, "FDA_Category_X_Weighted_Contribution": 0.392091, "FDA_Category_X_Top_Rank": -0.0542933, "FDA_Category_D_and_X_L1000_Similarity": 0.708578, "FDA_Category_D_and_X_Structural_Similarity": 0.689285, "FDA_Category_D_and_X_Weighted_Contribution": 0.94863, "FDA_Category_D_and_X_Top_Rank": -0.0675119, "Placenta_Crossing_L1000_Similarity": 0.922457, "Placenta_Crossing_Structural_Similarity": 0.527812, "Placenta_Crossing_Weighted_Contribution": 0.859579, "Placenta_Crossing_Top_Rank": -0.0687855, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N", "InChI_key": "AJBBEYXFRYFVNM-UHFFFAOYSA-N" } }, "CID:6604926": { "type": "Drug", "properties": { "id": "CID:6604926", "label": "sb-334867", "lsm": "LSM-2924", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604926", "FDA_Category_D_L1000_Similarity": 0.288945, "FDA_Category_D_Structural_Similarity": 0.319226, "FDA_Category_D_Weighted_Contribution": 0.360298, "FDA_Category_D_Top_Rank": -0.0766934, "FDA_Category_X_L1000_Similarity": -0.051751, "FDA_Category_X_Structural_Similarity": -0.699056, "FDA_Category_X_Weighted_Contribution": -0.736859, "FDA_Category_X_Top_Rank": -0.0879442, "FDA_Category_D_and_X_L1000_Similarity": 0.233359, "FDA_Category_D_and_X_Structural_Similarity": -0.123834, "FDA_Category_D_and_X_Weighted_Contribution": -0.12706, "FDA_Category_D_and_X_Top_Rank": -0.0888271, "Placenta_Crossing_L1000_Similarity": 0.002423, "Placenta_Crossing_Structural_Similarity": -0.898854, "Placenta_Crossing_Weighted_Contribution": -0.834818, "Placenta_Crossing_Top_Rank": -0.0883467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4", "InChI_key": "AKMNUCBQGHFICM-UHFFFAOYSA-N" } }, "CID:6604928": { "type": "Drug", "properties": { "id": "CID:6604928", "label": "gs-39783", "lsm": "LSM-3686", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604928", "FDA_Category_D_L1000_Similarity": -0.33657, "FDA_Category_D_Structural_Similarity": 0.897716, "FDA_Category_D_Weighted_Contribution": 0.580369, "FDA_Category_D_Top_Rank": -0.0557132, "FDA_Category_X_L1000_Similarity": -0.413098, "FDA_Category_X_Structural_Similarity": -0.760852, "FDA_Category_X_Weighted_Contribution": -0.908736, "FDA_Category_X_Top_Rank": -0.0897291, "FDA_Category_D_and_X_L1000_Similarity": -0.415579, "FDA_Category_D_and_X_Structural_Similarity": 0.301977, "FDA_Category_D_and_X_Weighted_Contribution": -0.0711982, "FDA_Category_D_and_X_Top_Rank": -0.0793556, "Placenta_Crossing_L1000_Similarity": 0.185303, "Placenta_Crossing_Structural_Similarity": -0.0172683, "Placenta_Crossing_Weighted_Contribution": -0.0648489, "Placenta_Crossing_Top_Rank": -0.0826583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3", "InChI_key": "GSGVDKOCBKBMGG-UHFFFAOYSA-N" } }, "CID:6610310": { "type": "Drug", "properties": { "id": "CID:6610310", "label": "mbcq", "lsm": "LSM-3445", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610310", "FDA_Category_D_L1000_Similarity": -0.0720806, "FDA_Category_D_Structural_Similarity": 0.127672, "FDA_Category_D_Weighted_Contribution": -0.0343675, "FDA_Category_D_Top_Rank": -0.0818241, "FDA_Category_X_L1000_Similarity": -0.208275, "FDA_Category_X_Structural_Similarity": -0.113472, "FDA_Category_X_Weighted_Contribution": -0.322298, "FDA_Category_X_Top_Rank": -0.0826484, "FDA_Category_D_and_X_L1000_Similarity": -0.125385, "FDA_Category_D_and_X_Structural_Similarity": 0.0401058, "FDA_Category_D_and_X_Weighted_Contribution": -0.160075, "FDA_Category_D_and_X_Top_Rank": -0.0854786, "Placenta_Crossing_L1000_Similarity": -0.768267, "Placenta_Crossing_Structural_Similarity": -0.205828, "Placenta_Crossing_Weighted_Contribution": -0.623667, "Placenta_Crossing_Top_Rank": -0.0860029, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)Cl", "InChI_key": "CNODHOSDWZLJGA-UHFFFAOYSA-N" } }, "CID:66558664": { "type": "Drug", "properties": { "id": "CID:66558664", "label": "tazemetostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/66558664", "FDA_Category_D_L1000_Similarity": -0.500018, "FDA_Category_D_Structural_Similarity": 0.303127, "FDA_Category_D_Weighted_Contribution": -0.103955, "FDA_Category_D_Top_Rank": -0.0771245, "FDA_Category_X_L1000_Similarity": 0.563044, "FDA_Category_X_Structural_Similarity": -0.222417, "FDA_Category_X_Weighted_Contribution": -0.0654598, "FDA_Category_X_Top_Rank": -0.0815643, "FDA_Category_D_and_X_L1000_Similarity": -0.260035, "FDA_Category_D_and_X_Structural_Similarity": 0.12058, "FDA_Category_D_and_X_Weighted_Contribution": -0.155657, "FDA_Category_D_and_X_Top_Rank": -0.0835064, "Placenta_Crossing_L1000_Similarity": 0.00518544, "Placenta_Crossing_Structural_Similarity": 1.65621, "Placenta_Crossing_Weighted_Contribution": 1.57372, "Placenta_Crossing_Top_Rank": -0.0067055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5", "InChI_key": "NSQSAUGJQHDYNO-UHFFFAOYSA-N" } }, "CID:6675804": { "type": "Drug", "properties": { "id": "CID:6675804", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6675804", "label": "tubacin", "FDA_Category_D_L1000_Similarity": -0.799516, "FDA_Category_D_Structural_Similarity": 1.14021, "FDA_Category_D_Weighted_Contribution": 0.550303, "FDA_Category_D_Top_Rank": -0.0435635, "FDA_Category_X_L1000_Similarity": -0.742316, "FDA_Category_X_Structural_Similarity": -0.592213, "FDA_Category_X_Weighted_Contribution": -0.90611, "FDA_Category_X_Top_Rank": -0.0907395, "FDA_Category_D_and_X_L1000_Similarity": -0.914623, "FDA_Category_D_and_X_Structural_Similarity": 0.585442, "FDA_Category_D_and_X_Weighted_Contribution": -0.0678217, "FDA_Category_D_and_X_Top_Rank": -0.0713902, "Placenta_Crossing_L1000_Similarity": -0.519405, "Placenta_Crossing_Structural_Similarity": -0.696865, "Placenta_Crossing_Weighted_Contribution": -0.87553, "Placenta_Crossing_Top_Rank": -0.090846, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6", "InChI_key": "BHUZLJOUHMBZQY-YXQOSMAKSA-N" } }, "CID:67077825": { "type": "Drug", "properties": { "id": "CID:67077825", "label": "azd-7762", "lsm": "LSM-1006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67077825", "FDA_Category_D_L1000_Similarity": -0.637893, "FDA_Category_D_Structural_Similarity": 1.53751, "FDA_Category_D_Weighted_Contribution": 1.07941, "FDA_Category_D_Top_Rank": -0.0127007, "FDA_Category_X_L1000_Similarity": -1.22227, "FDA_Category_X_Structural_Similarity": -0.645085, "FDA_Category_X_Weighted_Contribution": -1.09164, "FDA_Category_X_Top_Rank": -0.0915106, "FDA_Category_D_and_X_L1000_Similarity": -0.921055, "FDA_Category_D_and_X_Structural_Similarity": 0.872259, "FDA_Category_D_and_X_Weighted_Contribution": 0.198509, "FDA_Category_D_and_X_Top_Rank": -0.0598064, "Placenta_Crossing_L1000_Similarity": -1.10773, "Placenta_Crossing_Structural_Similarity": 0.19775, "Placenta_Crossing_Weighted_Contribution": -0.444918, "Placenta_Crossing_Top_Rank": -0.0777922, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N", "InChI_key": "IAYGCINLNONXHY-GFCCVEGCSA-N" } }, "CID:6708762": { "type": "Drug", "properties": { "id": "CID:6708762", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6708762", "label": "periplocymarin", "FDA_Category_D_L1000_Similarity": -1.2886, "FDA_Category_D_Structural_Similarity": 0.358351, "FDA_Category_D_Weighted_Contribution": -0.455493, "FDA_Category_D_Top_Rank": -0.0754175, "FDA_Category_X_L1000_Similarity": -3.52208, "FDA_Category_X_Structural_Similarity": 0.671961, "FDA_Category_X_Weighted_Contribution": -0.989369, "FDA_Category_X_Top_Rank": -0.0550879, "FDA_Category_D_and_X_L1000_Similarity": -2.18038, "FDA_Category_D_and_X_Structural_Similarity": 0.647016, "FDA_Category_D_and_X_Weighted_Contribution": -0.603445, "FDA_Category_D_and_X_Top_Rank": -0.0691479, "Placenta_Crossing_L1000_Similarity": -2.4484, "Placenta_Crossing_Structural_Similarity": 0.944259, "Placenta_Crossing_Weighted_Contribution": -0.390945, "Placenta_Crossing_Top_Rank": -0.0527855, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O", "InChI_key": "XRWQBDJPMXRDOQ-IDULJFIXSA-N" } }, "CID:6710736": { "type": "Drug", "properties": { "id": "CID:6710736", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6710736", "label": "Troxerutin", "FDA_Category_D_L1000_Similarity": 0.637866, "FDA_Category_D_Structural_Similarity": 0.0799093, "FDA_Category_D_Weighted_Contribution": 0.324727, "FDA_Category_D_Top_Rank": -0.0815275, "FDA_Category_X_L1000_Similarity": -0.775084, "FDA_Category_X_Structural_Similarity": 0.280742, "FDA_Category_X_Weighted_Contribution": -0.222238, "FDA_Category_X_Top_Rank": -0.0705223, "FDA_Category_D_and_X_L1000_Similarity": 0.314473, "FDA_Category_D_and_X_Structural_Similarity": 0.214912, "FDA_Category_D_and_X_Weighted_Contribution": 0.232835, "FDA_Category_D_and_X_Top_Rank": -0.0813184, "Placenta_Crossing_L1000_Similarity": 0.30024, "Placenta_Crossing_Structural_Similarity": 7.76746e-05, "Placenta_Crossing_Weighted_Contribution": 0.00521888, "Placenta_Crossing_Top_Rank": -0.0823532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:67243342": { "type": "Drug", "properties": { "id": "CID:67243342", "label": "tul-xix029", "lsm": "LSM-29355", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67243342", "FDA_Category_D_L1000_Similarity": 0.171049, "FDA_Category_X_L1000_Similarity": 0.578511, "FDA_Category_D_and_X_L1000_Similarity": 0.323125, "Placenta_Crossing_L1000_Similarity": 0.740759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCC(C3)N", "InChI_key": "LEVLNVWBEBXEIX-GFCCVEGCSA-N" } }, "CID:6738": { "type": "Drug", "properties": { "id": "CID:6738", "label": "hydroxytoluic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6738", "FDA_Category_D_L1000_Similarity": -1.16305, "FDA_Category_D_Structural_Similarity": -0.642464, "FDA_Category_D_Weighted_Contribution": -1.08778, "FDA_Category_D_Top_Rank": -0.0954175, "FDA_Category_X_L1000_Similarity": -0.224886, "FDA_Category_X_Structural_Similarity": -0.636573, "FDA_Category_X_Weighted_Contribution": -0.754737, "FDA_Category_X_Top_Rank": -0.0889232, "FDA_Category_D_and_X_L1000_Similarity": -1.07086, "FDA_Category_D_and_X_Structural_Similarity": -0.853424, "FDA_Category_D_and_X_Weighted_Contribution": -1.14987, "FDA_Category_D_and_X_Top_Rank": -0.0962018, "Placenta_Crossing_L1000_Similarity": -0.509401, "Placenta_Crossing_Structural_Similarity": -0.373567, "Placenta_Crossing_Weighted_Contribution": -0.650458, "Placenta_Crossing_Top_Rank": -0.0884215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6759": { "type": "Drug", "properties": { "id": "CID:6759", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6759", "label": "Riboflavin", "FDA_Category_D_L1000_Similarity": 1.13952, "FDA_Category_X_L1000_Similarity": 0.771361, "FDA_Category_D_and_X_L1000_Similarity": 1.21654, "Placenta_Crossing_L1000_Similarity": 1.27257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:681615": { "type": "Drug", "properties": { "id": "CID:681615", "label": "KDM-096", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/681615", "FDA_Category_D_L1000_Similarity": 0.515922, "FDA_Category_D_Structural_Similarity": -0.506742, "FDA_Category_D_Weighted_Contribution": -0.295233, "FDA_Category_D_Top_Rank": -0.084925, "FDA_Category_X_L1000_Similarity": 0.738802, "FDA_Category_X_Structural_Similarity": -0.431181, "FDA_Category_X_Weighted_Contribution": -0.17998, "FDA_Category_X_Top_Rank": -0.0783051, "FDA_Category_D_and_X_L1000_Similarity": 0.669099, "FDA_Category_D_and_X_Structural_Similarity": -0.634871, "FDA_Category_D_and_X_Weighted_Contribution": -0.356393, "FDA_Category_D_and_X_Top_Rank": -0.0819953, "Placenta_Crossing_L1000_Similarity": 0.00778128, "Placenta_Crossing_Structural_Similarity": -0.872436, "Placenta_Crossing_Weighted_Contribution": -0.815545, "Placenta_Crossing_Top_Rank": -0.0882968, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:68634": { "type": "Drug", "properties": { "id": "CID:68634", "label": "oxiperomide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68634", "FDA_Category_D_L1000_Similarity": -0.488536, "FDA_Category_D_Structural_Similarity": 0.43726, "FDA_Category_D_Weighted_Contribution": 0.0275962, "FDA_Category_D_Top_Rank": -0.073239, "FDA_Category_X_L1000_Similarity": 0.811626, "FDA_Category_X_Structural_Similarity": 1.15062, "FDA_Category_X_Weighted_Contribution": 1.56528, "FDA_Category_X_Top_Rank": -0.0326698, "FDA_Category_D_and_X_L1000_Similarity": -0.174654, "FDA_Category_D_and_X_Structural_Similarity": 0.967926, "FDA_Category_D_and_X_Weighted_Contribution": 0.719614, "FDA_Category_D_and_X_Top_Rank": -0.0551146, "Placenta_Crossing_L1000_Similarity": -0.926912, "Placenta_Crossing_Structural_Similarity": -0.654722, "Placenta_Crossing_Weighted_Contribution": -0.977275, "Placenta_Crossing_Top_Rank": -0.090957, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6918314": { "type": "Drug", "properties": { "id": "CID:6918314", "label": "vilazodone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918314", "IDG_ID": "4223", "FDA_Category_D_L1000_Similarity": 1.43745, "FDA_Category_D_Structural_Similarity": 1.87329, "FDA_Category_D_Weighted_Contribution": 2.67224, "FDA_Category_D_Top_Rank": 0.0291809, "FDA_Category_X_L1000_Similarity": 1.70809, "FDA_Category_X_Structural_Similarity": 0.547623, "FDA_Category_X_Weighted_Contribution": 1.38958, "FDA_Category_X_Top_Rank": -0.0295371, "FDA_Category_D_and_X_L1000_Similarity": 1.75782, "FDA_Category_D_and_X_Structural_Similarity": 1.78235, "FDA_Category_D_and_X_Weighted_Contribution": 2.63815, "FDA_Category_D_and_X_Top_Rank": 0.0248374, "Placenta_Crossing_L1000_Similarity": 0.259099, "Placenta_Crossing_Structural_Similarity": 0.647537, "Placenta_Crossing_Weighted_Contribution": 0.629887, "Placenta_Crossing_Top_Rank": -0.0648808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N", "InChI_key": "SGEGOXDYSFKCPT-UHFFFAOYSA-N" } }, "CID:6918456": { "type": "Drug", "properties": { "id": "CID:6918456", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918456", "label": "prasugrel", "FDA_Category_D_L1000_Similarity": 1.05488, "FDA_Category_D_Structural_Similarity": 1.28191, "FDA_Category_D_Weighted_Contribution": 1.87619, "FDA_Category_D_Top_Rank": -0.0357329, "FDA_Category_X_L1000_Similarity": 0.545262, "FDA_Category_X_Structural_Similarity": 2.69873, "FDA_Category_X_Weighted_Contribution": 3.01107, "FDA_Category_X_Top_Rank": 0.143967, "FDA_Category_D_and_X_L1000_Similarity": 1.07491, "FDA_Category_D_and_X_Structural_Similarity": 2.47369, "FDA_Category_D_and_X_Weighted_Contribution": 2.88951, "FDA_Category_D_and_X_Top_Rank": 0.103498, "Placenta_Crossing_L1000_Similarity": 1.30465, "Placenta_Crossing_Structural_Similarity": 1.28034, "Placenta_Crossing_Weighted_Contribution": 1.8721, "Placenta_Crossing_Top_Rank": -0.0340938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4", "InChI_key": "DTGLZDAWLRGWQN-UHFFFAOYSA-N" } }, "CID:6918508": { "type": "Drug", "properties": { "id": "CID:6918508", "label": "falnidamol", "lsm": "LSM-3584", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918508", "FDA_Category_D_L1000_Similarity": 0.348183, "FDA_Category_D_Structural_Similarity": -0.507268, "FDA_Category_D_Weighted_Contribution": -0.379066, "FDA_Category_D_Top_Rank": -0.0880281, "FDA_Category_X_L1000_Similarity": 2.31604, "FDA_Category_X_Structural_Similarity": -0.58261, "FDA_Category_X_Weighted_Contribution": 0.463335, "FDA_Category_X_Top_Rank": 0.081482, "FDA_Category_D_and_X_L1000_Similarity": 1.00347, "FDA_Category_D_and_X_Structural_Similarity": -0.716999, "FDA_Category_D_and_X_Weighted_Contribution": -0.268025, "FDA_Category_D_and_X_Top_Rank": -0.0689264, "Placenta_Crossing_L1000_Similarity": 0.233727, "Placenta_Crossing_Structural_Similarity": 1.03184, "Placenta_Crossing_Weighted_Contribution": 1.02569, "Placenta_Crossing_Top_Rank": -0.0485579, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl", "InChI_key": "FTFRZXFNZVCRSK-UHFFFAOYSA-N" } }, "CID:6918509": { "type": "Drug", "properties": { "id": "CID:6918509", "label": "olcegepant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918509", "FDA_Category_D_L1000_Similarity": 0.567221, "FDA_Category_D_Structural_Similarity": -0.00362133, "FDA_Category_D_Weighted_Contribution": 0.199654, "FDA_Category_D_Top_Rank": -0.0835531, "FDA_Category_X_L1000_Similarity": 0.629632, "FDA_Category_X_Structural_Similarity": 0.328774, "FDA_Category_X_Weighted_Contribution": 0.536288, "FDA_Category_X_Top_Rank": -0.0685411, "FDA_Category_D_and_X_L1000_Similarity": 0.680162, "FDA_Category_D_and_X_Structural_Similarity": 0.174531, "FDA_Category_D_and_X_Weighted_Contribution": 0.396183, "FDA_Category_D_and_X_Top_Rank": -0.0816741, "Placenta_Crossing_L1000_Similarity": 0.316353, "Placenta_Crossing_Structural_Similarity": 0.458875, "Placenta_Crossing_Weighted_Contribution": 0.464335, "Placenta_Crossing_Top_Rank": -0.0707137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6", "InChI_key": "ITIXDWVDFFXNEG-JHOUSYSJSA-N" } }, "CID:70680401": { "type": "Drug", "properties": { "id": "CID:70680401", "label": "MW-SHH-250", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680401", "FDA_Category_D_L1000_Similarity": 1.91567, "FDA_Category_D_Structural_Similarity": -0.752995, "FDA_Category_D_Weighted_Contribution": 0.239637, "FDA_Category_D_Top_Rank": 0.130298, "FDA_Category_X_L1000_Similarity": 1.78343, "FDA_Category_X_Structural_Similarity": -0.285216, "FDA_Category_X_Weighted_Contribution": 0.49661, "FDA_Category_X_Top_Rank": -0.021742, "FDA_Category_D_and_X_L1000_Similarity": 2.19294, "FDA_Category_D_and_X_Structural_Similarity": -0.751564, "FDA_Category_D_and_X_Weighted_Contribution": 0.318098, "FDA_Category_D_and_X_Top_Rank": 0.212442, "Placenta_Crossing_L1000_Similarity": 1.76933, "Placenta_Crossing_Structural_Similarity": 1.27549, "Placenta_Crossing_Weighted_Contribution": 2.10708, "Placenta_Crossing_Top_Rank": -0.00512856, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70680405": { "type": "Drug", "properties": { "id": "CID:70680405", "label": "MW-SHH-151", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680405", "FDA_Category_D_L1000_Similarity": -0.363667, "FDA_Category_D_Structural_Similarity": -0.182072, "FDA_Category_D_Weighted_Contribution": -0.454517, "FDA_Category_D_Top_Rank": -0.0891429, "FDA_Category_X_L1000_Similarity": 1.0279, "FDA_Category_X_Structural_Similarity": -0.546921, "FDA_Category_X_Weighted_Contribution": -0.152909, "FDA_Category_X_Top_Rank": -0.070633, "FDA_Category_D_and_X_L1000_Similarity": -0.00132348, "FDA_Category_D_and_X_Structural_Similarity": -0.439629, "FDA_Category_D_and_X_Weighted_Contribution": -0.501105, "FDA_Category_D_and_X_Top_Rank": -0.0922074, "Placenta_Crossing_L1000_Similarity": 0.256971, "Placenta_Crossing_Structural_Similarity": -0.104356, "Placenta_Crossing_Weighted_Contribution": -0.111075, "Placenta_Crossing_Top_Rank": -0.084269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70680406": { "type": "Drug", "properties": { "id": "CID:70680406", "label": "MW-SHH-61", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680406", "FDA_Category_D_L1000_Similarity": 0.844446, "FDA_Category_D_Structural_Similarity": 0.586897, "FDA_Category_D_Weighted_Contribution": 0.989297, "FDA_Category_D_Top_Rank": -0.0678157, "FDA_Category_X_L1000_Similarity": -0.00916174, "FDA_Category_X_Structural_Similarity": 0.0502946, "FDA_Category_X_Weighted_Contribution": -0.0785613, "FDA_Category_X_Top_Rank": -0.0785793, "FDA_Category_D_and_X_L1000_Similarity": 0.725148, "FDA_Category_D_and_X_Structural_Similarity": 0.492967, "FDA_Category_D_and_X_Weighted_Contribution": 0.750531, "FDA_Category_D_and_X_Top_Rank": -0.0740878, "Placenta_Crossing_L1000_Similarity": 1.19625, "Placenta_Crossing_Structural_Similarity": 0.250406, "Placenta_Crossing_Weighted_Contribution": 0.712282, "Placenta_Crossing_Top_Rank": -0.0619853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7073234": { "type": "Drug", "properties": { "id": "CID:7073234", "label": "catharanthine", "lsm": "LSM-5339", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7073234", "FDA_Category_D_L1000_Similarity": -0.440398, "FDA_Category_D_Structural_Similarity": -0.188663, "FDA_Category_D_Weighted_Contribution": -0.495923, "FDA_Category_D_Top_Rank": -0.0892578, "FDA_Category_X_L1000_Similarity": -0.50104, "FDA_Category_X_Structural_Similarity": 0.187257, "FDA_Category_X_Weighted_Contribution": -0.18183, "FDA_Category_X_Top_Rank": -0.0738115, "FDA_Category_D_and_X_L1000_Similarity": -0.53179, "FDA_Category_D_and_X_Structural_Similarity": -0.0487012, "FDA_Category_D_and_X_Weighted_Contribution": -0.427209, "FDA_Category_D_and_X_Top_Rank": -0.0872514, "Placenta_Crossing_L1000_Similarity": -0.372646, "Placenta_Crossing_Structural_Similarity": 0.610799, "Placenta_Crossing_Weighted_Contribution": 0.264909, "Placenta_Crossing_Top_Rank": -0.0663427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7079134": { "type": "Drug", "properties": { "id": "CID:7079134", "label": "jas07-001", "lsm": "LSM-3390", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7079134", "FDA_Category_D_L1000_Similarity": 0.607811, "FDA_Category_D_Structural_Similarity": -0.466976, "FDA_Category_D_Weighted_Contribution": -0.213418, "FDA_Category_D_Top_Rank": -0.082416, "FDA_Category_X_L1000_Similarity": 1.62618, "FDA_Category_X_Structural_Similarity": -0.67094, "FDA_Category_X_Weighted_Contribution": 0.0158328, "FDA_Category_X_Top_Rank": -0.0375466, "FDA_Category_D_and_X_L1000_Similarity": 1.01778, "FDA_Category_D_and_X_Structural_Similarity": -0.732681, "FDA_Category_D_and_X_Weighted_Contribution": -0.274549, "FDA_Category_D_and_X_Top_Rank": -0.0680105, "Placenta_Crossing_L1000_Similarity": 0.511396, "Placenta_Crossing_Structural_Similarity": -1.07987, "Placenta_Crossing_Weighted_Contribution": -0.783252, "Placenta_Crossing_Top_Rank": -0.0827663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5N2)C", "InChI_key": "YWVZSRSKYWCHBZ-SFHVURJKSA-N" } }, "CID:71157": { "type": "Drug", "properties": { "id": "CID:71157", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71157", "label": "nefiracetam", "FDA_Category_D_L1000_Similarity": 0.915956, "FDA_Category_D_Structural_Similarity": 0.0919598, "FDA_Category_D_Weighted_Contribution": 0.504603, "FDA_Category_D_Top_Rank": -0.0706154, "FDA_Category_X_L1000_Similarity": -0.0781924, "FDA_Category_X_Structural_Similarity": -0.442792, "FDA_Category_X_Weighted_Contribution": -0.547508, "FDA_Category_X_Top_Rank": -0.0880938, "FDA_Category_D_and_X_L1000_Similarity": 0.765828, "FDA_Category_D_and_X_Structural_Similarity": -0.165939, "FDA_Category_D_and_X_Weighted_Contribution": 0.109536, "FDA_Category_D_and_X_Top_Rank": -0.078938, "Placenta_Crossing_L1000_Similarity": -0.247444, "Placenta_Crossing_Structural_Similarity": 1.12386, "Placenta_Crossing_Weighted_Contribution": 0.862303, "Placenta_Crossing_Top_Rank": -0.0444477, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O", "InChI_key": "NGHTXZCKLWZPGK-UHFFFAOYSA-N" } }, "CID:71234": { "type": "Drug", "properties": { "id": "CID:71234", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71234", "label": "nicaraven", "FDA_Category_D_L1000_Similarity": 0.394402, "FDA_Category_D_Structural_Similarity": -0.56117, "FDA_Category_D_Weighted_Contribution": -0.401396, "FDA_Category_D_Top_Rank": -0.087295, "FDA_Category_X_L1000_Similarity": 2.14046, "FDA_Category_X_Structural_Similarity": 1.54212, "FDA_Category_X_Weighted_Contribution": 2.68661, "FDA_Category_X_Top_Rank": 0.0402833, "FDA_Category_D_and_X_L1000_Similarity": 0.989992, "FDA_Category_D_and_X_Structural_Similarity": 0.386712, "FDA_Category_D_and_X_Weighted_Contribution": 0.794999, "FDA_Category_D_and_X_Top_Rank": -0.0698341, "Placenta_Crossing_L1000_Similarity": 2.18507, "Placenta_Crossing_Structural_Similarity": -0.119475, "Placenta_Crossing_Weighted_Contribution": 0.852359, "Placenta_Crossing_Top_Rank": 0.100746, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CNC(=O)C1=CN=CC=C1)NC(=O)C2=CN=CC=C2", "InChI_key": "KTXBOOWDLPUROC-UHFFFAOYSA-N" } }, "CID:71481097": { "type": "Drug", "properties": { "id": "CID:71481097", "label": "selinexor", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71481097", "FDA_Category_D_L1000_Similarity": -1.77568, "FDA_Category_D_Structural_Similarity": 0.215932, "FDA_Category_D_Weighted_Contribution": -0.776632, "FDA_Category_D_Top_Rank": -0.0794712, "FDA_Category_X_L1000_Similarity": -2.96077, "FDA_Category_X_Structural_Similarity": 0.45191, "FDA_Category_X_Weighted_Contribution": -0.950007, "FDA_Category_X_Top_Rank": -0.0638353, "FDA_Category_D_and_X_L1000_Similarity": -2.42979, "FDA_Category_D_and_X_Structural_Similarity": 0.415237, "FDA_Category_D_and_X_Weighted_Contribution": -0.859707, "FDA_Category_D_and_X_Top_Rank": -0.0763988, "Placenta_Crossing_L1000_Similarity": -3.66154, "Placenta_Crossing_Structural_Similarity": 0.0174023, "Placenta_Crossing_Weighted_Contribution": -1.33924, "Placenta_Crossing_Top_Rank": -0.0819721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN=C(C=N1)NNC(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F", "InChI_key": "DEVSOMFAQLZNKR-RJRFIUFISA-N" } }, "CID:72390": { "type": "Drug", "properties": { "id": "CID:72390", "label": "oxothiazolidinecarboxylic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72390", "FDA_Category_D_L1000_Similarity": 0.148915, "FDA_Category_D_Structural_Similarity": -0.884327, "FDA_Category_D_Weighted_Contribution": -0.75804, "FDA_Category_D_Top_Rank": -0.0907638, "FDA_Category_X_L1000_Similarity": 2.92611, "FDA_Category_X_Structural_Similarity": -0.707519, "FDA_Category_X_Weighted_Contribution": 0.659874, "FDA_Category_X_Top_Rank": 0.455017, "FDA_Category_D_and_X_L1000_Similarity": 1.01698, "FDA_Category_D_and_X_Structural_Similarity": -1.08368, "FDA_Category_D_and_X_Weighted_Contribution": -0.557283, "FDA_Category_D_and_X_Top_Rank": -0.0680319, "Placenta_Crossing_L1000_Similarity": 1.25414, "Placenta_Crossing_Structural_Similarity": -0.353597, "Placenta_Crossing_Weighted_Contribution": 0.128881, "Placenta_Crossing_Top_Rank": -0.0587299, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(NC(=O)S1)C(=O)O", "InChI_key": "BMLMGCPTLHPWPY-REOHCLBHSA-N" } }, "CID:72894": { "type": "Drug", "properties": { "id": "CID:72894", "label": "2-aminobenzenesulfonamide", "lsm": "LSM-5465", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72894", "FDA_Category_D_L1000_Similarity": 0.103776, "FDA_Category_D_Structural_Similarity": 0.912787, "FDA_Category_D_Weighted_Contribution": 0.872173, "FDA_Category_D_Top_Rank": -0.0547545, "FDA_Category_X_L1000_Similarity": 1.45962, "FDA_Category_X_Structural_Similarity": -0.101346, "FDA_Category_X_Weighted_Contribution": 0.520242, "FDA_Category_X_Top_Rank": -0.0495324, "FDA_Category_D_and_X_L1000_Similarity": 0.532711, "FDA_Category_D_and_X_Structural_Similarity": 0.669806, "FDA_Category_D_and_X_Weighted_Contribution": 0.823268, "FDA_Category_D_and_X_Top_Rank": -0.0683282, "Placenta_Crossing_L1000_Similarity": 0.361197, "Placenta_Crossing_Structural_Similarity": 0.685168, "Placenta_Crossing_Weighted_Contribution": 0.724057, "Placenta_Crossing_Top_Rank": -0.0635043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:729859": { "type": "Drug", "properties": { "id": "CID:729859", "label": "CTB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/729859", "FDA_Category_D_L1000_Similarity": -9.27102e-05, "FDA_Category_D_Structural_Similarity": -0.515684, "FDA_Category_D_Weighted_Contribution": -0.550367, "FDA_Category_D_Top_Rank": -0.0921666, "FDA_Category_X_L1000_Similarity": 1.65163, "FDA_Category_X_Structural_Similarity": -0.0812821, "FDA_Category_X_Weighted_Contribution": 0.647176, "FDA_Category_X_Top_Rank": -0.0350571, "FDA_Category_D_and_X_L1000_Similarity": 0.501482, "FDA_Category_D_and_X_Structural_Similarity": -0.453165, "FDA_Category_D_and_X_Weighted_Contribution": -0.282963, "FDA_Category_D_and_X_Top_Rank": -0.085596, "Placenta_Crossing_L1000_Similarity": 0.14413, "Placenta_Crossing_Structural_Similarity": 1.51596, "Placenta_Crossing_Weighted_Contribution": 1.49907, "Placenta_Crossing_Top_Rank": -0.018697, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73010922": { "type": "Drug", "properties": { "id": "CID:73010922", "label": "ischemin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73010922", "FDA_Category_D_L1000_Similarity": 1.30656, "FDA_Category_D_Structural_Similarity": 0.267122, "FDA_Category_D_Weighted_Contribution": 0.9358, "FDA_Category_D_Top_Rank": -0.0370515, "FDA_Category_X_L1000_Similarity": 0.320088, "FDA_Category_X_Structural_Similarity": 0.492572, "FDA_Category_X_Weighted_Contribution": 0.545963, "FDA_Category_X_Top_Rank": -0.0623087, "FDA_Category_D_and_X_L1000_Similarity": 1.22348, "FDA_Category_D_and_X_Structural_Similarity": 0.477808, "FDA_Category_D_and_X_Weighted_Contribution": 1.03098, "FDA_Category_D_and_X_Top_Rank": -0.053244, "Placenta_Crossing_L1000_Similarity": 1.95629, "Placenta_Crossing_Structural_Similarity": 0.0887243, "Placenta_Crossing_Weighted_Contribution": 0.951132, "Placenta_Crossing_Top_Rank": 0.0340645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73265214": { "type": "Drug", "properties": { "id": "CID:73265214", "label": "ql-xi-92", "lsm": "LSM-5394", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73265214", "FDA_Category_D_L1000_Similarity": -0.0466998, "FDA_Category_X_L1000_Similarity": 2.07804, "FDA_Category_D_and_X_L1000_Similarity": 0.590798, "Placenta_Crossing_L1000_Similarity": 0.377498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C=C)C(F)(F)F)NC(=O)C3=CC=NO3", "InChI_key": "UASQUKUDXJFTCO-UHFFFAOYSA-N" } }, "CID:73438900": { "type": "Drug", "properties": { "id": "CID:73438900", "label": "JS-K", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73438900", "FDA_Category_D_L1000_Similarity": 0.023378, "FDA_Category_D_Structural_Similarity": -0.56981, "FDA_Category_D_Weighted_Contribution": -0.581531, "FDA_Category_D_Top_Rank": -0.09199, "FDA_Category_X_L1000_Similarity": -0.577645, "FDA_Category_X_Structural_Similarity": -0.540331, "FDA_Category_X_Weighted_Contribution": -0.812936, "FDA_Category_X_Top_Rank": -0.0902842, "FDA_Category_D_and_X_L1000_Similarity": -0.155271, "FDA_Category_D_and_X_Structural_Similarity": -0.743826, "FDA_Category_D_and_X_Weighted_Contribution": -0.783783, "FDA_Category_D_and_X_Top_Rank": -0.0933636, "Placenta_Crossing_L1000_Similarity": -0.891072, "Placenta_Crossing_Structural_Similarity": -0.796578, "Placenta_Crossing_Weighted_Contribution": -1.04899, "Placenta_Crossing_Top_Rank": -0.0916567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707346": { "type": "Drug", "properties": { "id": "CID:73707346", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707346", "label": "Pyrvinium", "FDA_Category_D_L1000_Similarity": -2.52883, "FDA_Category_D_Structural_Similarity": -0.245092, "FDA_Category_D_Weighted_Contribution": -1.2912, "FDA_Category_D_Top_Rank": -0.0903736, "FDA_Category_X_L1000_Similarity": -2.35393, "FDA_Category_X_Structural_Similarity": -0.568727, "FDA_Category_X_Weighted_Contribution": -1.35036, "FDA_Category_X_Top_Rank": -0.0907027, "FDA_Category_D_and_X_L1000_Similarity": -2.89475, "FDA_Category_D_and_X_Structural_Similarity": -0.501415, "FDA_Category_D_and_X_Weighted_Contribution": -1.43893, "FDA_Category_D_and_X_Top_Rank": -0.0940207, "Placenta_Crossing_L1000_Similarity": -4.44793, "Placenta_Crossing_Structural_Similarity": -0.285831, "Placenta_Crossing_Weighted_Contribution": -1.58594, "Placenta_Crossing_Top_Rank": -0.0872664, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707350": { "type": "Drug", "properties": { "id": "CID:73707350", "label": "BG-1029", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707350", "FDA_Category_D_L1000_Similarity": -0.680059, "FDA_Category_D_Structural_Similarity": 0.520658, "FDA_Category_D_Weighted_Contribution": 0.000360667, "FDA_Category_D_Top_Rank": -0.0702523, "FDA_Category_X_L1000_Similarity": 0.155504, "FDA_Category_X_Structural_Similarity": -0.57075, "FDA_Category_X_Weighted_Contribution": -0.556461, "FDA_Category_X_Top_Rank": -0.0863718, "FDA_Category_D_and_X_L1000_Similarity": -0.539, "FDA_Category_D_and_X_Structural_Similarity": 0.105279, "FDA_Category_D_and_X_Weighted_Contribution": -0.303933, "FDA_Category_D_and_X_Top_Rank": -0.0839259, "Placenta_Crossing_L1000_Similarity": -0.227204, "Placenta_Crossing_Structural_Similarity": -0.405245, "Placenta_Crossing_Weighted_Contribution": -0.56728, "Placenta_Crossing_Top_Rank": -0.0887753, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707372": { "type": "Drug", "properties": { "id": "CID:73707372", "label": "pp-30", "lsm": "LSM-6238", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707372", "FDA_Category_D_L1000_Similarity": -1.58138, "FDA_Category_D_Structural_Similarity": -0.667401, "FDA_Category_D_Weighted_Contribution": -1.22859, "FDA_Category_D_Top_Rank": -0.0956016, "FDA_Category_X_L1000_Similarity": -0.723154, "FDA_Category_X_Structural_Similarity": -0.609978, "FDA_Category_X_Weighted_Contribution": -0.911616, "FDA_Category_X_Top_Rank": -0.0907047, "FDA_Category_D_and_X_L1000_Similarity": -1.58278, "FDA_Category_D_and_X_Structural_Similarity": -0.858867, "FDA_Category_D_and_X_Weighted_Contribution": -1.28821, "FDA_Category_D_and_X_Top_Rank": -0.096227, "Placenta_Crossing_L1000_Similarity": -2.10548, "Placenta_Crossing_Structural_Similarity": -0.285015, "Placenta_Crossing_Weighted_Contribution": -1.1065, "Placenta_Crossing_Top_Rank": -0.0872619, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC(=CC=C3)C(=O)NC4=NCCC4)N", "InChI_key": "RWRBSEISHUTNQL-UHFFFAOYSA-N" } }, "CID:73707399": { "type": "Drug", "properties": { "id": "CID:73707399", "label": "SA-1458571", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707399", "FDA_Category_D_L1000_Similarity": 0.592954, "FDA_Category_X_L1000_Similarity": 1.04642, "FDA_Category_D_and_X_L1000_Similarity": 0.828902, "Placenta_Crossing_L1000_Similarity": 0.944831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707400": { "type": "Drug", "properties": { "id": "CID:73707400", "label": "SA-1460136", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707400", "FDA_Category_D_L1000_Similarity": 0.0279265, "FDA_Category_D_Structural_Similarity": -0.521806, "FDA_Category_D_Weighted_Contribution": -0.542357, "FDA_Category_D_Top_Rank": -0.0919488, "FDA_Category_X_L1000_Similarity": 1.21612, "FDA_Category_X_Structural_Similarity": -0.134442, "FDA_Category_X_Weighted_Contribution": 0.354345, "FDA_Category_X_Top_Rank": -0.0634441, "FDA_Category_D_and_X_L1000_Similarity": 0.39339, "FDA_Category_D_and_X_Structural_Similarity": -0.486708, "FDA_Category_D_and_X_Weighted_Contribution": -0.361662, "FDA_Category_D_and_X_Top_Rank": -0.0875372, "Placenta_Crossing_L1000_Similarity": 0.91941, "Placenta_Crossing_Structural_Similarity": -0.202234, "Placenta_Crossing_Weighted_Contribution": 0.11114, "Placenta_Crossing_Top_Rank": -0.0731293, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707425": { "type": "Drug", "properties": { "id": "CID:73707425", "label": "guggulsterone", "lsm": "LSM-5093", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707425", "FDA_Category_D_L1000_Similarity": 0.0819054, "FDA_Category_X_L1000_Similarity": 1.986, "FDA_Category_D_and_X_L1000_Similarity": 0.673714, "Placenta_Crossing_L1000_Similarity": 0.742076, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C", "InChI_key": "WDXRGPWQVHZTQJ-SXMNTYMYSA-N" } }, "CID:73707476": { "type": "Drug", "properties": { "id": "CID:73707476", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707476", "label": "Pivampicillin", "FDA_Category_D_L1000_Similarity": 0.530624, "FDA_Category_D_Structural_Similarity": 0.890148, "FDA_Category_D_Weighted_Contribution": 1.11976, "FDA_Category_D_Top_Rank": -0.0561785, "FDA_Category_X_L1000_Similarity": 0.611851, "FDA_Category_X_Structural_Similarity": 0.303018, "FDA_Category_X_Weighted_Contribution": 0.498738, "FDA_Category_X_Top_Rank": -0.0697216, "FDA_Category_D_and_X_L1000_Similarity": 0.64322, "FDA_Category_D_and_X_Structural_Similarity": 0.87003, "FDA_Category_D_and_X_Weighted_Contribution": 1.1026, "FDA_Category_D_and_X_Top_Rank": -0.0600331, "Placenta_Crossing_L1000_Similarity": 0.263823, "Placenta_Crossing_Structural_Similarity": 3.53126, "Placenta_Crossing_Weighted_Contribution": 3.3295, "Placenta_Crossing_Top_Rank": 0.368465, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707528": { "type": "Drug", "properties": { "id": "CID:73707528", "label": "etodolac", "lsm": "LSM-1781", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707528", "FDA_Category_D_L1000_Similarity": 1.59023, "FDA_Category_D_Structural_Similarity": 1.5319, "FDA_Category_D_Weighted_Contribution": 2.44162, "FDA_Category_D_Top_Rank": 0.0117157, "FDA_Category_X_L1000_Similarity": 2.08507, "FDA_Category_X_Structural_Similarity": -0.100931, "FDA_Category_X_Weighted_Contribution": 0.866796, "FDA_Category_X_Top_Rank": 0.0257645, "FDA_Category_D_and_X_L1000_Similarity": 2.004, "FDA_Category_D_and_X_Structural_Similarity": 1.16142, "FDA_Category_D_and_X_Weighted_Contribution": 2.19717, "FDA_Category_D_and_X_Top_Rank": 0.0970208, "Placenta_Crossing_L1000_Similarity": 1.89511, "Placenta_Crossing_Structural_Similarity": 1.84519, "Placenta_Crossing_Weighted_Contribution": 2.69627, "Placenta_Crossing_Top_Rank": 0.0196429, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C=CC=C2C1=NC3=C2CCOC3(CC)CC(=O)O", "InChI_key": "YKHKOAOQAYXTKT-UHFFFAOYSA-N" } }, "CID:73707534": { "type": "Drug", "properties": { "id": "CID:73707534", "label": "KDM-103", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707534", "FDA_Category_D_L1000_Similarity": -0.0656697, "FDA_Category_D_Structural_Similarity": -0.659409, "FDA_Category_D_Weighted_Contribution": -0.687311, "FDA_Category_D_Top_Rank": -0.0927457, "FDA_Category_X_L1000_Similarity": 0.602837, "FDA_Category_X_Structural_Similarity": -0.516101, "FDA_Category_X_Weighted_Contribution": -0.319401, "FDA_Category_X_Top_Rank": -0.0809304, "FDA_Category_D_and_X_L1000_Similarity": 0.12646, "FDA_Category_D_and_X_Structural_Similarity": -0.801868, "FDA_Category_D_and_X_Weighted_Contribution": -0.715445, "FDA_Category_D_and_X_Top_Rank": -0.0910409, "Placenta_Crossing_L1000_Similarity": 0.0667762, "Placenta_Crossing_Structural_Similarity": -0.6317, "Placenta_Crossing_Weighted_Contribution": -0.625331, "Placenta_Crossing_Top_Rank": -0.08782, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707537": { "type": "Drug", "properties": { "id": "CID:73707537", "label": "BG-1008", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707537", "FDA_Category_D_L1000_Similarity": -1.20157, "FDA_Category_D_Structural_Similarity": -0.0760174, "FDA_Category_D_Weighted_Contribution": -0.745779, "FDA_Category_D_Top_Rank": -0.0869422, "FDA_Category_X_L1000_Similarity": 0.0228619, "FDA_Category_X_Structural_Similarity": -0.552208, "FDA_Category_X_Weighted_Contribution": -0.594935, "FDA_Category_X_Top_Rank": -0.0874528, "FDA_Category_D_and_X_L1000_Similarity": -1.02883, "FDA_Category_D_and_X_Structural_Similarity": -0.358305, "FDA_Category_D_and_X_Weighted_Contribution": -0.852153, "FDA_Category_D_and_X_Top_Rank": -0.0924532, "Placenta_Crossing_L1000_Similarity": -0.757561, "Placenta_Crossing_Structural_Similarity": -0.426254, "Placenta_Crossing_Weighted_Contribution": -0.776541, "Placenta_Crossing_Top_Rank": -0.0889741, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707548": { "type": "Drug", "properties": { "id": "CID:73707548", "label": "BG-1002", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707548", "FDA_Category_D_L1000_Similarity": 0.66213, "FDA_Category_D_Structural_Similarity": 0.126046, "FDA_Category_D_Weighted_Contribution": 0.386204, "FDA_Category_D_Top_Rank": -0.0808398, "FDA_Category_X_L1000_Similarity": 0.644519, "FDA_Category_X_Structural_Similarity": 0.332279, "FDA_Category_X_Weighted_Contribution": 0.548198, "FDA_Category_X_Top_Rank": -0.0683805, "FDA_Category_D_and_X_L1000_Similarity": 0.7665, "FDA_Category_D_and_X_Structural_Similarity": 0.279341, "FDA_Category_D_and_X_Weighted_Contribution": 0.552229, "FDA_Category_D_and_X_Top_Rank": -0.0789076, "Placenta_Crossing_L1000_Similarity": 0.311677, "Placenta_Crossing_Structural_Similarity": -0.0821195, "Placenta_Crossing_Weighted_Contribution": -0.0655282, "Placenta_Crossing_Top_Rank": -0.0838635, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707593": { "type": "Drug", "properties": { "id": "CID:73707593", "label": "JMV-431", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707593", "FDA_Category_D_L1000_Similarity": 0.573829, "FDA_Category_D_Structural_Similarity": 2.74992, "FDA_Category_D_Weighted_Contribution": 2.98177, "FDA_Category_D_Top_Rank": 0.175624, "FDA_Category_X_L1000_Similarity": 1.30587, "FDA_Category_X_Structural_Similarity": 0.755169, "FDA_Category_X_Weighted_Contribution": 1.39673, "FDA_Category_X_Top_Rank": -0.0516038, "FDA_Category_D_and_X_L1000_Similarity": 0.891217, "FDA_Category_D_and_X_Structural_Similarity": 2.59013, "FDA_Category_D_and_X_Weighted_Contribution": 2.89991, "FDA_Category_D_and_X_Top_Rank": 0.117797, "Placenta_Crossing_L1000_Similarity": 0.230943, "Placenta_Crossing_Structural_Similarity": 1.60437, "Placenta_Crossing_Weighted_Contribution": 1.64047, "Placenta_Crossing_Top_Rank": -0.0123772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707604": { "type": "Drug", "properties": { "id": "CID:73707604", "label": "avicin-g", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707604", "FDA_Category_D_L1000_Similarity": -0.668888, "FDA_Category_X_L1000_Similarity": -1.30257, "FDA_Category_D_and_X_L1000_Similarity": -0.972157, "Placenta_Crossing_L1000_Similarity": -1.11032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707606": { "type": "Drug", "properties": { "id": "CID:73707606", "label": "oxetane", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707606", "FDA_Category_D_L1000_Similarity": -0.130101, "FDA_Category_X_L1000_Similarity": -1.1346, "FDA_Category_D_and_X_L1000_Similarity": -0.456705, "Placenta_Crossing_L1000_Similarity": -0.67985, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707617": { "type": "Drug", "properties": { "id": "CID:73707617", "label": "glutamyldopamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707617", "FDA_Category_D_L1000_Similarity": 0.0328689, "FDA_Category_D_Structural_Similarity": 0.0688506, "FDA_Category_D_Weighted_Contribution": -0.0319018, "FDA_Category_D_Top_Rank": -0.083439, "FDA_Category_X_L1000_Similarity": -0.555938, "FDA_Category_X_Structural_Similarity": -0.406191, "FDA_Category_X_Weighted_Contribution": -0.70645, "FDA_Category_X_Top_Rank": -0.0883082, "FDA_Category_D_and_X_L1000_Similarity": -0.140494, "FDA_Category_D_and_X_Structural_Similarity": -0.164531, "FDA_Category_D_and_X_Weighted_Contribution": -0.342731, "FDA_Category_D_and_X_Top_Rank": -0.0895867, "Placenta_Crossing_L1000_Similarity": -0.246283, "Placenta_Crossing_Structural_Similarity": -0.201956, "Placenta_Crossing_Weighted_Contribution": -0.414724, "Placenta_Crossing_Top_Rank": -0.0859466, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7534": { "type": "Drug", "properties": { "id": "CID:7534", "label": "eucatropine", "lsm": "LSM-5040", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7534", "FDA_Category_D_L1000_Similarity": -1.09348, "FDA_Category_D_Structural_Similarity": -0.205445, "FDA_Category_D_Weighted_Contribution": -0.791699, "FDA_Category_D_Top_Rank": -0.0896138, "FDA_Category_X_L1000_Similarity": -1.65595, "FDA_Category_X_Structural_Similarity": 0.473772, "FDA_Category_X_Weighted_Contribution": -0.441704, "FDA_Category_X_Top_Rank": -0.0631111, "FDA_Category_D_and_X_L1000_Similarity": -1.44548, "FDA_Category_D_and_X_Structural_Similarity": 0.0925807, "FDA_Category_D_and_X_Weighted_Contribution": -0.706159, "FDA_Category_D_and_X_Top_Rank": -0.0842359, "Placenta_Crossing_L1000_Similarity": -0.237609, "Placenta_Crossing_Structural_Similarity": -0.163611, "Placenta_Crossing_Weighted_Contribution": -0.379675, "Placenta_Crossing_Top_Rank": -0.0853998, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:770820": { "type": "Drug", "properties": { "id": "CID:770820", "label": "o-3m3fbs", "lsm": "LSM-3024", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/770820", "FDA_Category_D_L1000_Similarity": 1.12184, "FDA_Category_D_Structural_Similarity": -0.475224, "FDA_Category_D_Weighted_Contribution": 0.0567212, "FDA_Category_D_Top_Rank": -0.0561785, "FDA_Category_X_L1000_Similarity": 0.83451, "FDA_Category_X_Structural_Similarity": 0.0495084, "FDA_Category_X_Weighted_Contribution": 0.346945, "FDA_Category_X_Top_Rank": -0.0760301, "FDA_Category_D_and_X_L1000_Similarity": 1.22047, "FDA_Category_D_and_X_Structural_Similarity": -0.350477, "FDA_Category_D_and_X_Weighted_Contribution": 0.176951, "FDA_Category_D_and_X_Top_Rank": -0.0535445, "Placenta_Crossing_L1000_Similarity": 1.35331, "Placenta_Crossing_Structural_Similarity": 0.257812, "Placenta_Crossing_Weighted_Contribution": 0.80469, "Placenta_Crossing_Top_Rank": -0.0521249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F)C", "InChI_key": "SKJJIFRWCCSXGL-UHFFFAOYSA-N" } }, "CID:7791937": { "type": "Drug", "properties": { "id": "CID:7791937", "label": "BG-1022", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7791937", "FDA_Category_D_L1000_Similarity": -0.00850323, "FDA_Category_D_Structural_Similarity": -0.736759, "FDA_Category_D_Weighted_Contribution": -0.718914, "FDA_Category_D_Top_Rank": -0.0922415, "FDA_Category_X_L1000_Similarity": -0.257881, "FDA_Category_X_Structural_Similarity": 0.273751, "FDA_Category_X_Weighted_Contribution": 0.0177011, "FDA_Category_X_Top_Rank": -0.0707837, "FDA_Category_D_and_X_L1000_Similarity": -0.0856459, "FDA_Category_D_and_X_Structural_Similarity": -0.43706, "FDA_Category_D_and_X_Weighted_Contribution": -0.535573, "FDA_Category_D_and_X_Top_Rank": -0.0928823, "Placenta_Crossing_L1000_Similarity": -0.673092, "Placenta_Crossing_Structural_Similarity": -0.800709, "Placenta_Crossing_Weighted_Contribution": -0.987504, "Placenta_Crossing_Top_Rank": -0.0912525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:781301": { "type": "Drug", "properties": { "id": "CID:781301", "label": "brd-k33743361", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/781301", "FDA_Category_D_L1000_Similarity": 0.682097, "FDA_Category_D_Structural_Similarity": -0.610144, "FDA_Category_D_Weighted_Contribution": -0.30048, "FDA_Category_D_Top_Rank": -0.0802354, "FDA_Category_X_L1000_Similarity": 1.24455, "FDA_Category_X_Structural_Similarity": -0.598997, "FDA_Category_X_Weighted_Contribution": -0.0995486, "FDA_Category_X_Top_Rank": -0.0620726, "FDA_Category_D_and_X_L1000_Similarity": 0.965923, "FDA_Category_D_and_X_Structural_Similarity": -0.807496, "FDA_Category_D_and_X_Weighted_Contribution": -0.361534, "FDA_Category_D_and_X_Top_Rank": -0.0709478, "Placenta_Crossing_L1000_Similarity": 0.632051, "Placenta_Crossing_Structural_Similarity": -0.443193, "Placenta_Crossing_Weighted_Contribution": -0.242801, "Placenta_Crossing_Top_Rank": -0.0803308, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32", "InChI_key": "GIFYKGIODMXYNT-UHFFFAOYSA-N" } }, "CID:790": { "type": "Drug", "properties": { "id": "CID:790", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID790", "label": "hypoxanthine", "FDA_Category_D_L1000_Similarity": 1.07237, "FDA_Category_D_Structural_Similarity": 2.52643, "FDA_Category_D_Weighted_Contribution": 3.03478, "FDA_Category_D_Top_Rank": 0.136134, "FDA_Category_X_L1000_Similarity": 1.07382, "FDA_Category_X_Structural_Similarity": -0.69501, "FDA_Category_X_Weighted_Contribution": -0.268397, "FDA_Category_X_Top_Rank": -0.0689816, "FDA_Category_D_and_X_L1000_Similarity": 1.25051, "FDA_Category_D_and_X_Structural_Similarity": 1.63023, "FDA_Category_D_and_X_Weighted_Contribution": 2.24183, "FDA_Category_D_and_X_Top_Rank": -0.00283655, "Placenta_Crossing_L1000_Similarity": 1.32242, "Placenta_Crossing_Structural_Similarity": -0.22759, "Placenta_Crossing_Weighted_Contribution": 0.286298, "Placenta_Crossing_Top_Rank": -0.0541958, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC2=C(N1)C(=O)N=CN2", "InChI_key": "FDGQSTZJBFJUBT-UHFFFAOYSA-N" } }, "CID:82146": { "type": "Drug", "properties": { "id": "CID:82146", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID82146", "label": "bexarotene", "FDA_Category_D_L1000_Similarity": 0.679775, "FDA_Category_D_Structural_Similarity": 1.64773, "FDA_Category_D_Weighted_Contribution": 2.02841, "FDA_Category_D_Top_Rank": -0.000405936, "FDA_Category_X_L1000_Similarity": 0.199219, "FDA_Category_X_Structural_Similarity": 0.820751, "FDA_Category_X_Weighted_Contribution": 0.842083, "FDA_Category_X_Top_Rank": -0.0490516, "FDA_Category_D_and_X_L1000_Similarity": 0.646476, "FDA_Category_D_and_X_Structural_Similarity": 1.7507, "FDA_Category_D_and_X_Weighted_Contribution": 2.02834, "FDA_Category_D_and_X_Top_Rank": 0.00998515, "Placenta_Crossing_L1000_Similarity": 1.45757, "Placenta_Crossing_Structural_Similarity": 0.139278, "Placenta_Crossing_Weighted_Contribution": 0.734965, "Placenta_Crossing_Top_Rank": -0.0440154, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C", "InChI_key": "NAVMQTYZDKMPEU-UHFFFAOYSA-N" } }, "CID:82320": { "type": "Drug", "properties": { "id": "CID:82320", "label": "1-EBIO", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/82320", "FDA_Category_D_L1000_Similarity": -0.799349, "FDA_Category_D_Structural_Similarity": 0.790672, "FDA_Category_D_Weighted_Contribution": 0.193774, "FDA_Category_D_Top_Rank": -0.0609083, "FDA_Category_X_L1000_Similarity": -2.06434, "FDA_Category_X_Structural_Similarity": -0.365254, "FDA_Category_X_Weighted_Contribution": -1.17277, "FDA_Category_X_Top_Rank": -0.0876232, "FDA_Category_D_and_X_L1000_Similarity": -1.31596, "FDA_Category_D_and_X_Structural_Similarity": 0.430477, "FDA_Category_D_and_X_Weighted_Contribution": -0.395228, "FDA_Category_D_and_X_Top_Rank": -0.0759845, "Placenta_Crossing_L1000_Similarity": -1.61318, "Placenta_Crossing_Structural_Similarity": -0.551181, "Placenta_Crossing_Weighted_Contribution": -1.11528, "Placenta_Crossing_Top_Rank": -0.0901528, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:8480": { "type": "Drug", "properties": { "id": "CID:8480", "label": "carbarsone", "lsm": "LSM-5992", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8480", "FDA_Category_D_L1000_Similarity": 0.345461, "FDA_Category_D_Structural_Similarity": -0.682404, "FDA_Category_D_Weighted_Contribution": -0.522494, "FDA_Category_D_Top_Rank": -0.0880518, "FDA_Category_X_L1000_Similarity": -0.0927337, "FDA_Category_X_Structural_Similarity": -0.461708, "FDA_Category_X_Weighted_Contribution": -0.568742, "FDA_Category_X_Top_Rank": -0.0881899, "FDA_Category_D_and_X_L1000_Similarity": 0.269629, "FDA_Category_D_and_X_Structural_Similarity": -0.790769, "FDA_Category_D_and_X_Weighted_Contribution": -0.650555, "FDA_Category_D_and_X_Top_Rank": -0.0893818, "Placenta_Crossing_L1000_Similarity": 0.380357, "Placenta_Crossing_Structural_Similarity": 0.0720561, "Placenta_Crossing_Weighted_Contribution": 0.111931, "Placenta_Crossing_Top_Rank": -0.0806998, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:864": { "type": "Drug", "properties": { "id": "CID:864", "label": "thioctic-acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/864", "FDA_Category_D_L1000_Similarity": 1.51595, "FDA_Category_D_Structural_Similarity": 2.49965, "FDA_Category_D_Weighted_Contribution": 3.20539, "FDA_Category_D_Top_Rank": 0.131251, "FDA_Category_X_L1000_Similarity": 0.876373, "FDA_Category_X_Structural_Similarity": -0.369506, "FDA_Category_X_Weighted_Contribution": -0.0561007, "FDA_Category_X_Top_Rank": -0.0750374, "FDA_Category_D_and_X_L1000_Similarity": 1.57292, "FDA_Category_D_and_X_Structural_Similarity": 1.78462, "FDA_Category_D_and_X_Weighted_Contribution": 2.55015, "FDA_Category_D_and_X_Top_Rank": 0.0155899, "Placenta_Crossing_L1000_Similarity": 1.80154, "Placenta_Crossing_Structural_Similarity": 3.06935, "Placenta_Crossing_Weighted_Contribution": 3.51342, "Placenta_Crossing_Top_Rank": 0.21109, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:8796093": { "type": "Drug", "properties": { "id": "CID:8796093", "label": "KU-C103881", "lsm": "LSM-4067", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8796093", "FDA_Category_D_L1000_Similarity": 0.611995, "FDA_Category_D_Structural_Similarity": -0.744026, "FDA_Category_D_Weighted_Contribution": -0.446902, "FDA_Category_D_Top_Rank": -0.0823033, "FDA_Category_X_L1000_Similarity": 1.77349, "FDA_Category_X_Structural_Similarity": -0.556845, "FDA_Category_X_Weighted_Contribution": 0.204795, "FDA_Category_X_Top_Rank": -0.0225901, "FDA_Category_D_and_X_L1000_Similarity": 1.06613, "FDA_Category_D_and_X_Structural_Similarity": -0.891015, "FDA_Category_D_and_X_Weighted_Contribution": -0.383963, "FDA_Category_D_and_X_Top_Rank": -0.0650931, "Placenta_Crossing_L1000_Similarity": 1.077, "Placenta_Crossing_Structural_Similarity": 1.12583, "Placenta_Crossing_Weighted_Contribution": 1.58797, "Placenta_Crossing_Top_Rank": -0.0443402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:89594": { "type": "Drug", "properties": { "id": "CID:89594", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID89594", "label": "nicotine", "FDA_Category_D_L1000_Similarity": 1.15861, "FDA_Category_D_Structural_Similarity": -0.891868, "FDA_Category_D_Weighted_Contribution": -0.302792, "FDA_Category_D_Top_Rank": -0.0526714, "FDA_Category_X_L1000_Similarity": 1.7953, "FDA_Category_X_Structural_Similarity": -0.557136, "FDA_Category_X_Weighted_Contribution": 0.215721, "FDA_Category_X_Top_Rank": -0.0196493, "FDA_Category_D_and_X_L1000_Similarity": 1.54394, "FDA_Category_D_and_X_Structural_Similarity": -1.00852, "FDA_Category_D_and_X_Weighted_Contribution": -0.258244, "FDA_Category_D_and_X_Top_Rank": -0.0169586, "Placenta_Crossing_L1000_Similarity": 1.11791, "Placenta_Crossing_Structural_Similarity": -0.939534, "Placenta_Crossing_Weighted_Contribution": -0.451504, "Placenta_Crossing_Top_Rank": -0.0659797, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CN1CCCC1C2=CN=CC=C2", "InChI_key": "SNICXCGAKADSCV-JTQLQIEISA-N" } }, "CID:90241673": { "type": "Drug", "properties": { "id": "CID:90241673", "label": "EPZ-015666", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/90241673", "FDA_Category_D_L1000_Similarity": 0.519826, "FDA_Category_X_L1000_Similarity": 0.406556, "FDA_Category_D_and_X_L1000_Similarity": 0.571573, "Placenta_Crossing_L1000_Similarity": 0.822891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:92409": { "type": "Drug", "properties": { "id": "CID:92409", "label": "skf-89976a", "lsm": "LSM-1596", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/92409", "FDA_Category_D_L1000_Similarity": 1.34844, "FDA_Category_D_Structural_Similarity": 2.05647, "FDA_Category_D_Weighted_Contribution": 2.78583, "FDA_Category_D_Top_Rank": 0.0590821, "FDA_Category_X_L1000_Similarity": 1.40785, "FDA_Category_X_Structural_Similarity": 0.376995, "FDA_Category_X_Weighted_Contribution": 1.02387, "FDA_Category_X_Top_Rank": -0.0528013, "FDA_Category_D_and_X_L1000_Similarity": 1.58992, "FDA_Category_D_and_X_Structural_Similarity": 1.83567, "FDA_Category_D_and_X_Weighted_Contribution": 2.60304, "FDA_Category_D_and_X_Top_Rank": 0.0183488, "Placenta_Crossing_L1000_Similarity": 2.17202, "Placenta_Crossing_Structural_Similarity": 0.828006, "Placenta_Crossing_Weighted_Contribution": 1.85934, "Placenta_Crossing_Top_Rank": 0.09645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O", "InChI_key": "TXQKSMSLZVKQBI-UHFFFAOYSA-N" } }, "CID:9458": { "type": "Drug", "properties": { "id": "CID:9458", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9458", "label": "triflusal", "FDA_Category_D_L1000_Similarity": 0.802512, "FDA_Category_D_Structural_Similarity": -0.0241826, "FDA_Category_D_Weighted_Contribution": 0.316953, "FDA_Category_D_Top_Rank": -0.0756824, "FDA_Category_X_L1000_Similarity": 2.01375, "FDA_Category_X_Structural_Similarity": 3.90465, "FDA_Category_X_Weighted_Contribution": 4.15059, "FDA_Category_X_Top_Rank": 0.504171, "FDA_Category_D_and_X_L1000_Similarity": 1.30332, "FDA_Category_D_and_X_Structural_Similarity": 2.08774, "FDA_Category_D_and_X_Weighted_Contribution": 2.68109, "FDA_Category_D_and_X_Top_Rank": 0.0453247, "Placenta_Crossing_L1000_Similarity": 1.02105, "Placenta_Crossing_Structural_Similarity": 2.55483, "Placenta_Crossing_Weighted_Contribution": 2.9142, "Placenta_Crossing_Top_Rank": 0.0971531, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O", "InChI_key": "RMWVZGDJPAKBDE-UHFFFAOYSA-N" } }, "CID:94701": { "type": "Drug", "properties": { "id": "CID:94701", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID94701", "label": "diprotin-a", "FDA_Category_D_L1000_Similarity": 1.22588, "FDA_Category_D_Structural_Similarity": -0.532454, "FDA_Category_D_Weighted_Contribution": 0.0602577, "FDA_Category_D_Top_Rank": -0.0459367, "FDA_Category_X_L1000_Similarity": 1.41066, "FDA_Category_X_Structural_Similarity": 0.348048, "FDA_Category_X_Weighted_Contribution": 0.992652, "FDA_Category_X_Top_Rank": -0.0526124, "FDA_Category_D_and_X_L1000_Similarity": 1.48512, "FDA_Category_D_and_X_Structural_Similarity": -0.234811, "FDA_Category_D_and_X_Weighted_Contribution": 0.438494, "FDA_Category_D_and_X_Top_Rank": -0.0253457, "Placenta_Crossing_L1000_Similarity": 1.191, "Placenta_Crossing_Structural_Similarity": 0.445748, "Placenta_Crossing_Weighted_Contribution": 0.917609, "Placenta_Crossing_Top_Rank": -0.0622996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)CC)C(=O)O)N", "InChI_key": "JNTMAZFVYNDPLB-PEDHHIEDSA-N" } }, "CID:9549289": { "type": "Drug", "properties": { "id": "CID:9549289", "label": "tws-119", "lsm": "LSM-1111", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9549289", "FDA_Category_D_L1000_Similarity": 2.35619, "FDA_Category_D_Structural_Similarity": -0.699776, "FDA_Category_D_Weighted_Contribution": 0.55865, "FDA_Category_D_Top_Rank": 0.564585, "FDA_Category_X_L1000_Similarity": 1.55921, "FDA_Category_X_Structural_Similarity": 0.335061, "FDA_Category_X_Weighted_Contribution": 1.06226, "FDA_Category_X_Top_Rank": -0.0430556, "FDA_Category_D_and_X_L1000_Similarity": 2.50457, "FDA_Category_D_and_X_Structural_Similarity": -0.374624, "FDA_Category_D_and_X_Weighted_Contribution": 0.887849, "FDA_Category_D_and_X_Top_Rank": 0.50779, "Placenta_Crossing_L1000_Similarity": 2.76581, "Placenta_Crossing_Structural_Similarity": -0.184104, "Placenta_Crossing_Weighted_Contribution": 1.09973, "Placenta_Crossing_Top_Rank": 0.531299, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O", "InChI_key": "VPVLEBIVXZSOMQ-UHFFFAOYSA-N" } }, "CID:9705": { "type": "Drug", "properties": { "id": "CID:9705", "label": "ay-9944", "lsm": "LSM-2053", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9705", "FDA_Category_D_L1000_Similarity": -0.216229, "FDA_Category_D_Structural_Similarity": -0.851864, "FDA_Category_D_Weighted_Contribution": -0.880177, "FDA_Category_D_Top_Rank": -0.0937792, "FDA_Category_X_L1000_Similarity": 1.88741, "FDA_Category_X_Structural_Similarity": -0.672925, "FDA_Category_X_Weighted_Contribution": 0.144494, "FDA_Category_X_Top_Rank": -0.00733937, "FDA_Category_D_and_X_L1000_Similarity": 0.386776, "FDA_Category_D_and_X_Structural_Similarity": -1.03924, "FDA_Category_D_and_X_Weighted_Contribution": -0.778116, "FDA_Category_D_and_X_Top_Rank": -0.0876659, "Placenta_Crossing_L1000_Similarity": -0.941546, "Placenta_Crossing_Structural_Similarity": -0.962501, "Placenta_Crossing_Weighted_Contribution": -1.15227, "Placenta_Crossing_Top_Rank": -0.0917307, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CCC1CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl", "InChI_key": "RZRPZWGIOOZIBE-UHFFFAOYSA-N" } }, "CID:9828911": { "type": "Drug", "properties": { "id": "CID:9828911", "label": "anamorelin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9828911", "IDG_ID": "5487", "FDA_Category_D_L1000_Similarity": 1.53042, "FDA_Category_D_Structural_Similarity": 0.684568, "FDA_Category_D_Weighted_Contribution": 1.53478, "FDA_Category_D_Top_Rank": -0.00185533, "FDA_Category_X_L1000_Similarity": 1.55478, "FDA_Category_X_Structural_Similarity": -0.501879, "FDA_Category_X_Weighted_Contribution": 0.149155, "FDA_Category_X_Top_Rank": -0.0432772, "FDA_Category_D_and_X_L1000_Similarity": 1.79141, "FDA_Category_D_and_X_Structural_Similarity": 0.272539, "FDA_Category_D_and_X_Weighted_Contribution": 1.15202, "FDA_Category_D_and_X_Top_Rank": 0.0304879, "Placenta_Crossing_L1000_Similarity": 1.91217, "Placenta_Crossing_Structural_Similarity": 0.580989, "Placenta_Crossing_Weighted_Contribution": 1.45823, "Placenta_Crossing_Top_Rank": 0.0228098, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N", "InChI_key": "VQPFSIRUEPQQPP-MXBOTTGLSA-N" } }, "CID:9847023": { "type": "Drug", "properties": { "id": "CID:9847023", "label": "prednisolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9847023", "FDA_Category_D_L1000_Similarity": 1.43422, "FDA_Category_D_Structural_Similarity": 0.210654, "FDA_Category_D_Weighted_Contribution": 0.955683, "FDA_Category_D_Top_Rank": -0.0199089, "FDA_Category_X_L1000_Similarity": -0.939986, "FDA_Category_X_Structural_Similarity": 2.81135, "FDA_Category_X_Weighted_Contribution": 2.41792, "FDA_Category_X_Top_Rank": 0.167685, "FDA_Category_D_and_X_L1000_Similarity": 0.950869, "FDA_Category_D_and_X_Structural_Similarity": 1.68419, "FDA_Category_D_and_X_Weighted_Contribution": 2.13138, "FDA_Category_D_and_X_Top_Rank": 0.00269973, "Placenta_Crossing_L1000_Similarity": 0.907984, "Placenta_Crossing_Structural_Similarity": 3.34785, "Placenta_Crossing_Weighted_Contribution": 3.41566, "Placenta_Crossing_Top_Rank": 0.291226, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=CC34C)O", "InChI_key": "APGDTXUMTIZLCJ-PILPDLGISA-N" } }, "CID:9853053": { "type": "Drug", "properties": { "id": "CID:9853053", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9853053", "label": "lomitapide", "FDA_Category_D_L1000_Similarity": -1.4385, "FDA_Category_D_Structural_Similarity": 0.617669, "FDA_Category_D_Weighted_Contribution": -0.312483, "FDA_Category_D_Top_Rank": -0.0668564, "FDA_Category_X_L1000_Similarity": 0.130352, "FDA_Category_X_Structural_Similarity": -0.460552, "FDA_Category_X_Weighted_Contribution": -0.475893, "FDA_Category_X_Top_Rank": -0.0865955, "FDA_Category_D_and_X_L1000_Similarity": -1.20043, "FDA_Category_D_and_X_Structural_Similarity": 0.24174, "FDA_Category_D_and_X_Weighted_Contribution": -0.49395, "FDA_Category_D_and_X_Top_Rank": -0.0807879, "Placenta_Crossing_L1000_Similarity": -1.43896, "Placenta_Crossing_Structural_Similarity": 0.0891905, "Placenta_Crossing_Weighted_Contribution": -0.656888, "Placenta_Crossing_Top_Rank": -0.0803128, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F", "InChI_key": "MBBCVAKAJPKAKM-UHFFFAOYSA-N" } }, "CID:9865652": { "type": "Drug", "properties": { "id": "CID:9865652", "label": "IDAM", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9865652", "FDA_Category_D_L1000_Similarity": -0.516597, "FDA_Category_D_Structural_Similarity": -0.483192, "FDA_Category_D_Weighted_Contribution": -0.750042, "FDA_Category_D_Top_Rank": -0.0939099, "FDA_Category_X_L1000_Similarity": -0.18236, "FDA_Category_X_Structural_Similarity": -0.448976, "FDA_Category_X_Weighted_Contribution": -0.594507, "FDA_Category_X_Top_Rank": -0.0886865, "FDA_Category_D_and_X_L1000_Similarity": -0.500695, "FDA_Category_D_and_X_Structural_Similarity": -0.625782, "FDA_Category_D_and_X_Weighted_Contribution": -0.83369, "FDA_Category_D_and_X_Top_Rank": -0.0949821, "Placenta_Crossing_L1000_Similarity": -0.140036, "Placenta_Crossing_Structural_Similarity": -0.782779, "Placenta_Crossing_Weighted_Contribution": -0.805753, "Placenta_Crossing_Top_Rank": -0.0892256, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9889200": { "type": "Drug", "properties": { "id": "CID:9889200", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9889200", "label": "balaglitazone", "FDA_Category_D_L1000_Similarity": -0.437288, "FDA_Category_D_Structural_Similarity": 0.282019, "FDA_Category_D_Weighted_Contribution": -0.0895966, "FDA_Category_D_Top_Rank": -0.0777229, "FDA_Category_X_L1000_Similarity": -0.613477, "FDA_Category_X_Structural_Similarity": 0.655391, "FDA_Category_X_Weighted_Contribution": 0.2231, "FDA_Category_X_Top_Rank": -0.0555576, "FDA_Category_D_and_X_L1000_Similarity": -0.563252, "FDA_Category_D_and_X_Structural_Similarity": 0.577488, "FDA_Category_D_and_X_Weighted_Contribution": 0.108004, "FDA_Category_D_and_X_Top_Rank": -0.0716326, "Placenta_Crossing_L1000_Similarity": 0.688337, "Placenta_Crossing_Structural_Similarity": -0.543293, "Placenta_Crossing_Weighted_Contribution": -0.304242, "Placenta_Crossing_Top_Rank": -0.0791655, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4", "InChI_key": "IETKPTYAGKZLKY-UHFFFAOYSA-N" } }, "CID:9911830": { "type": "Drug", "properties": { "id": "CID:9911830", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9911830", "label": "tivozanib", "FDA_Category_D_L1000_Similarity": -0.851609, "FDA_Category_D_Structural_Similarity": -0.645908, "FDA_Category_D_Weighted_Contribution": -0.984109, "FDA_Category_D_Top_Rank": -0.095434, "FDA_Category_X_L1000_Similarity": 1.34928, "FDA_Category_X_Structural_Similarity": -0.457891, "FDA_Category_X_Weighted_Contribution": 0.0898051, "FDA_Category_X_Top_Rank": -0.0561142, "FDA_Category_D_and_X_L1000_Similarity": -0.32435, "FDA_Category_D_and_X_Structural_Similarity": -0.759742, "FDA_Category_D_and_X_Weighted_Contribution": -0.856341, "FDA_Category_D_and_X_Top_Rank": -0.0943354, "Placenta_Crossing_L1000_Similarity": -0.473075, "Placenta_Crossing_Structural_Similarity": -0.454382, "Placenta_Crossing_Weighted_Contribution": -0.695506, "Placenta_Crossing_Top_Rank": -0.0892803, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl", "InChI_key": "SPMVMDHWKHCIDT-UHFFFAOYSA-N" } }, "CID:9924495": { "type": "Drug", "properties": { "id": "CID:9924495", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9924495", "label": "perampanel", "FDA_Category_D_L1000_Similarity": -0.0435302, "FDA_Category_D_Structural_Similarity": -0.787047, "FDA_Category_D_Weighted_Contribution": -0.768776, "FDA_Category_D_Top_Rank": -0.0925661, "FDA_Category_X_L1000_Similarity": -0.798416, "FDA_Category_X_Structural_Similarity": -0.754712, "FDA_Category_X_Weighted_Contribution": -1.02949, "FDA_Category_X_Top_Rank": -0.0908708, "FDA_Category_D_and_X_L1000_Similarity": -0.279988, "FDA_Category_D_and_X_Structural_Similarity": -1.03193, "FDA_Category_D_and_X_Weighted_Contribution": -1.00658, "FDA_Category_D_and_X_Top_Rank": -0.0941008, "Placenta_Crossing_L1000_Similarity": -0.836313, "Placenta_Crossing_Structural_Similarity": 1.08138, "Placenta_Crossing_Weighted_Contribution": 0.503157, "Placenta_Crossing_Top_Rank": -0.0465595, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4", "InChI_key": "PRMWGUBFXWROHD-UHFFFAOYSA-N" } }, "CID:9933475": { "type": "Drug", "properties": { "id": "CID:9933475", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9933475", "label": "cediranib", "FDA_Category_D_L1000_Similarity": -1.0169, "FDA_Category_D_Structural_Similarity": -0.705613, "FDA_Category_D_Weighted_Contribution": -1.07524, "FDA_Category_D_Top_Rank": -0.0958884, "FDA_Category_X_L1000_Similarity": 1.77454, "FDA_Category_X_Structural_Similarity": -0.0114398, "FDA_Category_X_Weighted_Contribution": 0.792936, "FDA_Category_X_Top_Rank": -0.0224851, "FDA_Category_D_and_X_L1000_Similarity": -0.337681, "FDA_Category_D_and_X_Structural_Similarity": -0.566227, "FDA_Category_D_and_X_Weighted_Contribution": -0.732488, "FDA_Category_D_and_X_Top_Rank": -0.0944113, "Placenta_Crossing_L1000_Similarity": -1.71194, "Placenta_Crossing_Structural_Similarity": -0.186269, "Placenta_Crossing_Weighted_Contribution": -0.934768, "Placenta_Crossing_Top_Rank": -0.0857423, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5", "InChI_key": "XXJWYDDUDKYVKI-UHFFFAOYSA-N" } }, "CID:9935249": { "type": "Drug", "properties": { "id": "CID:9935249", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9935249", "label": "tipifarnib", "FDA_Category_D_L1000_Similarity": -1.16909, "FDA_Category_X_L1000_Similarity": 0.167876, "FDA_Category_D_and_X_L1000_Similarity": -0.956792, "Placenta_Crossing_L1000_Similarity": -0.812203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N", "InChI_key": "PLHJCIYEEKOWNM-MHZLTWQESA-N" } }, "CID:9941444": { "type": "Drug", "properties": { "id": "CID:9941444", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9941444", "label": "pasireotide", "FDA_Category_D_L1000_Similarity": 0.56543, "FDA_Category_D_Structural_Similarity": 0.129921, "FDA_Category_D_Weighted_Contribution": 0.332428, "FDA_Category_D_Top_Rank": -0.0817049, "FDA_Category_X_L1000_Similarity": 1.63727, "FDA_Category_X_Structural_Similarity": 0.557662, "FDA_Category_X_Weighted_Contribution": 1.3606, "FDA_Category_X_Top_Rank": -0.0365888, "FDA_Category_D_and_X_L1000_Similarity": 0.984619, "FDA_Category_D_and_X_Structural_Similarity": 0.404032, "FDA_Category_D_and_X_Weighted_Contribution": 0.810109, "FDA_Category_D_and_X_Top_Rank": -0.070063, "Placenta_Crossing_L1000_Similarity": 1.86969, "Placenta_Crossing_Structural_Similarity": 0.925345, "Placenta_Crossing_Weighted_Contribution": 1.80099, "Placenta_Crossing_Top_Rank": 0.0151912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN", "InChI_key": "VMZMNAABQBOLAK-DBILLSOUSA-N" } }, "CID:9952884": { "type": "Drug", "properties": { "id": "CID:9952884", "label": "vosaroxin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9952884", "FDA_Category_D_L1000_Similarity": 0.81186, "FDA_Category_D_Structural_Similarity": -0.619438, "FDA_Category_D_Weighted_Contribution": -0.242508, "FDA_Category_D_Top_Rank": -0.075337, "FDA_Category_X_L1000_Similarity": -1.72735, "FDA_Category_X_Structural_Similarity": -0.695424, "FDA_Category_X_Weighted_Contribution": -1.25892, "FDA_Category_X_Top_Rank": -0.0919144, "FDA_Category_D_and_X_L1000_Similarity": 0.175263, "FDA_Category_D_and_X_Structural_Similarity": -0.866904, "FDA_Category_D_and_X_Weighted_Contribution": -0.741544, "FDA_Category_D_and_X_Top_Rank": -0.0905391, "Placenta_Crossing_L1000_Similarity": -1.10916, "Placenta_Crossing_Structural_Similarity": -0.126184, "Placenta_Crossing_Weighted_Contribution": -0.691572, "Placenta_Crossing_Top_Rank": -0.0847313, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC1CN(CC1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O", "InChI_key": "XZAFZXJXZHRNAQ-STQMWFEESA-N" } }, "CID:9967941": { "type": "Drug", "properties": { "id": "CID:9967941", "label": "sb-525334", "lsm": "LSM-1121", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9967941", "FDA_Category_D_L1000_Similarity": 1.58338, "FDA_Category_D_Structural_Similarity": -0.468211, "FDA_Category_D_Weighted_Contribution": 0.330362, "FDA_Category_D_Top_Rank": 0.01013, "FDA_Category_X_L1000_Similarity": 1.55324, "FDA_Category_X_Structural_Similarity": 0.584352, "FDA_Category_X_Weighted_Contribution": 1.34308, "FDA_Category_X_Top_Rank": -0.043497, "FDA_Category_D_and_X_L1000_Similarity": 1.83658, "FDA_Category_D_and_X_Structural_Similarity": -0.0563109, "FDA_Category_D_and_X_Weighted_Contribution": 0.828336, "FDA_Category_D_and_X_Top_Rank": 0.0408625, "Placenta_Crossing_L1000_Similarity": 2.93752, "Placenta_Crossing_Structural_Similarity": -0.058131, "Placenta_Crossing_Weighted_Contribution": 1.33006, "Placenta_Crossing_Top_Rank": 0.851634, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=NC=CN=C4C=C3", "InChI_key": "DKPQHFZUICCZHF-UHFFFAOYSA-N" } }, "CID:10052040": { "type": "Drug", "properties": { "id": "CID:10052040", "label": "otenabant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10052040", "FDA_Category_D_L1000_Similarity": 0.910548, "FDA_Category_D_Structural_Similarity": 0.317414, "FDA_Category_D_Weighted_Contribution": 0.739748, "FDA_Category_D_Top_Rank": -0.0709434, "FDA_Category_X_L1000_Similarity": 2.42426, "FDA_Category_X_Structural_Similarity": -0.58141, "FDA_Category_X_Weighted_Contribution": 0.523106, "FDA_Category_X_Top_Rank": 0.127838, "FDA_Category_D_and_X_L1000_Similarity": 1.5211, "FDA_Category_D_and_X_Structural_Similarity": -0.0617913, "FDA_Category_D_and_X_Weighted_Contribution": 0.636963, "FDA_Category_D_and_X_Top_Rank": -0.0204268, "Placenta_Crossing_L1000_Similarity": 0.917728, "Placenta_Crossing_Structural_Similarity": 0.208191, "Placenta_Crossing_Weighted_Contribution": 0.520352, "Placenta_Crossing_Top_Rank": -0.0731644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N", "InChI_key": "UNAZAADNBYXMIV-UHFFFAOYSA-N" } }, "CID:10071166": { "type": "Drug", "properties": { "id": "CID:10071166", "label": "dcpib", "lsm": "LSM-1517", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10071166", "FDA_Category_D_L1000_Similarity": -0.0744026, "FDA_Category_D_Structural_Similarity": -0.850144, "FDA_Category_D_Weighted_Contribution": -0.824223, "FDA_Category_D_Top_Rank": -0.0928147, "FDA_Category_X_L1000_Similarity": 0.467317, "FDA_Category_X_Structural_Similarity": -0.535886, "FDA_Category_X_Weighted_Contribution": -0.396342, "FDA_Category_X_Top_Rank": -0.0829288, "FDA_Category_D_and_X_L1000_Similarity": 0.0777757, "FDA_Category_D_and_X_Structural_Similarity": -0.963932, "FDA_Category_D_and_X_Weighted_Contribution": -0.842684, "FDA_Category_D_and_X_Top_Rank": -0.0915109, "Placenta_Crossing_L1000_Similarity": 0.586503, "Placenta_Crossing_Structural_Similarity": 1.47727, "Placenta_Crossing_Weighted_Contribution": 1.6969, "Placenta_Crossing_Top_Rank": -0.0209721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3", "InChI_key": "KHKGTPJPBOQECW-UHFFFAOYSA-N" } }, "CID:10235": { "type": "Drug", "properties": { "id": "CID:10235", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10235", "label": "cytisine", "FDA_Category_D_L1000_Similarity": 0.733975, "FDA_Category_D_Structural_Similarity": -0.803466, "FDA_Category_D_Weighted_Contribution": -0.437131, "FDA_Category_D_Top_Rank": -0.0784757, "FDA_Category_X_L1000_Similarity": 1.44383, "FDA_Category_X_Structural_Similarity": 2.79278, "FDA_Category_X_Weighted_Contribution": 3.43357, "FDA_Category_X_Top_Rank": 0.166389, "FDA_Category_D_and_X_L1000_Similarity": 1.07116, "FDA_Category_D_and_X_Structural_Similarity": 0.86925, "FDA_Category_D_and_X_Weighted_Contribution": 1.35861, "FDA_Category_D_and_X_Top_Rank": -0.0601936, "Placenta_Crossing_L1000_Similarity": 1.75732, "Placenta_Crossing_Structural_Similarity": -0.853653, "Placenta_Crossing_Weighted_Contribution": -0.100342, "Placenta_Crossing_Top_Rank": -0.00686027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CNCC1C3=CC=CC(=O)N3C2", "InChI_key": "ANJTVLIZGCUXLD-DTWKUNHWSA-N" } }, "CID:104758": { "type": "Drug", "properties": { "id": "CID:104758", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID104758", "label": "raltitrexed", "FDA_Category_D_L1000_Similarity": 1.63253, "FDA_Category_D_Structural_Similarity": 1.20493, "FDA_Category_D_Weighted_Contribution": 2.14583, "FDA_Category_D_Top_Rank": 0.0227974, "FDA_Category_X_L1000_Similarity": -2.11339, "FDA_Category_X_Structural_Similarity": 1.40744, "FDA_Category_X_Weighted_Contribution": 0.224629, "FDA_Category_X_Top_Rank": -0.0140729, "FDA_Category_D_and_X_L1000_Similarity": 0.765464, "FDA_Category_D_and_X_Structural_Similarity": 1.71582, "FDA_Category_D_and_X_Weighted_Contribution": 2.06004, "FDA_Category_D_and_X_Top_Rank": 0.00591013, "Placenta_Crossing_L1000_Similarity": -0.948436, "Placenta_Crossing_Structural_Similarity": 0.0551201, "Placenta_Crossing_Weighted_Contribution": -0.494112, "Placenta_Crossing_Top_Rank": -0.0810815, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O", "InChI_key": "IVTVGDXNLFLDRM-HNNXBMFYSA-N" } }, "CID:104845": { "type": "Drug", "properties": { "id": "CID:104845", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID104845", "label": "alfaxalone", "FDA_Category_D_L1000_Similarity": -0.205628, "FDA_Category_D_Structural_Similarity": -0.752016, "FDA_Category_D_Weighted_Contribution": -0.809862, "FDA_Category_D_Top_Rank": -0.0937194, "FDA_Category_X_L1000_Similarity": 1.40685, "FDA_Category_X_Structural_Similarity": 0.990598, "FDA_Category_X_Weighted_Contribution": 1.72094, "FDA_Category_X_Top_Rank": -0.0413344, "FDA_Category_D_and_X_L1000_Similarity": 0.249976, "FDA_Category_D_and_X_Structural_Similarity": -0.0623626, "FDA_Category_D_and_X_Weighted_Contribution": -0.0632467, "FDA_Category_D_and_X_Top_Rank": -0.0875497, "Placenta_Crossing_L1000_Similarity": 0.631272, "Placenta_Crossing_Structural_Similarity": -0.390715, "Placenta_Crossing_Weighted_Contribution": -0.197248, "Placenta_Crossing_Top_Rank": -0.0803546, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C", "InChI_key": "DUHUCHOQIDJXAT-OLVMNOGESA-N" } }, "CID:10745": { "type": "Drug", "properties": { "id": "CID:10745", "label": "acetylsalicylsalicylic-acid", "lsm": "LSM-5575", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10745", "FDA_Category_D_L1000_Similarity": -0.194347, "FDA_Category_D_Structural_Similarity": -0.664989, "FDA_Category_D_Weighted_Contribution": -0.745187, "FDA_Category_D_Top_Rank": -0.093651, "FDA_Category_X_L1000_Similarity": -0.0410946, "FDA_Category_X_Structural_Similarity": 0.778639, "FDA_Category_X_Weighted_Contribution": 0.661364, "FDA_Category_X_Top_Rank": -0.0505907, "FDA_Category_D_and_X_L1000_Similarity": -0.180012, "FDA_Category_D_and_X_Structural_Similarity": -0.107661, "FDA_Category_D_and_X_Weighted_Contribution": -0.313767, "FDA_Category_D_and_X_Top_Rank": -0.0884625, "Placenta_Crossing_L1000_Similarity": 0.228331, "Placenta_Crossing_Structural_Similarity": 0.137397, "Placenta_Crossing_Weighted_Contribution": 0.100636, "Placenta_Crossing_Top_Rank": -0.0791858, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:107967": { "type": "Drug", "properties": { "id": "CID:107967", "label": "fk-888", "lsm": "LSM-3876", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107967", "FDA_Category_D_L1000_Similarity": -0.831395, "FDA_Category_D_Structural_Similarity": -0.815242, "FDA_Category_D_Weighted_Contribution": -1.07581, "FDA_Category_D_Top_Rank": -0.0960071, "FDA_Category_X_L1000_Similarity": 2.23764, "FDA_Category_X_Structural_Similarity": -0.190569, "FDA_Category_X_Weighted_Contribution": 0.851867, "FDA_Category_X_Top_Rank": 0.0595733, "FDA_Category_D_and_X_L1000_Similarity": -0.0371433, "FDA_Category_D_and_X_Structural_Similarity": -0.749899, "FDA_Category_D_and_X_Weighted_Contribution": -0.742961, "FDA_Category_D_and_X_Top_Rank": -0.0925134, "Placenta_Crossing_L1000_Similarity": 0.374235, "Placenta_Crossing_Structural_Similarity": -0.500835, "Placenta_Crossing_Weighted_Contribution": -0.401733, "Placenta_Crossing_Top_Rank": -0.0847755, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O", "InChI_key": "BFNKQTIJVFGCKQ-PDJGWCFMSA-N" } }, "CID:108094": { "type": "Drug", "properties": { "id": "CID:108094", "label": "rx-821002", "lsm": "LSM-1714", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/108094", "FDA_Category_D_L1000_Similarity": 1.17829, "FDA_Category_D_Structural_Similarity": -0.712657, "FDA_Category_D_Weighted_Contribution": -0.134073, "FDA_Category_D_Top_Rank": -0.0508808, "FDA_Category_X_L1000_Similarity": -0.499633, "FDA_Category_X_Structural_Similarity": -0.707932, "FDA_Category_X_Weighted_Contribution": -0.902246, "FDA_Category_X_Top_Rank": -0.0900396, "FDA_Category_D_and_X_L1000_Similarity": 0.863979, "FDA_Category_D_and_X_Structural_Similarity": -0.947642, "FDA_Category_D_and_X_Weighted_Contribution": -0.518872, "FDA_Category_D_and_X_Top_Rank": -0.0754778, "Placenta_Crossing_L1000_Similarity": 0.786178, "Placenta_Crossing_Structural_Similarity": 0.524328, "Placenta_Crossing_Weighted_Contribution": 0.782136, "Placenta_Crossing_Top_Rank": -0.0688659, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1(COC2=CC=CC=C2O1)C3=NCCN3", "InChI_key": "HQGWKNGAKBPTBX-UHFFFAOYSA-N" } }, "CID:11210285": { "type": "Drug", "properties": { "id": "CID:11210285", "label": "BML-284", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11210285", "FDA_Category_D_L1000_Similarity": -1.51459, "FDA_Category_D_Structural_Similarity": -0.80446, "FDA_Category_D_Weighted_Contribution": -1.27527, "FDA_Category_D_Top_Rank": -0.096519, "FDA_Category_X_L1000_Similarity": -1.01161, "FDA_Category_X_Structural_Similarity": -0.578878, "FDA_Category_X_Weighted_Contribution": -0.985908, "FDA_Category_X_Top_Rank": -0.0908335, "FDA_Category_D_and_X_L1000_Similarity": -1.6128, "FDA_Category_D_and_X_Structural_Similarity": -0.950871, "FDA_Category_D_and_X_Weighted_Contribution": -1.33471, "FDA_Category_D_and_X_Top_Rank": -0.0965675, "Placenta_Crossing_L1000_Similarity": -1.8335, "Placenta_Crossing_Structural_Similarity": -0.825725, "Placenta_Crossing_Weighted_Contribution": -1.30293, "Placenta_Crossing_Top_Rank": -0.0918567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11249248": { "type": "Drug", "properties": { "id": "CID:11249248", "label": "bms-299897", "lsm": "LSM-6207", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11249248", "FDA_Category_D_L1000_Similarity": 0.619707, "FDA_Category_D_Structural_Similarity": 0.81646, "FDA_Category_D_Weighted_Contribution": 1.09622, "FDA_Category_D_Top_Rank": -0.0599884, "FDA_Category_X_L1000_Similarity": 0.54213, "FDA_Category_X_Structural_Similarity": -0.418567, "FDA_Category_X_Weighted_Contribution": -0.258971, "FDA_Category_X_Top_Rank": -0.0819186, "FDA_Category_D_and_X_L1000_Similarity": 0.698835, "FDA_Category_D_and_X_Structural_Similarity": 0.422178, "FDA_Category_D_and_X_Weighted_Contribution": 0.660949, "FDA_Category_D_and_X_Top_Rank": -0.0762621, "Placenta_Crossing_L1000_Similarity": 2.37223, "Placenta_Crossing_Structural_Similarity": 1.05025, "Placenta_Crossing_Weighted_Contribution": 2.18693, "Placenta_Crossing_Top_Rank": 0.197563, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl", "InChI_key": "IZAOBRWCUGOKNH-OAHLLOKOSA-N" } }, "CID:11296583": { "type": "Drug", "properties": { "id": "CID:11296583", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11296583", "label": "pirarubicin", "FDA_Category_D_L1000_Similarity": 1.31092, "FDA_Category_D_Structural_Similarity": 6.36943, "FDA_Category_D_Weighted_Contribution": 4.38784, "FDA_Category_D_Top_Rank": 2.39355, "FDA_Category_X_L1000_Similarity": -1.76459, "FDA_Category_X_Structural_Similarity": 1.70199, "FDA_Category_X_Weighted_Contribution": 0.728789, "FDA_Category_X_Top_Rank": 0.00605388, "FDA_Category_D_and_X_L1000_Similarity": 0.594165, "FDA_Category_D_and_X_Structural_Similarity": 5.97389, "FDA_Category_D_and_X_Weighted_Contribution": 4.18903, "FDA_Category_D_and_X_Top_Rank": 2.10535, "Placenta_Crossing_L1000_Similarity": -0.625929, "Placenta_Crossing_Structural_Similarity": 2.11115, "Placenta_Crossing_Weighted_Contribution": 1.71675, "Placenta_Crossing_Top_Rank": 0.0426837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6", "InChI_key": "KMSKQZKKOZQFFG-YXRRJAAWSA-N" } }, "CID:11539025": { "type": "Drug", "properties": { "id": "CID:11539025", "label": "ralimetinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11539025", "FDA_Category_D_L1000_Similarity": -0.00123282, "FDA_Category_D_Structural_Similarity": -0.506161, "FDA_Category_D_Weighted_Contribution": -0.543473, "FDA_Category_D_Top_Rank": -0.0921791, "FDA_Category_X_L1000_Similarity": 2.27338, "FDA_Category_X_Structural_Similarity": 0.16812, "FDA_Category_X_Weighted_Contribution": 1.2793, "FDA_Category_X_Top_Rank": 0.0708608, "FDA_Category_D_and_X_L1000_Similarity": 0.689321, "FDA_Category_D_and_X_Structural_Similarity": -0.31103, "FDA_Category_D_and_X_Weighted_Contribution": -0.0654163, "FDA_Category_D_and_X_Top_Rank": -0.0815381, "Placenta_Crossing_L1000_Similarity": 1.39564, "Placenta_Crossing_Structural_Similarity": -0.273152, "Placenta_Crossing_Weighted_Contribution": 0.277928, "Placenta_Crossing_Top_Rank": -0.0486947, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N", "InChI_key": "XPPBBJCBDOEXDN-UHFFFAOYSA-N" } }, "CID:11570626": { "type": "Drug", "properties": { "id": "CID:11570626", "label": "mk-0893", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11570626", "FDA_Category_D_L1000_Similarity": 0.560225, "FDA_Category_D_Structural_Similarity": -0.829156, "FDA_Category_D_Weighted_Contribution": -0.538956, "FDA_Category_D_Top_Rank": -0.083712, "FDA_Category_X_L1000_Similarity": 1.52522, "FDA_Category_X_Structural_Similarity": -0.349849, "FDA_Category_X_Weighted_Contribution": 0.290537, "FDA_Category_X_Top_Rank": -0.0452454, "FDA_Category_D_and_X_L1000_Similarity": 0.946105, "FDA_Category_D_and_X_Structural_Similarity": -0.84689, "FDA_Category_D_and_X_Weighted_Contribution": -0.4028, "FDA_Category_D_and_X_Top_Rank": -0.0720061, "Placenta_Crossing_L1000_Similarity": 1.29386, "Placenta_Crossing_Structural_Similarity": -0.548801, "Placenta_Crossing_Weighted_Contribution": -0.0364415, "Placenta_Crossing_Top_Rank": -0.0561549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC5=C(C=C4)C=C(C=C5)OC", "InChI_key": "DNTVJEMGHBIUMW-IBGZPJMESA-N" } }, "CID:11609586": { "type": "Drug", "properties": { "id": "CID:11609586", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11609586", "label": "serdemetan", "FDA_Category_D_L1000_Similarity": 0.86018, "FDA_Category_D_Structural_Similarity": -0.569095, "FDA_Category_D_Weighted_Contribution": -0.17267, "FDA_Category_D_Top_Rank": -0.0733166, "FDA_Category_X_L1000_Similarity": 0.632691, "FDA_Category_X_Structural_Similarity": -0.144691, "FDA_Category_X_Weighted_Contribution": 0.0445765, "FDA_Category_X_Top_Rank": -0.0805418, "FDA_Category_D_and_X_L1000_Similarity": 0.933611, "FDA_Category_D_and_X_Structural_Similarity": -0.529772, "FDA_Category_D_and_X_Weighted_Contribution": -0.139003, "FDA_Category_D_and_X_Top_Rank": -0.0726147, "Placenta_Crossing_L1000_Similarity": -1.15872, "Placenta_Crossing_Structural_Similarity": -0.663685, "Placenta_Crossing_Weighted_Contribution": -1.05062, "Placenta_Crossing_Top_Rank": -0.0910127, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4", "InChI_key": "CEGSUKYESLWKJP-UHFFFAOYSA-N" } }, "CID:11609955": { "type": "Drug", "properties": { "id": "CID:11609955", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11609955", "label": "resminostat", "FDA_Category_D_L1000_Similarity": -2.29593, "FDA_Category_D_Structural_Similarity": 1.55755, "FDA_Category_D_Weighted_Contribution": 0.0868803, "FDA_Category_D_Top_Rank": -0.0109588, "FDA_Category_X_L1000_Similarity": -1.70903, "FDA_Category_X_Structural_Similarity": -0.26927, "FDA_Category_X_Weighted_Contribution": -1.0109, "FDA_Category_X_Top_Rank": -0.0859239, "FDA_Category_D_and_X_L1000_Similarity": -2.49812, "FDA_Category_D_and_X_Structural_Similarity": 1.09095, "FDA_Category_D_and_X_Weighted_Contribution": -0.39702, "FDA_Category_D_and_X_Top_Rank": -0.0470798, "Placenta_Crossing_L1000_Similarity": -2.516, "Placenta_Crossing_Structural_Similarity": 1.43741, "Placenta_Crossing_Weighted_Contribution": 0.0133018, "Placenta_Crossing_Top_Rank": -0.0246556, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C=CC(=O)NO", "InChI_key": "FECGNJPYVFEKOD-VMPITWQZSA-N" } }, "CID:11626560": { "type": "Drug", "properties": { "id": "CID:11626560", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11626560", "label": "crizotinib", "FDA_Category_D_L1000_Similarity": -1.02927, "FDA_Category_D_Structural_Similarity": 0.0887464, "FDA_Category_D_Weighted_Contribution": -0.548997, "FDA_Category_D_Top_Rank": -0.082862, "FDA_Category_X_L1000_Similarity": 4.30461, "FDA_Category_X_Structural_Similarity": -0.175179, "FDA_Category_X_Weighted_Contribution": 2.03574, "FDA_Category_X_Top_Rank": 7.64373, "FDA_Category_D_and_X_L1000_Similarity": 0.41998, "FDA_Category_D_and_X_Structural_Similarity": -0.0240866, "FDA_Category_D_and_X_Weighted_Contribution": 0.0603373, "FDA_Category_D_and_X_Top_Rank": -0.0868278, "Placenta_Crossing_L1000_Similarity": -0.246686, "Placenta_Crossing_Structural_Similarity": -0.109614, "Placenta_Crossing_Weighted_Contribution": -0.338569, "Placenta_Crossing_Top_Rank": -0.084374, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N", "InChI_key": "KTEIFNKAUNYNJU-GFCCVEGCSA-N" } }, "CID:11754511": { "type": "Drug", "properties": { "id": "CID:11754511", "label": "bx-912", "lsm": "LSM-1055", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11754511", "FDA_Category_D_L1000_Similarity": 0.740207, "FDA_Category_D_Structural_Similarity": -0.5688, "FDA_Category_D_Weighted_Contribution": -0.234879, "FDA_Category_D_Top_Rank": -0.0782621, "FDA_Category_X_L1000_Similarity": 1.65412, "FDA_Category_X_Structural_Similarity": -0.101793, "FDA_Category_X_Weighted_Contribution": 0.625982, "FDA_Category_X_Top_Rank": -0.0348005, "FDA_Category_D_and_X_L1000_Similarity": 1.1404, "FDA_Category_D_and_X_Structural_Similarity": -0.506392, "FDA_Category_D_and_X_Weighted_Contribution": -0.0127481, "FDA_Category_D_and_X_Top_Rank": -0.0599685, "Placenta_Crossing_L1000_Similarity": 1.61407, "Placenta_Crossing_Structural_Similarity": -0.654521, "Placenta_Crossing_Weighted_Contribution": 0.0163774, "Placenta_Crossing_Top_Rank": -0.0273591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br", "InChI_key": "DMMILYKXNCVKOJ-UHFFFAOYSA-N" } }, "CID:122335": { "type": "Drug", "properties": { "id": "CID:122335", "label": "efaproxiral", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122335", "FDA_Category_D_L1000_Similarity": 1.38698, "FDA_Category_D_Structural_Similarity": -0.624539, "FDA_Category_D_Weighted_Contribution": 0.0624147, "FDA_Category_D_Top_Rank": -0.0264645, "FDA_Category_X_L1000_Similarity": 0.0843042, "FDA_Category_X_Structural_Similarity": -0.703748, "FDA_Category_X_Weighted_Contribution": -0.68913, "FDA_Category_X_Top_Rank": -0.08696, "FDA_Category_D_and_X_L1000_Similarity": 1.2212, "FDA_Category_D_and_X_Structural_Similarity": -0.875444, "FDA_Category_D_and_X_Weighted_Contribution": -0.29889, "FDA_Category_D_and_X_Top_Rank": -0.0533732, "Placenta_Crossing_L1000_Similarity": 2.02944, "Placenta_Crossing_Structural_Similarity": 0.0798176, "Placenta_Crossing_Weighted_Contribution": 0.98147, "Placenta_Crossing_Top_Rank": 0.0520843, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C", "InChI_key": "BNFRJXLZYUTIII-UHFFFAOYSA-N" } }, "CID:12385463": { "type": "Drug", "properties": { "id": "CID:12385463", "label": "ku-c103670", "lsm": "LSM-2549", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12385463", "FDA_Category_D_L1000_Similarity": 0.434992, "FDA_Category_D_Structural_Similarity": -0.459548, "FDA_Category_D_Weighted_Contribution": -0.295403, "FDA_Category_D_Top_Rank": -0.0865352, "FDA_Category_X_L1000_Similarity": -0.765716, "FDA_Category_X_Structural_Similarity": -0.761298, "FDA_Category_X_Weighted_Contribution": -1.02341, "FDA_Category_X_Top_Rank": -0.0908043, "FDA_Category_D_and_X_L1000_Similarity": 0.142438, "FDA_Category_D_and_X_Structural_Similarity": -0.775543, "FDA_Category_D_and_X_Weighted_Contribution": -0.690655, "FDA_Category_D_and_X_Top_Rank": -0.0909039, "Placenta_Crossing_L1000_Similarity": 0.687322, "Placenta_Crossing_Structural_Similarity": -0.776664, "Placenta_Crossing_Weighted_Contribution": -0.495649, "Placenta_Crossing_Top_Rank": -0.0792061, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3O2", "InChI_key": "YJQBDAUNMLGTOM-UHFFFAOYSA-N" } }, "CID:125085": { "type": "Drug", "properties": { "id": "CID:125085", "label": "p-aminophenethylspiperone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/125085", "FDA_Category_D_L1000_Similarity": -2.89202, "FDA_Category_D_Structural_Similarity": -0.627482, "FDA_Category_D_Weighted_Contribution": -1.52481, "FDA_Category_D_Top_Rank": -0.095289, "FDA_Category_X_L1000_Similarity": -0.554118, "FDA_Category_X_Structural_Similarity": 0.70882, "FDA_Category_X_Weighted_Contribution": 0.30954, "FDA_Category_X_Top_Rank": -0.0537951, "FDA_Category_D_and_X_L1000_Similarity": -2.66124, "FDA_Category_D_and_X_Structural_Similarity": -0.115565, "FDA_Category_D_and_X_Weighted_Contribution": -1.22506, "FDA_Category_D_and_X_Top_Rank": -0.0886344, "Placenta_Crossing_L1000_Similarity": -2.8635, "Placenta_Crossing_Structural_Similarity": 0.0205744, "Placenta_Crossing_Weighted_Contribution": -1.14812, "Placenta_Crossing_Top_Rank": -0.0819027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:12560": { "type": "Drug", "properties": { "id": "CID:12560", "label": "erythromycin", "lsm": "LSM-2876", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12560", "IDG_ID": "1048", "FDA_Category_D_L1000_Similarity": 1.01738, "FDA_Category_X_L1000_Similarity": 0.404568, "FDA_Category_D_and_X_L1000_Similarity": 0.999862, "Placenta_Crossing_L1000_Similarity": 1.01569, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O", "InChI_key": "ULGZDMOVFRHVEP-RWJQBGPGSA-N" } }, "CID:1258678": { "type": "Drug", "properties": { "id": "CID:1258678", "label": "st-014075", "lsm": "LSM-4907", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1258678", "FDA_Category_D_L1000_Similarity": 0.122878, "FDA_Category_D_Structural_Similarity": -0.73394, "FDA_Category_D_Weighted_Contribution": -0.661067, "FDA_Category_D_Top_Rank": -0.0910475, "FDA_Category_X_L1000_Similarity": -2.21206, "FDA_Category_X_Structural_Similarity": -0.666419, "FDA_Category_X_Weighted_Contribution": -1.36274, "FDA_Category_X_Top_Rank": -0.0916962, "FDA_Category_D_and_X_L1000_Similarity": -0.565851, "FDA_Category_D_and_X_Structural_Similarity": -0.942135, "FDA_Category_D_and_X_Weighted_Contribution": -1.04644, "FDA_Category_D_and_X_Top_Rank": -0.0953016, "Placenta_Crossing_L1000_Similarity": 0.502324, "Placenta_Crossing_Structural_Similarity": -0.956191, "Placenta_Crossing_Weighted_Contribution": -0.700481, "Placenta_Crossing_Top_Rank": -0.0829037, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C1=C2CCCCC2=CC(=C1C#N)SCC(=O)C3=CC=CS3", "InChI_key": "OWUGRTFMDNGWSS-UHFFFAOYSA-N" } }, "CID:12625909": { "type": "Drug", "properties": { "id": "CID:12625909", "label": "cloxacillin", "lsm": "LSM-5392", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12625909", "FDA_Category_D_L1000_Similarity": 1.28394, "FDA_Category_D_Structural_Similarity": -0.425361, "FDA_Category_D_Weighted_Contribution": 0.197635, "FDA_Category_D_Top_Rank": -0.0390427, "FDA_Category_X_L1000_Similarity": -0.372655, "FDA_Category_X_Structural_Similarity": 0.0368708, "FDA_Category_X_Weighted_Contribution": -0.261084, "FDA_Category_X_Top_Rank": -0.0788728, "FDA_Category_D_and_X_L1000_Similarity": 0.993604, "FDA_Category_D_and_X_Structural_Similarity": -0.31772, "FDA_Category_D_and_X_Weighted_Contribution": 0.0866726, "FDA_Category_D_and_X_Top_Rank": -0.0695239, "Placenta_Crossing_L1000_Similarity": 1.16904, "Placenta_Crossing_Structural_Similarity": 5.70257, "Placenta_Crossing_Weighted_Contribution": 4.2291, "Placenta_Crossing_Top_Rank": 1.64837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:127404": { "type": "Drug", "properties": { "id": "CID:127404", "label": "isamoltan", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/127404", "FDA_Category_D_L1000_Similarity": 0.434461, "FDA_Category_D_Structural_Similarity": -0.395238, "FDA_Category_D_Weighted_Contribution": -0.239697, "FDA_Category_D_Top_Rank": -0.0865591, "FDA_Category_X_L1000_Similarity": -1.19985, "FDA_Category_X_Structural_Similarity": -0.396307, "FDA_Category_X_Weighted_Contribution": -0.928245, "FDA_Category_X_Top_Rank": -0.088158, "FDA_Category_D_and_X_L1000_Similarity": 0.0101423, "FDA_Category_D_and_X_Structural_Similarity": -0.527552, "FDA_Category_D_and_X_Weighted_Contribution": -0.563539, "FDA_Category_D_and_X_Top_Rank": -0.0921062, "Placenta_Crossing_L1000_Similarity": 1.16979, "Placenta_Crossing_Structural_Similarity": 0.985706, "Placenta_Crossing_Weighted_Contribution": 1.48842, "Placenta_Crossing_Top_Rank": -0.0507863, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O", "InChI_key": "XVTVPGKWYHWYAD-UHFFFAOYSA-N" } }, "CID:13292831": { "type": "Drug", "properties": { "id": "CID:13292831", "label": "prostaglandin", "lsm": "LSM-5269", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13292831", "FDA_Category_D_L1000_Similarity": 0.196704, "FDA_Category_D_Structural_Similarity": -0.0290224, "FDA_Category_D_Weighted_Contribution": -0.0337107, "FDA_Category_D_Top_Rank": -0.0857935, "FDA_Category_X_L1000_Similarity": 1.28287, "FDA_Category_X_Structural_Similarity": -0.183374, "FDA_Category_X_Weighted_Contribution": 0.33796, "FDA_Category_X_Top_Rank": -0.0603018, "FDA_Category_D_and_X_L1000_Similarity": 0.559135, "FDA_Category_D_and_X_Structural_Similarity": -0.121983, "FDA_Category_D_and_X_Weighted_Contribution": 0.0416791, "FDA_Category_D_and_X_Top_Rank": -0.084509, "Placenta_Crossing_L1000_Similarity": 1.0605, "Placenta_Crossing_Structural_Similarity": 0.469224, "Placenta_Crossing_Weighted_Contribution": 0.871822, "Placenta_Crossing_Top_Rank": -0.068059, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O", "InChI_key": "BHMBVRSPMRCCGG-SAIQCDIPSA-N" } }, "CID:135400439": { "type": "Drug", "properties": { "id": "CID:135400439", "label": "kf-38789", "lsm": "LSM-1641", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135400439", "FDA_Category_D_L1000_Similarity": 0.239443, "FDA_Category_D_Structural_Similarity": 0.0606818, "FDA_Category_D_Weighted_Contribution": 0.0751318, "FDA_Category_D_Top_Rank": -0.0836659, "FDA_Category_X_L1000_Similarity": -2.56858, "FDA_Category_X_Structural_Similarity": -0.387394, "FDA_Category_X_Weighted_Contribution": -1.31521, "FDA_Category_X_Top_Rank": -0.088005, "FDA_Category_D_and_X_L1000_Similarity": -0.573623, "FDA_Category_D_and_X_Structural_Similarity": -0.160873, "FDA_Category_D_and_X_Weighted_Contribution": -0.533549, "FDA_Category_D_and_X_Top_Rank": -0.0894978, "Placenta_Crossing_L1000_Similarity": -1.63411, "Placenta_Crossing_Structural_Similarity": -0.594594, "Placenta_Crossing_Weighted_Contribution": -1.14371, "Placenta_Crossing_Top_Rank": -0.090517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O", "InChI_key": "NHFIAAAMCYVRIW-UHFFFAOYSA-N" } }, "CID:135564985": { "type": "Drug", "properties": { "id": "CID:135564985", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135564985", "label": "ganetespib", "FDA_Category_D_L1000_Similarity": -2.57225, "FDA_Category_D_Structural_Similarity": -0.500025, "FDA_Category_D_Weighted_Contribution": -1.41047, "FDA_Category_D_Top_Rank": -0.0941084, "FDA_Category_X_L1000_Similarity": -1.24156, "FDA_Category_X_Structural_Similarity": 1.43536, "FDA_Category_X_Weighted_Contribution": 0.723343, "FDA_Category_X_Top_Rank": -0.0131539, "FDA_Category_D_and_X_L1000_Similarity": -2.59437, "FDA_Category_D_and_X_Structural_Similarity": 0.377638, "FDA_Category_D_and_X_Weighted_Contribution": -0.94043, "FDA_Category_D_and_X_Top_Rank": -0.077467, "Placenta_Crossing_L1000_Similarity": -1.61241, "Placenta_Crossing_Structural_Similarity": -0.676848, "Placenta_Crossing_Weighted_Contribution": -1.18007, "Placenta_Crossing_Top_Rank": -0.0911005, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O", "InChI_key": "RVAQIUULWULRNW-UHFFFAOYSA-N" } }, "CID:1403142": { "type": "Drug", "properties": { "id": "CID:1403142", "label": "biochanin-a", "lsm": "LSM-2611", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1403142", "FDA_Category_D_L1000_Similarity": 1.50181, "FDA_Category_D_Structural_Similarity": -0.791696, "FDA_Category_D_Weighted_Contribution": -0.0322362, "FDA_Category_D_Top_Rank": -0.00821648, "FDA_Category_X_L1000_Similarity": -0.333106, "FDA_Category_X_Structural_Similarity": 0.790499, "FDA_Category_X_Weighted_Contribution": 0.514556, "FDA_Category_X_Top_Rank": -0.050173, "FDA_Category_D_and_X_L1000_Similarity": 1.19344, "FDA_Category_D_and_X_Structural_Similarity": -0.20183, "FDA_Category_D_and_X_Weighted_Contribution": 0.307625, "FDA_Category_D_and_X_Top_Rank": -0.0551944, "Placenta_Crossing_L1000_Similarity": 0.950931, "Placenta_Crossing_Structural_Similarity": 0.215577, "Placenta_Crossing_Weighted_Contribution": 0.545443, "Placenta_Crossing_Top_Rank": -0.072155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=CO2)C3=CC=C(C=C3)OC", "InChI_key": "VXOBVHAUXZVHTL-UHFFFAOYSA-N" } }, "CID:14113": { "type": "Drug", "properties": { "id": "CID:14113", "label": "phenibut", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/14113", "FDA_Category_D_L1000_Similarity": 0.865815, "FDA_Category_D_Structural_Similarity": -0.79467, "FDA_Category_D_Weighted_Contribution": -0.365899, "FDA_Category_D_Top_Rank": -0.0730038, "FDA_Category_X_L1000_Similarity": 1.17842, "FDA_Category_X_Structural_Similarity": 0.528142, "FDA_Category_X_Weighted_Contribution": 1.06514, "FDA_Category_X_Top_Rank": -0.0607926, "FDA_Category_D_and_X_L1000_Similarity": 1.10421, "FDA_Category_D_and_X_Structural_Similarity": -0.345757, "FDA_Category_D_and_X_Weighted_Contribution": 0.118934, "FDA_Category_D_and_X_Top_Rank": -0.0624073, "Placenta_Crossing_L1000_Similarity": 0.679158, "Placenta_Crossing_Structural_Similarity": -0.799983, "Placenta_Crossing_Weighted_Contribution": -0.517153, "Placenta_Crossing_Top_Rank": -0.07938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(CC(=O)O)CN", "InChI_key": "DAFOCGYVTAOKAJ-UHFFFAOYSA-N" } }, "CID:148121": { "type": "Drug", "properties": { "id": "CID:148121", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID148121", "label": "pralatrexate", "FDA_Category_D_L1000_Similarity": -1.55418, "FDA_Category_D_Structural_Similarity": 0.683216, "FDA_Category_D_Weighted_Contribution": -0.314359, "FDA_Category_D_Top_Rank": -0.0647211, "FDA_Category_X_L1000_Similarity": -3.72599, "FDA_Category_X_Structural_Similarity": 3.48389, "FDA_Category_X_Weighted_Contribution": 1.63619, "FDA_Category_X_Top_Rank": 0.332133, "FDA_Category_D_and_X_L1000_Similarity": -2.47125, "FDA_Category_D_and_X_Structural_Similarity": 2.42217, "FDA_Category_D_and_X_Weighted_Contribution": 0.895832, "FDA_Category_D_and_X_Top_Rank": 0.0929239, "Placenta_Crossing_L1000_Similarity": -3.40017, "Placenta_Crossing_Structural_Similarity": 1.38094, "Placenta_Crossing_Weighted_Contribution": -0.428608, "Placenta_Crossing_Top_Rank": -0.0280043, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O", "InChI_key": "OGSBUKJUDHAQEA-WMCAAGNKSA-N" } }, "CID:152946": { "type": "Drug", "properties": { "id": "CID:152946", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID152946", "label": "moxifloxacin", "FDA_Category_D_L1000_Similarity": 2.60027, "FDA_Category_X_L1000_Similarity": 0.652743, "FDA_Category_D_and_X_L1000_Similarity": 2.4397, "Placenta_Crossing_L1000_Similarity": 2.89138, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O", "InChI_key": "FABPRXSRWADJSP-MEDUHNTESA-N" } }, "CID:156314": { "type": "Drug", "properties": { "id": "CID:156314", "label": "dipropyl-5ct", "lsm": "LSM-2709", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/156314", "FDA_Category_D_L1000_Similarity": 0.666559, "FDA_Category_D_Structural_Similarity": 0.246916, "FDA_Category_D_Weighted_Contribution": 0.513904, "FDA_Category_D_Top_Rank": -0.0786021, "FDA_Category_X_L1000_Similarity": 0.100216, "FDA_Category_X_Structural_Similarity": 0.306708, "FDA_Category_X_Weighted_Contribution": 0.231824, "FDA_Category_X_Top_Rank": -0.069529, "FDA_Category_D_and_X_L1000_Similarity": 0.605022, "FDA_Category_D_and_X_Structural_Similarity": 0.361479, "FDA_Category_D_and_X_Weighted_Contribution": 0.543605, "FDA_Category_D_and_X_Top_Rank": -0.0780242, "Placenta_Crossing_L1000_Similarity": 0.984881, "Placenta_Crossing_Structural_Similarity": -0.447355, "Placenta_Crossing_Weighted_Contribution": -0.0872096, "Placenta_Crossing_Top_Rank": -0.0709649, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)CCC1=CNC2=C1C=C(C=C2)C(=O)N", "InChI_key": "DPXOFRGRKPFZOD-UHFFFAOYSA-N" } }, "CID:161591": { "type": "Drug", "properties": { "id": "CID:161591", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID161591", "label": "chaetocin", "FDA_Category_D_L1000_Similarity": 0.199754, "FDA_Category_D_Structural_Similarity": -0.260645, "FDA_Category_D_Weighted_Contribution": -0.242198, "FDA_Category_D_Top_Rank": -0.09021, "FDA_Category_X_L1000_Similarity": 0.276619, "FDA_Category_X_Structural_Similarity": -0.627673, "FDA_Category_X_Weighted_Contribution": -0.553471, "FDA_Category_X_Top_Rank": -0.0851711, "FDA_Category_D_and_X_L1000_Similarity": 0.256195, "FDA_Category_D_and_X_Structural_Similarity": -0.545567, "FDA_Category_D_and_X_Weighted_Contribution": -0.471048, "FDA_Category_D_and_X_Top_Rank": -0.089536, "Placenta_Crossing_L1000_Similarity": 0.270138, "Placenta_Crossing_Structural_Similarity": -0.887146, "Placenta_Crossing_Weighted_Contribution": -0.734836, "Placenta_Crossing_Top_Rank": -0.0859776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=O)C23CC4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C", "InChI_key": "PZPPOCZWRGNKIR-UHFFFAOYSA-N" } }, "CID:16759169": { "type": "Drug", "properties": { "id": "CID:16759169", "label": "ACDPP", "lsm": "LSM-15382", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16759169", "FDA_Category_D_L1000_Similarity": 0.989138, "FDA_Category_D_Structural_Similarity": -0.60846, "FDA_Category_D_Weighted_Contribution": -0.140039, "FDA_Category_D_Top_Rank": -0.0658919, "FDA_Category_X_L1000_Similarity": 0.588287, "FDA_Category_X_Structural_Similarity": -0.42183, "FDA_Category_X_Weighted_Contribution": -0.240888, "FDA_Category_X_Top_Rank": -0.0811575, "FDA_Category_D_and_X_L1000_Similarity": 1.03131, "FDA_Category_D_and_X_Structural_Similarity": -0.710561, "FDA_Category_D_and_X_Weighted_Contribution": -0.249165, "FDA_Category_D_and_X_Top_Rank": -0.067179, "Placenta_Crossing_L1000_Similarity": 1.6777, "Placenta_Crossing_Structural_Similarity": -0.391113, "Placenta_Crossing_Weighted_Contribution": 0.302963, "Placenta_Crossing_Top_Rank": -0.0183441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16760141": { "type": "Drug", "properties": { "id": "CID:16760141", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16760141", "label": "Moxidectin", "FDA_Category_D_L1000_Similarity": 0.231301, "FDA_Category_D_Structural_Similarity": -0.759401, "FDA_Category_D_Weighted_Contribution": -0.632855, "FDA_Category_D_Top_Rank": -0.0898175, "FDA_Category_X_L1000_Similarity": 1.0638, "FDA_Category_X_Structural_Similarity": 0.126747, "FDA_Category_X_Weighted_Contribution": 0.552856, "FDA_Category_X_Top_Rank": -0.0694091, "FDA_Category_D_and_X_L1000_Similarity": 0.522446, "FDA_Category_D_and_X_Structural_Similarity": -0.534355, "FDA_Category_D_and_X_Weighted_Contribution": -0.341238, "FDA_Category_D_and_X_Top_Rank": -0.0852499, "Placenta_Crossing_L1000_Similarity": 0.26571, "Placenta_Crossing_Structural_Similarity": 1.57977, "Placenta_Crossing_Weighted_Contribution": 1.63307, "Placenta_Crossing_Top_Rank": -0.014506, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16760312": { "type": "Drug", "properties": { "id": "CID:16760312", "label": "inhibitor-bec", "lsm": "LSM-6251", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760312", "FDA_Category_D_L1000_Similarity": 0.916834, "FDA_Category_D_Structural_Similarity": 0.726833, "FDA_Category_D_Weighted_Contribution": 1.18854, "FDA_Category_D_Top_Rank": -0.0631986, "FDA_Category_X_L1000_Similarity": -1.70262, "FDA_Category_X_Structural_Similarity": -0.161079, "FDA_Category_X_Weighted_Contribution": -0.939088, "FDA_Category_X_Top_Rank": -0.0836663, "FDA_Category_D_and_X_L1000_Similarity": 0.273272, "FDA_Category_D_and_X_Structural_Similarity": 0.489979, "FDA_Category_D_and_X_Weighted_Contribution": 0.484731, "FDA_Category_D_and_X_Top_Rank": -0.0742041, "Placenta_Crossing_L1000_Similarity": 0.476107, "Placenta_Crossing_Structural_Similarity": -0.116546, "Placenta_Crossing_Weighted_Contribution": -0.020316, "Placenta_Crossing_Top_Rank": -0.0833391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B(CCSCC(C(=O)O)N)(O)O", "InChI_key": "OTJHLDXXJHAZTN-SCSAIBSYSA-N" } }, "CID:167683": { "type": "Drug", "properties": { "id": "CID:167683", "label": "leucodin", "lsm": "LSM-4167", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/167683", "FDA_Category_D_L1000_Similarity": 1.48234, "FDA_Category_D_Structural_Similarity": -0.379394, "FDA_Category_D_Weighted_Contribution": 0.360519, "FDA_Category_D_Top_Rank": -0.0127007, "FDA_Category_X_L1000_Similarity": 1.57802, "FDA_Category_X_Structural_Similarity": -0.293586, "FDA_Category_X_Weighted_Contribution": 0.377584, "FDA_Category_X_Top_Rank": -0.0414525, "FDA_Category_D_and_X_L1000_Similarity": 1.75703, "FDA_Category_D_and_X_Structural_Similarity": -0.459549, "FDA_Category_D_and_X_Weighted_Contribution": 0.365633, "FDA_Category_D_and_X_Top_Rank": 0.0245532, "Placenta_Crossing_L1000_Similarity": 2.27022, "Placenta_Crossing_Structural_Similarity": -0.79607, "Placenta_Crossing_Weighted_Contribution": 0.19977, "Placenta_Crossing_Top_Rank": 0.141266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C", "InChI_key": "BJPSSVHNEGMBDQ-NUZBWSBOSA-N" } }, "CID:1716436": { "type": "Drug", "properties": { "id": "CID:1716436", "label": "JMW-MITF1", "lsm": "LSM-19709", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1716436", "FDA_Category_D_L1000_Similarity": -0.270632, "FDA_Category_X_L1000_Similarity": 0.677459, "FDA_Category_D_and_X_L1000_Similarity": -0.0275582, "Placenta_Crossing_L1000_Similarity": 0.328032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:176408": { "type": "Drug", "properties": { "id": "CID:176408", "label": "sch-58261", "lsm": "LSM-3822", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/176408", "FDA_Category_D_L1000_Similarity": -1.23285, "FDA_Category_D_Structural_Similarity": -0.819286, "FDA_Category_D_Weighted_Contribution": -1.20277, "FDA_Category_D_Top_Rank": -0.0965636, "FDA_Category_X_L1000_Similarity": 0.00963674, "FDA_Category_X_Structural_Similarity": 0.519433, "FDA_Category_X_Weighted_Contribution": 0.407565, "FDA_Category_X_Top_Rank": -0.0611461, "FDA_Category_D_and_X_L1000_Similarity": -1.05981, "FDA_Category_D_and_X_Structural_Similarity": -0.369994, "FDA_Category_D_and_X_Weighted_Contribution": -0.870699, "FDA_Category_D_and_X_Top_Rank": -0.0926242, "Placenta_Crossing_L1000_Similarity": -0.971554, "Placenta_Crossing_Structural_Similarity": -0.737252, "Placenta_Crossing_Weighted_Contribution": -1.03852, "Placenta_Crossing_Top_Rank": -0.0914387, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5", "InChI_key": "UTLPKQYUXOEJIL-UHFFFAOYSA-N" } }, "CID:17748": { "type": "Drug", "properties": { "id": "CID:17748", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID17748", "label": "quinoclamine", "FDA_Category_D_L1000_Similarity": -0.548391, "FDA_Category_D_Structural_Similarity": -0.726782, "FDA_Category_D_Weighted_Contribution": -0.924529, "FDA_Category_D_Top_Rank": -0.095305, "FDA_Category_X_L1000_Similarity": 0.110364, "FDA_Category_X_Structural_Similarity": 0.0311894, "FDA_Category_X_Weighted_Contribution": -0.0392744, "FDA_Category_X_Top_Rank": -0.0790064, "FDA_Category_D_and_X_L1000_Similarity": -0.439206, "FDA_Category_D_and_X_Structural_Similarity": -0.560027, "FDA_Category_D_and_X_Weighted_Contribution": -0.767182, "FDA_Category_D_and_X_Top_Rank": -0.0944834, "Placenta_Crossing_L1000_Similarity": -0.160497, "Placenta_Crossing_Structural_Similarity": -1.01851, "Placenta_Crossing_Weighted_Contribution": -0.962278, "Placenta_Crossing_Top_Rank": -0.0893537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N", "InChI_key": "OBLNWSCLAYSJJR-UHFFFAOYSA-N" } }, "CID:17755052": { "type": "Drug", "properties": { "id": "CID:17755052", "label": "pictilisib", "lsm": "LSM-1047", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17755052", "FDA_Category_D_L1000_Similarity": -2.11958, "FDA_Category_X_L1000_Similarity": 1.11451, "FDA_Category_D_and_X_L1000_Similarity": -1.48865, "Placenta_Crossing_L1000_Similarity": -1.17339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6", "InChI_key": "LHNIIDJUOCFXAP-UHFFFAOYSA-N" } }, "CID:19003": { "type": "Drug", "properties": { "id": "CID:19003", "label": "cyclacillin", "lsm": "LSM-3987", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19003", "FDA_Category_D_L1000_Similarity": 1.22113, "FDA_Category_D_Structural_Similarity": -0.406657, "FDA_Category_D_Weighted_Contribution": 0.179803, "FDA_Category_D_Top_Rank": -0.0466678, "FDA_Category_X_L1000_Similarity": 1.34286, "FDA_Category_X_Structural_Similarity": -0.384907, "FDA_Category_X_Weighted_Contribution": 0.160261, "FDA_Category_X_Top_Rank": -0.0565301, "FDA_Category_D_and_X_L1000_Similarity": 1.46044, "FDA_Category_D_and_X_Structural_Similarity": -0.530463, "FDA_Category_D_and_X_Weighted_Contribution": 0.133245, "FDA_Category_D_and_X_Top_Rank": -0.0284738, "Placenta_Crossing_L1000_Similarity": 1.91982, "Placenta_Crossing_Structural_Similarity": 8.23767, "Placenta_Crossing_Weighted_Contribution": 4.42454, "Placenta_Crossing_Top_Rank": 17.9509, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCCC3)N)C(=O)O)C", "InChI_key": "HGBLNBBNRORJKI-WCABBAIRSA-N" } }, "CID:193949": { "type": "Drug", "properties": { "id": "CID:193949", "label": "carpindolol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/193949", "FDA_Category_D_L1000_Similarity": -0.556071, "FDA_Category_D_Structural_Similarity": -0.371783, "FDA_Category_D_Weighted_Contribution": -0.686981, "FDA_Category_D_Top_Rank": -0.092531, "FDA_Category_X_L1000_Similarity": 3.00912, "FDA_Category_X_Structural_Similarity": 0.0252077, "FDA_Category_X_Weighted_Contribution": 1.53603, "FDA_Category_X_Top_Rank": 0.554953, "FDA_Category_D_and_X_L1000_Similarity": 0.434481, "FDA_Category_D_and_X_Structural_Similarity": -0.281487, "FDA_Category_D_and_X_Weighted_Contribution": -0.166919, "FDA_Category_D_and_X_Top_Rank": -0.086955, "Placenta_Crossing_L1000_Similarity": -1.26955, "Placenta_Crossing_Structural_Similarity": -0.142196, "Placenta_Crossing_Weighted_Contribution": -0.759886, "Placenta_Crossing_Top_Rank": -0.085048, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O", "InChI_key": "SJYFDORQYYEJLB-UHFFFAOYSA-N" } }, "CID:2022": { "type": "Drug", "properties": { "id": "CID:2022", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2022", "label": "acyclovir", "ref": "LSM-5459", "FDA_Category_D_L1000_Similarity": 0.349138, "FDA_Category_D_Structural_Similarity": -0.617351, "FDA_Category_D_Weighted_Contribution": -0.468962, "FDA_Category_D_Top_Rank": -0.0880042, "FDA_Category_X_L1000_Similarity": 2.38877, "FDA_Category_X_Structural_Similarity": -0.286152, "FDA_Category_X_Weighted_Contribution": 0.829475, "FDA_Category_X_Top_Rank": 0.108091, "FDA_Category_D_and_X_L1000_Similarity": 1.02639, "FDA_Category_D_and_X_Structural_Similarity": -0.644407, "FDA_Category_D_and_X_Weighted_Contribution": -0.194243, "FDA_Category_D_and_X_Top_Rank": -0.0673795, "Placenta_Crossing_L1000_Similarity": 1.70542, "Placenta_Crossing_Structural_Similarity": 2.4859, "Placenta_Crossing_Weighted_Contribution": 3.12134, "Placenta_Crossing_Top_Rank": 0.0871114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=NC2=C(N1COCCO)NC(=NC2=O)N", "InChI_key": "MKUXAQIIEYXACX-UHFFFAOYSA-N" } }, "CID:208902": { "type": "Drug", "properties": { "id": "CID:208902", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID208902", "label": "ramelteon", "FDA_Category_D_L1000_Similarity": 1.77161, "FDA_Category_D_Structural_Similarity": 0.220915, "FDA_Category_D_Weighted_Contribution": 1.18266, "FDA_Category_D_Top_Rank": 0.0647738, "FDA_Category_X_L1000_Similarity": 1.22573, "FDA_Category_X_Structural_Similarity": -0.280456, "FDA_Category_X_Weighted_Contribution": 0.207145, "FDA_Category_X_Top_Rank": -0.0631223, "FDA_Category_D_and_X_L1000_Similarity": 1.89939, "FDA_Category_D_and_X_Structural_Similarity": 0.0240098, "FDA_Category_D_and_X_Weighted_Contribution": 0.951031, "FDA_Category_D_and_X_Top_Rank": 0.0605419, "Placenta_Crossing_L1000_Similarity": 2.26171, "Placenta_Crossing_Structural_Similarity": 0.321135, "Placenta_Crossing_Weighted_Contribution": 1.36936, "Placenta_Crossing_Top_Rank": 0.137099, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3", "InChI_key": "YLXDSYKOBKBWJQ-LBPRGKRZSA-N" } }, "CID:2148": { "type": "Drug", "properties": { "id": "CID:2148", "label": "aminohippuric acid", "lsm": "LSM-5739", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2148", "FDA_Category_D_L1000_Similarity": 0.911121, "FDA_Category_D_Structural_Similarity": 0.57969, "FDA_Category_D_Weighted_Contribution": 1.024, "FDA_Category_D_Top_Rank": -0.0680744, "FDA_Category_X_L1000_Similarity": 0.194381, "FDA_Category_X_Structural_Similarity": -0.67241, "FDA_Category_X_Weighted_Contribution": -0.622173, "FDA_Category_X_Top_Rank": -0.0860115, "FDA_Category_D_and_X_L1000_Similarity": 0.844437, "FDA_Category_D_and_X_Structural_Similarity": 0.0972774, "FDA_Category_D_and_X_Weighted_Contribution": 0.411134, "FDA_Category_D_and_X_Top_Rank": -0.076187, "Placenta_Crossing_L1000_Similarity": 0.364637, "Placenta_Crossing_Structural_Similarity": -0.519084, "Placenta_Crossing_Weighted_Contribution": -0.420583, "Placenta_Crossing_Top_Rank": -0.0848865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)NCC(=O)O)N", "InChI_key": "HSMNQINEKMPTIC-UHFFFAOYSA-N" } }, "CID:2187": { "type": "Drug", "properties": { "id": "CID:2187", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2187", "label": "anastrozole", "ref": "LSM-5631", "FDA_Category_D_L1000_Similarity": 1.3928, "FDA_Category_D_Structural_Similarity": 1.38562, "FDA_Category_D_Weighted_Contribution": 2.18636, "FDA_Category_D_Top_Rank": -0.0253218, "FDA_Category_X_L1000_Similarity": 1.84686, "FDA_Category_X_Structural_Similarity": 0.695673, "FDA_Category_X_Weighted_Contribution": 1.63671, "FDA_Category_X_Top_Rank": -0.0132864, "FDA_Category_D_and_X_L1000_Similarity": 1.76148, "FDA_Category_D_and_X_Structural_Similarity": 1.47517, "FDA_Category_D_and_X_Weighted_Contribution": 2.36574, "FDA_Category_D_and_X_Top_Rank": 0.0254096, "Placenta_Crossing_L1000_Similarity": 2.67233, "Placenta_Crossing_Structural_Similarity": -0.708337, "Placenta_Crossing_Weighted_Contribution": 0.493104, "Placenta_Crossing_Top_Rank": 0.443151, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N", "InChI_key": "YBBLVLTVTVSKRW-UHFFFAOYSA-N" } }, "CID:2208391": { "type": "Drug", "properties": { "id": "CID:2208391", "label": "bjm-hsc2-10", "lsm": "LSM-4766", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2208391", "FDA_Category_D_L1000_Similarity": -0.448041, "FDA_Category_D_Structural_Similarity": 0.332022, "FDA_Category_D_Weighted_Contribution": -0.049119, "FDA_Category_D_Top_Rank": -0.0763482, "FDA_Category_X_L1000_Similarity": -1.23626, "FDA_Category_X_Structural_Similarity": -0.715895, "FDA_Category_X_Weighted_Contribution": -1.13691, "FDA_Category_X_Top_Rank": -0.0915857, "FDA_Category_D_and_X_L1000_Similarity": -0.761652, "FDA_Category_D_and_X_Structural_Similarity": -0.122764, "FDA_Category_D_and_X_Weighted_Contribution": -0.584464, "FDA_Category_D_and_X_Top_Rank": -0.0887989, "Placenta_Crossing_L1000_Similarity": -0.19988, "Placenta_Crossing_Structural_Similarity": -0.212569, "Placenta_Crossing_Weighted_Contribution": -0.404176, "Placenta_Crossing_Top_Rank": -0.0861058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC", "InChI_key": "PCHRYHSDDPPZBV-UHFFFAOYSA-N" } }, "CID:22152353": { "type": "Drug", "properties": { "id": "CID:22152353", "label": "ORG-9768", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22152353", "FDA_Category_D_L1000_Similarity": 0.638492, "FDA_Category_D_Structural_Similarity": 1.41827, "FDA_Category_D_Weighted_Contribution": 1.76235, "FDA_Category_D_Top_Rank": -0.0251103, "FDA_Category_X_L1000_Similarity": 0.692899, "FDA_Category_X_Structural_Similarity": -0.569037, "FDA_Category_X_Weighted_Contribution": -0.326399, "FDA_Category_X_Top_Rank": -0.0792679, "FDA_Category_D_and_X_L1000_Similarity": 0.76081, "FDA_Category_D_and_X_Structural_Similarity": 0.818654, "FDA_Category_D_and_X_Weighted_Contribution": 1.11817, "FDA_Category_D_and_X_Top_Rank": -0.0625791, "Placenta_Crossing_L1000_Similarity": 0.2955, "Placenta_Crossing_Structural_Similarity": 2.33715, "Placenta_Crossing_Weighted_Contribution": 2.41056, "Placenta_Crossing_Top_Rank": 0.0667585, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2264": { "type": "Drug", "properties": { "id": "CID:2264", "label": "azasetron", "lsm": "LSM-1565", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2264", "IDG_ID": "267", "FDA_Category_D_L1000_Similarity": 0.727218, "FDA_Category_D_Structural_Similarity": -0.348513, "FDA_Category_D_Weighted_Contribution": -0.0419602, "FDA_Category_D_Top_Rank": -0.0787686, "FDA_Category_X_L1000_Similarity": 0.429403, "FDA_Category_X_Structural_Similarity": -0.498045, "FDA_Category_X_Weighted_Contribution": -0.379951, "FDA_Category_X_Top_Rank": -0.083417, "FDA_Category_D_and_X_L1000_Similarity": 0.75727, "FDA_Category_D_and_X_Structural_Similarity": -0.545362, "FDA_Category_D_and_X_Weighted_Contribution": -0.239209, "FDA_Category_D_and_X_Top_Rank": -0.0793165, "Placenta_Crossing_L1000_Similarity": 1.95331, "Placenta_Crossing_Structural_Similarity": -0.214844, "Placenta_Crossing_Weighted_Contribution": 0.626851, "Placenta_Crossing_Top_Rank": 0.0331005, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4", "InChI_key": "WUKZPHOXUVCQOR-UHFFFAOYSA-N" } }, "CID:2266": { "type": "Drug", "properties": { "id": "CID:2266", "label": "azelaic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2266", "FDA_Category_D_L1000_Similarity": 1.64995, "FDA_Category_D_Structural_Similarity": 0.353897, "FDA_Category_D_Weighted_Contribution": 1.25026, "FDA_Category_D_Top_Rank": 0.027674, "FDA_Category_X_L1000_Similarity": 0.744139, "FDA_Category_X_Structural_Similarity": 0.404824, "FDA_Category_X_Weighted_Contribution": 0.68248, "FDA_Category_X_Top_Rank": -0.0656657, "FDA_Category_D_and_X_L1000_Similarity": 1.64827, "FDA_Category_D_and_X_Structural_Similarity": 0.499334, "FDA_Category_D_and_X_Weighted_Contribution": 1.30899, "FDA_Category_D_and_X_Top_Rank": 0.000975658, "Placenta_Crossing_L1000_Similarity": 0.630337, "Placenta_Crossing_Structural_Similarity": 1.11425, "Placenta_Crossing_Weighted_Contribution": 1.33214, "Placenta_Crossing_Top_Rank": -0.0447674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CCCC(=O)O)CCCC(=O)O", "InChI_key": "BDJRBEYXGGNYIS-UHFFFAOYSA-N" } }, "CID:2335": { "type": "Drug", "properties": { "id": "CID:2335", "label": "benzethonium", "lsm": "LSM-5804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2335", "IDG_ID": "3018", "FDA_Category_D_L1000_Similarity": -3.05859, "FDA_Category_D_Structural_Similarity": -0.666927, "FDA_Category_D_Weighted_Contribution": -1.56872, "FDA_Category_D_Top_Rank": -0.0956006, "FDA_Category_X_L1000_Similarity": -1.58256, "FDA_Category_X_Structural_Similarity": 0.326994, "FDA_Category_X_Weighted_Contribution": -0.533624, "FDA_Category_X_Top_Rank": -0.0686366, "FDA_Category_D_and_X_L1000_Similarity": -3.11714, "FDA_Category_D_and_X_Structural_Similarity": -0.352904, "FDA_Category_D_and_X_Weighted_Contribution": -1.43029, "FDA_Category_D_and_X_Top_Rank": -0.0923804, "Placenta_Crossing_L1000_Similarity": -3.66962, "Placenta_Crossing_Structural_Similarity": -0.00813827, "Placenta_Crossing_Weighted_Contribution": -1.35164, "Placenta_Crossing_Top_Rank": -0.0824655, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2", "InChI_key": "SIYLLGKDQZGJHK-UHFFFAOYSA-N" } }, "CID:2419": { "type": "Drug", "properties": { "id": "CID:2419", "label": "bmy-7378", "lsm": "LSM-2673", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2419", "FDA_Category_D_L1000_Similarity": 1.48346, "FDA_Category_D_Structural_Similarity": -0.381777, "FDA_Category_D_Weighted_Contribution": 0.358756, "FDA_Category_D_Top_Rank": -0.011838, "FDA_Category_X_L1000_Similarity": 0.0556662, "FDA_Category_X_Structural_Similarity": -0.348782, "FDA_Category_X_Weighted_Contribution": -0.41265, "FDA_Category_X_Top_Rank": -0.0871982, "FDA_Category_D_and_X_L1000_Similarity": 1.29567, "FDA_Category_D_and_X_Structural_Similarity": -0.491223, "FDA_Category_D_and_X_Weighted_Contribution": 0.0827267, "FDA_Category_D_and_X_Top_Rank": -0.0473512, "Placenta_Crossing_L1000_Similarity": 1.00381, "Placenta_Crossing_Structural_Similarity": -0.845509, "Placenta_Crossing_Weighted_Contribution": -0.422343, "Placenta_Crossing_Top_Rank": -0.0702557, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O", "InChI_key": "AYYCFGDXLUPJAQ-UHFFFAOYSA-N" } }, "CID:2435": { "type": "Drug", "properties": { "id": "CID:2435", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2435", "label": "brimonidine", "ref": "LSM-3526", "FDA_Category_D_L1000_Similarity": 1.02356, "FDA_Category_D_Structural_Similarity": 0.17261, "FDA_Category_D_Weighted_Contribution": 0.655862, "FDA_Category_D_Top_Rank": -0.0640413, "FDA_Category_X_L1000_Similarity": 2.5368, "FDA_Category_X_Structural_Similarity": 0.10125, "FDA_Category_X_Weighted_Contribution": 1.35344, "FDA_Category_X_Top_Rank": 0.181378, "FDA_Category_D_and_X_L1000_Similarity": 1.6527, "FDA_Category_D_and_X_Structural_Similarity": 0.191637, "FDA_Category_D_and_X_Weighted_Contribution": 0.98232, "FDA_Category_D_and_X_Top_Rank": 0.00116444, "Placenta_Crossing_L1000_Similarity": 1.91291, "Placenta_Crossing_Structural_Similarity": 1.12185, "Placenta_Crossing_Weighted_Contribution": 2.02585, "Placenta_Crossing_Top_Rank": 0.0233543, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br", "InChI_key": "XYLJNLCSTIOKRM-UHFFFAOYSA-N" } }, "CID:2442": { "type": "Drug", "properties": { "id": "CID:2442", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2442", "label": "bromhexine", "FDA_Category_D_L1000_Similarity": 0.751452, "FDA_Category_D_Structural_Similarity": 1.15245, "FDA_Category_D_Weighted_Contribution": 1.54751, "FDA_Category_D_Top_Rank": -0.0428759, "FDA_Category_X_L1000_Similarity": 0.217037, "FDA_Category_X_Structural_Similarity": -0.686925, "FDA_Category_X_Weighted_Contribution": -0.624673, "FDA_Category_X_Top_Rank": -0.0857558, "FDA_Category_D_and_X_L1000_Similarity": 0.713667, "FDA_Category_D_and_X_Structural_Similarity": 0.544054, "FDA_Category_D_and_X_Weighted_Contribution": 0.797578, "FDA_Category_D_and_X_Top_Rank": -0.0725176, "Placenta_Crossing_L1000_Similarity": 1.5664, "Placenta_Crossing_Structural_Similarity": -0.0846438, "Placenta_Crossing_Weighted_Contribution": 0.55791, "Placenta_Crossing_Top_Rank": -0.0323726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2", "InChI_key": "OJGDCBLYJGHCIH-UHFFFAOYSA-N" } }, "CID:24747195": { "type": "Drug", "properties": { "id": "CID:24747195", "label": "psh-026", "lsm": "LSM-3853", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747195", "FDA_Category_D_L1000_Similarity": 0.31269, "FDA_Category_D_Structural_Similarity": -0.428974, "FDA_Category_D_Weighted_Contribution": -0.330561, "FDA_Category_D_Top_Rank": -0.0886635, "FDA_Category_X_L1000_Similarity": 1.4133, "FDA_Category_X_Structural_Similarity": -0.676069, "FDA_Category_X_Weighted_Contribution": -0.0925109, "FDA_Category_X_Top_Rank": -0.0523835, "FDA_Category_D_and_X_L1000_Similarity": 0.69874, "FDA_Category_D_and_X_Structural_Similarity": -0.705286, "FDA_Category_D_and_X_Weighted_Contribution": -0.400417, "FDA_Category_D_and_X_Top_Rank": -0.0812689, "Placenta_Crossing_L1000_Similarity": 0.887545, "Placenta_Crossing_Structural_Similarity": -1.0354, "Placenta_Crossing_Weighted_Contribution": -0.615921, "Placenta_Crossing_Top_Rank": -0.0740227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CO4)C5=CC=CC=C5N2)C", "InChI_key": "HXQRPYYCCBMJJT-MRXNPFEDSA-N" } }, "CID:24770514": { "type": "Drug", "properties": { "id": "CID:24770514", "label": "cpi-613", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24770514", "FDA_Category_D_L1000_Similarity": -0.00240277, "FDA_Category_D_Structural_Similarity": -0.0213652, "FDA_Category_D_Weighted_Contribution": -0.13417, "FDA_Category_D_Top_Rank": -0.085635, "FDA_Category_X_L1000_Similarity": 0.773122, "FDA_Category_X_Structural_Similarity": 0.264217, "FDA_Category_X_Weighted_Contribution": 0.544164, "FDA_Category_X_Top_Rank": -0.0711733, "FDA_Category_D_and_X_L1000_Similarity": 0.232711, "FDA_Category_D_and_X_Structural_Similarity": 0.125613, "FDA_Category_D_and_X_Weighted_Contribution": 0.102601, "FDA_Category_D_and_X_Top_Rank": -0.0833523, "Placenta_Crossing_L1000_Similarity": -0.226564, "Placenta_Crossing_Structural_Similarity": 0.317179, "Placenta_Crossing_Weighted_Contribution": 0.052105, "Placenta_Crossing_Top_Rank": -0.0746186, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2", "InChI_key": "ZYRLHJIMTROTBO-UHFFFAOYSA-N" } }, "CID:24788740": { "type": "Drug", "properties": { "id": "CID:24788740", "label": "ipatasertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24788740", "FDA_Category_D_L1000_Similarity": -0.741347, "FDA_Category_D_Structural_Similarity": 0.127439, "FDA_Category_D_Weighted_Contribution": -0.381826, "FDA_Category_D_Top_Rank": -0.0818399, "FDA_Category_X_L1000_Similarity": 0.657472, "FDA_Category_X_Structural_Similarity": 1.72249, "FDA_Category_X_Weighted_Contribution": 2.11433, "FDA_Category_X_Top_Rank": 0.00767595, "FDA_Category_D_and_X_L1000_Similarity": -0.439395, "FDA_Category_D_and_X_Structural_Similarity": 1.0306, "FDA_Category_D_and_X_Weighted_Contribution": 0.630102, "FDA_Category_D_and_X_Top_Rank": -0.0514079, "Placenta_Crossing_L1000_Similarity": -0.44677, "Placenta_Crossing_Structural_Similarity": 1.17532, "Placenta_Crossing_Weighted_Contribution": 0.809287, "Placenta_Crossing_Top_Rank": -0.0408444, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC=C(C=C4)Cl)O", "InChI_key": "GRZXWCHAXNAUHY-NSISKUIASA-N" } }, "CID:24856224": { "type": "Drug", "properties": { "id": "CID:24856224", "label": "fu-jmbii113b", "lsm": "LSM-3364", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24856224", "FDA_Category_D_L1000_Similarity": 0.462976, "FDA_Category_D_Structural_Similarity": -0.716993, "FDA_Category_D_Weighted_Contribution": -0.495388, "FDA_Category_D_Top_Rank": -0.0859543, "FDA_Category_X_L1000_Similarity": 0.890406, "FDA_Category_X_Structural_Similarity": -0.519045, "FDA_Category_X_Weighted_Contribution": -0.191147, "FDA_Category_X_Top_Rank": -0.0746829, "FDA_Category_D_and_X_L1000_Similarity": 0.669494, "FDA_Category_D_and_X_Structural_Similarity": -0.849162, "FDA_Category_D_and_X_Weighted_Contribution": -0.526984, "FDA_Category_D_and_X_Top_Rank": -0.0819798, "Placenta_Crossing_L1000_Similarity": 1.03627, "Placenta_Crossing_Structural_Similarity": 0.575002, "Placenta_Crossing_Weighted_Contribution": 0.97215, "Placenta_Crossing_Top_Rank": -0.067455, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2", "InChI_key": "PCIUZCZLNGIZPT-INIZCTEOSA-N" } }, "CID:24856436": { "type": "Drug", "properties": { "id": "CID:24856436", "label": "mk-1775", "lsm": "LSM-1153", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24856436", "FDA_Category_D_L1000_Similarity": -0.773918, "FDA_Category_D_Structural_Similarity": 0.500807, "FDA_Category_D_Weighted_Contribution": -0.0695921, "FDA_Category_D_Top_Rank": -0.0709975, "FDA_Category_X_L1000_Similarity": -1.37536, "FDA_Category_X_Structural_Similarity": -0.464123, "FDA_Category_X_Weighted_Contribution": -1.02832, "FDA_Category_X_Top_Rank": -0.0892836, "FDA_Category_D_and_X_L1000_Similarity": -1.0848, "FDA_Category_D_and_X_Structural_Similarity": 0.147058, "FDA_Category_D_and_X_Weighted_Contribution": -0.517114, "FDA_Category_D_and_X_Top_Rank": -0.0829527, "Placenta_Crossing_L1000_Similarity": -1.74026, "Placenta_Crossing_Structural_Similarity": -0.138415, "Placenta_Crossing_Weighted_Contribution": -0.914026, "Placenta_Crossing_Top_Rank": -0.084976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O", "InChI_key": "BKWJAKQVGHWELA-UHFFFAOYSA-N" } }, "CID:24871028": { "type": "Drug", "properties": { "id": "CID:24871028", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24871028", "label": "Nystatin", "FDA_Category_D_L1000_Similarity": -0.652383, "FDA_Category_D_Structural_Similarity": 0.538911, "FDA_Category_D_Weighted_Contribution": 0.0330229, "FDA_Category_D_Top_Rank": -0.0696874, "FDA_Category_X_L1000_Similarity": 0.560992, "FDA_Category_X_Structural_Similarity": -0.101351, "FDA_Category_X_Weighted_Contribution": 0.051978, "FDA_Category_X_Top_Rank": -0.0816285, "FDA_Category_D_and_X_L1000_Similarity": -0.391995, "FDA_Category_D_and_X_Structural_Similarity": 0.373052, "FDA_Category_D_and_X_Weighted_Contribution": 0.00615304, "FDA_Category_D_and_X_Top_Rank": -0.0776255, "Placenta_Crossing_L1000_Similarity": -0.171165, "Placenta_Crossing_Structural_Similarity": 1.7504, "Placenta_Crossing_Weighted_Contribution": 1.57876, "Placenta_Crossing_Top_Rank": 0.00500933, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24964624": { "type": "Drug", "properties": { "id": "CID:24964624", "label": "mk-2206", "lsm": "LSM-1057", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24964624", "FDA_Category_D_L1000_Similarity": -2.07152, "FDA_Category_D_Structural_Similarity": -0.242964, "FDA_Category_D_Weighted_Contribution": -1.15918, "FDA_Category_D_Top_Rank": -0.0903281, "FDA_Category_X_L1000_Similarity": 1.93161, "FDA_Category_X_Structural_Similarity": -0.686407, "FDA_Category_X_Weighted_Contribution": 0.153259, "FDA_Category_X_Top_Rank": 3.49237e-05, "FDA_Category_D_and_X_L1000_Similarity": -1.19908, "FDA_Category_D_and_X_Structural_Similarity": -0.563227, "FDA_Category_D_and_X_Weighted_Contribution": -1.03304, "FDA_Category_D_and_X_Top_Rank": -0.0945063, "Placenta_Crossing_L1000_Similarity": -1.5211, "Placenta_Crossing_Structural_Similarity": -0.621648, "Placenta_Crossing_Weighted_Contribution": -1.12787, "Placenta_Crossing_Top_Rank": -0.090721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N", "InChI_key": "ULDXWLCXEDXJGE-UHFFFAOYSA-N" } }, "CID:25118059": { "type": "Drug", "properties": { "id": "CID:25118059", "label": "BG-1005", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25118059", "FDA_Category_D_L1000_Similarity": -0.223977, "FDA_Category_D_Structural_Similarity": 1.53328, "FDA_Category_D_Weighted_Contribution": 1.34004, "FDA_Category_D_Top_Rank": -0.0132667, "FDA_Category_X_L1000_Similarity": -1.10746, "FDA_Category_X_Structural_Similarity": -0.282015, "FDA_Category_X_Weighted_Contribution": -0.817783, "FDA_Category_X_Top_Rank": -0.0861624, "FDA_Category_D_and_X_L1000_Similarity": -0.529392, "FDA_Category_D_and_X_Structural_Similarity": 1.06481, "FDA_Category_D_and_X_Weighted_Contribution": 0.613241, "FDA_Category_D_and_X_Top_Rank": -0.0491291, "Placenta_Crossing_L1000_Similarity": -0.102684, "Placenta_Crossing_Structural_Similarity": 0.271885, "Placenta_Crossing_Weighted_Contribution": 0.0687458, "Placenta_Crossing_Top_Rank": -0.0757926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25151504": { "type": "Drug", "properties": { "id": "CID:25151504", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25151504", "label": "cobicistat", "FDA_Category_D_L1000_Similarity": 0.714115, "FDA_Category_D_Structural_Similarity": -0.322127, "FDA_Category_D_Weighted_Contribution": -0.0244548, "FDA_Category_D_Top_Rank": -0.0791451, "FDA_Category_X_L1000_Similarity": -0.263726, "FDA_Category_X_Structural_Similarity": 0.111588, "FDA_Category_X_Weighted_Contribution": -0.141448, "FDA_Category_X_Top_Rank": -0.0767345, "FDA_Category_D_and_X_L1000_Similarity": 0.535484, "FDA_Category_D_and_X_Structural_Similarity": -0.195464, "FDA_Category_D_and_X_Weighted_Contribution": -0.0386458, "FDA_Category_D_and_X_Top_Rank": -0.0850097, "Placenta_Crossing_L1000_Similarity": 0.43287, "Placenta_Crossing_Structural_Similarity": -0.436004, "Placenta_Crossing_Weighted_Contribution": -0.32313, "Placenta_Crossing_Top_Rank": -0.0840088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5", "InChI_key": "ZCIGNRJZKPOIKD-CQXVEOKZSA-N" } }, "CID:25195294": { "type": "Drug", "properties": { "id": "CID:25195294", "label": "ldn-193189", "lsm": "LSM-1115", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25195294", "FDA_Category_D_L1000_Similarity": -0.364793, "FDA_Category_D_Structural_Similarity": 0.748515, "FDA_Category_D_Weighted_Contribution": 0.40787, "FDA_Category_D_Top_Rank": -0.0624056, "FDA_Category_X_L1000_Similarity": -1.25385, "FDA_Category_X_Structural_Similarity": 0.268791, "FDA_Category_X_Weighted_Contribution": -0.444907, "FDA_Category_X_Top_Rank": -0.0709867, "FDA_Category_D_and_X_L1000_Similarity": -0.695227, "FDA_Category_D_and_X_Structural_Similarity": 0.739144, "FDA_Category_D_and_X_Weighted_Contribution": 0.192184, "FDA_Category_D_and_X_Top_Rank": -0.0659271, "Placenta_Crossing_L1000_Similarity": -0.194146, "Placenta_Crossing_Structural_Similarity": -0.403698, "Placenta_Crossing_Weighted_Contribution": -0.553286, "Placenta_Crossing_Top_Rank": -0.0887508, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3", "InChI_key": "CDOVNWNANFFLFJ-UHFFFAOYSA-N" } }, "CID:25419": { "type": "Drug", "properties": { "id": "CID:25419", "label": "clodronic acid", "lsm": "LSM-5802", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25419", "FDA_Category_D_L1000_Similarity": 0.723827, "FDA_Category_D_Structural_Similarity": 0.05822, "FDA_Category_D_Weighted_Contribution": 0.353832, "FDA_Category_D_Top_Rank": -0.0788817, "FDA_Category_X_L1000_Similarity": 0.666757, "FDA_Category_X_Structural_Similarity": -0.363947, "FDA_Category_X_Weighted_Contribution": -0.150786, "FDA_Category_X_Top_Rank": -0.0798972, "FDA_Category_D_and_X_L1000_Similarity": 0.826436, "FDA_Category_D_and_X_Structural_Similarity": -0.150175, "FDA_Category_D_and_X_Weighted_Contribution": 0.157116, "FDA_Category_D_and_X_Top_Rank": -0.0767526, "Placenta_Crossing_L1000_Similarity": 0.287686, "Placenta_Crossing_Structural_Similarity": 0.0561185, "Placenta_Crossing_Weighted_Contribution": 0.0519373, "Placenta_Crossing_Top_Rank": -0.081054, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl", "InChI_key": "ACSIXWWBWUQEHA-UHFFFAOYSA-N" } }, "CID:2564": { "type": "Drug", "properties": { "id": "CID:2564", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2564", "label": "carbinoxamine", "FDA_Category_D_L1000_Similarity": 0.362981, "FDA_Category_D_Structural_Similarity": 1.35367, "FDA_Category_D_Weighted_Contribution": 1.519, "FDA_Category_D_Top_Rank": -0.0308096, "FDA_Category_X_L1000_Similarity": 0.946066, "FDA_Category_X_Structural_Similarity": -0.744079, "FDA_Category_X_Weighted_Contribution": -0.369031, "FDA_Category_X_Top_Rank": -0.0731139, "FDA_Category_D_and_X_L1000_Similarity": 0.600194, "FDA_Category_D_and_X_Structural_Similarity": 0.672921, "FDA_Category_D_and_X_Weighted_Contribution": 0.866636, "FDA_Category_D_and_X_Top_Rank": -0.068223, "Placenta_Crossing_L1000_Similarity": 0.50902, "Placenta_Crossing_Structural_Similarity": -1.08479, "Placenta_Crossing_Weighted_Contribution": -0.787399, "Placenta_Crossing_Top_Rank": -0.0828065, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2", "InChI_key": "OJFSXZCBGQGRNV-UHFFFAOYSA-N" } }, "CID:2768": { "type": "Drug", "properties": { "id": "CID:2768", "label": "dichlorodiamine-platinum", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2768", "FDA_Category_D_L1000_Similarity": 0.196334, "FDA_Category_D_Structural_Similarity": -0.564778, "FDA_Category_D_Weighted_Contribution": -0.498514, "FDA_Category_D_Top_Rank": -0.090265, "FDA_Category_X_L1000_Similarity": 0.0572002, "FDA_Category_X_Structural_Similarity": -0.0391007, "FDA_Category_X_Weighted_Contribution": -0.132096, "FDA_Category_X_Top_Rank": -0.0807081, "FDA_Category_D_and_X_L1000_Similarity": 0.186618, "FDA_Category_D_and_X_Structural_Similarity": -0.46937, "FDA_Category_D_and_X_Weighted_Contribution": -0.44157, "FDA_Category_D_and_X_Top_Rank": -0.0903749, "Placenta_Crossing_L1000_Similarity": 0.56601, "Placenta_Crossing_Structural_Similarity": -0.562844, "Placenta_Crossing_Weighted_Contribution": -0.372689, "Placenta_Crossing_Top_Rank": -0.0817873, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2797577": { "type": "Drug", "properties": { "id": "CID:2797577", "label": "SRPIN-340", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2797577", "FDA_Category_D_L1000_Similarity": 0.651427, "FDA_Category_X_L1000_Similarity": -1.24828, "FDA_Category_D_and_X_L1000_Similarity": 0.182454, "Placenta_Crossing_L1000_Similarity": -0.339878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2818982": { "type": "Drug", "properties": { "id": "CID:2818982", "label": "km-00519sc", "lsm": "LSM-4905", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2818982", "FDA_Category_D_L1000_Similarity": 0.645518, "FDA_Category_D_Structural_Similarity": -0.392187, "FDA_Category_D_Weighted_Contribution": -0.126353, "FDA_Category_D_Top_Rank": -0.0812809, "FDA_Category_X_L1000_Similarity": -1.66475, "FDA_Category_X_Structural_Similarity": -0.639726, "FDA_Category_X_Weighted_Contribution": -1.21335, "FDA_Category_X_Top_Rank": -0.0914665, "FDA_Category_D_and_X_L1000_Similarity": 0.050893, "FDA_Category_D_and_X_Structural_Similarity": -0.656478, "FDA_Category_D_and_X_Weighted_Contribution": -0.642097, "FDA_Category_D_and_X_Top_Rank": -0.0917402, "Placenta_Crossing_L1000_Similarity": 0.947771, "Placenta_Crossing_Structural_Similarity": -0.0160725, "Placenta_Crossing_Weighted_Contribution": 0.307704, "Placenta_Crossing_Top_Rank": -0.0722433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NN2)NS(=O)(=O)C3=CC=CC=C3)Br", "InChI_key": "RCLIFWCYMQCFAV-UHFFFAOYSA-N" } }, "CID:2820633": { "type": "Drug", "properties": { "id": "CID:2820633", "label": "km-04501", "lsm": "LSM-4464", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2820633", "FDA_Category_D_L1000_Similarity": 1.33791, "FDA_Category_D_Structural_Similarity": -0.396514, "FDA_Category_D_Weighted_Contribution": 0.257768, "FDA_Category_D_Top_Rank": -0.0332731, "FDA_Category_X_L1000_Similarity": 1.94951, "FDA_Category_X_Structural_Similarity": -0.540366, "FDA_Category_X_Weighted_Contribution": 0.31336, "FDA_Category_X_Top_Rank": 0.00371208, "FDA_Category_D_and_X_L1000_Similarity": 1.74533, "FDA_Category_D_and_X_Structural_Similarity": -0.606298, "FDA_Category_D_and_X_Weighted_Contribution": 0.214187, "FDA_Category_D_and_X_Top_Rank": 0.0220513, "Placenta_Crossing_L1000_Similarity": 0.994044, "Placenta_Crossing_Structural_Similarity": -0.292271, "Placenta_Crossing_Weighted_Contribution": 0.0613631, "Placenta_Crossing_Top_Rank": -0.0706714, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)NC(=S)N=S(=O)(C)C2=CC=CC=C2", "InChI_key": "PPAVPESGPMLZGM-UHFFFAOYSA-N" } }, "CID:2878746": { "type": "Drug", "properties": { "id": "CID:2878746", "label": "stk-064652", "lsm": "LSM-6186", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2878746", "FDA_Category_D_L1000_Similarity": 1.20273, "FDA_Category_D_Structural_Similarity": 0.42697, "FDA_Category_D_Weighted_Contribution": 1.0437, "FDA_Category_D_Top_Rank": -0.048338, "FDA_Category_X_L1000_Similarity": 3.25365, "FDA_Category_X_Structural_Similarity": -0.504055, "FDA_Category_X_Weighted_Contribution": 1.07225, "FDA_Category_X_Top_Rank": 1.008, "FDA_Category_D_and_X_L1000_Similarity": 2.02486, "FDA_Category_D_and_X_Structural_Similarity": 0.0669061, "FDA_Category_D_and_X_Weighted_Contribution": 1.07196, "FDA_Category_D_and_X_Top_Rank": 0.104994, "Placenta_Crossing_L1000_Similarity": 2.45251, "Placenta_Crossing_Structural_Similarity": 0.742601, "Placenta_Crossing_Weighted_Contribution": 1.91813, "Placenta_Crossing_Top_Rank": 0.248775, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2", "InChI_key": "AGQNVTZMIXEHKC-UHFFFAOYSA-N" } }, "CID:3000022": { "type": "Drug", "properties": { "id": "CID:3000022", "label": "mw-stk33-23", "lsm": "LSM-4797", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3000022", "FDA_Category_D_L1000_Similarity": -0.915169, "FDA_Category_D_Structural_Similarity": 0.0462137, "FDA_Category_D_Weighted_Contribution": -0.530029, "FDA_Category_D_Top_Rank": -0.0840031, "FDA_Category_X_L1000_Similarity": -3.4198, "FDA_Category_X_Structural_Similarity": -0.604613, "FDA_Category_X_Weighted_Contribution": -1.5799, "FDA_Category_X_Top_Rank": -0.0911179, "FDA_Category_D_and_X_L1000_Similarity": -1.82742, "FDA_Category_D_and_X_Structural_Similarity": -0.289566, "FDA_Category_D_and_X_Weighted_Contribution": -1.07646, "FDA_Category_D_and_X_Top_Rank": -0.0915754, "Placenta_Crossing_L1000_Similarity": -2.1308, "Placenta_Crossing_Structural_Similarity": -0.846592, "Placenta_Crossing_Weighted_Contribution": -1.37528, "Placenta_Crossing_Top_Rank": -0.0919437, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4", "InChI_key": "URSKZILGGPFGHW-UHFFFAOYSA-N" } }, "CID:3001055": { "type": "Drug", "properties": { "id": "CID:3001055", "label": "ranitidine", "lsm": "LSM-2298", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3001055", "IDG_ID": "2358", "FDA_Category_D_L1000_Similarity": 1.20695, "FDA_Category_D_Structural_Similarity": -0.640311, "FDA_Category_D_Weighted_Contribution": -0.0520927, "FDA_Category_D_Top_Rank": -0.0481281, "FDA_Category_X_L1000_Similarity": 1.55596, "FDA_Category_X_Structural_Similarity": 2.7771, "FDA_Category_X_Weighted_Contribution": 3.46155, "FDA_Category_X_Top_Rank": 0.160711, "FDA_Category_D_and_X_L1000_Similarity": 1.51293, "FDA_Category_D_and_X_Structural_Similarity": 0.990288, "FDA_Category_D_and_X_Weighted_Contribution": 1.74807, "FDA_Category_D_and_X_Top_Rank": -0.0213669, "Placenta_Crossing_L1000_Similarity": 1.32676, "Placenta_Crossing_Structural_Similarity": -0.820648, "Placenta_Crossing_Weighted_Contribution": -0.264442, "Placenta_Crossing_Top_Rank": -0.0539426, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C", "InChI_key": "VMXUWOKSQNHOCA-UKTHLTGXSA-N" } }, "CID:3002120": { "type": "Drug", "properties": { "id": "CID:3002120", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3002120", "label": "Sulbutiamine", "FDA_Category_D_L1000_Similarity": 0.370245, "FDA_Category_D_Structural_Similarity": 0.0554293, "FDA_Category_D_Weighted_Contribution": 0.144304, "FDA_Category_D_Top_Rank": -0.08381, "FDA_Category_X_L1000_Similarity": 1.30364, "FDA_Category_X_Structural_Similarity": 1.14371, "FDA_Category_X_Weighted_Contribution": 1.83443, "FDA_Category_X_Top_Rank": -0.0332159, "FDA_Category_D_and_X_L1000_Similarity": 0.715042, "FDA_Category_D_and_X_Structural_Similarity": 0.661134, "FDA_Category_D_and_X_Weighted_Contribution": 0.922514, "FDA_Category_D_and_X_Top_Rank": -0.0686814, "Placenta_Crossing_L1000_Similarity": 1.12728, "Placenta_Crossing_Structural_Similarity": 1.78502, "Placenta_Crossing_Weighted_Contribution": 2.28726, "Placenta_Crossing_Top_Rank": 0.0088972, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3033637": { "type": "Drug", "properties": { "id": "CID:3033637", "label": "nizatidine", "lsm": "LSM-3031", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3033637", "IDG_ID": "1955", "FDA_Category_D_L1000_Similarity": 0.484679, "FDA_Category_D_Structural_Similarity": -0.640311, "FDA_Category_D_Weighted_Contribution": -0.423069, "FDA_Category_D_Top_Rank": -0.0855601, "FDA_Category_X_L1000_Similarity": 1.49314, "FDA_Category_X_Structural_Similarity": 2.7771, "FDA_Category_X_Weighted_Contribution": 3.43983, "FDA_Category_X_Top_Rank": 0.160711, "FDA_Category_D_and_X_L1000_Similarity": 0.871241, "FDA_Category_D_and_X_Structural_Similarity": 0.990288, "FDA_Category_D_and_X_Weighted_Contribution": 1.36819, "FDA_Category_D_and_X_Top_Rank": -0.0536509, "Placenta_Crossing_L1000_Similarity": 1.3013, "Placenta_Crossing_Structural_Similarity": -0.820648, "Placenta_Crossing_Weighted_Contribution": -0.275548, "Placenta_Crossing_Top_Rank": -0.0554197, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C", "InChI_key": "SGXXNSQHWDMGGP-IZZDOVSWSA-N" } }, "CID:3033825": { "type": "Drug", "properties": { "id": "CID:3033825", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3033825", "label": "levosimendan", "FDA_Category_D_L1000_Similarity": -0.246427, "FDA_Category_D_Structural_Similarity": 0.882576, "FDA_Category_D_Weighted_Contribution": 0.62011, "FDA_Category_D_Top_Rank": -0.0567474, "FDA_Category_X_L1000_Similarity": 0.272697, "FDA_Category_X_Structural_Similarity": 1.1822, "FDA_Category_X_Weighted_Contribution": 1.29406, "FDA_Category_X_Top_Rank": -0.0297953, "FDA_Category_D_and_X_L1000_Similarity": -0.129621, "FDA_Category_D_and_X_Structural_Similarity": 1.33842, "FDA_Category_D_and_X_Weighted_Contribution": 1.14026, "FDA_Category_D_and_X_Top_Rank": -0.0275919, "Placenta_Crossing_L1000_Similarity": 0.343816, "Placenta_Crossing_Structural_Similarity": -0.566225, "Placenta_Crossing_Weighted_Contribution": -0.467006, "Placenta_Crossing_Top_Rank": -0.0851482, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N", "InChI_key": "WHXMKTBCFHIYNQ-SECBINFHSA-N" } }, "CID:3034756": { "type": "Drug", "properties": { "id": "CID:3034756", "label": "formoterol", "lsm": "LSM-4251", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3034756", "IDG_ID": "1239", "FDA_Category_D_L1000_Similarity": 0.710247, "FDA_Category_D_Structural_Similarity": 1.35142, "FDA_Category_D_Weighted_Contribution": 1.73585, "FDA_Category_D_Top_Rank": -0.0310819, "FDA_Category_X_L1000_Similarity": 2.50058, "FDA_Category_X_Structural_Similarity": 2.78178, "FDA_Category_X_Weighted_Contribution": 3.75713, "FDA_Category_X_Top_Rank": 0.162577, "FDA_Category_D_and_X_L1000_Similarity": 1.37163, "FDA_Category_D_and_X_Structural_Similarity": 2.57368, "FDA_Category_D_and_X_Weighted_Contribution": 3.08587, "FDA_Category_D_and_X_Top_Rank": 0.11363, "Placenta_Crossing_L1000_Similarity": 0.0991355, "Placenta_Crossing_Structural_Similarity": 2.31051, "Placenta_Crossing_Weighted_Contribution": 2.29101, "Placenta_Crossing_Top_Rank": 0.0642798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O", "InChI_key": "BPZSYCZIITTYBL-ORAYPTAESA-N" } }, "CID:3085416": { "type": "Drug", "properties": { "id": "CID:3085416", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3085416", "label": "Ivermectin", "FDA_Category_D_L1000_Similarity": -0.279675, "FDA_Category_D_Structural_Similarity": -0.24859, "FDA_Category_D_Weighted_Contribution": -0.468529, "FDA_Category_D_Top_Rank": -0.0904441, "FDA_Category_X_L1000_Similarity": -1.11616, "FDA_Category_X_Structural_Similarity": -0.343694, "FDA_Category_X_Weighted_Contribution": -0.864121, "FDA_Category_X_Top_Rank": -0.0872535, "FDA_Category_D_and_X_L1000_Similarity": -0.580039, "FDA_Category_D_and_X_Structural_Similarity": -0.382765, "FDA_Category_D_and_X_Weighted_Contribution": -0.69928, "FDA_Category_D_and_X_Top_Rank": -0.0927806, "Placenta_Crossing_L1000_Similarity": -1.4595, "Placenta_Crossing_Structural_Similarity": 0.0327496, "Placenta_Crossing_Weighted_Contribution": -0.704963, "Placenta_Crossing_Top_Rank": -0.0816086, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:31307": { "type": "Drug", "properties": { "id": "CID:31307", "label": "triamcinolone", "lsm": "LSM-1503", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31307", "IDG_ID": "2725", "FDA_Category_D_L1000_Similarity": 0.991705, "FDA_Category_D_Structural_Similarity": 0.560303, "FDA_Category_D_Weighted_Contribution": 1.05435, "FDA_Category_D_Top_Rank": -0.0656732, "FDA_Category_X_L1000_Similarity": 1.25538, "FDA_Category_X_Structural_Similarity": 1.21258, "FDA_Category_X_Weighted_Contribution": 1.88409, "FDA_Category_X_Top_Rank": -0.0273069, "FDA_Category_D_and_X_L1000_Similarity": 1.2361, "FDA_Category_D_and_X_Structural_Similarity": 1.09902, "FDA_Category_D_and_X_Weighted_Contribution": 1.69968, "FDA_Category_D_and_X_Top_Rank": -0.0463616, "Placenta_Crossing_L1000_Similarity": 2.19017, "Placenta_Crossing_Structural_Similarity": 0.920084, "Placenta_Crossing_Weighted_Contribution": 1.96367, "Placenta_Crossing_Top_Rank": 0.102967, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O", "InChI_key": "GFNANZIMVAIWHM-OBYCQNJPSA-N" } }, "CID:328236": { "type": "Drug", "properties": { "id": "CID:328236", "label": "heraclenol", "lsm": "LSM-4476", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/328236", "FDA_Category_D_L1000_Similarity": 0.228758, "FDA_Category_D_Structural_Similarity": 2.59128, "FDA_Category_D_Weighted_Contribution": 2.68123, "FDA_Category_D_Top_Rank": 0.146536, "FDA_Category_X_L1000_Similarity": 1.30893, "FDA_Category_X_Structural_Similarity": 2.65703, "FDA_Category_X_Weighted_Contribution": 3.28569, "FDA_Category_X_Top_Rank": 0.135624, "FDA_Category_D_and_X_L1000_Similarity": 0.594678, "FDA_Category_D_and_X_Structural_Similarity": 3.49046, "FDA_Category_D_and_X_Weighted_Contribution": 3.39178, "FDA_Category_D_and_X_Top_Rank": 0.375443, "Placenta_Crossing_L1000_Similarity": 1.6251, "Placenta_Crossing_Structural_Similarity": -0.381596, "Placenta_Crossing_Weighted_Contribution": 0.285849, "Placenta_Crossing_Top_Rank": -0.0258391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O", "InChI_key": "FOINLJRVEBYARJ-UHFFFAOYSA-N" } }, "CID:3331": { "type": "Drug", "properties": { "id": "CID:3331", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3331", "label": "felbamate", "ref": "LSM-4232", "FDA_Category_D_L1000_Similarity": 1.50536, "FDA_Category_D_Structural_Similarity": -0.166257, "FDA_Category_D_Weighted_Contribution": 0.595792, "FDA_Category_D_Top_Rank": -0.00742552, "FDA_Category_X_L1000_Similarity": 0.331861, "FDA_Category_X_Structural_Similarity": 0.141447, "FDA_Category_X_Weighted_Contribution": 0.181116, "FDA_Category_X_Top_Rank": -0.07566, "FDA_Category_D_and_X_L1000_Similarity": 1.39842, "FDA_Category_D_and_X_Structural_Similarity": -0.0556358, "FDA_Category_D_and_X_Weighted_Contribution": 0.572083, "FDA_Category_D_and_X_Top_Rank": -0.0371207, "Placenta_Crossing_L1000_Similarity": 2.05776, "Placenta_Crossing_Structural_Similarity": -0.0748511, "Placenta_Crossing_Weighted_Contribution": 0.831037, "Placenta_Crossing_Top_Rank": 0.060465, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N", "InChI_key": "WKGXYQFOCVYPAC-UHFFFAOYSA-N" } }, "CID:3341": { "type": "Drug", "properties": { "id": "CID:3341", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3341", "label": "fenoldopam", "FDA_Category_D_L1000_Similarity": 1.77748, "FDA_Category_D_Structural_Similarity": -0.708405, "FDA_Category_D_Weighted_Contribution": 0.203537, "FDA_Category_D_Top_Rank": 0.0652662, "FDA_Category_X_L1000_Similarity": 2.16721, "FDA_Category_X_Structural_Similarity": -0.423402, "FDA_Category_X_Weighted_Contribution": 0.555037, "FDA_Category_X_Top_Rank": 0.0442746, "FDA_Category_D_and_X_L1000_Similarity": 2.19036, "FDA_Category_D_and_X_Structural_Similarity": -0.790737, "FDA_Category_D_and_X_Weighted_Contribution": 0.277903, "FDA_Category_D_and_X_Top_Rank": 0.209013, "Placenta_Crossing_L1000_Similarity": 2.08014, "Placenta_Crossing_Structural_Similarity": -0.669864, "Placenta_Crossing_Weighted_Contribution": 0.228998, "Placenta_Crossing_Top_Rank": 0.0677713, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O", "InChI_key": "TVURRHSHRRELCG-UHFFFAOYSA-N" } }, "CID:3342298": { "type": "Drug", "properties": { "id": "CID:3342298", "label": "cts-1027", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3342298", "FDA_Category_D_L1000_Similarity": -0.495651, "FDA_Category_D_Structural_Similarity": 0.767506, "FDA_Category_D_Weighted_Contribution": 0.348922, "FDA_Category_D_Top_Rank": -0.0616105, "FDA_Category_X_L1000_Similarity": -0.897987, "FDA_Category_X_Structural_Similarity": 0.044591, "FDA_Category_X_Weighted_Contribution": -0.483808, "FDA_Category_X_Top_Rank": -0.0786964, "FDA_Category_D_and_X_L1000_Similarity": -0.69996, "FDA_Category_D_and_X_Structural_Similarity": 0.633241, "FDA_Category_D_and_X_Weighted_Contribution": 0.0881912, "FDA_Category_D_and_X_Top_Rank": -0.069602, "Placenta_Crossing_L1000_Similarity": 0.769469, "Placenta_Crossing_Structural_Similarity": -0.58117, "Placenta_Crossing_Weighted_Contribution": -0.301452, "Placenta_Crossing_Top_Rank": -0.0771993, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)NO", "InChI_key": "ROSNVSQTEGHUKU-UHFFFAOYSA-N" } }, "CID:33630": { "type": "Drug", "properties": { "id": "CID:33630", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID33630", "label": "penfluridol", "FDA_Category_D_L1000_Similarity": -1.15353, "FDA_Category_D_Structural_Similarity": -0.136681, "FDA_Category_D_Weighted_Contribution": -0.768519, "FDA_Category_D_Top_Rank": -0.0882896, "FDA_Category_X_L1000_Similarity": -0.049155, "FDA_Category_X_Structural_Similarity": 0.0167524, "FDA_Category_X_Weighted_Contribution": -0.129606, "FDA_Category_X_Top_Rank": -0.0793833, "FDA_Category_D_and_X_L1000_Similarity": -1.00928, "FDA_Category_D_and_X_Structural_Similarity": -0.0994457, "FDA_Category_D_and_X_Weighted_Contribution": -0.668963, "FDA_Category_D_and_X_Top_Rank": -0.0882788, "Placenta_Crossing_L1000_Similarity": -0.892945, "Placenta_Crossing_Structural_Similarity": 0.0163478, "Placenta_Crossing_Weighted_Contribution": -0.50246, "Placenta_Crossing_Top_Rank": -0.0819968, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F", "InChI_key": "MDLAAYDRRZXJIF-UHFFFAOYSA-N" } }, "CID:3386": { "type": "Drug", "properties": { "id": "CID:3386", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3386", "label": "fluoxetine", "FDA_Category_D_L1000_Similarity": -1.6098, "FDA_Category_D_Structural_Similarity": -0.854118, "FDA_Category_D_Weighted_Contribution": -1.323, "FDA_Category_D_Top_Rank": -0.0967703, "FDA_Category_X_L1000_Similarity": 2.30029, "FDA_Category_X_Structural_Similarity": -0.674446, "FDA_Category_X_Weighted_Contribution": 0.357011, "FDA_Category_X_Top_Rank": 0.0768512, "FDA_Category_D_and_X_L1000_Similarity": -0.689119, "FDA_Category_D_and_X_Structural_Similarity": -1.04185, "FDA_Category_D_and_X_Weighted_Contribution": -1.1368, "FDA_Category_D_and_X_Top_Rank": -0.0956447, "Placenta_Crossing_L1000_Similarity": -0.565835, "Placenta_Crossing_Structural_Similarity": -0.978422, "Placenta_Crossing_Weighted_Contribution": -1.05845, "Placenta_Crossing_Top_Rank": -0.090977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F", "InChI_key": "RTHCYVBBDHJXIQ-UHFFFAOYSA-N" } }, "CID:3387354": { "type": "Drug", "properties": { "id": "CID:3387354", "label": "sb-218078", "lsm": "LSM-1274", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3387354", "FDA_Category_D_L1000_Similarity": 0.000241562, "FDA_Category_D_Structural_Similarity": -0.364333, "FDA_Category_D_Weighted_Contribution": -0.429386, "FDA_Category_D_Top_Rank": -0.0921603, "FDA_Category_X_L1000_Similarity": -2.94736, "FDA_Category_X_Structural_Similarity": -0.689371, "FDA_Category_X_Weighted_Contribution": -1.52544, "FDA_Category_X_Top_Rank": -0.0918729, "FDA_Category_D_and_X_L1000_Similarity": -0.894844, "FDA_Category_D_and_X_Structural_Similarity": -0.661158, "FDA_Category_D_and_X_Weighted_Contribution": -0.991484, "FDA_Category_D_and_X_Top_Rank": -0.0952204, "Placenta_Crossing_L1000_Similarity": -1.02528, "Placenta_Crossing_Structural_Similarity": 1.57624, "Placenta_Crossing_Weighted_Contribution": 0.924215, "Placenta_Crossing_Top_Rank": -0.0147647, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C1O2)C7=C53)C(=O)NC6=O", "InChI_key": "OTPNDVKVEAIXTI-UHFFFAOYSA-N" } }, "CID:3476986": { "type": "Drug", "properties": { "id": "CID:3476986", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3476986", "label": "blebbistatin", "FDA_Category_D_L1000_Similarity": -0.715199, "FDA_Category_D_Structural_Similarity": 0.566882, "FDA_Category_D_Weighted_Contribution": 0.0246435, "FDA_Category_D_Top_Rank": -0.0687256, "FDA_Category_X_L1000_Similarity": 1.30976, "FDA_Category_X_Structural_Similarity": -0.458715, "FDA_Category_X_Weighted_Contribution": 0.0692165, "FDA_Category_X_Top_Rank": -0.0584051, "FDA_Category_D_and_X_L1000_Similarity": -0.218755, "FDA_Category_D_and_X_Structural_Similarity": 0.202422, "FDA_Category_D_and_X_Weighted_Contribution": -0.0614004, "FDA_Category_D_and_X_Top_Rank": -0.0816343, "Placenta_Crossing_L1000_Similarity": 0.220382, "Placenta_Crossing_Structural_Similarity": -0.0310185, "Placenta_Crossing_Weighted_Contribution": -0.0611359, "Placenta_Crossing_Top_Rank": -0.0829081, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O", "InChI_key": "LZAXPYOBKSJSEX-UHFFFAOYSA-N" } }, "CID:3478": { "type": "Drug", "properties": { "id": "CID:3478", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3478", "label": "glipizide", "FDA_Category_D_L1000_Similarity": 1.98603, "FDA_Category_D_Structural_Similarity": -0.0450687, "FDA_Category_D_Weighted_Contribution": 1.02913, "FDA_Category_D_Top_Rank": 0.186887, "FDA_Category_X_L1000_Similarity": -0.379181, "FDA_Category_X_Structural_Similarity": -0.37897, "FDA_Category_X_Weighted_Contribution": -0.617107, "FDA_Category_X_Top_Rank": -0.087864, "FDA_Category_D_and_X_L1000_Similarity": 1.59684, "FDA_Category_D_and_X_Structural_Similarity": -0.240262, "FDA_Category_D_and_X_Weighted_Contribution": 0.496688, "FDA_Category_D_and_X_Top_Rank": -0.00702578, "Placenta_Crossing_L1000_Similarity": 2.23272, "Placenta_Crossing_Structural_Similarity": 0.110587, "Placenta_Crossing_Weighted_Contribution": 1.12593, "Placenta_Crossing_Top_Rank": 0.125425, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3", "InChI_key": "ZJJXGWJIGJFDTL-UHFFFAOYSA-N" } }, "CID:3488": { "type": "Drug", "properties": { "id": "CID:3488", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3488", "label": "glyburide", "FDA_Category_D_L1000_Similarity": 1.4724, "FDA_Category_D_Structural_Similarity": -0.367971, "FDA_Category_D_Weighted_Contribution": 0.366232, "FDA_Category_D_Top_Rank": -0.0151934, "FDA_Category_X_L1000_Similarity": 1.02899, "FDA_Category_X_Structural_Similarity": -0.492218, "FDA_Category_X_Weighted_Contribution": -0.100587, "FDA_Category_X_Top_Rank": -0.0706054, "FDA_Category_D_and_X_L1000_Similarity": 1.58172, "FDA_Category_D_and_X_Structural_Similarity": -0.557662, "FDA_Category_D_and_X_Weighted_Contribution": 0.172432, "FDA_Category_D_and_X_Top_Rank": -0.0102832, "Placenta_Crossing_L1000_Similarity": 2.36181, "Placenta_Crossing_Structural_Similarity": 1.02229, "Placenta_Crossing_Weighted_Contribution": 2.15415, "Placenta_Crossing_Top_Rank": 0.182232, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3", "InChI_key": "ZNNLBTZKUZBEKO-UHFFFAOYSA-N" } }, "CID:3489614": { "type": "Drug", "properties": { "id": "CID:3489614", "label": "cgp-54626", "lsm": "LSM-1642", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3489614", "FDA_Category_D_L1000_Similarity": 0.604086, "FDA_Category_D_Structural_Similarity": -0.402166, "FDA_Category_D_Weighted_Contribution": -0.157399, "FDA_Category_D_Top_Rank": -0.0825275, "FDA_Category_X_L1000_Similarity": 0.0453457, "FDA_Category_X_Structural_Similarity": -0.378761, "FDA_Category_X_Weighted_Contribution": -0.442722, "FDA_Category_X_Top_Rank": -0.0872788, "FDA_Category_D_and_X_L1000_Similarity": 0.534496, "FDA_Category_D_and_X_Structural_Similarity": -0.523582, "FDA_Category_D_and_X_Weighted_Contribution": -0.326647, "FDA_Category_D_and_X_Top_Rank": -0.0850548, "Placenta_Crossing_L1000_Similarity": 0.807724, "Placenta_Crossing_Structural_Similarity": -0.633452, "Placenta_Crossing_Weighted_Contribution": -0.329265, "Placenta_Crossing_Top_Rank": -0.0761252, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O", "InChI_key": "JGGVBBYJRQOPPA-UHFFFAOYSA-N" } }, "CID:3519541": { "type": "Drug", "properties": { "id": "CID:3519541", "label": "cgp-13501", "lsm": "LSM-4158", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3519541", "FDA_Category_D_L1000_Similarity": 0.737825, "FDA_Category_D_Structural_Similarity": 0.0290632, "FDA_Category_D_Weighted_Contribution": 0.332523, "FDA_Category_D_Top_Rank": -0.0783373, "FDA_Category_X_L1000_Similarity": 1.74895, "FDA_Category_X_Structural_Similarity": -0.356, "FDA_Category_X_Weighted_Contribution": 0.402163, "FDA_Category_X_Top_Rank": -0.0256089, "FDA_Category_D_and_X_L1000_Similarity": 1.16714, "FDA_Category_D_and_X_Structural_Similarity": -0.169028, "FDA_Category_D_and_X_Weighted_Contribution": 0.325558, "FDA_Category_D_and_X_Top_Rank": -0.0576531, "Placenta_Crossing_L1000_Similarity": 1.04827, "Placenta_Crossing_Structural_Similarity": 0.399494, "Placenta_Crossing_Weighted_Contribution": 0.790781, "Placenta_Crossing_Top_Rank": -0.068656, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)C=O", "InChI_key": "XGWATTXMMMANFJ-UHFFFAOYSA-N" } }, "CID:3672": { "type": "Drug", "properties": { "id": "CID:3672", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3672", "label": "ibuprofen", "FDA_Category_D_L1000_Similarity": 0.658614, "FDA_Category_D_Structural_Similarity": -0.805092, "FDA_Category_D_Weighted_Contribution": -0.474207, "FDA_Category_D_Top_Rank": -0.0809432, "FDA_Category_X_L1000_Similarity": 1.45923, "FDA_Category_X_Structural_Similarity": 0.481075, "FDA_Category_X_Weighted_Contribution": 1.17154, "FDA_Category_X_Top_Rank": -0.0495756, "FDA_Category_D_and_X_L1000_Similarity": 1.01088, "FDA_Category_D_and_X_Structural_Similarity": -0.379427, "FDA_Category_D_and_X_Weighted_Contribution": 0.03774, "FDA_Category_D_and_X_Top_Rank": -0.0685161, "Placenta_Crossing_L1000_Similarity": 0.429302, "Placenta_Crossing_Structural_Similarity": -0.895409, "Placenta_Crossing_Weighted_Contribution": -0.683513, "Placenta_Crossing_Top_Rank": -0.0840616, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", "InChI_key": "HEFNNWSXXWATRW-UHFFFAOYSA-N" } }, "CID:3677": { "type": "Drug", "properties": { "id": "CID:3677", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3677", "label": "mephentermine", "FDA_Category_D_L1000_Similarity": -0.259458, "FDA_Category_D_Structural_Similarity": -0.593093, "FDA_Category_D_Weighted_Contribution": -0.721262, "FDA_Category_D_Top_Rank": -0.0940109, "FDA_Category_X_L1000_Similarity": -0.835605, "FDA_Category_X_Structural_Similarity": 2.7542, "FDA_Category_X_Weighted_Contribution": 2.4129, "FDA_Category_X_Top_Rank": 0.154094, "FDA_Category_D_and_X_L1000_Similarity": -0.477412, "FDA_Category_D_and_X_Structural_Similarity": 1.01541, "FDA_Category_D_and_X_Weighted_Contribution": 0.592247, "FDA_Category_D_and_X_Top_Rank": -0.0522304, "Placenta_Crossing_L1000_Similarity": 0.560206, "Placenta_Crossing_Structural_Similarity": -0.648938, "Placenta_Crossing_Weighted_Contribution": -0.445346, "Placenta_Crossing_Top_Rank": -0.0818927, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CC1=CC=CC=C1)NC", "InChI_key": "RXQCGGRTAILOIN-UHFFFAOYSA-N" } }, "CID:3741": { "type": "Drug", "properties": { "id": "CID:3741", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3741", "label": "ioversol", "FDA_Category_D_L1000_Similarity": 0.00500494, "FDA_Category_X_L1000_Similarity": 0.732466, "FDA_Category_D_and_X_L1000_Similarity": 0.22676, "Placenta_Crossing_L1000_Similarity": 0.278641, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO", "InChI_key": "AMDBBAQNWSUWGN-UHFFFAOYSA-N" } }, "CID:3767": { "type": "Drug", "properties": { "id": "CID:3767", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3767", "label": "isoniazid", "FDA_Category_D_L1000_Similarity": 0.925805, "FDA_Category_D_Structural_Similarity": -0.113689, "FDA_Category_D_Weighted_Contribution": 0.299467, "FDA_Category_D_Top_Rank": -0.0698811, "FDA_Category_X_L1000_Similarity": 2.34877, "FDA_Category_X_Structural_Similarity": -0.746833, "FDA_Category_X_Weighted_Contribution": 0.306363, "FDA_Category_X_Top_Rank": 0.0942085, "FDA_Category_D_and_X_L1000_Similarity": 1.51134, "FDA_Category_D_and_X_Structural_Similarity": -0.493224, "FDA_Category_D_and_X_Weighted_Contribution": 0.196602, "FDA_Category_D_and_X_Top_Rank": -0.021829, "Placenta_Crossing_L1000_Similarity": 1.66467, "Placenta_Crossing_Structural_Similarity": -1.08429, "Placenta_Crossing_Weighted_Contribution": -0.342786, "Placenta_Crossing_Top_Rank": -0.0197372, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1=CN=CC=C1C(=O)NN", "InChI_key": "QRXWMOHMRWLFEY-UHFFFAOYSA-N" } }, "CID:3854666": { "type": "Drug", "properties": { "id": "CID:3854666", "label": "sb-225002", "lsm": "LSM-3367", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3854666", "FDA_Category_D_L1000_Similarity": 0.308291, "FDA_Category_D_Structural_Similarity": 0.0796221, "FDA_Category_D_Weighted_Contribution": 0.132508, "FDA_Category_D_Top_Rank": -0.0831164, "FDA_Category_X_L1000_Similarity": -0.0755328, "FDA_Category_X_Structural_Similarity": 1.15443, "FDA_Category_X_Weighted_Contribution": 1.06378, "FDA_Category_X_Top_Rank": -0.0321944, "FDA_Category_D_and_X_L1000_Similarity": 0.242825, "FDA_Category_D_and_X_Structural_Similarity": 0.686121, "FDA_Category_D_and_X_Weighted_Contribution": 0.669627, "FDA_Category_D_and_X_Top_Rank": -0.0677521, "Placenta_Crossing_L1000_Similarity": -0.117921, "Placenta_Crossing_Structural_Similarity": 0.626057, "Placenta_Crossing_Weighted_Contribution": 0.410065, "Placenta_Crossing_Top_Rank": -0.0655886, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br", "InChI_key": "MQBZVUNNWUIPMK-UHFFFAOYSA-N" } }, "CID:387447": { "type": "Drug", "properties": { "id": "CID:387447", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID387447", "label": "bortezomib", "FDA_Category_D_L1000_Similarity": -3.10281, "FDA_Category_D_Structural_Similarity": -0.666926, "FDA_Category_D_Weighted_Contribution": -1.57665, "FDA_Category_D_Top_Rank": -0.0955996, "FDA_Category_X_L1000_Similarity": -2.7559, "FDA_Category_X_Structural_Similarity": -0.440461, "FDA_Category_X_Weighted_Contribution": -1.38374, "FDA_Category_X_Top_Rank": -0.0888869, "FDA_Category_D_and_X_L1000_Similarity": -3.51159, "FDA_Category_D_and_X_Structural_Similarity": -0.767019, "FDA_Category_D_and_X_Weighted_Contribution": -1.6256, "FDA_Category_D_and_X_Top_Rank": -0.0957859, "Placenta_Crossing_L1000_Similarity": -3.078, "Placenta_Crossing_Structural_Similarity": -0.460924, "Placenta_Crossing_Weighted_Contribution": -1.41256, "Placenta_Crossing_Top_Rank": -0.0893373, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O", "InChI_key": "GXJABQQUPOEUTA-RDJZCZTQSA-N" } }, "CID:3883": { "type": "Drug", "properties": { "id": "CID:3883", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3883", "label": "lansoprazole", "FDA_Category_D_L1000_Similarity": -1.07923, "FDA_Category_D_Structural_Similarity": 1.33954, "FDA_Category_D_Weighted_Contribution": 0.587678, "FDA_Category_D_Top_Rank": -0.031531, "FDA_Category_X_L1000_Similarity": -1.04632, "FDA_Category_X_Structural_Similarity": 0.445949, "FDA_Category_X_Weighted_Contribution": -0.195002, "FDA_Category_X_Top_Rank": -0.0642178, "FDA_Category_D_and_X_L1000_Similarity": -1.24807, "FDA_Category_D_and_X_Structural_Similarity": 1.30385, "FDA_Category_D_and_X_Weighted_Contribution": 0.445108, "FDA_Category_D_and_X_Top_Rank": -0.0310903, "Placenta_Crossing_L1000_Similarity": -0.791267, "Placenta_Crossing_Structural_Similarity": 2.08747, "Placenta_Crossing_Weighted_Contribution": 1.60274, "Placenta_Crossing_Top_Rank": 0.0391047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F", "InChI_key": "MJIHNNLFOKEZEW-UHFFFAOYSA-N" } }, "CID:393595": { "type": "Drug", "properties": { "id": "CID:393595", "label": "mrs-1220", "lsm": "LSM-2834", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/393595", "FDA_Category_D_L1000_Similarity": -1.12956, "FDA_Category_D_Structural_Similarity": -0.73099, "FDA_Category_D_Weighted_Contribution": -1.12548, "FDA_Category_D_Top_Rank": -0.096078, "FDA_Category_X_L1000_Similarity": -0.570833, "FDA_Category_X_Structural_Similarity": 1.71256, "FDA_Category_X_Weighted_Contribution": 1.41757, "FDA_Category_X_Top_Rank": 0.00665628, "FDA_Category_D_and_X_L1000_Similarity": -1.14705, "FDA_Category_D_and_X_Structural_Similarity": 0.343893, "FDA_Category_D_and_X_Weighted_Contribution": -0.388634, "FDA_Category_D_and_X_Top_Rank": -0.0784843, "Placenta_Crossing_L1000_Similarity": -0.937822, "Placenta_Crossing_Structural_Similarity": -0.453701, "Placenta_Crossing_Weighted_Contribution": -0.855613, "Placenta_Crossing_Top_Rank": -0.0892682, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3)Cl)C4=NC(=NN42)C5=CC=CO5", "InChI_key": "TWWFAXQOKNBUCR-UHFFFAOYSA-N" } }, "CID:3938007": { "type": "Drug", "properties": { "id": "CID:3938007", "label": "zd-7288", "lsm": "LSM-2406", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3938007", "FDA_Category_D_L1000_Similarity": 0.545774, "FDA_Category_D_Structural_Similarity": 0.792557, "FDA_Category_D_Weighted_Contribution": 1.02283, "FDA_Category_D_Top_Rank": -0.060815, "FDA_Category_X_L1000_Similarity": 2.21003, "FDA_Category_X_Structural_Similarity": 0.443807, "FDA_Category_X_Weighted_Contribution": 1.55729, "FDA_Category_X_Top_Rank": 0.0534127, "FDA_Category_D_and_X_L1000_Similarity": 1.14161, "FDA_Category_D_and_X_Structural_Similarity": 0.868539, "FDA_Category_D_and_X_Weighted_Contribution": 1.40001, "FDA_Category_D_and_X_Top_Rank": -0.0598714, "Placenta_Crossing_L1000_Similarity": 1.37972, "Placenta_Crossing_Structural_Similarity": 0.221781, "Placenta_Crossing_Weighted_Contribution": 0.780607, "Placenta_Crossing_Top_Rank": -0.0501519, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(C1=CC=CC=C1)C2=CC(=[N+](C(=N2)C)C)NC", "InChI_key": "JABSKGQQWUDVRU-UHFFFAOYSA-O" } }, "CID:4020": { "type": "Drug", "properties": { "id": "CID:4020", "label": "mazindol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4020", "IDG_ID": "1640", "FDA_Category_D_L1000_Similarity": -0.540426, "FDA_Category_D_Structural_Similarity": 0.342739, "FDA_Category_D_Weighted_Contribution": -0.0892975, "FDA_Category_D_Top_Rank": -0.0759809, "FDA_Category_X_L1000_Similarity": -0.598718, "FDA_Category_X_Structural_Similarity": 0.410652, "FDA_Category_X_Weighted_Contribution": -0.0152976, "FDA_Category_X_Top_Rank": -0.065394, "FDA_Category_D_and_X_L1000_Similarity": -0.647673, "FDA_Category_D_and_X_Structural_Similarity": 0.493623, "FDA_Category_D_and_X_Weighted_Contribution": -0.0148874, "FDA_Category_D_and_X_Top_Rank": -0.0740732, "Placenta_Crossing_L1000_Similarity": -0.112299, "Placenta_Crossing_Structural_Similarity": -0.849691, "Placenta_Crossing_Weighted_Contribution": -0.840748, "Placenta_Crossing_Top_Rank": -0.0890668, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O", "InChI_key": "ZPXSCAKFGYXMGA-UHFFFAOYSA-N" } }, "CID:40469854": { "type": "Drug", "properties": { "id": "CID:40469854", "label": "flumethasone", "lsm": "LSM-5872", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/40469854", "FDA_Category_D_L1000_Similarity": -0.885994, "FDA_Category_X_L1000_Similarity": -0.192726, "FDA_Category_D_and_X_L1000_Similarity": -0.822272, "Placenta_Crossing_L1000_Similarity": 0.0958356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4065": { "type": "Drug", "properties": { "id": "CID:4065", "label": "meprylcaine", "lsm": "LSM-3460", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4065", "FDA_Category_D_L1000_Similarity": 1.84068, "FDA_Category_D_Structural_Similarity": -0.194006, "FDA_Category_D_Weighted_Contribution": 0.775428, "FDA_Category_D_Top_Rank": 0.0908672, "FDA_Category_X_L1000_Similarity": 1.00398, "FDA_Category_X_Structural_Similarity": -0.156832, "FDA_Category_X_Weighted_Contribution": 0.220173, "FDA_Category_X_Top_Rank": -0.0712788, "FDA_Category_D_and_X_L1000_Similarity": 1.8916, "FDA_Category_D_and_X_Structural_Similarity": -0.238611, "FDA_Category_D_and_X_Weighted_Contribution": 0.669119, "FDA_Category_D_and_X_Top_Rank": 0.0564523, "Placenta_Crossing_L1000_Similarity": 1.52662, "Placenta_Crossing_Structural_Similarity": 0.90272, "Placenta_Crossing_Weighted_Contribution": 1.59329, "Placenta_Crossing_Top_Rank": -0.0372112, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNC(C)(C)COC(=O)C1=CC=CC=C1", "InChI_key": "VXJABHHJLXLNMP-UHFFFAOYSA-N" } }, "CID:4158": { "type": "Drug", "properties": { "id": "CID:4158", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4158", "label": "methylphenidate", "FDA_Category_D_L1000_Similarity": 0.918612, "FDA_Category_D_Structural_Similarity": 1.88075, "FDA_Category_D_Weighted_Contribution": 2.39936, "FDA_Category_D_Top_Rank": 0.0301019, "FDA_Category_X_L1000_Similarity": 0.515044, "FDA_Category_X_Structural_Similarity": -0.381055, "FDA_Category_X_Weighted_Contribution": -0.237114, "FDA_Category_X_Top_Rank": -0.0823033, "FDA_Category_D_and_X_L1000_Similarity": 0.94827, "FDA_Category_D_and_X_Structural_Similarity": 1.28716, "FDA_Category_D_and_X_Weighted_Contribution": 1.72762, "FDA_Category_D_and_X_Top_Rank": -0.0330207, "Placenta_Crossing_L1000_Similarity": 1.21056, "Placenta_Crossing_Structural_Similarity": 3.02532, "Placenta_Crossing_Weighted_Contribution": 3.3135, "Placenta_Crossing_Top_Rank": 0.200833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C(C1CCCCN1)C2=CC=CC=C2", "InChI_key": "DUGOZIWVEXMGBE-UHFFFAOYSA-N" } }, "CID:4170": { "type": "Drug", "properties": { "id": "CID:4170", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4170", "label": "metolazone", "FDA_Category_D_L1000_Similarity": 0.456189, "FDA_Category_D_Structural_Similarity": 0.579847, "FDA_Category_D_Weighted_Contribution": 0.735858, "FDA_Category_D_Top_Rank": -0.068053, "FDA_Category_X_L1000_Similarity": 0.923628, "FDA_Category_X_Structural_Similarity": 0.229361, "FDA_Category_X_Weighted_Contribution": 0.588288, "FDA_Category_X_Top_Rank": -0.0721924, "FDA_Category_D_and_X_L1000_Similarity": 0.67373, "FDA_Category_D_and_X_Structural_Similarity": 0.583995, "FDA_Category_D_and_X_Weighted_Contribution": 0.81612, "FDA_Category_D_and_X_Top_Rank": -0.0714772, "Placenta_Crossing_L1000_Similarity": 0.306749, "Placenta_Crossing_Structural_Similarity": 0.825859, "Placenta_Crossing_Weighted_Contribution": 0.844289, "Placenta_Crossing_Top_Rank": -0.0586283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl", "InChI_key": "AQCHWTWZEMGIFD-UHFFFAOYSA-N" } }, "CID:4178": { "type": "Drug", "properties": { "id": "CID:4178", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4178", "label": "mexiletine", "FDA_Category_D_L1000_Similarity": 1.21606, "FDA_Category_D_Structural_Similarity": -0.336197, "FDA_Category_D_Weighted_Contribution": 0.246736, "FDA_Category_D_Top_Rank": -0.0474346, "FDA_Category_X_L1000_Similarity": 2.63526, "FDA_Category_X_Structural_Similarity": 1.24524, "FDA_Category_X_Weighted_Contribution": 2.63931, "FDA_Category_X_Top_Rank": 0.24721, "FDA_Category_D_and_X_L1000_Similarity": 1.84854, "FDA_Category_D_and_X_Structural_Similarity": 0.405082, "FDA_Category_D_and_X_Weighted_Contribution": 1.32826, "FDA_Category_D_and_X_Top_Rank": 0.0441834, "Placenta_Crossing_L1000_Similarity": 1.93296, "Placenta_Crossing_Structural_Similarity": -0.421263, "Placenta_Crossing_Weighted_Contribution": 0.403056, "Placenta_Crossing_Top_Rank": 0.0275989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C)OCC(C)N", "InChI_key": "VLPIATFUUWWMKC-UHFFFAOYSA-N" } }, "CID:42642648": { "type": "Drug", "properties": { "id": "CID:42642648", "label": "varlitinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42642648", "FDA_Category_D_L1000_Similarity": -0.644811, "FDA_Category_D_Structural_Similarity": 0.049599, "FDA_Category_D_Weighted_Contribution": -0.399555, "FDA_Category_D_Top_Rank": -0.0839392, "FDA_Category_X_L1000_Similarity": -1.86902, "FDA_Category_X_Structural_Similarity": -0.730665, "FDA_Category_X_Weighted_Contribution": -1.31191, "FDA_Category_X_Top_Rank": -0.0920386, "FDA_Category_D_and_X_L1000_Similarity": -1.12342, "FDA_Category_D_and_X_Structural_Similarity": -0.354897, "FDA_Category_D_and_X_Weighted_Contribution": -0.883686, "FDA_Category_D_and_X_Top_Rank": -0.0924041, "Placenta_Crossing_L1000_Similarity": -1.03926, "Placenta_Crossing_Structural_Similarity": -0.702076, "Placenta_Crossing_Weighted_Contribution": -1.03805, "Placenta_Crossing_Top_Rank": -0.0912553, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)Cl", "InChI_key": "UWXSAYUXVSFDBQ-CYBMUJFWSA-N" } }, "CID:43345": { "type": "Drug", "properties": { "id": "CID:43345", "label": "p-1075", "lsm": "LSM-1975", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/43345", "FDA_Category_D_L1000_Similarity": 1.34061, "FDA_Category_D_Structural_Similarity": -0.890095, "FDA_Category_D_Weighted_Contribution": -0.208096, "FDA_Category_D_Top_Rank": -0.0330173, "FDA_Category_X_L1000_Similarity": 0.723616, "FDA_Category_X_Structural_Similarity": -0.730835, "FDA_Category_X_Weighted_Contribution": -0.453472, "FDA_Category_X_Top_Rank": -0.0786758, "FDA_Category_D_and_X_L1000_Similarity": 1.37538, "FDA_Category_D_and_X_Structural_Similarity": -1.10084, "FDA_Category_D_and_X_Weighted_Contribution": -0.413561, "FDA_Category_D_and_X_Top_Rank": -0.039946, "Placenta_Crossing_L1000_Similarity": 1.92411, "Placenta_Crossing_Structural_Similarity": -1.02838, "Placenta_Crossing_Weighted_Contribution": -0.181165, "Placenta_Crossing_Top_Rank": 0.0250173, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1", "InChI_key": "HKZNADVVGXKQDL-UHFFFAOYSA-N" } }, "CID:435678": { "type": "Drug", "properties": { "id": "CID:435678", "label": "hli-373", "lsm": "LSM-6225", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/435678", "FDA_Category_D_L1000_Similarity": 0.60445, "FDA_Category_D_Structural_Similarity": 1.16456, "FDA_Category_D_Weighted_Contribution": 1.46711, "FDA_Category_D_Top_Rank": -0.0421723, "FDA_Category_X_L1000_Similarity": -1.0705, "FDA_Category_X_Structural_Similarity": -0.712857, "FDA_Category_X_Weighted_Contribution": -1.08678, "FDA_Category_X_Top_Rank": -0.0913765, "FDA_Category_D_and_X_L1000_Similarity": 0.19595, "FDA_Category_D_and_X_Structural_Similarity": 0.539676, "FDA_Category_D_and_X_Weighted_Contribution": 0.491215, "FDA_Category_D_and_X_Top_Rank": -0.0727271, "Placenta_Crossing_L1000_Similarity": 0.327881, "Placenta_Crossing_Structural_Similarity": 0.321004, "Placenta_Crossing_Weighted_Contribution": 0.330342, "Placenta_Crossing_Top_Rank": -0.0745248, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=C3C1=NC(=O)N(C3=O)C)NCCCN(C)C", "InChI_key": "LNRUPMPQQGPSQT-UHFFFAOYSA-N" } }, "CID:439285": { "type": "Drug", "properties": { "id": "CID:439285", "label": "choline-alfoscerate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/439285", "FDA_Category_D_L1000_Similarity": 1.5368, "FDA_Category_D_Structural_Similarity": -0.360677, "FDA_Category_D_Weighted_Contribution": 0.412345, "FDA_Category_D_Top_Rank": -0.000589375, "FDA_Category_X_L1000_Similarity": 2.07196, "FDA_Category_X_Structural_Similarity": 1.40886, "FDA_Category_X_Weighted_Contribution": 2.52335, "FDA_Category_X_Top_Rank": 0.0224651, "FDA_Category_D_and_X_L1000_Similarity": 1.95395, "FDA_Category_D_and_X_Structural_Similarity": 0.47394, "FDA_Category_D_and_X_Weighted_Contribution": 1.46475, "FDA_Category_D_and_X_Top_Rank": 0.0786605, "Placenta_Crossing_L1000_Similarity": 1.59593, "Placenta_Crossing_Structural_Similarity": 0.328683, "Placenta_Crossing_Weighted_Contribution": 1.01264, "Placenta_Crossing_Top_Rank": -0.0291718, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4418": { "type": "Drug", "properties": { "id": "CID:4418", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4418", "label": "naftopidil", "FDA_Category_D_L1000_Similarity": 1.70933, "FDA_Category_D_Structural_Similarity": -0.367607, "FDA_Category_D_Weighted_Contribution": 0.509839, "FDA_Category_D_Top_Rank": 0.0448675, "FDA_Category_X_L1000_Similarity": 1.82935, "FDA_Category_X_Structural_Similarity": -0.202398, "FDA_Category_X_Weighted_Contribution": 0.611801, "FDA_Category_X_Top_Rank": -0.0149721, "FDA_Category_D_and_X_L1000_Similarity": 2.02901, "FDA_Category_D_and_X_Structural_Similarity": -0.400988, "FDA_Category_D_and_X_Weighted_Contribution": 0.580485, "FDA_Category_D_and_X_Top_Rank": 0.10728, "Placenta_Crossing_L1000_Similarity": 2.5474, "Placenta_Crossing_Structural_Similarity": -0.441087, "Placenta_Crossing_Weighted_Contribution": 0.7059, "Placenta_Crossing_Top_Rank": 0.318195, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O", "InChI_key": "HRRBJVNMSRJFHQ-UHFFFAOYSA-N" } }, "CID:44205240": { "type": "Drug", "properties": { "id": "CID:44205240", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44205240", "label": "baricitinib", "FDA_Category_D_L1000_Similarity": 2.71013, "FDA_Category_D_Structural_Similarity": -0.614107, "FDA_Category_D_Weighted_Contribution": 0.871463, "FDA_Category_D_Top_Rank": 1.5858, "FDA_Category_X_L1000_Similarity": 2.40733, "FDA_Category_X_Structural_Similarity": -0.677577, "FDA_Category_X_Weighted_Contribution": 0.410558, "FDA_Category_X_Top_Rank": 0.116236, "FDA_Category_D_and_X_L1000_Similarity": 3.06723, "FDA_Category_D_and_X_Structural_Similarity": -0.853042, "FDA_Category_D_and_X_Weighted_Contribution": 0.715758, "FDA_Category_D_and_X_Top_Rank": 2.10535, "Placenta_Crossing_L1000_Similarity": 2.69683, "Placenta_Crossing_Structural_Similarity": -0.681355, "Placenta_Crossing_Weighted_Contribution": 0.533812, "Placenta_Crossing_Top_Rank": 0.454202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3", "InChI_key": "XUZMWHLSFXCVMG-UHFFFAOYSA-N" } }, "CID:442128": { "type": "Drug", "properties": { "id": "CID:442128", "label": "dihydrosamidin", "lsm": "LSM-3429", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442128", "FDA_Category_D_L1000_Similarity": 1.49962, "FDA_Category_D_Structural_Similarity": 2.11256, "FDA_Category_D_Weighted_Contribution": 2.90586, "FDA_Category_D_Top_Rank": 0.0687955, "FDA_Category_X_L1000_Similarity": 0.354409, "FDA_Category_X_Structural_Similarity": 4.13146, "FDA_Category_X_Weighted_Contribution": 3.90007, "FDA_Category_X_Top_Rank": 0.624597, "FDA_Category_D_and_X_L1000_Similarity": 1.40033, "FDA_Category_D_and_X_Structural_Similarity": 3.90609, "FDA_Category_D_and_X_Weighted_Contribution": 3.79674, "FDA_Category_D_and_X_Top_Rank": 0.652461, "Placenta_Crossing_L1000_Similarity": 1.29691, "Placenta_Crossing_Structural_Similarity": 1.47365, "Placenta_Crossing_Weighted_Contribution": 2.0655, "Placenta_Crossing_Top_Rank": -0.0213022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C", "InChI_key": "ALKTVPFKDYZFGA-WOJBJXKFSA-N" } }, "CID:442428": { "type": "Drug", "properties": { "id": "CID:442428", "label": "naringin", "lsm": "LSM-2038", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442428", "FDA_Category_D_L1000_Similarity": 0.6435, "FDA_Category_D_Structural_Similarity": 0.10063, "FDA_Category_D_Weighted_Contribution": 0.34912, "FDA_Category_D_Top_Rank": -0.0813224, "FDA_Category_X_L1000_Similarity": 0.126621, "FDA_Category_X_Structural_Similarity": 0.537761, "FDA_Category_X_Weighted_Contribution": 0.490025, "FDA_Category_X_Top_Rank": -0.0602494, "FDA_Category_D_and_X_L1000_Similarity": 0.593161, "FDA_Category_D_and_X_Structural_Similarity": 0.370045, "FDA_Category_D_and_X_Weighted_Contribution": 0.545577, "FDA_Category_D_and_X_Top_Rank": -0.0777152, "Placenta_Crossing_L1000_Similarity": 0.705267, "Placenta_Crossing_Structural_Similarity": -0.0522897, "Placenta_Crossing_Weighted_Contribution": 0.150962, "Placenta_Crossing_Top_Rank": -0.078764, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O", "InChI_key": "DFPMSGMNTNDNHN-ZPHOTFPESA-N" } }, "CID:443944": { "type": "Drug", "properties": { "id": "CID:443944", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443944", "label": "metrizamide", "FDA_Category_D_L1000_Similarity": 0.81386, "FDA_Category_D_Structural_Similarity": 0.779252, "FDA_Category_D_Weighted_Contribution": 1.17991, "FDA_Category_D_Top_Rank": -0.0612165, "FDA_Category_X_L1000_Similarity": -0.534593, "FDA_Category_X_Structural_Similarity": 0.310016, "FDA_Category_X_Weighted_Contribution": -0.0816384, "FDA_Category_X_Top_Rank": -0.069379, "FDA_Category_D_and_X_L1000_Similarity": 0.539214, "FDA_Category_D_and_X_Structural_Similarity": 0.785786, "FDA_Category_D_and_X_Weighted_Contribution": 0.950294, "FDA_Category_D_and_X_Top_Rank": -0.0639031, "Placenta_Crossing_L1000_Similarity": 0.432166, "Placenta_Crossing_Structural_Similarity": 0.773746, "Placenta_Crossing_Weighted_Contribution": 0.856591, "Placenta_Crossing_Top_Rank": -0.0604074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(=O)C)I", "InChI_key": "BAQCROVBDNBEEB-UBYUBLNFSA-N" } }, "CID:44473128": { "type": "Drug", "properties": { "id": "CID:44473128", "label": "ku-c103672", "lsm": "LSM-3037", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44473128", "FDA_Category_D_L1000_Similarity": 0.378476, "FDA_Category_D_Structural_Similarity": 0.44383, "FDA_Category_D_Weighted_Contribution": 0.543422, "FDA_Category_D_Top_Rank": -0.0730196, "FDA_Category_X_L1000_Similarity": -0.922127, "FDA_Category_X_Structural_Similarity": -0.613624, "FDA_Category_X_Weighted_Contribution": -0.979475, "FDA_Category_X_Top_Rank": -0.0911352, "FDA_Category_D_and_X_L1000_Similarity": 0.0462309, "FDA_Category_D_and_X_Structural_Similarity": 0.0211646, "FDA_Category_D_and_X_Weighted_Contribution": -0.091056, "FDA_Category_D_and_X_Top_Rank": -0.0858776, "Placenta_Crossing_L1000_Similarity": 1.02844, "Placenta_Crossing_Structural_Similarity": -0.530223, "Placenta_Crossing_Weighted_Contribution": -0.142151, "Placenta_Crossing_Top_Rank": -0.0695393, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NC2=C1C(=O)N(C=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)C", "InChI_key": "QCKTXJMYYWWSQN-UHFFFAOYSA-N" } }, "CID:44483393": { "type": "Drug", "properties": { "id": "CID:44483393", "label": "sa-85901", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483393", "FDA_Category_D_L1000_Similarity": 0.971947, "FDA_Category_X_L1000_Similarity": 0.520336, "FDA_Category_D_and_X_L1000_Similarity": 0.995856, "Placenta_Crossing_L1000_Similarity": 1.18455, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)OC1CN(C)CC5=CC6=C(C=C5)OCO6)C(C)CO", "InChI_key": "JVQYZDSRPVTFBX-CURJATOHSA-N" } }, "CID:44483957": { "type": "Drug", "properties": { "id": "CID:44483957", "label": "sa-424936", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483957", "FDA_Category_D_L1000_Similarity": 0.98641, "FDA_Category_X_L1000_Similarity": 0.410223, "FDA_Category_D_and_X_L1000_Similarity": 0.974876, "Placenta_Crossing_L1000_Similarity": 1.20747, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)CCCN(C)C", "InChI_key": "YRAOJEGTHQJVGH-XHHBKWMTSA-N" } }, "CID:44484592": { "type": "Drug", "properties": { "id": "CID:44484592", "label": "SA-424534", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484592", "FDA_Category_D_L1000_Similarity": -0.257697, "FDA_Category_X_L1000_Similarity": -0.392352, "FDA_Category_D_and_X_L1000_Similarity": -0.341292, "Placenta_Crossing_L1000_Similarity": -0.273752, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44485243": { "type": "Drug", "properties": { "id": "CID:44485243", "label": "SA-85290", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44485243", "FDA_Category_D_L1000_Similarity": -0.176373, "FDA_Category_D_Structural_Similarity": -0.829377, "FDA_Category_D_Weighted_Contribution": -0.850176, "FDA_Category_D_Top_Rank": -0.0935386, "FDA_Category_X_L1000_Similarity": 0.918417, "FDA_Category_X_Structural_Similarity": 0.513891, "FDA_Category_X_Weighted_Contribution": 0.901713, "FDA_Category_X_Top_Rank": -0.0615664, "FDA_Category_D_and_X_L1000_Similarity": 0.126863, "FDA_Category_D_and_X_Structural_Similarity": -0.380994, "FDA_Category_D_and_X_Weighted_Contribution": -0.3974, "FDA_Category_D_and_X_Top_Rank": -0.0910384, "Placenta_Crossing_L1000_Similarity": 0.71931, "Placenta_Crossing_Structural_Similarity": -0.545139, "Placenta_Crossing_Weighted_Contribution": -0.292437, "Placenta_Crossing_Top_Rank": -0.0784516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44488751": { "type": "Drug", "properties": { "id": "CID:44488751", "label": "sa-422830", "lsm": "LSM-6630", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488751", "FDA_Category_D_L1000_Similarity": 0.280075, "FDA_Category_X_L1000_Similarity": 0.0116791, "FDA_Category_D_and_X_L1000_Similarity": 0.244974, "Placenta_Crossing_L1000_Similarity": 0.694684, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "GEPQSEIVCGMSGO-GHTOCUPCSA-N" } }, "CID:44488994": { "type": "Drug", "properties": { "id": "CID:44488994", "label": "sa-89068", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488994", "FDA_Category_D_L1000_Similarity": -1.19158, "FDA_Category_X_L1000_Similarity": 1.04681, "FDA_Category_D_and_X_L1000_Similarity": -0.709265, "Placenta_Crossing_L1000_Similarity": -1.24231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)OC1CN(C)CC5=CC6=C(C=C5)OCO6)C(C)CO", "InChI_key": "JVQYZDSRPVTFBX-SOTYFPCESA-N" } }, "CID:44489864": { "type": "Drug", "properties": { "id": "CID:44489864", "label": "sa-424589", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489864", "FDA_Category_D_L1000_Similarity": 1.2665, "FDA_Category_X_L1000_Similarity": -0.911448, "FDA_Category_D_and_X_L1000_Similarity": 0.814955, "Placenta_Crossing_L1000_Similarity": 0.421777, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)CCCN(C)C", "InChI_key": "YRAOJEGTHQJVGH-JLMYGFKKSA-N" } }, "CID:44490269": { "type": "Drug", "properties": { "id": "CID:44490269", "label": "SA-102787", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44490269", "FDA_Category_D_L1000_Similarity": -0.825079, "FDA_Category_D_Structural_Similarity": -0.143289, "FDA_Category_D_Weighted_Contribution": -0.634714, "FDA_Category_D_Top_Rank": -0.0884264, "FDA_Category_X_L1000_Similarity": -1.22337, "FDA_Category_X_Structural_Similarity": 0.152597, "FDA_Category_X_Weighted_Contribution": -0.529241, "FDA_Category_X_Top_Rank": -0.0752583, "FDA_Category_D_and_X_L1000_Similarity": -1.08275, "FDA_Category_D_and_X_Structural_Similarity": -0.0313902, "FDA_Category_D_and_X_Weighted_Contribution": -0.649631, "FDA_Category_D_and_X_Top_Rank": -0.086955, "Placenta_Crossing_L1000_Similarity": -0.267034, "Placenta_Crossing_Structural_Similarity": 0.47273, "Placenta_Crossing_Weighted_Contribution": 0.181827, "Placenta_Crossing_Top_Rank": -0.0703137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44491516": { "type": "Drug", "properties": { "id": "CID:44491516", "label": "SA-432137", "lsm": "LSM-14980", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44491516", "FDA_Category_D_L1000_Similarity": 0.15877, "FDA_Category_X_L1000_Similarity": 0.00905581, "FDA_Category_D_and_X_L1000_Similarity": 0.139617, "Placenta_Crossing_L1000_Similarity": 0.597805, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44498587": { "type": "Drug", "properties": { "id": "CID:44498587", "label": "sa-425500", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44498587", "FDA_Category_D_L1000_Similarity": -2.327, "FDA_Category_X_L1000_Similarity": -0.394971, "FDA_Category_D_and_X_L1000_Similarity": -2.12586, "Placenta_Crossing_L1000_Similarity": -3.01476, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(C)CO)C)CN(C)CC4CCCCC4", "InChI_key": "PEUKOTPXCYQHOA-ZIZQKJAQSA-N" } }, "CID:44500706": { "type": "Drug", "properties": { "id": "CID:44500706", "label": "sa-97259", "lsm": "LSM-6085", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44500706", "FDA_Category_D_L1000_Similarity": -1.00836, "FDA_Category_D_Structural_Similarity": -0.603252, "FDA_Category_D_Weighted_Contribution": -1.01342, "FDA_Category_D_Top_Rank": -0.0950778, "FDA_Category_X_L1000_Similarity": 0.554448, "FDA_Category_X_Structural_Similarity": 0.951442, "FDA_Category_X_Weighted_Contribution": 1.19162, "FDA_Category_X_Top_Rank": -0.0433323, "FDA_Category_D_and_X_L1000_Similarity": -0.700849, "FDA_Category_D_and_X_Structural_Similarity": 0.034585, "FDA_Category_D_and_X_Weighted_Contribution": -0.436404, "FDA_Category_D_and_X_Top_Rank": -0.0855854, "Placenta_Crossing_L1000_Similarity": -1.01293, "Placenta_Crossing_Structural_Similarity": -0.728423, "Placenta_Crossing_Weighted_Contribution": -1.04541, "Placenta_Crossing_Top_Rank": -0.0913849, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)OC1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)C(C)CO", "InChI_key": "FVBMANNWVHBCBY-LGVUCKNBSA-N" } }, "CID:44502953": { "type": "Drug", "properties": { "id": "CID:44502953", "label": "sd-6-035-b4", "lsm": "LSM-6785", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44502953", "FDA_Category_D_L1000_Similarity": 0.492332, "FDA_Category_X_L1000_Similarity": 1.3458, "FDA_Category_D_and_X_L1000_Similarity": 0.83309, "Placenta_Crossing_L1000_Similarity": 1.19494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-WLCCTRHUSA-N" } }, "CID:44503093": { "type": "Drug", "properties": { "id": "CID:44503093", "label": "SA-246522", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44503093", "FDA_Category_D_L1000_Similarity": 1.48351, "FDA_Category_X_L1000_Similarity": -0.59481, "FDA_Category_D_and_X_L1000_Similarity": 1.09819, "Placenta_Crossing_L1000_Similarity": 1.19705, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44504286": { "type": "Drug", "properties": { "id": "CID:44504286", "label": "SA-102042", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44504286", "FDA_Category_D_L1000_Similarity": 0.0287502, "FDA_Category_X_L1000_Similarity": -1.18232, "FDA_Category_D_and_X_L1000_Similarity": -0.334275, "Placenta_Crossing_L1000_Similarity": -0.30402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44506630": { "type": "Drug", "properties": { "id": "CID:44506630", "label": "sa-247384", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44506630", "FDA_Category_D_L1000_Similarity": -0.496845, "FDA_Category_X_L1000_Similarity": 0.558605, "FDA_Category_D_and_X_L1000_Similarity": -0.258653, "Placenta_Crossing_L1000_Similarity": -0.742067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)OC1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C(C)CO", "InChI_key": "ZBLCOVKAEUNWGN-WDCWYOMISA-N" } }, "CID:44507247": { "type": "Drug", "properties": { "id": "CID:44507247", "label": "sa-1017940", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507247", "FDA_Category_D_L1000_Similarity": -0.358889, "FDA_Category_X_L1000_Similarity": -0.619309, "FDA_Category_D_and_X_L1000_Similarity": -0.497436, "Placenta_Crossing_L1000_Similarity": -1.5921, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)OC1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C(C)CO", "InChI_key": "ZBLCOVKAEUNWGN-LWPQGVMLSA-N" } }, "CID:44507299": { "type": "Drug", "properties": { "id": "CID:44507299", "label": "SA-247636", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507299", "FDA_Category_D_L1000_Similarity": -0.515155, "FDA_Category_D_Structural_Similarity": -0.330926, "FDA_Category_D_Weighted_Contribution": -0.639299, "FDA_Category_D_Top_Rank": -0.0918941, "FDA_Category_X_L1000_Similarity": -0.595391, "FDA_Category_X_Structural_Similarity": -0.3238, "FDA_Category_X_Weighted_Contribution": -0.658545, "FDA_Category_X_Top_Rank": -0.0869219, "FDA_Category_D_and_X_L1000_Similarity": -0.624879, "FDA_Category_D_and_X_Structural_Similarity": -0.437382, "FDA_Category_D_and_X_Weighted_Contribution": -0.754564, "FDA_Category_D_and_X_Top_Rank": -0.0933799, "Placenta_Crossing_L1000_Similarity": -1.32293, "Placenta_Crossing_Structural_Similarity": -0.278819, "Placenta_Crossing_Weighted_Contribution": -0.868846, "Placenta_Crossing_Top_Rank": -0.0871592, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44507307": { "type": "Drug", "properties": { "id": "CID:44507307", "label": "SA-247654", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507307", "FDA_Category_D_L1000_Similarity": -0.000612026, "FDA_Category_X_L1000_Similarity": 1.27747, "FDA_Category_D_and_X_L1000_Similarity": 0.387424, "Placenta_Crossing_L1000_Similarity": 1.09776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44508028": { "type": "Drug", "properties": { "id": "CID:44508028", "label": "SA-247582", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44508028", "FDA_Category_D_L1000_Similarity": -1.80433, "FDA_Category_D_Structural_Similarity": -0.589331, "FDA_Category_D_Weighted_Contribution": -1.25389, "FDA_Category_D_Top_Rank": -0.0949434, "FDA_Category_X_L1000_Similarity": 0.415343, "FDA_Category_X_Structural_Similarity": -0.393727, "FDA_Category_X_Weighted_Contribution": -0.293861, "FDA_Category_X_Top_Rank": -0.0835638, "FDA_Category_D_and_X_L1000_Similarity": -1.42923, "FDA_Category_D_and_X_Structural_Similarity": -0.680213, "FDA_Category_D_and_X_Weighted_Contribution": -1.16383, "FDA_Category_D_and_X_Top_Rank": -0.0953183, "Placenta_Crossing_L1000_Similarity": -1.32912, "Placenta_Crossing_Structural_Similarity": -0.439135, "Placenta_Crossing_Weighted_Contribution": -0.970376, "Placenta_Crossing_Top_Rank": -0.0891109, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:445621": { "type": "Drug", "properties": { "id": "CID:445621", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID445621", "label": "Glucosamine", "FDA_Category_D_L1000_Similarity": 0.728304, "FDA_Category_D_Structural_Similarity": 1.7646, "FDA_Category_D_Weighted_Contribution": 2.1762, "FDA_Category_D_Top_Rank": 0.0155123, "FDA_Category_X_L1000_Similarity": 0.802132, "FDA_Category_X_Structural_Similarity": 0.149234, "FDA_Category_X_Weighted_Contribution": 0.435735, "FDA_Category_X_Top_Rank": -0.0753152, "FDA_Category_D_and_X_L1000_Similarity": 0.871399, "FDA_Category_D_and_X_Structural_Similarity": 1.48111, "FDA_Category_D_and_X_Weighted_Contribution": 1.88332, "FDA_Category_D_and_X_Top_Rank": -0.0169586, "Placenta_Crossing_L1000_Similarity": 0.827153, "Placenta_Crossing_Structural_Similarity": -0.647435, "Placenta_Crossing_Weighted_Contribution": -0.332736, "Placenta_Crossing_Top_Rank": -0.0755653, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44620013": { "type": "Drug", "properties": { "id": "CID:44620013", "label": "SA-424294", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44620013", "FDA_Category_D_L1000_Similarity": 0.48099, "FDA_Category_D_Structural_Similarity": -0.0541318, "FDA_Category_D_Weighted_Contribution": 0.100824, "FDA_Category_D_Top_Rank": -0.0856617, "FDA_Category_X_L1000_Similarity": 1.29269, "FDA_Category_X_Structural_Similarity": -0.271065, "FDA_Category_X_Weighted_Contribution": 0.251433, "FDA_Category_X_Top_Rank": -0.0597171, "FDA_Category_D_and_X_L1000_Similarity": 0.807179, "FDA_Category_D_and_X_Structural_Similarity": -0.18923, "FDA_Category_D_and_X_Weighted_Contribution": 0.10943, "FDA_Category_D_and_X_Top_Rank": -0.0774897, "Placenta_Crossing_L1000_Similarity": 0.545598, "Placenta_Crossing_Structural_Similarity": -0.019346, "Placenta_Crossing_Weighted_Contribution": 0.104667, "Placenta_Crossing_Top_Rank": -0.082177, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4462449": { "type": "Drug", "properties": { "id": "CID:4462449", "label": "cay-10578", "lsm": "LSM-5652", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4462449", "FDA_Category_D_L1000_Similarity": 0.659534, "FDA_Category_X_L1000_Similarity": 1.50793, "FDA_Category_D_and_X_L1000_Similarity": 1.02645, "Placenta_Crossing_L1000_Similarity": 1.32058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(=O)O)N1C(=O)C2=C(C1=O)C(=C(C(=C2I)I)I)I", "InChI_key": "FLSXICNYHDJIAW-UHFFFAOYSA-N" } }, "CID:44629987": { "type": "Drug", "properties": { "id": "CID:44629987", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44629987", "label": "Brivudine", "FDA_Category_D_L1000_Similarity": 1.07773, "FDA_Category_D_Structural_Similarity": 1.11325, "FDA_Category_D_Weighted_Contribution": 1.71126, "FDA_Category_D_Top_Rank": -0.0451279, "FDA_Category_X_L1000_Similarity": 0.703937, "FDA_Category_X_Structural_Similarity": -0.665726, "FDA_Category_X_Weighted_Contribution": -0.406227, "FDA_Category_X_Top_Rank": -0.0790593, "FDA_Category_D_and_X_L1000_Similarity": 1.14279, "FDA_Category_D_and_X_Structural_Similarity": 0.524382, "FDA_Category_D_and_X_Weighted_Contribution": 1.03242, "FDA_Category_D_and_X_Top_Rank": -0.0597411, "Placenta_Crossing_L1000_Similarity": -0.254769, "Placenta_Crossing_Structural_Similarity": 0.905103, "Placenta_Crossing_Weighted_Contribution": 0.626614, "Placenta_Crossing_Top_Rank": -0.0548688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:446598": { "type": "Drug", "properties": { "id": "CID:446598", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446598", "label": "Clindamycin", "FDA_Category_D_L1000_Similarity": 0.867314, "FDA_Category_D_Structural_Similarity": 1.00187, "FDA_Category_D_Weighted_Contribution": 1.45757, "FDA_Category_D_Top_Rank": -0.0505939, "FDA_Category_X_L1000_Similarity": 1.35794, "FDA_Category_X_Structural_Similarity": 0.327769, "FDA_Category_X_Weighted_Contribution": 0.939869, "FDA_Category_X_Top_Rank": -0.0555244, "FDA_Category_D_and_X_L1000_Similarity": 1.16001, "FDA_Category_D_and_X_Structural_Similarity": 0.972064, "FDA_Category_D_and_X_Weighted_Contribution": 1.52111, "FDA_Category_D_and_X_Top_Rank": -0.0548329, "Placenta_Crossing_L1000_Similarity": 1.82329, "Placenta_Crossing_Structural_Similarity": 2.41888, "Placenta_Crossing_Weighted_Contribution": 3.11624, "Placenta_Crossing_Top_Rank": 0.0769093, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:446916": { "type": "Drug", "properties": { "id": "CID:446916", "label": "mdl-29951", "lsm": "LSM-3330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/446916", "FDA_Category_D_L1000_Similarity": 0.165241, "FDA_Category_D_Structural_Similarity": -0.836542, "FDA_Category_D_Weighted_Contribution": -0.717514, "FDA_Category_D_Top_Rank": -0.0905772, "FDA_Category_X_L1000_Similarity": 0.0513728, "FDA_Category_X_Structural_Similarity": -0.617486, "FDA_Category_X_Weighted_Contribution": -0.635233, "FDA_Category_X_Top_Rank": -0.0872344, "FDA_Category_D_and_X_L1000_Similarity": 0.158036, "FDA_Category_D_and_X_Structural_Similarity": -0.997167, "FDA_Category_D_and_X_Weighted_Contribution": -0.835068, "FDA_Category_D_and_X_Top_Rank": -0.0907215, "Placenta_Crossing_L1000_Similarity": 1.29405, "Placenta_Crossing_Structural_Similarity": -0.680277, "Placenta_Crossing_Weighted_Contribution": -0.155847, "Placenta_Crossing_Top_Rank": -0.056122, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl", "InChI_key": "KNBSYZNKEAWABY-UHFFFAOYSA-N" } }, "CID:447966": { "type": "Drug", "properties": { "id": "CID:447966", "label": "4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline", "lsm": "LSM-2120", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/447966", "FDA_Category_D_L1000_Similarity": 2.26157, "FDA_Category_D_Structural_Similarity": 0.0609625, "FDA_Category_D_Weighted_Contribution": 1.32165, "FDA_Category_D_Top_Rank": 0.409579, "FDA_Category_X_L1000_Similarity": -0.404016, "FDA_Category_X_Structural_Similarity": -0.694592, "FDA_Category_X_Weighted_Contribution": -0.860336, "FDA_Category_X_Top_Rank": -0.089699, "FDA_Category_D_and_X_L1000_Similarity": 1.82682, "FDA_Category_D_and_X_Structural_Similarity": -0.326413, "FDA_Category_D_and_X_Weighted_Contribution": 0.540525, "FDA_Category_D_and_X_Top_Rank": 0.0376881, "Placenta_Crossing_L1000_Similarity": 2.83212, "Placenta_Crossing_Structural_Similarity": 0.965584, "Placenta_Crossing_Weighted_Contribution": 2.33073, "Placenta_Crossing_Top_Rank": 0.614144, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4", "InChI_key": "IBCXZJCWDGCXQT-UHFFFAOYSA-N" } }, "CID:449196": { "type": "Drug", "properties": { "id": "CID:449196", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID449196", "label": "Androstanol", "FDA_Category_D_L1000_Similarity": 0.863147, "FDA_Category_X_L1000_Similarity": 2.73206, "FDA_Category_D_and_X_L1000_Similarity": 1.57372, "Placenta_Crossing_L1000_Similarity": 1.88377, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:45006121": { "type": "Drug", "properties": { "id": "CID:45006121", "label": "lacitol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45006121", "FDA_Category_D_L1000_Similarity": -0.306954, "FDA_Category_D_Structural_Similarity": -0.286884, "FDA_Category_D_Weighted_Contribution": -0.51186, "FDA_Category_D_Top_Rank": -0.0911683, "FDA_Category_X_L1000_Similarity": 1.5088, "FDA_Category_X_Structural_Similarity": -0.590945, "FDA_Category_X_Weighted_Contribution": 0.0368105, "FDA_Category_X_Top_Rank": -0.046399, "FDA_Category_D_and_X_L1000_Similarity": 0.193596, "FDA_Category_D_and_X_Structural_Similarity": -0.546575, "FDA_Category_D_and_X_Weighted_Contribution": -0.499302, "FDA_Category_D_and_X_Top_Rank": -0.0902863, "Placenta_Crossing_L1000_Similarity": -0.591637, "Placenta_Crossing_Structural_Similarity": -0.576851, "Placenta_Crossing_Weighted_Contribution": -0.821194, "Placenta_Crossing_Top_Rank": -0.0903748, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:45006141": { "type": "Drug", "properties": { "id": "CID:45006141", "label": "pregnenolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45006141", "FDA_Category_D_L1000_Similarity": 1.96107, "FDA_Category_D_Structural_Similarity": -0.317534, "FDA_Category_D_Weighted_Contribution": 0.718581, "FDA_Category_D_Top_Rank": 0.167735, "FDA_Category_X_L1000_Similarity": -0.39159, "FDA_Category_X_Structural_Similarity": 2.05819, "FDA_Category_X_Weighted_Contribution": 1.90783, "FDA_Category_X_Top_Rank": 0.0465504, "FDA_Category_D_and_X_L1000_Similarity": 1.57156, "FDA_Category_D_and_X_Structural_Similarity": 0.858558, "FDA_Category_D_and_X_Weighted_Contribution": 1.64478, "FDA_Category_D_and_X_Top_Rank": -0.0124779, "Placenta_Crossing_L1000_Similarity": 1.05746, "Placenta_Crossing_Structural_Similarity": 0.0321429, "Placenta_Crossing_Weighted_Contribution": 0.412473, "Placenta_Crossing_Top_Rank": -0.0681937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C", "InChI_key": "OZZAYJQNMKMUSD-NNEZGNMOSA-N" } }, "CID:45259137": { "type": "Drug", "properties": { "id": "CID:45259137", "label": "VU-0415011", "lsm": "LSM-4201", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45259137", "FDA_Category_D_L1000_Similarity": -0.0269061, "FDA_Category_D_Structural_Similarity": -0.0527158, "FDA_Category_D_Weighted_Contribution": -0.175441, "FDA_Category_D_Top_Rank": -0.0863802, "FDA_Category_X_L1000_Similarity": 0.527126, "FDA_Category_X_Structural_Similarity": -0.700262, "FDA_Category_X_Weighted_Contribution": -0.510203, "FDA_Category_X_Top_Rank": -0.082171, "FDA_Category_D_and_X_L1000_Similarity": 0.136891, "FDA_Category_D_and_X_Structural_Similarity": -0.4197, "FDA_Category_D_and_X_Weighted_Contribution": -0.424124, "FDA_Category_D_and_X_Top_Rank": -0.0909626, "Placenta_Crossing_L1000_Similarity": 0.473925, "Placenta_Crossing_Structural_Similarity": -0.273957, "Placenta_Crossing_Weighted_Contribution": -0.164529, "Placenta_Crossing_Top_Rank": -0.0833598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:45358132": { "type": "Drug", "properties": { "id": "CID:45358132", "label": "icariin", "lsm": "LSM-3462", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45358132", "FDA_Category_D_L1000_Similarity": 1.58129, "FDA_Category_D_Structural_Similarity": 0.234263, "FDA_Category_D_Weighted_Contribution": 1.07534, "FDA_Category_D_Top_Rank": 0.00924344, "FDA_Category_X_L1000_Similarity": 1.75751, "FDA_Category_X_Structural_Similarity": 0.301023, "FDA_Category_X_Weighted_Contribution": 1.13645, "FDA_Category_X_Top_Rank": -0.0245305, "FDA_Category_D_and_X_L1000_Similarity": 1.89683, "FDA_Category_D_and_X_Structural_Similarity": 0.348368, "FDA_Category_D_and_X_Weighted_Contribution": 1.29654, "FDA_Category_D_and_X_Top_Rank": 0.0596151, "Placenta_Crossing_L1000_Similarity": 2.09771, "Placenta_Crossing_Structural_Similarity": 0.459978, "Placenta_Crossing_Weighted_Contribution": 1.42932, "Placenta_Crossing_Top_Rank": 0.0746699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:454217": { "type": "Drug", "properties": { "id": "CID:454217", "label": "prostratin", "lsm": "LSM-4888", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/454217", "FDA_Category_D_L1000_Similarity": -0.394596, "FDA_Category_D_Structural_Similarity": 0.706096, "FDA_Category_D_Weighted_Contribution": 0.34665, "FDA_Category_D_Top_Rank": -0.063988, "FDA_Category_X_L1000_Similarity": 0.00517993, "FDA_Category_X_Structural_Similarity": 1.54899, "FDA_Category_X_Weighted_Contribution": 1.55941, "FDA_Category_X_Top_Rank": -0.0061106, "FDA_Category_D_and_X_L1000_Similarity": -0.338574, "FDA_Category_D_and_X_Structural_Similarity": 1.39627, "FDA_Category_D_and_X_Weighted_Contribution": 1.07678, "FDA_Category_D_and_X_Top_Rank": -0.023406, "Placenta_Crossing_L1000_Similarity": -1.61838, "Placenta_Crossing_Structural_Similarity": 0.810134, "Placenta_Crossing_Weighted_Contribution": -0.144296, "Placenta_Crossing_Top_Rank": -0.0591736, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C", "InChI_key": "BOJKFRKNLSCGHY-HXGSDTCMSA-N" } }, "CID:4567": { "type": "Drug", "properties": { "id": "CID:4567", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4567", "label": "nylidrin", "FDA_Category_D_L1000_Similarity": 0.141024, "FDA_Category_D_Structural_Similarity": 0.299615, "FDA_Category_D_Weighted_Contribution": 0.253018, "FDA_Category_D_Top_Rank": -0.0772418, "FDA_Category_X_L1000_Similarity": 0.0772423, "FDA_Category_X_Structural_Similarity": -0.56896, "FDA_Category_X_Weighted_Contribution": -0.586578, "FDA_Category_X_Top_Rank": -0.0870244, "FDA_Category_D_and_X_L1000_Similarity": 0.145014, "FDA_Category_D_and_X_Structural_Similarity": -0.0692002, "FDA_Category_D_and_X_Weighted_Contribution": -0.122492, "FDA_Category_D_and_X_Top_Rank": -0.0876947, "Placenta_Crossing_L1000_Similarity": 0.402107, "Placenta_Crossing_Structural_Similarity": 2.5676, "Placenta_Crossing_Weighted_Contribution": 2.66622, "Placenta_Crossing_Top_Rank": 0.100017, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O", "InChI_key": "PTGXAUBQBSGPKF-UHFFFAOYSA-N" } }, "CID:457928": { "type": "Drug", "properties": { "id": "CID:457928", "label": "bevirimat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/457928", "FDA_Category_D_L1000_Similarity": 1.72103, "FDA_Category_D_Structural_Similarity": -0.784742, "FDA_Category_D_Weighted_Contribution": 0.0965073, "FDA_Category_D_Top_Rank": 0.048382, "FDA_Category_X_L1000_Similarity": 1.19223, "FDA_Category_X_Structural_Similarity": 1.3784, "FDA_Category_X_Weighted_Contribution": 2.03153, "FDA_Category_X_Top_Rank": -0.0161004, "FDA_Category_D_and_X_L1000_Similarity": 1.84561, "FDA_Category_D_and_X_Structural_Similarity": 0.120921, "FDA_Category_D_and_X_Weighted_Contribution": 1.02228, "FDA_Category_D_and_X_Top_Rank": 0.0430596, "Placenta_Crossing_L1000_Similarity": 1.15993, "Placenta_Crossing_Structural_Similarity": 0.570402, "Placenta_Crossing_Weighted_Contribution": 1.03478, "Placenta_Crossing_Top_Rank": -0.0639247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)O", "InChI_key": "YJEJKUQEXFSVCJ-WRFMNRASSA-N" } }, "CID:46220502": { "type": "Drug", "properties": { "id": "CID:46220502", "label": "abemaciclib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46220502", "FDA_Category_D_L1000_Similarity": -0.506975, "FDA_Category_D_Structural_Similarity": 2.21402, "FDA_Category_D_Weighted_Contribution": 1.8946, "FDA_Category_D_Top_Rank": 0.0839161, "FDA_Category_X_L1000_Similarity": -0.785459, "FDA_Category_X_Structural_Similarity": 0.214852, "FDA_Category_X_Weighted_Contribution": -0.286943, "FDA_Category_X_Top_Rank": -0.0728025, "FDA_Category_D_and_X_L1000_Similarity": -0.675551, "FDA_Category_D_and_X_Structural_Similarity": 1.87323, "FDA_Category_D_and_X_Weighted_Contribution": 1.38513, "FDA_Category_D_and_X_Top_Rank": 0.0220513, "Placenta_Crossing_L1000_Similarity": -0.346467, "Placenta_Crossing_Structural_Similarity": 1.27979, "Placenta_Crossing_Weighted_Contribution": 0.975723, "Placenta_Crossing_Top_Rank": -0.0341699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F", "InChI_key": "UZWDCWONPYILKI-UHFFFAOYSA-N" } }, "CID:462382": { "type": "Drug", "properties": { "id": "CID:462382", "label": "mg-132", "lsm": "LSM-1107", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/462382", "FDA_Category_D_L1000_Similarity": -3.00699, "FDA_Category_D_Structural_Similarity": -0.687986, "FDA_Category_D_Weighted_Contribution": -1.56589, "FDA_Category_D_Top_Rank": -0.0957535, "FDA_Category_X_L1000_Similarity": -2.57398, "FDA_Category_X_Structural_Similarity": -0.627129, "FDA_Category_X_Weighted_Contribution": -1.42568, "FDA_Category_X_Top_Rank": -0.0913436, "FDA_Category_D_and_X_L1000_Similarity": -3.37375, "FDA_Category_D_and_X_Structural_Similarity": -0.88446, "FDA_Category_D_and_X_Weighted_Contribution": -1.63574, "FDA_Category_D_and_X_Top_Rank": -0.0963275, "Placenta_Crossing_L1000_Similarity": -2.94712, "Placenta_Crossing_Structural_Similarity": -0.950277, "Placenta_Crossing_Weighted_Contribution": -1.5573, "Placenta_Crossing_Top_Rank": -0.0923189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1", "InChI_key": "TZYWCYJVHRLUCT-VABKMULXSA-N" } }, "CID:4624": { "type": "Drug", "properties": { "id": "CID:4624", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4624", "label": "Oxidopamine", "FDA_Category_D_L1000_Similarity": -0.798725, "FDA_Category_D_Structural_Similarity": -0.66194, "FDA_Category_D_Weighted_Contribution": -0.97507, "FDA_Category_D_Top_Rank": -0.0955539, "FDA_Category_X_L1000_Similarity": -1.03061, "FDA_Category_X_Structural_Similarity": -0.500381, "FDA_Category_X_Weighted_Contribution": -0.941082, "FDA_Category_X_Top_Rank": -0.0898328, "FDA_Category_D_and_X_L1000_Similarity": -1.00149, "FDA_Category_D_and_X_Structural_Similarity": -0.795394, "FDA_Category_D_and_X_Weighted_Contribution": -1.09948, "FDA_Category_D_and_X_Top_Rank": -0.0959298, "Placenta_Crossing_L1000_Similarity": -0.409929, "Placenta_Crossing_Structural_Similarity": -0.596333, "Placenta_Crossing_Weighted_Contribution": -0.772258, "Placenta_Crossing_Top_Rank": -0.0904853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4634": { "type": "Drug", "properties": { "id": "CID:4634", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4634", "label": "oxybutynin", "FDA_Category_D_L1000_Similarity": 1.29101, "FDA_Category_D_Structural_Similarity": 1.29183, "FDA_Category_D_Weighted_Contribution": 2.0305, "FDA_Category_D_Top_Rank": -0.0348514, "FDA_Category_X_L1000_Similarity": 1.88403, "FDA_Category_X_Structural_Similarity": 0.0547894, "FDA_Category_X_Weighted_Contribution": 0.928888, "FDA_Category_X_Top_Rank": -0.00838788, "FDA_Category_D_and_X_L1000_Similarity": 1.68501, "FDA_Category_D_and_X_Structural_Similarity": 1.05491, "FDA_Category_D_and_X_Weighted_Contribution": 1.91378, "FDA_Category_D_and_X_Top_Rank": 0.00653391, "Placenta_Crossing_L1000_Similarity": 1.10159, "Placenta_Crossing_Structural_Similarity": -0.621058, "Placenta_Crossing_Weighted_Contribution": -0.189966, "Placenta_Crossing_Top_Rank": -0.0665492, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O", "InChI_key": "XIQVNETUBQGFHX-UHFFFAOYSA-N" } }, "CID:46843648": { "type": "Drug", "properties": { "id": "CID:46843648", "label": "npk76-ii-72-1", "lsm": "LSM-1070", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46843648", "FDA_Category_D_L1000_Similarity": 1.9343, "FDA_Category_D_Structural_Similarity": -0.703941, "FDA_Category_D_Weighted_Contribution": 0.299776, "FDA_Category_D_Top_Rank": 0.147627, "FDA_Category_X_L1000_Similarity": 1.21413, "FDA_Category_X_Structural_Similarity": -0.0923509, "FDA_Category_X_Weighted_Contribution": 0.397925, "FDA_Category_X_Top_Rank": -0.063488, "FDA_Category_D_and_X_L1000_Similarity": 2.03609, "FDA_Category_D_and_X_Structural_Similarity": -0.60856, "FDA_Category_D_and_X_Weighted_Contribution": 0.373074, "FDA_Category_D_and_X_Top_Rank": 0.11363, "Placenta_Crossing_L1000_Similarity": 1.62913, "Placenta_Crossing_Structural_Similarity": -0.689933, "Placenta_Crossing_Weighted_Contribution": -0.00957483, "Placenta_Crossing_Top_Rank": -0.0255468, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C", "InChI_key": "KZLQLABUFJNPSZ-UHFFFAOYSA-N" } }, "CID:46869940": { "type": "Drug", "properties": { "id": "CID:46869940", "label": "vu-0415374-1", "lsm": "LSM-3868", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46869940", "FDA_Category_D_L1000_Similarity": 0.139048, "FDA_Category_D_Structural_Similarity": -0.550092, "FDA_Category_D_Weighted_Contribution": -0.51347, "FDA_Category_D_Top_Rank": -0.090859, "FDA_Category_X_L1000_Similarity": 1.73377, "FDA_Category_X_Structural_Similarity": -0.505214, "FDA_Category_X_Weighted_Contribution": 0.237525, "FDA_Category_X_Top_Rank": -0.0272147, "FDA_Category_D_and_X_L1000_Similarity": 0.646381, "FDA_Category_D_and_X_Structural_Similarity": -0.709227, "FDA_Category_D_and_X_Weighted_Contribution": -0.427274, "FDA_Category_D_and_X_Top_Rank": -0.0824998, "Placenta_Crossing_L1000_Similarity": 0.783991, "Placenta_Crossing_Structural_Similarity": -0.662006, "Placenta_Crossing_Weighted_Contribution": -0.363216, "Placenta_Crossing_Top_Rank": -0.0767704, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)NC(=O)C3=CC=CC=C3Cl", "InChI_key": "RZZCVJKQCRSTKD-UHFFFAOYSA-N" } }, "CID:46883536": { "type": "Drug", "properties": { "id": "CID:46883536", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46883536", "label": "avagacestat", "FDA_Category_D_L1000_Similarity": 0.106361, "FDA_Category_D_Structural_Similarity": -0.601771, "FDA_Category_D_Weighted_Contribution": -0.56875, "FDA_Category_D_Top_Rank": -0.0912278, "FDA_Category_X_L1000_Similarity": 0.0678203, "FDA_Category_X_Structural_Similarity": 0.0113646, "FDA_Category_X_Weighted_Contribution": -0.0789529, "FDA_Category_X_Top_Rank": -0.0795223, "FDA_Category_D_and_X_L1000_Similarity": 0.112284, "FDA_Category_D_and_X_Structural_Similarity": -0.471501, "FDA_Category_D_and_X_Weighted_Contribution": -0.476245, "FDA_Category_D_and_X_Top_Rank": -0.0911822, "Placenta_Crossing_L1000_Similarity": 1.22801, "Placenta_Crossing_Structural_Similarity": -0.306205, "Placenta_Crossing_Weighted_Contribution": 0.161894, "Placenta_Crossing_Top_Rank": -0.0604605, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl", "InChI_key": "XEAOPVUAMONVLA-QGZVFWFLSA-N" } }, "CID:46931004": { "type": "Drug", "properties": { "id": "CID:46931004", "label": "danoprevir", "lsm": "LSM-5352", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46931004", "FDA_Category_D_L1000_Similarity": 0.530833, "FDA_Category_D_Structural_Similarity": 0.981825, "FDA_Category_D_Weighted_Contribution": 1.22025, "FDA_Category_D_Top_Rank": -0.0513986, "FDA_Category_X_L1000_Similarity": 3.04477, "FDA_Category_X_Structural_Similarity": 1.11403, "FDA_Category_X_Weighted_Contribution": 2.70982, "FDA_Category_X_Top_Rank": 0.579437, "FDA_Category_D_and_X_L1000_Similarity": 1.38222, "FDA_Category_D_and_X_Structural_Similarity": 1.38041, "FDA_Category_D_and_X_Weighted_Contribution": 2.07029, "FDA_Category_D_and_X_Top_Rank": -0.0246027, "Placenta_Crossing_L1000_Similarity": 1.5946, "Placenta_Crossing_Structural_Similarity": 0.3121, "Placenta_Crossing_Weighted_Contribution": 0.994051, "Placenta_Crossing_Top_Rank": -0.0294358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46940575": { "type": "Drug", "properties": { "id": "CID:46940575", "label": "gdc-0152", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46940575", "FDA_Category_D_L1000_Similarity": 0.920648, "FDA_Category_D_Structural_Similarity": -0.303152, "FDA_Category_D_Weighted_Contribution": 0.108995, "FDA_Category_D_Top_Rank": -0.0702429, "FDA_Category_X_L1000_Similarity": -0.00293491, "FDA_Category_X_Structural_Similarity": -0.748779, "FDA_Category_X_Weighted_Contribution": -0.755577, "FDA_Category_X_Top_Rank": -0.0876133, "FDA_Category_D_and_X_L1000_Similarity": 0.792719, "FDA_Category_D_and_X_Structural_Similarity": -0.644654, "FDA_Category_D_and_X_Weighted_Contribution": -0.306807, "FDA_Category_D_and_X_Top_Rank": -0.0780242, "Placenta_Crossing_L1000_Similarity": 0.964474, "Placenta_Crossing_Structural_Similarity": -0.292068, "Placenta_Crossing_Weighted_Contribution": 0.0473545, "Placenta_Crossing_Top_Rank": -0.0716391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC", "InChI_key": "WZRFLSDVFPIXOV-LRQRDZAKSA-N" } }, "CID:46943258": { "type": "Drug", "properties": { "id": "CID:46943258", "label": "vu-0424206-1", "lsm": "LSM-2295", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46943258", "FDA_Category_D_L1000_Similarity": 0.373653, "FDA_Category_D_Structural_Similarity": -0.652781, "FDA_Category_D_Weighted_Contribution": -0.485882, "FDA_Category_D_Top_Rank": -0.0876284, "FDA_Category_X_L1000_Similarity": -0.375174, "FDA_Category_X_Structural_Similarity": -0.438464, "FDA_Category_X_Weighted_Contribution": -0.661998, "FDA_Category_X_Top_Rank": -0.0888503, "FDA_Category_D_and_X_L1000_Similarity": 0.208159, "FDA_Category_D_and_X_Structural_Similarity": -0.754714, "FDA_Category_D_and_X_Weighted_Contribution": -0.6494, "FDA_Category_D_and_X_Top_Rank": -0.0900993, "Placenta_Crossing_L1000_Similarity": 0.770958, "Placenta_Crossing_Structural_Similarity": -0.762426, "Placenta_Crossing_Weighted_Contribution": -0.450624, "Placenta_Crossing_Top_Rank": -0.0771497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CN(C1)CC2CC2)NC(=O)COC3=CC(=C(C=C3)F)Cl", "InChI_key": "ZQAJGHDZHLXNEF-ZDUSSCGKSA-N" } }, "CID:47472": { "type": "Drug", "properties": { "id": "CID:47472", "label": "butoconazole", "lsm": "LSM-1344", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/47472", "FDA_Category_D_L1000_Similarity": 1.4529, "FDA_Category_D_Structural_Similarity": 0.624511, "FDA_Category_D_Weighted_Contribution": 1.42, "FDA_Category_D_Top_Rank": -0.0178067, "FDA_Category_X_L1000_Similarity": 1.50007, "FDA_Category_X_Structural_Similarity": -0.628477, "FDA_Category_X_Weighted_Contribution": -0.00442945, "FDA_Category_X_Top_Rank": -0.0470768, "FDA_Category_D_and_X_L1000_Similarity": 1.70797, "FDA_Category_D_and_X_Structural_Similarity": 0.156559, "FDA_Category_D_and_X_Weighted_Contribution": 0.977949, "FDA_Category_D_and_X_Top_Rank": 0.0129536, "Placenta_Crossing_L1000_Similarity": 1.32694, "Placenta_Crossing_Structural_Similarity": -0.0131015, "Placenta_Crossing_Weighted_Contribution": 0.506207, "Placenta_Crossing_Top_Rank": -0.0539062, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl", "InChI_key": "SWLMUYACZKCSHZ-UHFFFAOYSA-N" } }, "CID:4788": { "type": "Drug", "properties": { "id": "CID:4788", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4788", "label": "3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one", "FDA_Category_D_L1000_Similarity": 0.571513, "FDA_Category_D_Structural_Similarity": -0.869989, "FDA_Category_D_Weighted_Contribution": -0.565536, "FDA_Category_D_Top_Rank": -0.0834255, "FDA_Category_X_L1000_Similarity": -1.00669, "FDA_Category_X_Structural_Similarity": -0.676119, "FDA_Category_X_Weighted_Contribution": -1.04531, "FDA_Category_X_Top_Rank": -0.0912799, "FDA_Category_D_and_X_L1000_Similarity": 0.186942, "FDA_Category_D_and_X_Structural_Similarity": -1.05535, "FDA_Category_D_and_X_Weighted_Contribution": -0.862093, "FDA_Category_D_and_X_Top_Rank": -0.0903679, "Placenta_Crossing_L1000_Similarity": 0.424975, "Placenta_Crossing_Structural_Similarity": -0.984124, "Placenta_Crossing_Weighted_Contribution": -0.747653, "Placenta_Crossing_Top_Rank": -0.0841177, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O", "InChI_key": "VGEREEWJJVICBM-UHFFFAOYSA-N" } }, "CID:4830": { "type": "Drug", "properties": { "id": "CID:4830", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4830", "label": "pipamperone", "ref": "LSM-2586", "FDA_Category_D_L1000_Similarity": 1.05157, "FDA_Category_D_Structural_Similarity": -0.869777, "FDA_Category_D_Weighted_Contribution": -0.337469, "FDA_Category_D_Top_Rank": -0.0623188, "FDA_Category_X_L1000_Similarity": 0.0217818, "FDA_Category_X_Structural_Similarity": -0.662298, "FDA_Category_X_Weighted_Contribution": -0.681369, "FDA_Category_X_Top_Rank": -0.0874589, "FDA_Category_D_and_X_L1000_Similarity": 0.91309, "FDA_Category_D_and_X_Structural_Similarity": -1.04773, "FDA_Category_D_and_X_Weighted_Contribution": -0.574092, "FDA_Category_D_and_X_Top_Rank": -0.0734612, "Placenta_Crossing_L1000_Similarity": 0.921431, "Placenta_Crossing_Structural_Similarity": -0.899263, "Placenta_Crossing_Weighted_Contribution": -0.498663, "Placenta_Crossing_Top_Rank": -0.0730823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N", "InChI_key": "AXKPFOAXAHJUAG-UHFFFAOYSA-N" } }, "CID:483407": { "type": "Drug", "properties": { "id": "CID:483407", "label": "maraviroc", "lsm": "LSM-6182", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/483407", "IDG_ID": "1635", "FDA_Category_D_L1000_Similarity": 0.727576, "FDA_Category_D_Structural_Similarity": -0.446329, "FDA_Category_D_Weighted_Contribution": -0.131896, "FDA_Category_D_Top_Rank": -0.0787582, "FDA_Category_X_L1000_Similarity": 1.87546, "FDA_Category_X_Structural_Similarity": -0.54988, "FDA_Category_X_Weighted_Contribution": 0.264728, "FDA_Category_X_Top_Rank": -0.00970085, "FDA_Category_D_and_X_L1000_Similarity": 1.19673, "FDA_Category_D_and_X_Structural_Similarity": -0.650971, "FDA_Category_D_and_X_Weighted_Contribution": -0.115521, "FDA_Category_D_and_X_Top_Rank": -0.0549137, "Placenta_Crossing_L1000_Similarity": 1.94114, "Placenta_Crossing_Structural_Similarity": -0.160328, "Placenta_Crossing_Weighted_Contribution": 0.677634, "Placenta_Crossing_Top_Rank": 0.0296828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C", "InChI_key": "GSNHKUDZZFZSJB-ILVMPNSOSA-N" } }, "CID:4891": { "type": "Drug", "properties": { "id": "CID:4891", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4891", "label": "praziquantel", "FDA_Category_D_L1000_Similarity": 2.40827, "FDA_Category_D_Structural_Similarity": -0.514137, "FDA_Category_D_Weighted_Contribution": 0.788589, "FDA_Category_D_Top_Rank": 0.662517, "FDA_Category_X_L1000_Similarity": 0.538763, "FDA_Category_X_Structural_Similarity": 1.1394, "FDA_Category_X_Weighted_Contribution": 1.39715, "FDA_Category_X_Top_Rank": -0.0336003, "FDA_Category_D_and_X_L1000_Similarity": 2.23959, "FDA_Category_D_and_X_Structural_Similarity": 0.206738, "FDA_Category_D_and_X_Weighted_Contribution": 1.35056, "FDA_Category_D_and_X_Top_Rank": 0.244947, "Placenta_Crossing_L1000_Similarity": 2.24369, "Placenta_Crossing_Structural_Similarity": -0.39023, "Placenta_Crossing_Weighted_Contribution": 0.597493, "Placenta_Crossing_Top_Rank": 0.130145, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2", "InChI_key": "FSVJFNAIGNNGKK-UHFFFAOYSA-N" } }, "CID:4976": { "type": "Drug", "properties": { "id": "CID:4976", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4976", "label": "protriptyline", "FDA_Category_D_L1000_Similarity": -2.13598, "FDA_Category_D_Structural_Similarity": -0.154275, "FDA_Category_D_Weighted_Contribution": -1.13226, "FDA_Category_D_Top_Rank": -0.0886197, "FDA_Category_X_L1000_Similarity": 0.363531, "FDA_Category_X_Structural_Similarity": -0.449702, "FDA_Category_X_Weighted_Contribution": -0.366517, "FDA_Category_X_Top_Rank": -0.0842209, "FDA_Category_D_and_X_L1000_Similarity": -1.73085, "FDA_Category_D_and_X_Structural_Similarity": -0.365107, "FDA_Category_D_and_X_Weighted_Contribution": -1.08802, "FDA_Category_D_and_X_Top_Rank": -0.0925557, "Placenta_Crossing_L1000_Similarity": -1.52141, "Placenta_Crossing_Structural_Similarity": 0.712023, "Placenta_Crossing_Weighted_Contribution": -0.187834, "Placenta_Crossing_Top_Rank": -0.0626791, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13", "InChI_key": "BWPIARFWQZKAIA-UHFFFAOYSA-N" } }, "CID:49836020": { "type": "Drug", "properties": { "id": "CID:49836020", "label": "birinapant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49836020", "FDA_Category_D_L1000_Similarity": 0.906793, "FDA_Category_X_L1000_Similarity": 1.83837, "FDA_Category_D_and_X_L1000_Similarity": 1.33995, "Placenta_Crossing_L1000_Similarity": 0.861452, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC", "InChI_key": "PKWRMUKBEYJEIX-DXXQBUJASA-N" } }, "CID:49848070": { "type": "Drug", "properties": { "id": "CID:49848070", "label": "taladegib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49848070", "FDA_Category_D_L1000_Similarity": 0.45974, "FDA_Category_D_Structural_Similarity": -0.815307, "FDA_Category_D_Weighted_Contribution": -0.573833, "FDA_Category_D_Top_Rank": -0.0860361, "FDA_Category_X_L1000_Similarity": -0.413942, "FDA_Category_X_Structural_Similarity": -0.585372, "FDA_Category_X_Weighted_Contribution": -0.786434, "FDA_Category_X_Top_Rank": -0.0897316, "FDA_Category_D_and_X_L1000_Similarity": 0.270593, "FDA_Category_D_and_X_Structural_Similarity": -0.962984, "FDA_Category_D_and_X_Weighted_Contribution": -0.770611, "FDA_Category_D_and_X_Top_Rank": -0.0893655, "Placenta_Crossing_L1000_Similarity": 1.36471, "Placenta_Crossing_Structural_Similarity": 0.0252397, "Placenta_Crossing_Weighted_Contribution": 0.565776, "Placenta_Crossing_Top_Rank": -0.0512819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F", "InChI_key": "SZBGQDXLNMELTB-UHFFFAOYSA-N" } }, "CID:5052": { "type": "Drug", "properties": { "id": "CID:5052", "label": "mepireserpate", "lsm": "LSM-1758", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5052", "FDA_Category_D_L1000_Similarity": -0.13915, "FDA_Category_X_L1000_Similarity": -0.323857, "FDA_Category_D_and_X_L1000_Similarity": -0.218297, "Placenta_Crossing_L1000_Similarity": -1.14549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC", "InChI_key": "QEVHRUUCFGRFIF-UHFFFAOYSA-N" } }, "CID:51358113": { "type": "Drug", "properties": { "id": "CID:51358113", "label": "torin-2", "lsm": "LSM-1080", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51358113", "FDA_Category_D_L1000_Similarity": -2.73828, "FDA_Category_D_Structural_Similarity": -0.248602, "FDA_Category_D_Weighted_Contribution": -1.34702, "FDA_Category_D_Top_Rank": -0.0904469, "FDA_Category_X_L1000_Similarity": -1.76698, "FDA_Category_X_Structural_Similarity": -0.549571, "FDA_Category_X_Weighted_Contribution": -1.1923, "FDA_Category_X_Top_Rank": -0.0904782, "FDA_Category_D_and_X_L1000_Similarity": -2.89705, "FDA_Category_D_and_X_Structural_Similarity": -0.493865, "FDA_Category_D_and_X_Weighted_Contribution": -1.43667, "FDA_Category_D_and_X_Top_Rank": -0.0939521, "Placenta_Crossing_L1000_Similarity": -2.85983, "Placenta_Crossing_Structural_Similarity": -0.332268, "Placenta_Crossing_Weighted_Contribution": -1.31483, "Placenta_Crossing_Top_Rank": -0.087917, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F", "InChI_key": "GUXXEUUYCAYESJ-UHFFFAOYSA-N" } }, "CID:5153532": { "type": "Drug", "properties": { "id": "CID:5153532", "label": "BG-1021", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5153532", "FDA_Category_D_L1000_Similarity": -0.0545492, "FDA_Category_D_Structural_Similarity": -0.454931, "FDA_Category_D_Weighted_Contribution": -0.527815, "FDA_Category_D_Top_Rank": -0.0926624, "FDA_Category_X_L1000_Similarity": 0.77757, "FDA_Category_X_Structural_Similarity": 1.23686, "FDA_Category_X_Weighted_Contribution": 1.64361, "FDA_Category_X_Top_Rank": -0.0257054, "FDA_Category_D_and_X_L1000_Similarity": 0.189107, "FDA_Category_D_and_X_Structural_Similarity": 0.306319, "FDA_Category_D_and_X_Weighted_Contribution": 0.253527, "FDA_Category_D_and_X_Top_Rank": -0.0792476, "Placenta_Crossing_L1000_Similarity": -0.125321, "Placenta_Crossing_Structural_Similarity": -0.108121, "Placenta_Crossing_Weighted_Contribution": -0.285151, "Placenta_Crossing_Top_Rank": -0.0843343, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51755": { "type": "Drug", "properties": { "id": "CID:51755", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID51755", "label": "fenticonazole", "FDA_Category_D_L1000_Similarity": -1.13958, "FDA_Category_D_Structural_Similarity": -0.521914, "FDA_Category_D_Weighted_Contribution": -1.01077, "FDA_Category_D_Top_Rank": -0.0943351, "FDA_Category_X_L1000_Similarity": 1.61291, "FDA_Category_X_Structural_Similarity": -0.658746, "FDA_Category_X_Weighted_Contribution": 0.021302, "FDA_Category_X_Top_Rank": -0.0384751, "FDA_Category_D_and_X_L1000_Similarity": -0.492525, "FDA_Category_D_and_X_Structural_Similarity": -0.769707, "FDA_Category_D_and_X_Weighted_Contribution": -0.921643, "FDA_Category_D_and_X_Top_Rank": -0.0950438, "Placenta_Crossing_L1000_Similarity": 0.473356, "Placenta_Crossing_Structural_Similarity": -0.970094, "Placenta_Crossing_Weighted_Contribution": -0.720717, "Placenta_Crossing_Top_Rank": -0.0833763, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)SC2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl", "InChI_key": "ZCJYUTQZBAIHBS-UHFFFAOYSA-N" } }, "CID:5281750": { "type": "Drug", "properties": { "id": "CID:5281750", "label": "seneciphylline", "lsm": "LSM-2853", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281750", "FDA_Category_D_L1000_Similarity": 2.31121, "FDA_Category_D_Structural_Similarity": -0.331003, "FDA_Category_D_Weighted_Contribution": 0.925139, "FDA_Category_D_Top_Rank": 0.495031, "FDA_Category_X_L1000_Similarity": 1.35211, "FDA_Category_X_Structural_Similarity": -0.643056, "FDA_Category_X_Weighted_Contribution": -0.0902202, "FDA_Category_X_Top_Rank": -0.0560495, "FDA_Category_D_and_X_L1000_Similarity": 2.40291, "FDA_Category_D_and_X_Structural_Similarity": -0.609712, "FDA_Category_D_and_X_Weighted_Contribution": 0.581386, "FDA_Category_D_and_X_Top_Rank": 0.367599, "Placenta_Crossing_L1000_Similarity": 2.08222, "Placenta_Crossing_Structural_Similarity": -0.729033, "Placenta_Crossing_Weighted_Contribution": 0.172116, "Placenta_Crossing_Top_Rank": 0.0687966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O", "InChI_key": "FCEVNJIUIMLVML-QPSVUOIXSA-N" } }, "CID:5281792": { "type": "Drug", "properties": { "id": "CID:5281792", "label": "rosmarinic-acid", "lsm": "LSM-2455", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281792", "FDA_Category_D_L1000_Similarity": 0.466127, "FDA_Category_D_Structural_Similarity": -0.909155, "FDA_Category_D_Weighted_Contribution": -0.641982, "FDA_Category_D_Top_Rank": -0.0859028, "FDA_Category_X_L1000_Similarity": 1.82512, "FDA_Category_X_Structural_Similarity": -0.704677, "FDA_Category_X_Weighted_Contribution": 0.0811219, "FDA_Category_X_Top_Rank": -0.0154774, "FDA_Category_D_and_X_L1000_Similarity": 0.956061, "FDA_Category_D_and_X_Structural_Similarity": -1.10185, "FDA_Category_D_and_X_Weighted_Contribution": -0.596531, "FDA_Category_D_and_X_Top_Rank": -0.0714598, "Placenta_Crossing_L1000_Similarity": 1.675, "Placenta_Crossing_Structural_Similarity": -1.0339, "Placenta_Crossing_Weighted_Contribution": -0.295792, "Placenta_Crossing_Top_Rank": -0.0188139, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O", "InChI_key": "DOUMFZQKYFQNTF-WUTVXBCWSA-N" } }, "CID:5282136": { "type": "Drug", "properties": { "id": "CID:5282136", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282136", "label": "lafutidine", "FDA_Category_D_L1000_Similarity": 0.0389455, "FDA_Category_D_Structural_Similarity": 0.948272, "FDA_Category_D_Weighted_Contribution": 0.86949, "FDA_Category_D_Top_Rank": -0.0529799, "FDA_Category_X_L1000_Similarity": -0.309697, "FDA_Category_X_Structural_Similarity": -0.356523, "FDA_Category_X_Weighted_Contribution": -0.571471, "FDA_Category_X_Top_Rank": -0.0874833, "FDA_Category_D_and_X_L1000_Similarity": -0.060478, "FDA_Category_D_and_X_Structural_Similarity": 0.560278, "FDA_Category_D_and_X_Weighted_Contribution": 0.366628, "FDA_Category_D_and_X_Top_Rank": -0.0721064, "Placenta_Crossing_L1000_Similarity": 1.29721, "Placenta_Crossing_Structural_Similarity": -0.282002, "Placenta_Crossing_Weighted_Contribution": 0.219824, "Placenta_Crossing_Top_Rank": -0.055757, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3", "InChI_key": "KMZQAVXSMUKBPD-DJWKRKHSSA-N" } }, "CID:5282379": { "type": "Drug", "properties": { "id": "CID:5282379", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282379", "label": "isotretinoin", "FDA_Category_D_L1000_Similarity": 0.704368, "FDA_Category_D_Structural_Similarity": -0.381134, "FDA_Category_D_Weighted_Contribution": -0.0846359, "FDA_Category_D_Top_Rank": -0.0794322, "FDA_Category_X_L1000_Similarity": 2.18401, "FDA_Category_X_Structural_Similarity": 1.71707, "FDA_Category_X_Weighted_Contribution": 2.86908, "FDA_Category_X_Top_Rank": 0.0469368, "FDA_Category_D_and_X_L1000_Similarity": 1.27042, "FDA_Category_D_and_X_Structural_Similarity": 0.624012, "FDA_Category_D_and_X_Weighted_Contribution": 1.21569, "FDA_Category_D_and_X_Top_Rank": -0.0495311, "Placenta_Crossing_L1000_Similarity": 1.58925, "Placenta_Crossing_Structural_Similarity": 0.69286, "Placenta_Crossing_Weighted_Contribution": 1.40234, "Placenta_Crossing_Top_Rank": -0.0300008, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C", "InChI_key": "SHGAZHPCJJPHSC-XFYACQKRSA-N" } }, "CID:5287620": { "type": "Drug", "properties": { "id": "CID:5287620", "label": "brefeldin a", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5287620", "FDA_Category_D_L1000_Similarity": -0.900428, "FDA_Category_D_Structural_Similarity": -0.594375, "FDA_Category_D_Weighted_Contribution": -0.970198, "FDA_Category_D_Top_Rank": -0.0949945, "FDA_Category_X_L1000_Similarity": -1.75507, "FDA_Category_X_Structural_Similarity": -0.286151, "FDA_Category_X_Weighted_Contribution": -1.03578, "FDA_Category_X_Top_Rank": -0.0862364, "FDA_Category_D_and_X_L1000_Similarity": -1.30917, "FDA_Category_D_and_X_Structural_Similarity": -0.626169, "FDA_Category_D_and_X_Weighted_Contribution": -1.10121, "FDA_Category_D_and_X_Top_Rank": -0.0949855, "Placenta_Crossing_L1000_Similarity": -1.16655, "Placenta_Crossing_Structural_Similarity": -0.588896, "Placenta_Crossing_Weighted_Contribution": -1.0101, "Placenta_Crossing_Top_Rank": -0.0904591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O", "InChI_key": "KQNZDYYTLMIZCT-KQPMLPITSA-N" } }, "CID:5288674": { "type": "Drug", "properties": { "id": "CID:5288674", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5288674", "label": "alvespimycin", "FDA_Category_D_L1000_Similarity": -2.51534, "FDA_Category_D_Structural_Similarity": 0.682745, "FDA_Category_D_Weighted_Contribution": -0.753196, "FDA_Category_D_Top_Rank": -0.0647724, "FDA_Category_X_L1000_Similarity": -1.84348, "FDA_Category_X_Structural_Similarity": 1.03503, "FDA_Category_X_Weighted_Contribution": -0.013841, "FDA_Category_X_Top_Rank": -0.039121, "FDA_Category_D_and_X_L1000_Similarity": -2.7281, "FDA_Category_D_and_X_Structural_Similarity": 1.1004, "FDA_Category_D_and_X_Weighted_Contribution": -0.492156, "FDA_Category_D_and_X_Top_Rank": -0.0462495, "Placenta_Crossing_L1000_Similarity": -1.86061, "Placenta_Crossing_Structural_Similarity": 2.13253, "Placenta_Crossing_Weighted_Contribution": 1.06692, "Placenta_Crossing_Top_Rank": 0.0460679, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC", "InChI_key": "KUFRQPKVAWMTJO-LMZWQJSESA-N" } }, "CID:52914946": { "type": "Drug", "properties": { "id": "CID:52914946", "label": "gsk-2126458", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/52914946", "FDA_Category_D_L1000_Similarity": -3.1691, "FDA_Category_D_Structural_Similarity": 0.124306, "FDA_Category_D_Weighted_Contribution": -1.29372, "FDA_Category_D_Top_Rank": -0.0819107, "FDA_Category_X_L1000_Similarity": -2.18861, "FDA_Category_X_Structural_Similarity": 0.111455, "FDA_Category_X_Weighted_Contribution": -0.919588, "FDA_Category_X_Top_Rank": -0.0767594, "FDA_Category_D_and_X_L1000_Similarity": -3.39646, "FDA_Category_D_and_X_Structural_Similarity": 0.158804, "FDA_Category_D_and_X_Weighted_Contribution": -1.28777, "FDA_Category_D_and_X_Top_Rank": -0.0826167, "Placenta_Crossing_L1000_Similarity": -3.29713, "Placenta_Crossing_Structural_Similarity": 1.06647, "Placenta_Crossing_Weighted_Contribution": -0.631508, "Placenta_Crossing_Top_Rank": -0.047195, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=NC=CC(=C1NS(=O)(=O)C2=C(C=C(C=C2)F)F)C3=CC4=C(C=CN=C4C=C3)C5=CN=NC=C5", "InChI_key": "NPPBBAURRJGWEH-UHFFFAOYSA-N" } }, "CID:5310966": { "type": "Drug", "properties": { "id": "CID:5310966", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5310966", "label": "varenicline", "FDA_Category_D_L1000_Similarity": 2.83977, "FDA_Category_D_Structural_Similarity": -0.837225, "FDA_Category_D_Weighted_Contribution": 0.71309, "FDA_Category_D_Top_Rank": 2.19381, "FDA_Category_X_L1000_Similarity": 0.588668, "FDA_Category_X_Structural_Similarity": 1.36212, "FDA_Category_X_Weighted_Contribution": 1.67829, "FDA_Category_X_Top_Rank": -0.0174384, "FDA_Category_D_and_X_L1000_Similarity": 2.6267, "FDA_Category_D_and_X_Structural_Similarity": 0.07048, "FDA_Category_D_and_X_Weighted_Contribution": 1.43672, "FDA_Category_D_and_X_Top_Rank": 0.717219, "Placenta_Crossing_L1000_Similarity": 1.68631, "Placenta_Crossing_Structural_Similarity": 0.559618, "Placenta_Crossing_Weighted_Contribution": 1.3117, "Placenta_Crossing_Top_Rank": -0.017145, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CNCC1C3=CC4=NC=CN=C4C=C23", "InChI_key": "JQSHBVHOMNKWFT-DTORHVGOSA-N" } }, "CID:5328940": { "type": "Drug", "properties": { "id": "CID:5328940", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5328940", "label": "bosutinib", "FDA_Category_D_L1000_Similarity": -0.430011, "FDA_Category_D_Structural_Similarity": 0.217048, "FDA_Category_D_Weighted_Contribution": -0.145046, "FDA_Category_D_Top_Rank": -0.079442, "FDA_Category_X_L1000_Similarity": 0.409079, "FDA_Category_X_Structural_Similarity": -0.104533, "FDA_Category_X_Weighted_Contribution": -0.0259042, "FDA_Category_X_Top_Rank": -0.0824201, "FDA_Category_D_and_X_L1000_Similarity": -0.246444, "FDA_Category_D_and_X_Structural_Similarity": 0.115868, "FDA_Category_D_and_X_Weighted_Contribution": -0.153083, "FDA_Category_D_and_X_Top_Rank": -0.0836515, "Placenta_Crossing_L1000_Similarity": -1.2061, "Placenta_Crossing_Structural_Similarity": 0.109055, "Placenta_Crossing_Weighted_Contribution": -0.55376, "Placenta_Crossing_Top_Rank": -0.0797696, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC", "InChI_key": "UBPYILGKFZZVDX-UHFFFAOYSA-N" } }, "CID:53340666": { "type": "Drug", "properties": { "id": "CID:53340666", "label": "ricolinostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53340666", "FDA_Category_D_L1000_Similarity": -0.0656041, "FDA_Category_D_Structural_Similarity": 0.0595687, "FDA_Category_D_Weighted_Contribution": -0.0940118, "FDA_Category_D_Top_Rank": -0.0837055, "FDA_Category_X_L1000_Similarity": 0.457405, "FDA_Category_X_Structural_Similarity": -0.59153, "FDA_Category_X_Weighted_Contribution": -0.448306, "FDA_Category_X_Top_Rank": -0.0830528, "FDA_Category_D_and_X_L1000_Similarity": 0.0823668, "FDA_Category_D_and_X_Structural_Similarity": -0.271906, "FDA_Category_D_and_X_Weighted_Contribution": -0.328126, "FDA_Category_D_and_X_Top_Rank": -0.0912963, "Placenta_Crossing_L1000_Similarity": -0.257408, "Placenta_Crossing_Structural_Similarity": -0.368713, "Placenta_Crossing_Weighted_Contribution": -0.551068, "Placenta_Crossing_Top_Rank": -0.0883485, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO", "InChI_key": "QGZYDVAGYRLSKP-UHFFFAOYSA-N" } }, "CID:5340": { "type": "Drug", "properties": { "id": "CID:5340", "label": "sulfathiazole", "lsm": "LSM-5327", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5340", "FDA_Category_D_L1000_Similarity": 0.959017, "FDA_Category_D_Structural_Similarity": -0.121039, "FDA_Category_D_Weighted_Contribution": 0.311685, "FDA_Category_D_Top_Rank": -0.0678157, "FDA_Category_X_L1000_Similarity": -0.598132, "FDA_Category_X_Structural_Similarity": 0.00378477, "FDA_Category_X_Weighted_Contribution": -0.390695, "FDA_Category_X_Top_Rank": -0.0796593, "FDA_Category_D_and_X_L1000_Similarity": 0.645046, "FDA_Category_D_and_X_Structural_Similarity": -0.0940277, "FDA_Category_D_and_X_Weighted_Contribution": 0.113539, "FDA_Category_D_and_X_Top_Rank": -0.0825365, "Placenta_Crossing_L1000_Similarity": 0.754152, "Placenta_Crossing_Structural_Similarity": 1.78687, "Placenta_Crossing_Weighted_Contribution": 2.10346, "Placenta_Crossing_Top_Rank": 0.00975327, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2", "InChI_key": "JNMRHUJNCSQMMB-UHFFFAOYSA-N" } }, "CID:53465279": { "type": "Drug", "properties": { "id": "CID:53465279", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53465279", "label": "lesinurad", "FDA_Category_D_L1000_Similarity": 0.815006, "FDA_Category_D_Structural_Similarity": 1.98777, "FDA_Category_D_Weighted_Contribution": 2.44342, "FDA_Category_D_Top_Rank": 0.0456343, "FDA_Category_X_L1000_Similarity": 2.79086, "FDA_Category_X_Structural_Similarity": 0.344698, "FDA_Category_X_Weighted_Contribution": 1.77327, "FDA_Category_X_Top_Rank": 0.346234, "FDA_Category_D_and_X_L1000_Similarity": 1.55007, "FDA_Category_D_and_X_Structural_Similarity": 1.76371, "FDA_Category_D_and_X_Weighted_Contribution": 2.52032, "FDA_Category_D_and_X_Top_Rank": 0.0113361, "Placenta_Crossing_L1000_Similarity": 1.78004, "Placenta_Crossing_Structural_Similarity": -0.188371, "Placenta_Crossing_Weighted_Contribution": 0.562746, "Placenta_Crossing_Top_Rank": -0.00382737, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O", "InChI_key": "FGQFOYHRJSUHMR-UHFFFAOYSA-N" } }, "CID:5361202": { "type": "Drug", "properties": { "id": "CID:5361202", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5361202", "label": "Cefuroxime", "FDA_Category_D_L1000_Similarity": 1.47461, "FDA_Category_D_Structural_Similarity": 0.308659, "FDA_Category_D_Weighted_Contribution": 1.08837, "FDA_Category_D_Top_Rank": -0.0147875, "FDA_Category_X_L1000_Similarity": 0.0301417, "FDA_Category_X_Structural_Similarity": 0.207974, "FDA_Category_X_Weighted_Contribution": 0.0955788, "FDA_Category_X_Top_Rank": -0.072988, "FDA_Category_D_and_X_L1000_Similarity": 1.28029, "FDA_Category_D_and_X_Structural_Similarity": 0.357208, "FDA_Category_D_and_X_Weighted_Contribution": 0.936281, "FDA_Category_D_and_X_Top_Rank": -0.0485147, "Placenta_Crossing_L1000_Similarity": 1.1276, "Placenta_Crossing_Structural_Similarity": 4.21521, "Placenta_Crossing_Weighted_Contribution": 3.86916, "Placenta_Crossing_Top_Rank": 0.595876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:5369129": { "type": "Drug", "properties": { "id": "CID:5369129", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5369129", "label": "kavain", "FDA_Category_D_L1000_Similarity": 1.39985, "FDA_Category_D_Structural_Similarity": 1.02921, "FDA_Category_D_Weighted_Contribution": 1.82268, "FDA_Category_D_Top_Rank": -0.0243612, "FDA_Category_X_L1000_Similarity": 1.43374, "FDA_Category_X_Structural_Similarity": -0.109791, "FDA_Category_X_Weighted_Contribution": 0.497083, "FDA_Category_X_Top_Rank": -0.0512239, "FDA_Category_D_and_X_L1000_Similarity": 1.64209, "FDA_Category_D_and_X_Structural_Similarity": 0.757658, "FDA_Category_D_and_X_Weighted_Contribution": 1.58017, "FDA_Category_D_and_X_Top_Rank": -0.00105668, "Placenta_Crossing_L1000_Similarity": 1.29632, "Placenta_Crossing_Structural_Similarity": 0.288295, "Placenta_Crossing_Weighted_Contribution": 0.806367, "Placenta_Crossing_Top_Rank": -0.0558239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2", "InChI_key": "XEAQIWGXBXCYFX-BQYQJAHWSA-N" } }, "CID:5436": { "type": "Drug", "properties": { "id": "CID:5436", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5436", "label": "thiamylal", "FDA_Category_D_L1000_Similarity": 0.742737, "FDA_Category_D_Structural_Similarity": 0.289635, "FDA_Category_D_Weighted_Contribution": 0.605624, "FDA_Category_D_Top_Rank": -0.0774502, "FDA_Category_X_L1000_Similarity": 0.97769, "FDA_Category_X_Structural_Similarity": -0.688348, "FDA_Category_X_Weighted_Contribution": -0.305714, "FDA_Category_X_Top_Rank": -0.072094, "FDA_Category_D_and_X_L1000_Similarity": 0.937152, "FDA_Category_D_and_X_Structural_Similarity": -0.141543, "FDA_Category_D_and_X_Weighted_Contribution": 0.225606, "FDA_Category_D_and_X_Top_Rank": -0.0724851, "Placenta_Crossing_L1000_Similarity": 0.937565, "Placenta_Crossing_Structural_Similarity": 1.69002, "Placenta_Crossing_Weighted_Contribution": 2.09966, "Placenta_Crossing_Top_Rank": -0.00248934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCCC(C)C1(C(=O)NC(=NC1=O)S)CC=C", "InChI_key": "XLOMZPUITCYLMJ-UHFFFAOYSA-N" } }, "CID:54615019": { "type": "Drug", "properties": { "id": "CID:54615019", "label": "SA-424827", "lsm": "LSM-14896", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54615019", "FDA_Category_D_L1000_Similarity": 0.0877134, "FDA_Category_X_L1000_Similarity": 1.59675, "FDA_Category_D_and_X_L1000_Similarity": 0.560518, "Placenta_Crossing_L1000_Similarity": 1.06534, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54618085": { "type": "Drug", "properties": { "id": "CID:54618085", "label": "SA-424068", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54618085", "FDA_Category_D_L1000_Similarity": 0.290993, "FDA_Category_D_Structural_Similarity": 0.0208192, "FDA_Category_D_Weighted_Contribution": 0.0658362, "FDA_Category_D_Top_Rank": -0.0846852, "FDA_Category_X_L1000_Similarity": 1.46828, "FDA_Category_X_Structural_Similarity": -0.0992748, "FDA_Category_X_Weighted_Contribution": 0.527187, "FDA_Category_X_Top_Rank": -0.0491397, "FDA_Category_D_and_X_L1000_Similarity": 0.696733, "FDA_Category_D_and_X_Structural_Similarity": -0.0370438, "FDA_Category_D_and_X_Weighted_Contribution": 0.196157, "FDA_Category_D_and_X_Top_Rank": -0.0813101, "Placenta_Crossing_L1000_Similarity": 1.17077, "Placenta_Crossing_Structural_Similarity": -0.0148226, "Placenta_Crossing_Weighted_Contribution": 0.42318, "Placenta_Crossing_Top_Rank": -0.0632562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654232": { "type": "Drug", "properties": { "id": "CID:54654232", "label": "SA-1463785", "lsm": "LSM-13468", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654232", "FDA_Category_D_L1000_Similarity": 0.211006, "FDA_Category_X_L1000_Similarity": 0.846546, "FDA_Category_D_and_X_L1000_Similarity": 0.438977, "Placenta_Crossing_L1000_Similarity": 1.42219, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657678": { "type": "Drug", "properties": { "id": "CID:54657678", "label": "SA-1456443", "lsm": "LSM-11583", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657678", "FDA_Category_D_L1000_Similarity": 0.190848, "FDA_Category_X_L1000_Similarity": 1.02461, "FDA_Category_D_and_X_L1000_Similarity": 0.475666, "Placenta_Crossing_L1000_Similarity": 0.443339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657716": { "type": "Drug", "properties": { "id": "CID:54657716", "label": "SA-1457472", "lsm": "LSM-14263", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657716", "FDA_Category_D_L1000_Similarity": 1.65634, "FDA_Category_X_L1000_Similarity": -1.36973, "FDA_Category_D_and_X_L1000_Similarity": 1.01183, "Placenta_Crossing_L1000_Similarity": 1.29039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657730": { "type": "Drug", "properties": { "id": "CID:54657730", "label": "SA-1458450", "lsm": "LSM-13619", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657730", "FDA_Category_D_L1000_Similarity": -0.227201, "FDA_Category_X_L1000_Similarity": 0.152146, "FDA_Category_D_and_X_L1000_Similarity": -0.149644, "Placenta_Crossing_L1000_Similarity": -0.185106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657758": { "type": "Drug", "properties": { "id": "CID:54657758", "label": "SA-1459020", "lsm": "LSM-9922", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657758", "FDA_Category_D_L1000_Similarity": 0.715602, "FDA_Category_X_L1000_Similarity": 1.34971, "FDA_Category_D_and_X_L1000_Similarity": 1.02674, "Placenta_Crossing_L1000_Similarity": 1.16205, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658205": { "type": "Drug", "properties": { "id": "CID:54658205", "label": "SA-1456102", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658205", "FDA_Category_D_L1000_Similarity": 0.0537311, "FDA_Category_X_L1000_Similarity": 0.103475, "FDA_Category_D_and_X_L1000_Similarity": 0.0777362, "Placenta_Crossing_L1000_Similarity": 1.08059, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658215": { "type": "Drug", "properties": { "id": "CID:54658215", "label": "SA-1457103", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658215", "FDA_Category_D_L1000_Similarity": 0.153171, "FDA_Category_X_L1000_Similarity": -0.0324987, "FDA_Category_D_and_X_L1000_Similarity": 0.122161, "Placenta_Crossing_L1000_Similarity": 1.00941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658632": { "type": "Drug", "properties": { "id": "CID:54658632", "label": "SA-1456977", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658632", "FDA_Category_D_L1000_Similarity": 0.659253, "FDA_Category_D_Structural_Similarity": -0.339943, "FDA_Category_D_Weighted_Contribution": -0.070987, "FDA_Category_D_Top_Rank": -0.0809174, "FDA_Category_X_L1000_Similarity": 0.0594332, "FDA_Category_X_Structural_Similarity": -0.287462, "FDA_Category_X_Weighted_Contribution": -0.357686, "FDA_Category_X_Top_Rank": -0.0862617, "FDA_Category_D_and_X_L1000_Similarity": 0.586334, "FDA_Category_D_and_X_Structural_Similarity": -0.424931, "FDA_Category_D_and_X_Weighted_Contribution": -0.217936, "FDA_Category_D_and_X_Top_Rank": -0.0838267, "Placenta_Crossing_L1000_Similarity": 1.65012, "Placenta_Crossing_Structural_Similarity": 0.134894, "Placenta_Crossing_Weighted_Contribution": 0.834182, "Placenta_Crossing_Top_Rank": -0.0225949, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658692": { "type": "Drug", "properties": { "id": "CID:54658692", "label": "SA-1458163", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658692", "FDA_Category_D_L1000_Similarity": -0.957069, "FDA_Category_X_L1000_Similarity": -0.69783, "FDA_Category_D_and_X_L1000_Similarity": -1.03693, "Placenta_Crossing_L1000_Similarity": -1.28508, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658741": { "type": "Drug", "properties": { "id": "CID:54658741", "label": "SA-1459187", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658741", "FDA_Category_D_L1000_Similarity": 0.877276, "FDA_Category_X_L1000_Similarity": -0.669945, "FDA_Category_D_and_X_L1000_Similarity": 0.552774, "Placenta_Crossing_L1000_Similarity": 0.556428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658965": { "type": "Drug", "properties": { "id": "CID:54658965", "label": "SA-1456352", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658965", "FDA_Category_D_L1000_Similarity": -0.00686769, "FDA_Category_D_Structural_Similarity": -0.5002, "FDA_Category_D_Weighted_Contribution": -0.541397, "FDA_Category_D_Top_Rank": -0.0922166, "FDA_Category_X_L1000_Similarity": -0.0336152, "FDA_Category_X_Structural_Similarity": -0.467289, "FDA_Category_X_Weighted_Contribution": -0.549291, "FDA_Category_X_Top_Rank": -0.0878072, "FDA_Category_D_and_X_L1000_Similarity": -0.016124, "FDA_Category_D_and_X_Structural_Similarity": -0.649163, "FDA_Category_D_and_X_Weighted_Contribution": -0.663936, "FDA_Category_D_and_X_Top_Rank": -0.0923317, "Placenta_Crossing_L1000_Similarity": 0.513782, "Placenta_Crossing_Structural_Similarity": -0.335422, "Placenta_Crossing_Weighted_Contribution": -0.201045, "Placenta_Crossing_Top_Rank": -0.082717, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666542": { "type": "Drug", "properties": { "id": "CID:54666542", "label": "SA-1922006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666542", "FDA_Category_D_L1000_Similarity": -1.19981, "FDA_Category_X_L1000_Similarity": -0.565097, "FDA_Category_D_and_X_L1000_Similarity": -1.20587, "Placenta_Crossing_L1000_Similarity": -1.27785, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666571": { "type": "Drug", "properties": { "id": "CID:54666571", "label": "SA-1921867", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666571", "FDA_Category_D_L1000_Similarity": -1.2217, "FDA_Category_X_L1000_Similarity": 0.0306772, "FDA_Category_D_and_X_L1000_Similarity": -1.0438, "Placenta_Crossing_L1000_Similarity": -0.40446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666592": { "type": "Drug", "properties": { "id": "CID:54666592", "label": "SA-1920683", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666592", "FDA_Category_D_L1000_Similarity": 0.35426, "FDA_Category_X_L1000_Similarity": 0.680255, "FDA_Category_D_and_X_L1000_Similarity": 0.511952, "Placenta_Crossing_L1000_Similarity": -0.0113194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54667998": { "type": "Drug", "properties": { "id": "CID:54667998", "label": "SA-1920080", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54667998", "FDA_Category_D_L1000_Similarity": 0.0367071, "FDA_Category_X_L1000_Similarity": 0.329964, "FDA_Category_D_and_X_L1000_Similarity": 0.131841, "Placenta_Crossing_L1000_Similarity": 0.181783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54668348": { "type": "Drug", "properties": { "id": "CID:54668348", "label": "SA-1922975", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54668348", "FDA_Category_D_L1000_Similarity": -0.27718, "FDA_Category_D_Structural_Similarity": -0.464541, "FDA_Category_D_Weighted_Contribution": -0.63502, "FDA_Category_D_Top_Rank": -0.0937132, "FDA_Category_X_L1000_Similarity": -0.926366, "FDA_Category_X_Structural_Similarity": -0.262031, "FDA_Category_X_Weighted_Contribution": -0.737332, "FDA_Category_X_Top_Rank": -0.0857641, "FDA_Category_D_and_X_L1000_Similarity": -0.520253, "FDA_Category_D_and_X_Structural_Similarity": -0.510104, "FDA_Category_D_and_X_Weighted_Contribution": -0.764138, "FDA_Category_D_and_X_Top_Rank": -0.0940854, "Placenta_Crossing_L1000_Similarity": 0.125717, "Placenta_Crossing_Structural_Similarity": 0.463662, "Placenta_Crossing_Weighted_Contribution": 0.370729, "Placenta_Crossing_Top_Rank": -0.0706006, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669029": { "type": "Drug", "properties": { "id": "CID:54669029", "label": "SA-1921574", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669029", "FDA_Category_D_L1000_Similarity": -0.836773, "FDA_Category_D_Structural_Similarity": -0.691661, "FDA_Category_D_Weighted_Contribution": -1.00628, "FDA_Category_D_Top_Rank": -0.0957809, "FDA_Category_X_L1000_Similarity": 1.04646, "FDA_Category_X_Structural_Similarity": -0.396725, "FDA_Category_X_Weighted_Contribution": 0.000235444, "FDA_Category_X_Top_Rank": -0.0700847, "FDA_Category_D_and_X_L1000_Similarity": -0.403524, "FDA_Category_D_and_X_Structural_Similarity": -0.763052, "FDA_Category_D_and_X_Weighted_Contribution": -0.886581, "FDA_Category_D_and_X_Top_Rank": -0.0946803, "Placenta_Crossing_L1000_Similarity": 0.553461, "Placenta_Crossing_Structural_Similarity": 0.733294, "Placenta_Crossing_Weighted_Contribution": 0.879148, "Placenta_Crossing_Top_Rank": -0.0618874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54680692": { "type": "Drug", "properties": { "id": "CID:54680692", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54680692", "label": "phenprocoumon", "FDA_Category_D_L1000_Similarity": 0.0504779, "FDA_Category_D_Structural_Similarity": -0.897128, "FDA_Category_D_Weighted_Contribution": -0.806565, "FDA_Category_D_Top_Rank": -0.0917403, "FDA_Category_X_L1000_Similarity": 0.770798, "FDA_Category_X_Structural_Similarity": -0.740016, "FDA_Category_X_Weighted_Contribution": -0.441219, "FDA_Category_X_Top_Rank": -0.0776798, "FDA_Category_D_and_X_L1000_Similarity": 0.277586, "FDA_Category_D_and_X_Structural_Similarity": -1.11137, "FDA_Category_D_and_X_Weighted_Contribution": -0.865411, "FDA_Category_D_and_X_Top_Rank": -0.0892737, "Placenta_Crossing_L1000_Similarity": 1.30236, "Placenta_Crossing_Structural_Similarity": -0.90867, "Placenta_Crossing_Weighted_Contribution": -0.349628, "Placenta_Crossing_Top_Rank": -0.0553516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O", "InChI_key": "DQDAYGNAKTZFIW-UHFFFAOYSA-N" } }, "CID:54685921": { "type": "Drug", "properties": { "id": "CID:54685921", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54685921", "label": "hispidin", "FDA_Category_D_L1000_Similarity": -0.332055, "FDA_Category_D_Structural_Similarity": -0.839868, "FDA_Category_D_Weighted_Contribution": -0.915947, "FDA_Category_D_Top_Rank": -0.0944046, "FDA_Category_X_L1000_Similarity": -0.254731, "FDA_Category_X_Structural_Similarity": -0.501271, "FDA_Category_X_Weighted_Contribution": -0.663957, "FDA_Category_X_Top_Rank": -0.089051, "FDA_Category_D_and_X_L1000_Similarity": -0.363595, "FDA_Category_D_and_X_Structural_Similarity": -0.937099, "FDA_Category_D_and_X_Weighted_Contribution": -0.978707, "FDA_Category_D_and_X_Top_Rank": -0.0945126, "Placenta_Crossing_L1000_Similarity": 0.208204, "Placenta_Crossing_Structural_Similarity": -0.839045, "Placenta_Crossing_Weighted_Contribution": -0.723153, "Placenta_Crossing_Top_Rank": -0.0865445, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=CC2=CC(=CC(=O)O2)O)O)O", "InChI_key": "SGJNQVTUYXCBKH-HNQUOIGGSA-N" } }, "CID:5533": { "type": "Drug", "properties": { "id": "CID:5533", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5533", "label": "trazodone", "FDA_Category_D_L1000_Similarity": 1.86322, "FDA_Category_D_Structural_Similarity": 0.140623, "FDA_Category_D_Weighted_Contribution": 1.15349, "FDA_Category_D_Top_Rank": 0.101953, "FDA_Category_X_L1000_Similarity": 0.851765, "FDA_Category_X_Structural_Similarity": -0.495283, "FDA_Category_X_Weighted_Contribution": -0.187033, "FDA_Category_X_Top_Rank": -0.075614, "FDA_Category_D_and_X_L1000_Similarity": 1.86479, "FDA_Category_D_and_X_Structural_Similarity": -0.155639, "FDA_Category_D_and_X_Weighted_Contribution": 0.740274, "FDA_Category_D_and_X_Top_Rank": 0.0492602, "Placenta_Crossing_L1000_Similarity": 1.14002, "Placenta_Crossing_Structural_Similarity": 1.27479, "Placenta_Crossing_Weighted_Contribution": 1.77931, "Placenta_Crossing_Top_Rank": -0.0346228, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl", "InChI_key": "PHLBKPHSAVXXEF-UHFFFAOYSA-N" } }, "CID:5576": { "type": "Drug", "properties": { "id": "CID:5576", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5576", "label": "trimethadione", "FDA_Category_D_L1000_Similarity": 0.588525, "FDA_Category_D_Structural_Similarity": 0.613684, "FDA_Category_D_Weighted_Contribution": 0.855683, "FDA_Category_D_Top_Rank": -0.0670161, "FDA_Category_X_L1000_Similarity": 0.780919, "FDA_Category_X_Structural_Similarity": -0.63997, "FDA_Category_X_Weighted_Contribution": -0.350185, "FDA_Category_X_Top_Rank": -0.0773872, "FDA_Category_D_and_X_L1000_Similarity": 0.744469, "FDA_Category_D_and_X_Structural_Similarity": 0.141764, "FDA_Category_D_and_X_Weighted_Contribution": 0.399488, "FDA_Category_D_and_X_Top_Rank": -0.0797685, "Placenta_Crossing_L1000_Similarity": 0.247372, "Placenta_Crossing_Structural_Similarity": 1.25945, "Placenta_Crossing_Weighted_Contribution": 1.27912, "Placenta_Crossing_Top_Rank": -0.0359438, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1(C(=O)N(C(=O)O1)C)C", "InChI_key": "IRYJRGCIQBGHIV-UHFFFAOYSA-N" } }, "CID:56971": { "type": "Drug", "properties": { "id": "CID:56971", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID56971", "label": "ipsapirone", "FDA_Category_D_L1000_Similarity": 1.26538, "FDA_Category_D_Structural_Similarity": -0.957137, "FDA_Category_D_Weighted_Contribution": -0.305149, "FDA_Category_D_Top_Rank": -0.042237, "FDA_Category_X_L1000_Similarity": 1.37377, "FDA_Category_X_Structural_Similarity": -0.762579, "FDA_Category_X_Weighted_Contribution": -0.192683, "FDA_Category_X_Top_Rank": -0.054677, "FDA_Category_D_and_X_L1000_Similarity": 1.50797, "FDA_Category_D_and_X_Structural_Similarity": -1.17118, "FDA_Category_D_and_X_Weighted_Contribution": -0.410345, "FDA_Category_D_and_X_Top_Rank": -0.0221722, "Placenta_Crossing_L1000_Similarity": 1.16235, "Placenta_Crossing_Structural_Similarity": -1.12846, "Placenta_Crossing_Weighted_Contribution": -0.58116, "Placenta_Crossing_Top_Rank": -0.063815, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4", "InChI_key": "TZJUVVIWVWFLCD-UHFFFAOYSA-N" } }, "CID:5702106": { "type": "Drug", "properties": { "id": "CID:5702106", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702106", "label": "prednisolone", "FDA_Category_D_L1000_Similarity": 1.18454, "FDA_Category_X_L1000_Similarity": -1.50052, "FDA_Category_D_and_X_L1000_Similarity": 0.565417, "Placenta_Crossing_L1000_Similarity": 1.04694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O", "InChI_key": "OIGNJSKKLXVSLS-YDAVOWJHSA-N" } }, "CID:5702199": { "type": "Drug", "properties": { "id": "CID:5702199", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702199", "label": "antimycin-a", "FDA_Category_D_L1000_Similarity": 1.21026, "FDA_Category_D_Structural_Similarity": 1.05178, "FDA_Category_D_Weighted_Contribution": 1.72853, "FDA_Category_D_Top_Rank": -0.0479165, "FDA_Category_X_L1000_Similarity": 0.687616, "FDA_Category_X_Structural_Similarity": 4.68157, "FDA_Category_X_Weighted_Contribution": 4.18918, "FDA_Category_X_Top_Rank": 0.905592, "FDA_Category_D_and_X_L1000_Similarity": 1.25208, "FDA_Category_D_and_X_Structural_Similarity": 3.36096, "FDA_Category_D_and_X_Weighted_Contribution": 3.52113, "FDA_Category_D_and_X_Top_Rank": 0.322278, "Placenta_Crossing_L1000_Similarity": 0.71379, "Placenta_Crossing_Structural_Similarity": 0.59638, "Placenta_Crossing_Weighted_Contribution": 0.819756, "Placenta_Crossing_Top_Rank": -0.066753, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C", "InChI_key": "ZVYMCLIDNNTNCL-GFRRLMGDSA-N" } }, "CID:57340671": { "type": "Drug", "properties": { "id": "CID:57340671", "label": "jwe-035", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57340671", "FDA_Category_D_L1000_Similarity": -3.2757, "FDA_Category_D_Structural_Similarity": -0.715768, "FDA_Category_D_Weighted_Contribution": -1.62037, "FDA_Category_D_Top_Rank": -0.095976, "FDA_Category_X_L1000_Similarity": -0.849674, "FDA_Category_X_Structural_Similarity": 0.220654, "FDA_Category_X_Weighted_Contribution": -0.310561, "FDA_Category_X_Top_Rank": -0.072519, "FDA_Category_D_and_X_L1000_Similarity": -3.08173, "FDA_Category_D_and_X_Structural_Similarity": -0.44905, "FDA_Category_D_and_X_Weighted_Contribution": -1.45755, "FDA_Category_D_and_X_Top_Rank": -0.0934908, "Placenta_Crossing_L1000_Similarity": -2.1813, "Placenta_Crossing_Structural_Similarity": 1.34422, "Placenta_Crossing_Weighted_Contribution": 0.085724, "Placenta_Crossing_Top_Rank": -0.0302157, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)CC2=C(C=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)C(F)(F)F", "InChI_key": "PXGLIUGVLBRUBV-UHFFFAOYSA-N" } }, "CID:57345410": { "type": "Drug", "properties": { "id": "CID:57345410", "label": "pinometostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57345410", "FDA_Category_D_L1000_Similarity": 0.711967, "FDA_Category_D_Structural_Similarity": 1.91229, "FDA_Category_D_Weighted_Contribution": 2.31294, "FDA_Category_D_Top_Rank": 0.0355729, "FDA_Category_X_L1000_Similarity": -0.168127, "FDA_Category_X_Structural_Similarity": 0.0626972, "FDA_Category_X_Weighted_Contribution": -0.14244, "FDA_Category_X_Top_Rank": -0.0782335, "FDA_Category_D_and_X_L1000_Similarity": 0.562667, "FDA_Category_D_and_X_Structural_Similarity": 1.55164, "FDA_Category_D_and_X_Weighted_Contribution": 1.77782, "FDA_Category_D_and_X_Top_Rank": -0.00983148, "Placenta_Crossing_L1000_Similarity": 1.34099, "Placenta_Crossing_Structural_Similarity": 0.552188, "Placenta_Crossing_Weighted_Contribution": 1.11429, "Placenta_Crossing_Top_Rank": -0.0529381, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "LXFOLMYKSYSZQS-LURJZOHASA-N" } }, "CID:5735": { "type": "Drug", "properties": { "id": "CID:5735", "label": "zopiclone", "lsm": "LSM-4408", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5735", "FDA_Category_D_L1000_Similarity": 1.97993, "FDA_Category_D_Structural_Similarity": -0.882362, "FDA_Category_D_Weighted_Contribution": 0.149015, "FDA_Category_D_Top_Rank": 0.179743, "FDA_Category_X_L1000_Similarity": 0.118652, "FDA_Category_X_Structural_Similarity": -0.749288, "FDA_Category_X_Weighted_Contribution": -0.710622, "FDA_Category_X_Top_Rank": -0.0867111, "FDA_Category_D_and_X_L1000_Similarity": 1.74277, "FDA_Category_D_and_X_Structural_Similarity": -1.10465, "FDA_Category_D_and_X_Weighted_Contribution": -0.245106, "FDA_Category_D_and_X_Top_Rank": 0.0209706, "Placenta_Crossing_L1000_Similarity": 2.4033, "Placenta_Crossing_Structural_Similarity": -1.0712, "Placenta_Crossing_Weighted_Contribution": 0.00112618, "Placenta_Crossing_Top_Rank": 0.216486, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl", "InChI_key": "GBBSUAFBMRNDJC-UHFFFAOYSA-N" } }, "CID:57364": { "type": "Drug", "properties": { "id": "CID:57364", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57364", "label": "carmoxirole", "FDA_Category_D_L1000_Similarity": 1.09523, "FDA_Category_D_Structural_Similarity": 0.537571, "FDA_Category_D_Weighted_Contribution": 1.09575, "FDA_Category_D_Top_Rank": -0.0587204, "FDA_Category_X_L1000_Similarity": -0.161011, "FDA_Category_X_Structural_Similarity": 0.446988, "FDA_Category_X_Weighted_Contribution": 0.241709, "FDA_Category_X_Top_Rank": -0.0641547, "FDA_Category_D_and_X_L1000_Similarity": 0.895208, "FDA_Category_D_and_X_Structural_Similarity": 0.66787, "FDA_Category_D_and_X_Weighted_Contribution": 1.03744, "FDA_Category_D_and_X_Top_Rank": -0.0684328, "Placenta_Crossing_L1000_Similarity": 0.578302, "Placenta_Crossing_Structural_Similarity": 0.158537, "Placenta_Crossing_Weighted_Contribution": 0.2949, "Placenta_Crossing_Top_Rank": -0.0786717, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O", "InChI_key": "AFSOIHMEOKEZJF-UHFFFAOYSA-N" } }, "CID:57519544": { "type": "Drug", "properties": { "id": "CID:57519544", "label": "wnt-c59", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57519544", "FDA_Category_D_L1000_Similarity": 1.12875, "FDA_Category_D_Structural_Similarity": -0.791363, "FDA_Category_D_Weighted_Contribution": -0.230508, "FDA_Category_D_Top_Rank": -0.0556348, "FDA_Category_X_L1000_Similarity": 0.250786, "FDA_Category_X_Structural_Similarity": -0.569504, "FDA_Category_X_Weighted_Contribution": -0.516423, "FDA_Category_X_Top_Rank": -0.0854313, "FDA_Category_D_and_X_L1000_Similarity": 1.04916, "FDA_Category_D_and_X_Structural_Similarity": -0.935418, "FDA_Category_D_and_X_Weighted_Contribution": -0.427599, "FDA_Category_D_and_X_Top_Rank": -0.0661181, "Placenta_Crossing_L1000_Similarity": 0.755125, "Placenta_Crossing_Structural_Similarity": -0.910129, "Placenta_Crossing_Weighted_Contribution": -0.572256, "Placenta_Crossing_Top_Rank": -0.0775399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:57697": { "type": "Drug", "properties": { "id": "CID:57697", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57697", "label": "pemirolast", "FDA_Category_D_L1000_Similarity": -0.744934, "FDA_Category_D_Structural_Similarity": 4.82129, "FDA_Category_D_Weighted_Contribution": 3.77045, "FDA_Category_D_Top_Rank": 1.11865, "FDA_Category_X_L1000_Similarity": 1.33019, "FDA_Category_X_Structural_Similarity": 1.74802, "FDA_Category_X_Weighted_Contribution": 2.49137, "FDA_Category_X_Top_Rank": 0.0106397, "FDA_Category_D_and_X_L1000_Similarity": -0.238194, "FDA_Category_D_and_X_Structural_Similarity": 4.76994, "FDA_Category_D_and_X_Weighted_Contribution": 3.77616, "FDA_Category_D_and_X_Top_Rank": 1.09317, "Placenta_Crossing_L1000_Similarity": 0.63046, "Placenta_Crossing_Structural_Similarity": 1.86582, "Placenta_Crossing_Weighted_Contribution": 2.11962, "Placenta_Crossing_Top_Rank": 0.0171275, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3", "InChI_key": "HIANJWSAHKJQTH-UHFFFAOYSA-N" } }, "CID:5780": { "type": "Drug", "properties": { "id": "CID:5780", "label": "sorbitol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5780", "FDA_Category_D_L1000_Similarity": -0.515818, "FDA_Category_D_Structural_Similarity": -0.942676, "FDA_Category_D_Weighted_Contribution": -1.04317, "FDA_Category_D_Top_Rank": -0.0951903, "FDA_Category_X_L1000_Similarity": 0.568535, "FDA_Category_X_Structural_Similarity": -0.733301, "FDA_Category_X_Weighted_Contribution": -0.520376, "FDA_Category_X_Top_Rank": -0.0814695, "FDA_Category_D_and_X_L1000_Similarity": -0.271991, "FDA_Category_D_and_X_Structural_Similarity": -1.1439, "FDA_Category_D_and_X_Weighted_Contribution": -1.06688, "FDA_Category_D_and_X_Top_Rank": -0.0940602, "Placenta_Crossing_L1000_Similarity": -0.0965467, "Placenta_Crossing_Structural_Similarity": -1.0952, "Placenta_Crossing_Weighted_Contribution": -0.988689, "Placenta_Crossing_Top_Rank": -0.0889708, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(C(C(C(CO)O)O)O)O)O", "InChI_key": "FBPFZTCFMRRESA-JGWLITMVSA-N" } }, "CID:58573469": { "type": "Drug", "properties": { "id": "CID:58573469", "label": "amg-232", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/58573469", "FDA_Category_D_L1000_Similarity": 0.557103, "FDA_Category_D_Structural_Similarity": -0.671757, "FDA_Category_D_Weighted_Contribution": -0.414048, "FDA_Category_D_Top_Rank": -0.083784, "FDA_Category_X_L1000_Similarity": -1.44006, "FDA_Category_X_Structural_Similarity": 5.22969, "FDA_Category_X_Weighted_Contribution": 3.99217, "FDA_Category_X_Top_Rank": 1.1063, "FDA_Category_D_and_X_L1000_Similarity": 0.0429199, "FDA_Category_D_and_X_Structural_Similarity": 2.28874, "FDA_Category_D_and_X_Weighted_Contribution": 2.22415, "FDA_Category_D_and_X_Top_Rank": 0.0736287, "Placenta_Crossing_L1000_Similarity": -1.07895, "Placenta_Crossing_Structural_Similarity": -0.423837, "Placenta_Crossing_Weighted_Contribution": -0.882451, "Placenta_Crossing_Top_Rank": -0.0889465, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CS(=O)(=O)C(C)C)N1C(C(CC(C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl", "InChI_key": "DRLCSJFKKILATL-YWCVFVGNSA-N" } }, "CID:5865": { "type": "Drug", "properties": { "id": "CID:5865", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5865", "label": "prednisone", "FDA_Category_D_L1000_Similarity": 1.50497, "FDA_Category_X_L1000_Similarity": -0.0476936, "FDA_Category_D_and_X_L1000_Similarity": 1.28283, "Placenta_Crossing_L1000_Similarity": 2.15414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C", "InChI_key": "XOFYZVNMUHMLCC-ZPOLXVRWSA-N" } }, "CID:59588070": { "type": "Drug", "properties": { "id": "CID:59588070", "label": "jnk-9l", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59588070", "FDA_Category_D_L1000_Similarity": 0.348613, "FDA_Category_D_Structural_Similarity": 1.67353, "FDA_Category_D_Weighted_Contribution": 1.85304, "FDA_Category_D_Top_Rank": 0.00242657, "FDA_Category_X_L1000_Similarity": -0.557808, "FDA_Category_X_Structural_Similarity": -0.230341, "FDA_Category_X_Weighted_Contribution": -0.569837, "FDA_Category_X_Top_Rank": -0.0851195, "FDA_Category_D_and_X_L1000_Similarity": 0.131122, "FDA_Category_D_and_X_Structural_Similarity": 1.20401, "FDA_Category_D_and_X_Weighted_Contribution": 1.15285, "FDA_Category_D_and_X_Top_Rank": -0.0390315, "Placenta_Crossing_L1000_Similarity": 0.0218837, "Placenta_Crossing_Structural_Similarity": -0.129691, "Placenta_Crossing_Weighted_Contribution": -0.239362, "Placenta_Crossing_Top_Rank": -0.0847823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5C=NC(=N5)C6=CN=CC=C6)C#N", "InChI_key": "VCUNSUCAAIMDKU-UHFFFAOYSA-N" } }, "CID:60164": { "type": "Drug", "properties": { "id": "CID:60164", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60164", "label": "adapalene", "FDA_Category_D_L1000_Similarity": -0.500391, "FDA_Category_D_Structural_Similarity": 1.56495, "FDA_Category_D_Weighted_Contribution": 1.19753, "FDA_Category_D_Top_Rank": -0.0100625, "FDA_Category_X_L1000_Similarity": -0.0589128, "FDA_Category_X_Structural_Similarity": 1.63963, "FDA_Category_X_Weighted_Contribution": 1.62575, "FDA_Category_X_Top_Rank": 0.00183964, "FDA_Category_D_and_X_L1000_Similarity": -0.449233, "FDA_Category_D_and_X_Structural_Similarity": 2.12686, "FDA_Category_D_and_X_Weighted_Contribution": 1.78608, "FDA_Category_D_and_X_Top_Rank": 0.0513073, "Placenta_Crossing_L1000_Similarity": -0.863104, "Placenta_Crossing_Structural_Similarity": -0.570029, "Placenta_Crossing_Weighted_Contribution": -0.905658, "Placenta_Crossing_Top_Rank": -0.0903207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5", "InChI_key": "LZCDAPDGXCYOEH-UHFFFAOYSA-N" } }, "CID:60184097": { "type": "Drug", "properties": { "id": "CID:60184097", "label": "SA-1938421", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60184097", "FDA_Category_D_L1000_Similarity": 0.043297, "FDA_Category_D_Structural_Similarity": -0.694795, "FDA_Category_D_Weighted_Contribution": -0.66655, "FDA_Category_D_Top_Rank": -0.0918032, "FDA_Category_X_L1000_Similarity": 1.26785, "FDA_Category_X_Structural_Similarity": 1.1631, "FDA_Category_X_Weighted_Contribution": 1.83609, "FDA_Category_X_Top_Rank": -0.0314681, "FDA_Category_D_and_X_L1000_Similarity": 0.422343, "FDA_Category_D_and_X_Structural_Similarity": 0.0761346, "FDA_Category_D_and_X_Weighted_Contribution": 0.156912, "FDA_Category_D_and_X_Top_Rank": -0.0846574, "Placenta_Crossing_L1000_Similarity": 0.312935, "Placenta_Crossing_Structural_Similarity": -0.97594, "Placenta_Crossing_Weighted_Contribution": -0.781043, "Placenta_Crossing_Top_Rank": -0.0855069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60184895": { "type": "Drug", "properties": { "id": "CID:60184895", "label": "SA-1939938", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60184895", "FDA_Category_D_L1000_Similarity": -0.129426, "FDA_Category_D_Structural_Similarity": 2.01953, "FDA_Category_D_Weighted_Contribution": 1.92246, "FDA_Category_D_Top_Rank": 0.0499981, "FDA_Category_X_L1000_Similarity": 0.255487, "FDA_Category_X_Structural_Similarity": -0.281135, "FDA_Category_X_Weighted_Contribution": -0.264426, "FDA_Category_X_Top_Rank": -0.0853496, "FDA_Category_D_and_X_L1000_Similarity": -0.0339825, "FDA_Category_D_and_X_Structural_Similarity": 1.45123, "FDA_Category_D_and_X_Weighted_Contribution": 1.31849, "FDA_Category_D_and_X_Top_Rank": -0.0199485, "Placenta_Crossing_L1000_Similarity": -0.0713193, "Placenta_Crossing_Structural_Similarity": 1.35155, "Placenta_Crossing_Weighted_Contribution": 1.2039, "Placenta_Crossing_Top_Rank": -0.0300439, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60186794": { "type": "Drug", "properties": { "id": "CID:60186794", "label": "SA-1939064", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186794", "FDA_Category_D_L1000_Similarity": -0.365046, "FDA_Category_D_Structural_Similarity": -0.319513, "FDA_Category_D_Weighted_Contribution": -0.56396, "FDA_Category_D_Top_Rank": -0.0917085, "FDA_Category_X_L1000_Similarity": 0.904611, "FDA_Category_X_Structural_Similarity": -0.328953, "FDA_Category_X_Weighted_Contribution": -0.00290869, "FDA_Category_X_Top_Rank": -0.0742552, "FDA_Category_D_and_X_L1000_Similarity": -0.0399643, "FDA_Category_D_and_X_Structural_Similarity": -0.431103, "FDA_Category_D_and_X_Weighted_Contribution": -0.51129, "FDA_Category_D_and_X_Top_Rank": -0.0925394, "Placenta_Crossing_L1000_Similarity": 0.132736, "Placenta_Crossing_Structural_Similarity": -0.631195, "Placenta_Crossing_Weighted_Contribution": -0.600031, "Placenta_Crossing_Top_Rank": -0.0872438, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6037": { "type": "Drug", "properties": { "id": "CID:6037", "label": "folic acid", "lsm": "LSM-5355", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6037", "FDA_Category_D_L1000_Similarity": -0.682849, "FDA_Category_X_L1000_Similarity": 1.84539, "FDA_Category_D_and_X_L1000_Similarity": -0.028214, "Placenta_Crossing_L1000_Similarity": 0.895333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N", "InChI_key": "OVBPIULPVIDEAO-LBPRGKRZSA-N" } }, "CID:60490": { "type": "Drug", "properties": { "id": "CID:60490", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60490", "label": "zileuton", "FDA_Category_D_L1000_Similarity": 1.90363, "FDA_Category_D_Structural_Similarity": 0.350076, "FDA_Category_D_Weighted_Contribution": 1.40855, "FDA_Category_D_Top_Rank": 0.12118, "FDA_Category_X_L1000_Similarity": 0.112624, "FDA_Category_X_Structural_Similarity": 2.54672, "FDA_Category_X_Weighted_Contribution": 2.67693, "FDA_Category_X_Top_Rank": 0.117943, "FDA_Category_D_and_X_L1000_Similarity": 1.67517, "FDA_Category_D_and_X_Structural_Similarity": 1.65206, "FDA_Category_D_and_X_Weighted_Contribution": 2.4832, "FDA_Category_D_and_X_Top_Rank": 0.00468364, "Placenta_Crossing_L1000_Similarity": 1.65881, "Placenta_Crossing_Structural_Similarity": 0.253797, "Placenta_Crossing_Weighted_Contribution": 0.966358, "Placenta_Crossing_Top_Rank": -0.0209721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O", "InChI_key": "MWLSOWXNZPKENC-UHFFFAOYSA-N" } }, "CID:60663": { "type": "Drug", "properties": { "id": "CID:60663", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60663", "label": "mibefradil", "FDA_Category_D_L1000_Similarity": -1.31779, "FDA_Category_D_Structural_Similarity": -0.665029, "FDA_Category_D_Weighted_Contribution": -1.14905, "FDA_Category_D_Top_Rank": -0.0955828, "FDA_Category_X_L1000_Similarity": 2.82452, "FDA_Category_X_Structural_Similarity": 0.964169, "FDA_Category_X_Weighted_Contribution": 2.45506, "FDA_Category_X_Top_Rank": 0.357433, "FDA_Category_D_and_X_L1000_Similarity": -0.27821, "FDA_Category_D_and_X_Structural_Similarity": -0.00758058, "FDA_Category_D_and_X_Weighted_Contribution": -0.275732, "FDA_Category_D_and_X_Top_Rank": -0.0865198, "Placenta_Crossing_L1000_Similarity": -2.00462, "Placenta_Crossing_Structural_Similarity": -0.0622045, "Placenta_Crossing_Weighted_Contribution": -0.9497, "Placenta_Crossing_Top_Rank": -0.0835073, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F", "InChI_key": "HBNPJJILLOYFJU-VMPREFPWSA-N" } }, "CID:6127": { "type": "Drug", "properties": { "id": "CID:6127", "label": "diphemanil", "lsm": "LSM-4102", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6127", "FDA_Category_D_L1000_Similarity": 0.799802, "FDA_Category_D_Structural_Similarity": 1.03947, "FDA_Category_D_Weighted_Contribution": 1.45546, "FDA_Category_D_Top_Rank": -0.048338, "FDA_Category_X_L1000_Similarity": -0.095012, "FDA_Category_X_Structural_Similarity": -0.176633, "FDA_Category_X_Weighted_Contribution": -0.328061, "FDA_Category_X_Top_Rank": -0.084073, "FDA_Category_D_and_X_L1000_Similarity": 0.660589, "FDA_Category_D_and_X_Structural_Similarity": 0.729732, "FDA_Category_D_and_X_Weighted_Contribution": 0.963068, "FDA_Category_D_and_X_Top_Rank": -0.066354, "Placenta_Crossing_L1000_Similarity": 0.746795, "Placenta_Crossing_Structural_Similarity": -0.103643, "Placenta_Crossing_Weighted_Contribution": 0.12173, "Placenta_Crossing_Top_Rank": -0.0777219, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C", "InChI_key": "LCTZPQRFOZKZNK-UHFFFAOYSA-N" } }, "CID:6129": { "type": "Drug", "properties": { "id": "CID:6129", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6129", "label": "Carbaryl", "FDA_Category_D_L1000_Similarity": -0.194752, "FDA_Category_D_Structural_Similarity": -0.749115, "FDA_Category_D_Weighted_Contribution": -0.803568, "FDA_Category_D_Top_Rank": -0.0936526, "FDA_Category_X_L1000_Similarity": -0.463811, "FDA_Category_X_Structural_Similarity": -0.00431088, "FDA_Category_X_Weighted_Contribution": -0.338896, "FDA_Category_X_Top_Rank": -0.0799033, "FDA_Category_D_and_X_L1000_Similarity": -0.308736, "FDA_Category_D_and_X_Structural_Similarity": -0.596908, "FDA_Category_D_and_X_Weighted_Contribution": -0.74245, "FDA_Category_D_and_X_Top_Rank": -0.09425, "Placenta_Crossing_L1000_Similarity": -0.448853, "Placenta_Crossing_Structural_Similarity": 1.13827, "Placenta_Crossing_Weighted_Contribution": 0.768742, "Placenta_Crossing_Top_Rank": -0.0433537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6185": { "type": "Drug", "properties": { "id": "CID:6185", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6185", "label": "strophanthidin", "FDA_Category_D_L1000_Similarity": -1.28047, "FDA_Category_X_L1000_Similarity": -2.22163, "FDA_Category_D_and_X_L1000_Similarity": -1.77845, "Placenta_Crossing_L1000_Similarity": -1.3725, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O", "InChI_key": "ODJLBQGVINUMMR-HZXDTFASSA-N" } }, "CID:6253": { "type": "Drug", "properties": { "id": "CID:6253", "label": "cytarabine", "lsm": "LSM-5470", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6253", "IDG_ID": "770", "FDA_Category_D_L1000_Similarity": 1.14343, "FDA_Category_D_Structural_Similarity": 3.68691, "FDA_Category_D_Weighted_Contribution": 3.75773, "FDA_Category_D_Top_Rank": 0.423691, "FDA_Category_X_L1000_Similarity": -1.36198, "FDA_Category_X_Structural_Similarity": -0.448948, "FDA_Category_X_Weighted_Contribution": -1.01467, "FDA_Category_X_Top_Rank": -0.0890304, "FDA_Category_D_and_X_L1000_Similarity": 0.572039, "FDA_Category_D_and_X_Structural_Similarity": 2.6841, "FDA_Category_D_and_X_Weighted_Contribution": 2.83353, "FDA_Category_D_and_X_Top_Rank": 0.133246, "Placenta_Crossing_L1000_Similarity": -1.23054, "Placenta_Crossing_Structural_Similarity": 4.08922, "Placenta_Crossing_Weighted_Contribution": 3.19995, "Placenta_Crossing_Top_Rank": 0.531299, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O", "InChI_key": "UHDGCWIWMRVCDJ-CCXZUQQUSA-N" } }, "CID:6399253": { "type": "Drug", "properties": { "id": "CID:6399253", "label": "cefdinir", "lsm": "LSM-5216", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6399253", "FDA_Category_D_L1000_Similarity": -1.00112, "FDA_Category_D_Structural_Similarity": -0.680629, "FDA_Category_D_Weighted_Contribution": -1.05587, "FDA_Category_D_Top_Rank": -0.0956894, "FDA_Category_X_L1000_Similarity": 1.46863, "FDA_Category_X_Structural_Similarity": -0.429567, "FDA_Category_X_Weighted_Contribution": 0.178899, "FDA_Category_X_Top_Rank": -0.0490957, "FDA_Category_D_and_X_L1000_Similarity": -0.416989, "FDA_Category_D_and_X_Structural_Similarity": -0.772018, "FDA_Category_D_and_X_Weighted_Contribution": -0.896909, "FDA_Category_D_and_X_Top_Rank": -0.0947528, "Placenta_Crossing_L1000_Similarity": 0.98537, "Placenta_Crossing_Structural_Similarity": -0.191167, "Placenta_Crossing_Weighted_Contribution": 0.154082, "Placenta_Crossing_Top_Rank": -0.0709372, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O", "InChI_key": "RTXOFQZKPXMALH-RWFJUVPESA-N" } }, "CID:6433109": { "type": "Drug", "properties": { "id": "CID:6433109", "label": "emapunil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6433109", "FDA_Category_D_L1000_Similarity": 1.52513, "FDA_Category_D_Structural_Similarity": -0.331489, "FDA_Category_D_Weighted_Contribution": 0.435373, "FDA_Category_D_Top_Rank": -0.00274061, "FDA_Category_X_L1000_Similarity": 0.860942, "FDA_Category_X_Structural_Similarity": -0.586547, "FDA_Category_X_Weighted_Contribution": -0.266638, "FDA_Category_X_Top_Rank": -0.0754094, "FDA_Category_D_and_X_L1000_Similarity": 1.57614, "FDA_Category_D_and_X_Structural_Similarity": -0.579605, "FDA_Category_D_and_X_Weighted_Contribution": 0.148304, "FDA_Category_D_and_X_Top_Rank": -0.0111737, "Placenta_Crossing_L1000_Similarity": 1.69101, "Placenta_Crossing_Structural_Similarity": -0.63976, "Placenta_Crossing_Weighted_Contribution": 0.0671387, "Placenta_Crossing_Top_Rank": -0.0167782, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4", "InChI_key": "NBMBIEOUVBHEBM-UHFFFAOYSA-N" } }, "CID:6437068": { "type": "Drug", "properties": { "id": "CID:6437068", "label": "enevalproate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6437068", "FDA_Category_D_L1000_Similarity": 0.510681, "FDA_Category_D_Structural_Similarity": -0.815937, "FDA_Category_D_Weighted_Contribution": -0.551263, "FDA_Category_D_Top_Rank": -0.085034, "FDA_Category_X_L1000_Similarity": -0.43048, "FDA_Category_X_Structural_Similarity": -0.680955, "FDA_Category_X_Weighted_Contribution": -0.860062, "FDA_Category_X_Top_Rank": -0.0897936, "FDA_Category_D_and_X_L1000_Similarity": 0.309487, "FDA_Category_D_and_X_Structural_Similarity": -1.01506, "FDA_Category_D_and_X_Weighted_Contribution": -0.790947, "FDA_Category_D_and_X_Top_Rank": -0.0888059, "Placenta_Crossing_L1000_Similarity": 0.0618693, "Placenta_Crossing_Structural_Similarity": -0.77153, "Placenta_Crossing_Weighted_Contribution": -0.72787, "Placenta_Crossing_Top_Rank": -0.0878566, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6451164": { "type": "Drug", "properties": { "id": "CID:6451164", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6451164", "label": "rilpivirine", "FDA_Category_D_L1000_Similarity": 1.03161, "FDA_Category_D_Structural_Similarity": 1.15236, "FDA_Category_D_Weighted_Contribution": 1.72422, "FDA_Category_D_Top_Rank": -0.0429391, "FDA_Category_X_L1000_Similarity": 3.10485, "FDA_Category_X_Structural_Similarity": -0.577344, "FDA_Category_X_Weighted_Contribution": 0.904944, "FDA_Category_X_Top_Rank": 0.665304, "FDA_Category_D_and_X_L1000_Similarity": 1.83214, "FDA_Category_D_and_X_Structural_Similarity": 0.603114, "FDA_Category_D_and_X_Weighted_Contribution": 1.5294, "FDA_Category_D_and_X_Top_Rank": 0.0390815, "Placenta_Crossing_L1000_Similarity": 1.14196, "Placenta_Crossing_Structural_Similarity": 0.653068, "Placenta_Crossing_Weighted_Contribution": 1.11419, "Placenta_Crossing_Top_Rank": -0.0646939, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N", "InChI_key": "YIBOMRUWOWDFLG-ONEGZZNKSA-N" } }, "CID:6473767": { "type": "Drug", "properties": { "id": "CID:6473767", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6473767", "label": "picrotoxin", "FDA_Category_D_L1000_Similarity": 1.39937, "FDA_Category_D_Structural_Similarity": -0.0196582, "FDA_Category_D_Weighted_Contribution": 0.685443, "FDA_Category_D_Top_Rank": -0.024684, "FDA_Category_X_L1000_Similarity": 0.989409, "FDA_Category_X_Structural_Similarity": 4.07301, "FDA_Category_X_Weighted_Contribution": 4.01755, "FDA_Category_X_Top_Rank": 0.571074, "FDA_Category_D_and_X_L1000_Similarity": 1.50675, "FDA_Category_D_and_X_Structural_Similarity": 2.18218, "FDA_Category_D_and_X_Weighted_Contribution": 2.85094, "FDA_Category_D_and_X_Top_Rank": 0.0600772, "Placenta_Crossing_L1000_Similarity": 1.94007, "Placenta_Crossing_Structural_Similarity": 1.18947, "Placenta_Crossing_Weighted_Contribution": 2.10767, "Placenta_Crossing_Top_Rank": 0.0293809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O", "InChI_key": "VJKUPQSHOVKBCO-AHMKVGDJSA-N" } }, "CID:65373": { "type": "Drug", "properties": { "id": "CID:65373", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65373", "label": "secoisolariciresinol", "FDA_Category_D_L1000_Similarity": 0.774225, "FDA_Category_D_Structural_Similarity": -0.944387, "FDA_Category_D_Weighted_Contribution": -0.531062, "FDA_Category_D_Top_Rank": -0.0769824, "FDA_Category_X_L1000_Similarity": 2.1882, "FDA_Category_X_Structural_Similarity": -0.752336, "FDA_Category_X_Weighted_Contribution": 0.217172, "FDA_Category_X_Top_Rank": 0.0477158, "FDA_Category_D_and_X_L1000_Similarity": 1.3319, "FDA_Category_D_and_X_Structural_Similarity": -1.15553, "FDA_Category_D_and_X_Weighted_Contribution": -0.476519, "FDA_Category_D_and_X_Top_Rank": -0.0437878, "Placenta_Crossing_L1000_Similarity": 1.41964, "Placenta_Crossing_Structural_Similarity": -1.11182, "Placenta_Crossing_Weighted_Contribution": -0.466863, "Placenta_Crossing_Top_Rank": -0.0469037, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O", "InChI_key": "PUETUDUXMCLALY-HOTGVXAUSA-N" } }, "CID:65781": { "type": "Drug", "properties": { "id": "CID:65781", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65781", "label": "ecabet", "FDA_Category_D_L1000_Similarity": 0.517916, "FDA_Category_D_Structural_Similarity": -0.707599, "FDA_Category_D_Weighted_Contribution": -0.462033, "FDA_Category_D_Top_Rank": -0.0848671, "FDA_Category_X_L1000_Similarity": 0.809457, "FDA_Category_X_Structural_Similarity": -0.573774, "FDA_Category_X_Weighted_Contribution": -0.278394, "FDA_Category_X_Top_Rank": -0.0766594, "FDA_Category_D_and_X_L1000_Similarity": 0.69226, "FDA_Category_D_and_X_Structural_Similarity": -0.871236, "FDA_Category_D_and_X_Weighted_Contribution": -0.534125, "FDA_Category_D_and_X_Top_Rank": -0.0814328, "Placenta_Crossing_L1000_Similarity": -0.184596, "Placenta_Crossing_Structural_Similarity": 0.0187273, "Placenta_Crossing_Weighted_Contribution": -0.20117, "Placenta_Crossing_Top_Rank": -0.0819325, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)O", "InChI_key": "IWCWQNVIUXZOMJ-MISYRCLQSA-N" } }, "CID:658169": { "type": "Drug", "properties": { "id": "CID:658169", "label": "st-4028268", "lsm": "LSM-4547", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/658169", "FDA_Category_D_L1000_Similarity": 0.715035, "FDA_Category_X_L1000_Similarity": -0.426772, "FDA_Category_D_and_X_L1000_Similarity": 0.486768, "Placenta_Crossing_L1000_Similarity": 0.246916, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(NC(=S)C(=C1C)C#N)C", "InChI_key": "IMLGWNWCXQYTLB-UHFFFAOYSA-N" } }, "CID:65999": { "type": "Drug", "properties": { "id": "CID:65999", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65999", "label": "telmisartan", "ref": "LSM-3657", "FDA_Category_D_L1000_Similarity": 1.79693, "FDA_Category_D_Structural_Similarity": 2.53908, "FDA_Category_D_Weighted_Contribution": 3.34233, "FDA_Category_D_Top_Rank": 0.138144, "FDA_Category_X_L1000_Similarity": 0.12712, "FDA_Category_X_Structural_Similarity": -0.0922653, "FDA_Category_X_Weighted_Contribution": -0.149239, "FDA_Category_X_Top_Rank": -0.0820785, "FDA_Category_D_and_X_L1000_Similarity": 1.58759, "FDA_Category_D_and_X_Structural_Similarity": 1.96552, "FDA_Category_D_and_X_Weighted_Contribution": 2.71218, "FDA_Category_D_and_X_Top_Rank": 0.0307992, "Placenta_Crossing_L1000_Similarity": 0.668205, "Placenta_Crossing_Structural_Similarity": 1.78749, "Placenta_Crossing_Weighted_Contribution": 2.06036, "Placenta_Crossing_Top_Rank": 0.00996943, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C", "InChI_key": "RMMXLENWKUUMAY-UHFFFAOYSA-N" } }, "CID:6604889": { "type": "Drug", "properties": { "id": "CID:6604889", "label": "sb-269970", "lsm": "LSM-2529", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604889", "FDA_Category_D_L1000_Similarity": 0.532761, "FDA_Category_D_Structural_Similarity": 0.175219, "FDA_Category_D_Weighted_Contribution": 0.359043, "FDA_Category_D_Top_Rank": -0.080639, "FDA_Category_X_L1000_Similarity": 2.35818, "FDA_Category_X_Structural_Similarity": 0.621086, "FDA_Category_X_Weighted_Contribution": 1.84008, "FDA_Category_X_Top_Rank": 0.0983861, "FDA_Category_D_and_X_L1000_Similarity": 1.17539, "FDA_Category_D_and_X_Structural_Similarity": 0.474209, "FDA_Category_D_and_X_Weighted_Contribution": 0.998338, "FDA_Category_D_and_X_Top_Rank": -0.0566631, "Placenta_Crossing_L1000_Similarity": 1.2663, "Placenta_Crossing_Structural_Similarity": 0.368924, "Placenta_Crossing_Weighted_Contribution": 0.876213, "Placenta_Crossing_Top_Rank": -0.0580675, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCN(CC1)CCC2CCCN2S(=O)(=O)C3=CC=CC(=C3)O", "InChI_key": "HWKROQUZSKPIKQ-MRXNPFEDSA-N" } }, "CID:6610243": { "type": "Drug", "properties": { "id": "CID:6610243", "label": "penitrem-a", "lsm": "LSM-2058", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610243", "FDA_Category_D_L1000_Similarity": 0.0360445, "FDA_Category_D_Structural_Similarity": 2.13995, "FDA_Category_D_Weighted_Contribution": 2.14596, "FDA_Category_D_Top_Rank": 0.0730145, "FDA_Category_X_L1000_Similarity": 0.436265, "FDA_Category_X_Structural_Similarity": 2.79174, "FDA_Category_X_Weighted_Contribution": 3.04377, "FDA_Category_X_Top_Rank": 0.165106, "FDA_Category_D_and_X_L1000_Similarity": 0.16356, "FDA_Category_D_and_X_Structural_Similarity": 3.20491, "FDA_Category_D_and_X_Weighted_Contribution": 3.05336, "FDA_Category_D_and_X_Top_Rank": 0.277211, "Placenta_Crossing_L1000_Similarity": 0.887078, "Placenta_Crossing_Structural_Similarity": 0.782857, "Placenta_Crossing_Weighted_Contribution": 1.11471, "Placenta_Crossing_Top_Rank": -0.060032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O", "InChI_key": "JDUWHZOLEDOQSR-JKPSMKLGSA-N" } }, "CID:6610273": { "type": "Drug", "properties": { "id": "CID:6610273", "label": "C2-dihydroceramide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610273", "FDA_Category_D_L1000_Similarity": 1.08133, "FDA_Category_X_L1000_Similarity": -0.912796, "FDA_Category_D_and_X_L1000_Similarity": 0.654923, "Placenta_Crossing_L1000_Similarity": 0.0619499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:66577006": { "type": "Drug", "properties": { "id": "CID:66577006", "label": "KIN001-270", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/66577006", "FDA_Category_D_L1000_Similarity": 2.64559, "FDA_Category_D_Structural_Similarity": 0.242317, "FDA_Category_D_Weighted_Contribution": 1.76168, "FDA_Category_D_Top_Rank": 1.20195, "FDA_Category_X_L1000_Similarity": 2.07889, "FDA_Category_X_Structural_Similarity": -0.629541, "FDA_Category_X_Weighted_Contribution": 0.287793, "FDA_Category_X_Top_Rank": 0.0240925, "FDA_Category_D_and_X_L1000_Similarity": 2.91186, "FDA_Category_D_and_X_Structural_Similarity": -0.147368, "FDA_Category_D_and_X_Weighted_Contribution": 1.37486, "FDA_Category_D_and_X_Top_Rank": 1.4488, "Placenta_Crossing_L1000_Similarity": 1.51816, "Placenta_Crossing_Structural_Similarity": -0.0206698, "Placenta_Crossing_Weighted_Contribution": 0.599053, "Placenta_Crossing_Top_Rank": -0.0380279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6708684": { "type": "Drug", "properties": { "id": "CID:6708684", "label": "scopoline", "lsm": "LSM-1903", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708684", "FDA_Category_D_L1000_Similarity": 0.230346, "FDA_Category_D_Structural_Similarity": -0.271998, "FDA_Category_D_Weighted_Contribution": -0.236432, "FDA_Category_D_Top_Rank": -0.0898298, "FDA_Category_X_L1000_Similarity": 0.561092, "FDA_Category_X_Structural_Similarity": -0.364778, "FDA_Category_X_Weighted_Contribution": -0.200907, "FDA_Category_X_Top_Rank": -0.0816236, "FDA_Category_D_and_X_L1000_Similarity": 0.368957, "FDA_Category_D_and_X_Structural_Similarity": -0.412721, "FDA_Category_D_and_X_Weighted_Contribution": -0.311524, "FDA_Category_D_and_X_Top_Rank": -0.0879488, "Placenta_Crossing_L1000_Similarity": 0.856734, "Placenta_Crossing_Structural_Similarity": -0.581225, "Placenta_Crossing_Weighted_Contribution": -0.263601, "Placenta_Crossing_Top_Rank": -0.0747938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6708769": { "type": "Drug", "properties": { "id": "CID:6708769", "label": "buddleoflavonoloside", "lsm": "LSM-2566", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708769", "FDA_Category_D_L1000_Similarity": 0.309025, "FDA_Category_D_Structural_Similarity": 0.543225, "FDA_Category_D_Weighted_Contribution": 0.605218, "FDA_Category_D_Top_Rank": -0.0695505, "FDA_Category_X_L1000_Similarity": 1.48178, "FDA_Category_X_Structural_Similarity": 0.332015, "FDA_Category_X_Weighted_Contribution": 1.01482, "FDA_Category_X_Top_Rank": -0.0481982, "FDA_Category_D_and_X_L1000_Similarity": 0.716369, "FDA_Category_D_and_X_Structural_Similarity": 0.610319, "FDA_Category_D_and_X_Weighted_Contribution": 0.869312, "FDA_Category_D_and_X_Top_Rank": -0.0705114, "Placenta_Crossing_L1000_Similarity": 1.64436, "Placenta_Crossing_Structural_Similarity": 0.0547036, "Placenta_Crossing_Weighted_Contribution": 0.745762, "Placenta_Crossing_Top_Rank": -0.0230162, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O", "InChI_key": "YFVGIJBUXMQFOF-JCXAZDOFSA-N" } }, "CID:67135703": { "type": "Drug", "properties": { "id": "CID:67135703", "label": "KIN001-260", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67135703", "FDA_Category_D_L1000_Similarity": 0.524255, "FDA_Category_D_Structural_Similarity": 1.71455, "FDA_Category_D_Weighted_Contribution": 2.00339, "FDA_Category_D_Top_Rank": 0.00793928, "FDA_Category_X_L1000_Similarity": 1.17913, "FDA_Category_X_Structural_Similarity": 0.0031655, "FDA_Category_X_Weighted_Contribution": 0.481485, "FDA_Category_X_Top_Rank": -0.0652564, "FDA_Category_D_and_X_L1000_Similarity": 0.81, "FDA_Category_D_and_X_Structural_Similarity": 1.36257, "FDA_Category_D_and_X_Weighted_Contribution": 1.72543, "FDA_Category_D_and_X_Top_Rank": -0.0261778, "Placenta_Crossing_L1000_Similarity": 0.149144, "Placenta_Crossing_Structural_Similarity": 0.264092, "Placenta_Crossing_Weighted_Contribution": 0.184258, "Placenta_Crossing_Top_Rank": -0.0760888, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:688561": { "type": "Drug", "properties": { "id": "CID:688561", "label": "procaterol", "lsm": "LSM-1391", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/688561", "IDG_ID": "2273", "FDA_Category_D_L1000_Similarity": 0.955418, "FDA_Category_D_Structural_Similarity": -0.579041, "FDA_Category_D_Weighted_Contribution": -0.131251, "FDA_Category_D_Top_Rank": -0.0681278, "FDA_Category_X_L1000_Similarity": 1.99374, "FDA_Category_X_Structural_Similarity": -0.347537, "FDA_Category_X_Weighted_Contribution": 0.543132, "FDA_Category_X_Top_Rank": 0.0104225, "FDA_Category_D_and_X_L1000_Similarity": 1.42905, "FDA_Category_D_and_X_Structural_Similarity": -0.647122, "FDA_Category_D_and_X_Weighted_Contribution": 0.00675052, "FDA_Category_D_and_X_Top_Rank": -0.0334451, "Placenta_Crossing_L1000_Similarity": 3.12268, "Placenta_Crossing_Structural_Similarity": 3.11451, "Placenta_Crossing_Weighted_Contribution": 3.83685, "Placenta_Crossing_Top_Rank": 1.49425, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C", "InChI_key": "FKNXQNWAXFXVNW-BLLLJJGKSA-N" } }, "CID:68870": { "type": "Drug", "properties": { "id": "CID:68870", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68870", "label": "tianeptine", "FDA_Category_D_L1000_Similarity": -0.0246796, "FDA_Category_D_Structural_Similarity": -0.29789, "FDA_Category_D_Weighted_Contribution": -0.386547, "FDA_Category_D_Top_Rank": -0.0913717, "FDA_Category_X_L1000_Similarity": 1.1575, "FDA_Category_X_Structural_Similarity": -0.542357, "FDA_Category_X_Weighted_Contribution": -0.087047, "FDA_Category_X_Top_Rank": -0.0661024, "FDA_Category_D_and_X_L1000_Similarity": 0.330237, "FDA_Category_D_and_X_Structural_Similarity": -0.529093, "FDA_Category_D_and_X_Weighted_Contribution": -0.424935, "FDA_Category_D_and_X_Top_Rank": -0.0885435, "Placenta_Crossing_L1000_Similarity": 0.593323, "Placenta_Crossing_Structural_Similarity": -0.445777, "Placenta_Crossing_Weighted_Contribution": -0.262034, "Placenta_Crossing_Top_Rank": -0.0811417, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O", "InChI_key": "JICJBGPOMZQUBB-UHFFFAOYSA-N" } }, "CID:6914657": { "type": "Drug", "properties": { "id": "CID:6914657", "label": "daporinad", "lsm": "LSM-5684", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6914657", "FDA_Category_D_L1000_Similarity": 2.32561, "FDA_Category_D_Structural_Similarity": 0.818366, "FDA_Category_D_Weighted_Contribution": 2.16526, "FDA_Category_D_Top_Rank": 0.514327, "FDA_Category_X_L1000_Similarity": 1.28424, "FDA_Category_X_Structural_Similarity": -0.119153, "FDA_Category_X_Weighted_Contribution": 0.406746, "FDA_Category_X_Top_Rank": -0.0602494, "FDA_Category_D_and_X_L1000_Similarity": 2.39471, "FDA_Category_D_and_X_Structural_Similarity": 0.585254, "FDA_Category_D_and_X_Weighted_Contribution": 1.84034, "FDA_Category_D_and_X_Top_Rank": 0.352658, "Placenta_Crossing_L1000_Similarity": 2.61392, "Placenta_Crossing_Structural_Similarity": -0.65274, "Placenta_Crossing_Weighted_Contribution": 0.519896, "Placenta_Crossing_Top_Rank": 0.360553, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3", "InChI_key": "KPBNHDGDUADAGP-VAWYXSNFSA-N" } }, "CID:6917960": { "type": "Drug", "properties": { "id": "CID:6917960", "label": "KBG", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6917960", "FDA_Category_D_L1000_Similarity": 0.503399, "FDA_Category_D_Structural_Similarity": 1.97841, "FDA_Category_D_Weighted_Contribution": 2.25796, "FDA_Category_D_Top_Rank": 0.044487, "FDA_Category_X_L1000_Similarity": 1.01178, "FDA_Category_X_Structural_Similarity": -0.377123, "FDA_Category_X_Weighted_Contribution": 0.00244234, "FDA_Category_X_Top_Rank": -0.0710403, "FDA_Category_D_and_X_L1000_Similarity": 0.741197, "FDA_Category_D_and_X_Structural_Similarity": 1.3668, "FDA_Category_D_and_X_Weighted_Contribution": 1.68959, "FDA_Category_D_and_X_Top_Rank": -0.025764, "Placenta_Crossing_L1000_Similarity": 1.74653, "Placenta_Crossing_Structural_Similarity": 1.2311, "Placenta_Crossing_Weighted_Contribution": 2.05094, "Placenta_Crossing_Top_Rank": -0.00837963, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6918155": { "type": "Drug", "properties": { "id": "CID:6918155", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918155", "label": "ciclesonide", "FDA_Category_D_L1000_Similarity": 0.117828, "FDA_Category_D_Structural_Similarity": 0.416746, "FDA_Category_D_Weighted_Contribution": 0.357563, "FDA_Category_D_Top_Rank": -0.0739381, "FDA_Category_X_L1000_Similarity": -2.17271, "FDA_Category_X_Structural_Similarity": 2.23779, "FDA_Category_X_Weighted_Contribution": 1.10236, "FDA_Category_X_Top_Rank": 0.0703365, "FDA_Category_D_and_X_L1000_Similarity": -0.558242, "FDA_Category_D_and_X_Structural_Similarity": 1.53828, "FDA_Category_D_and_X_Weighted_Contribution": 1.09698, "FDA_Category_D_and_X_Top_Rank": -0.0116126, "Placenta_Crossing_L1000_Similarity": -1.03594, "Placenta_Crossing_Structural_Similarity": 1.2357, "Placenta_Crossing_Weighted_Contribution": 0.558079, "Placenta_Crossing_Top_Rank": -0.0375542, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6", "InChI_key": "LUKZNWIVRBCLON-GXOBDPJESA-N" } }, "CID:6918493": { "type": "Drug", "properties": { "id": "CID:6918493", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918493", "label": "ambrisentan", "FDA_Category_D_L1000_Similarity": 0.407081, "FDA_Category_D_Structural_Similarity": -0.912036, "FDA_Category_D_Weighted_Contribution": -0.669643, "FDA_Category_D_Top_Rank": -0.087087, "FDA_Category_X_L1000_Similarity": 2.11429, "FDA_Category_X_Structural_Similarity": -0.487454, "FDA_Category_X_Weighted_Contribution": 0.457099, "FDA_Category_X_Top_Rank": 0.031375, "FDA_Category_D_and_X_L1000_Similarity": 0.992979, "FDA_Category_D_and_X_Structural_Similarity": -0.986924, "FDA_Category_D_and_X_Weighted_Contribution": -0.493258, "FDA_Category_D_and_X_Top_Rank": -0.0695825, "Placenta_Crossing_L1000_Similarity": 0.543341, "Placenta_Crossing_Structural_Similarity": -0.228359, "Placenta_Crossing_Weighted_Contribution": -0.0917641, "Placenta_Crossing_Top_Rank": -0.0822106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C", "InChI_key": "OUJTZYPIHDYQMC-LJQANCHMSA-N" } }, "CID:695347": { "type": "Drug", "properties": { "id": "CID:695347", "label": "st-4039884", "lsm": "LSM-4619", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/695347", "FDA_Category_D_L1000_Similarity": 0.0855824, "FDA_Category_X_L1000_Similarity": 0.718496, "FDA_Category_D_and_X_L1000_Similarity": 0.29196, "Placenta_Crossing_L1000_Similarity": 0.839106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NNC(=S)N=C42", "InChI_key": "CMWAFGJNLNZSMR-UHFFFAOYSA-N" } }, "CID:70680411": { "type": "Drug", "properties": { "id": "CID:70680411", "label": "AT1-SHH-29", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680411", "FDA_Category_D_L1000_Similarity": -0.0994073, "FDA_Category_X_L1000_Similarity": 0.647269, "FDA_Category_D_and_X_L1000_Similarity": 0.110877, "Placenta_Crossing_L1000_Similarity": 0.938323, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:70882": { "type": "Drug", "properties": { "id": "CID:70882", "label": "moxaverine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70882", "FDA_Category_D_L1000_Similarity": 0.762143, "FDA_Category_D_Structural_Similarity": -0.690732, "FDA_Category_D_Weighted_Contribution": -0.32934, "FDA_Category_D_Top_Rank": -0.0773811, "FDA_Category_X_L1000_Similarity": -0.255947, "FDA_Category_X_Structural_Similarity": -0.513669, "FDA_Category_X_Weighted_Contribution": -0.67397, "FDA_Category_X_Top_Rank": -0.0890554, "FDA_Category_D_and_X_L1000_Similarity": 0.579253, "FDA_Category_D_and_X_Structural_Similarity": -0.825417, "FDA_Category_D_and_X_Weighted_Contribution": -0.547502, "FDA_Category_D_and_X_Top_Rank": -0.0839925, "Placenta_Crossing_L1000_Similarity": 0.514346, "Placenta_Crossing_Structural_Similarity": -0.817681, "Placenta_Crossing_Weighted_Contribution": -0.594697, "Placenta_Crossing_Top_Rank": -0.0826944, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=NC(=C2C=C(C(=CC2=C1)OC)OC)CC3=CC=CC=C3", "InChI_key": "MYCMTMIGRXJNSO-UHFFFAOYSA-N" } }, "CID:71277": { "type": "Drug", "properties": { "id": "CID:71277", "label": "erythromycin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71277", "FDA_Category_D_L1000_Similarity": -1.52743, "FDA_Category_D_Structural_Similarity": 3.54837, "FDA_Category_D_Weighted_Contribution": 2.61774, "FDA_Category_D_Top_Rank": 0.37942, "FDA_Category_X_L1000_Similarity": 0.806008, "FDA_Category_X_Structural_Similarity": 0.0748367, "FDA_Category_X_Weighted_Contribution": 0.358634, "FDA_Category_X_Top_Rank": -0.0767677, "FDA_Category_D_and_X_L1000_Similarity": -1.0719, "FDA_Category_D_and_X_Structural_Similarity": 2.85677, "FDA_Category_D_and_X_Weighted_Contribution": 2.16914, "FDA_Category_D_and_X_Top_Rank": 0.167798, "Placenta_Crossing_L1000_Similarity": -1.53415, "Placenta_Crossing_Structural_Similarity": 1.28644, "Placenta_Crossing_Weighted_Contribution": 0.351264, "Placenta_Crossing_Top_Rank": -0.0337876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O", "InChI_key": "TYQXKHPOXXXCTP-CSLYCKPJSA-N" } }, "CID:71748056": { "type": "Drug", "properties": { "id": "CID:71748056", "label": "ql-xii-47", "lsm": "LSM-6019", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71748056", "FDA_Category_D_L1000_Similarity": -0.140935, "FDA_Category_X_L1000_Similarity": -2.21924, "FDA_Category_D_and_X_L1000_Similarity": -0.795433, "Placenta_Crossing_L1000_Similarity": -0.849966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC6=C(CCN6C(=O)C=C)C=C5", "InChI_key": "RTRNJQOBEOISFQ-UHFFFAOYSA-N" } }, "CID:71777": { "type": "Drug", "properties": { "id": "CID:71777", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71777", "label": "lufenuron", "FDA_Category_D_L1000_Similarity": -0.841847, "FDA_Category_D_Structural_Similarity": -0.284946, "FDA_Category_D_Weighted_Contribution": -0.744569, "FDA_Category_D_Top_Rank": -0.0911383, "FDA_Category_X_L1000_Similarity": 0.76537, "FDA_Category_X_Structural_Similarity": -0.735062, "FDA_Category_X_Weighted_Contribution": -0.439314, "FDA_Category_X_Top_Rank": -0.077823, "FDA_Category_D_and_X_L1000_Similarity": -0.493256, "FDA_Category_D_and_X_Structural_Similarity": -0.622802, "FDA_Category_D_and_X_Weighted_Contribution": -0.829035, "FDA_Category_D_and_X_Top_Rank": -0.0949548, "Placenta_Crossing_L1000_Similarity": -0.436943, "Placenta_Crossing_Structural_Similarity": -0.364211, "Placenta_Crossing_Weighted_Contribution": -0.616468, "Placenta_Crossing_Top_Rank": -0.0882912, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F", "InChI_key": "PWPJGUXAGUPAHP-UHFFFAOYSA-N" } }, "CID:73707373": { "type": "Drug", "properties": { "id": "CID:73707373", "label": "cot-10b", "lsm": "LSM-6226", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707373", "FDA_Category_D_L1000_Similarity": 1.08251, "FDA_Category_D_Structural_Similarity": -0.386521, "FDA_Category_D_Weighted_Contribution": 0.120078, "FDA_Category_D_Top_Rank": -0.0598909, "FDA_Category_X_L1000_Similarity": -1.35011, "FDA_Category_X_Structural_Similarity": 0.312025, "FDA_Category_X_Weighted_Contribution": -0.449099, "FDA_Category_X_Top_Rank": -0.0692883, "FDA_Category_D_and_X_L1000_Similarity": 0.523141, "FDA_Category_D_and_X_Structural_Similarity": -0.13842, "FDA_Category_D_and_X_Weighted_Contribution": 0.00756522, "FDA_Category_D_and_X_Top_Rank": -0.0852444, "Placenta_Crossing_L1000_Similarity": -0.365477, "Placenta_Crossing_Structural_Similarity": -0.134797, "Placenta_Crossing_Weighted_Contribution": -0.40927, "Placenta_Crossing_Top_Rank": -0.0848865, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=C(C1=CC2=C(S1)C(=NC=C2C3=CC=CC(=C3)C4=CC=CC=C4)N)N", "InChI_key": "SHBWGYKUKOFCKR-UHFFFAOYSA-N" } }, "CID:73707429": { "type": "Drug", "properties": { "id": "CID:73707429", "label": "oligomycin-a", "lsm": "LSM-6197", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707429", "FDA_Category_D_L1000_Similarity": -0.852809, "FDA_Category_D_Structural_Similarity": 0.943934, "FDA_Category_D_Weighted_Contribution": 0.315725, "FDA_Category_D_Top_Rank": -0.053198, "FDA_Category_X_L1000_Similarity": -0.414622, "FDA_Category_X_Structural_Similarity": 0.574005, "FDA_Category_X_Weighted_Contribution": 0.241822, "FDA_Category_X_Top_Rank": -0.0588052, "FDA_Category_D_and_X_L1000_Similarity": -0.861047, "FDA_Category_D_and_X_Structural_Similarity": 1.05894, "FDA_Category_D_and_X_Weighted_Contribution": 0.416816, "FDA_Category_D_and_X_Top_Rank": -0.0494312, "Placenta_Crossing_L1000_Similarity": -0.608005, "Placenta_Crossing_Structural_Similarity": 0.360961, "Placenta_Crossing_Weighted_Contribution": -0.0869967, "Placenta_Crossing_Top_Rank": -0.0735897, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C", "InChI_key": "MNULEGDCPYONBU-JBMMDCLPSA-N" } }, "CID:73707546": { "type": "Drug", "properties": { "id": "CID:73707546", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707546", "label": "Garcinol", "FDA_Category_D_L1000_Similarity": 0.906728, "FDA_Category_D_Structural_Similarity": 0.513006, "FDA_Category_D_Weighted_Contribution": 0.94857, "FDA_Category_D_Top_Rank": -0.070486, "FDA_Category_X_L1000_Similarity": 0.171934, "FDA_Category_X_Structural_Similarity": -0.651657, "FDA_Category_X_Weighted_Contribution": -0.614663, "FDA_Category_X_Top_Rank": -0.0862059, "FDA_Category_D_and_X_L1000_Similarity": 0.833825, "FDA_Category_D_and_X_Structural_Similarity": 0.0555482, "FDA_Category_D_and_X_Weighted_Contribution": 0.36321, "FDA_Category_D_and_X_Top_Rank": -0.0765708, "Placenta_Crossing_L1000_Similarity": 0.883079, "Placenta_Crossing_Structural_Similarity": -0.183467, "Placenta_Crossing_Weighted_Contribution": 0.111462, "Placenta_Crossing_Top_Rank": -0.0740988, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707595": { "type": "Drug", "properties": { "id": "CID:73707595", "label": "avicin-d", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707595", "FDA_Category_D_L1000_Similarity": -0.384064, "FDA_Category_X_L1000_Similarity": -1.26943, "FDA_Category_D_and_X_L1000_Similarity": -0.716571, "Placenta_Crossing_L1000_Similarity": -0.3109, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707614": { "type": "Drug", "properties": { "id": "CID:73707614", "label": "KW-06", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707614", "FDA_Category_D_L1000_Similarity": 0.799116, "FDA_Category_D_Structural_Similarity": -0.941351, "FDA_Category_D_Weighted_Contribution": -0.517208, "FDA_Category_D_Top_Rank": -0.0759166, "FDA_Category_X_L1000_Similarity": -1.31286, "FDA_Category_X_Structural_Similarity": -0.721546, "FDA_Category_X_Weighted_Contribution": -1.16177, "FDA_Category_X_Top_Rank": -0.0916679, "FDA_Category_D_and_X_L1000_Similarity": 0.290158, "FDA_Category_D_and_X_Structural_Similarity": -1.13651, "FDA_Category_D_and_X_Weighted_Contribution": -0.876883, "FDA_Category_D_and_X_Top_Rank": -0.0890981, "Placenta_Crossing_L1000_Similarity": 0.0543667, "Placenta_Crossing_Structural_Similarity": -1.07935, "Placenta_Crossing_Weighted_Contribution": -0.932934, "Placenta_Crossing_Top_Rank": -0.087915, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:755405": { "type": "Drug", "properties": { "id": "CID:755405", "label": "st-056792", "lsm": "LSM-4625", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/755405", "FDA_Category_D_L1000_Similarity": -2.32012, "FDA_Category_D_Structural_Similarity": 3.76574, "FDA_Category_D_Weighted_Contribution": 2.38829, "FDA_Category_D_Top_Rank": 0.449019, "FDA_Category_X_L1000_Similarity": -2.51529, "FDA_Category_X_Structural_Similarity": 0.96491, "FDA_Category_X_Weighted_Contribution": -0.389159, "FDA_Category_X_Top_Rank": -0.042776, "FDA_Category_D_and_X_L1000_Similarity": -2.76383, "FDA_Category_D_and_X_Structural_Similarity": 3.50958, "FDA_Category_D_and_X_Weighted_Contribution": 1.87378, "FDA_Category_D_and_X_Top_Rank": 0.396247, "Placenta_Crossing_L1000_Similarity": -3.02095, "Placenta_Crossing_Structural_Similarity": 1.01198, "Placenta_Crossing_Weighted_Contribution": -0.567327, "Placenta_Crossing_Top_Rank": -0.0495882, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC=CC=C2C(=C1)SC3=NN=C(S3)C", "InChI_key": "FMVZKGYXMKDRSK-UHFFFAOYSA-N" } }, "CID:77991": { "type": "Drug", "properties": { "id": "CID:77991", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID77991", "label": "rivastigmine", "FDA_Category_D_L1000_Similarity": -0.793747, "FDA_Category_D_Structural_Similarity": -0.792921, "FDA_Category_D_Weighted_Contribution": -1.05064, "FDA_Category_D_Top_Rank": -0.0959473, "FDA_Category_X_L1000_Similarity": -0.146479, "FDA_Category_X_Structural_Similarity": -0.50182, "FDA_Category_X_Weighted_Contribution": -0.622155, "FDA_Category_X_Top_Rank": -0.0884954, "FDA_Category_D_and_X_L1000_Similarity": -0.728708, "FDA_Category_D_and_X_Structural_Similarity": -0.900132, "FDA_Category_D_and_X_Weighted_Contribution": -1.07356, "FDA_Category_D_and_X_Top_Rank": -0.0957574, "Placenta_Crossing_L1000_Similarity": 0.611741, "Placenta_Crossing_Structural_Similarity": 0.127324, "Placenta_Crossing_Weighted_Contribution": 0.28071, "Placenta_Crossing_Top_Rank": -0.0793734, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C", "InChI_key": "XSVMFMHYUFZWBK-NSHDSACASA-N" } }, "CID:77999": { "type": "Drug", "properties": { "id": "CID:77999", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID77999", "label": "rosiglitazone", "FDA_Category_D_L1000_Similarity": 0.364443, "FDA_Category_D_Structural_Similarity": 0.475235, "FDA_Category_D_Weighted_Contribution": 0.567765, "FDA_Category_D_Top_Rank": -0.07194, "FDA_Category_X_L1000_Similarity": 2.13972, "FDA_Category_X_Structural_Similarity": 0.819782, "FDA_Category_X_Weighted_Contribution": 1.93901, "FDA_Category_X_Top_Rank": 0.0392334, "FDA_Category_D_and_X_L1000_Similarity": 0.963947, "FDA_Category_D_and_X_Structural_Similarity": 0.819552, "FDA_Category_D_and_X_Weighted_Contribution": 1.24112, "FDA_Category_D_and_X_Top_Rank": -0.0624647, "Placenta_Crossing_L1000_Similarity": 1.43199, "Placenta_Crossing_Structural_Similarity": 0.0938086, "Placenta_Crossing_Weighted_Contribution": 0.673254, "Placenta_Crossing_Top_Rank": -0.0457554, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3", "InChI_key": "YASAKCUCGLMORW-UHFFFAOYSA-N" } }, "CID:78357816": { "type": "Drug", "properties": { "id": "CID:78357816", "label": "seviteronel", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/78357816", "FDA_Category_D_L1000_Similarity": 0.404126, "FDA_Category_D_Structural_Similarity": -0.921911, "FDA_Category_D_Weighted_Contribution": -0.678134, "FDA_Category_D_Top_Rank": -0.0871451, "FDA_Category_X_L1000_Similarity": 1.30361, "FDA_Category_X_Structural_Similarity": -0.592459, "FDA_Category_X_Weighted_Contribution": -0.0649389, "FDA_Category_X_Top_Rank": -0.0589181, "FDA_Category_D_and_X_L1000_Similarity": 0.744248, "FDA_Category_D_and_X_Structural_Similarity": -1.05142, "FDA_Category_D_and_X_Weighted_Contribution": -0.646646, "FDA_Category_D_and_X_Top_Rank": -0.0797968, "Placenta_Crossing_L1000_Similarity": 1.21255, "Placenta_Crossing_Structural_Similarity": -0.91569, "Placenta_Crossing_Weighted_Contribution": -0.393184, "Placenta_Crossing_Top_Rank": -0.0611111, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O", "InChI_key": "ZBRAJOQFSNYJMF-SFHVURJKSA-N" } }, "CID:8215": { "type": "Drug", "properties": { "id": "CID:8215", "label": "AGP-103", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8215", "FDA_Category_D_L1000_Similarity": -0.0489143, "FDA_Category_D_Structural_Similarity": 0.519724, "FDA_Category_D_Weighted_Contribution": 0.363004, "FDA_Category_D_Top_Rank": -0.0703181, "FDA_Category_X_L1000_Similarity": 0.592616, "FDA_Category_X_Structural_Similarity": 0.529343, "FDA_Category_X_Weighted_Contribution": 0.73647, "FDA_Category_X_Top_Rank": -0.0606647, "FDA_Category_D_and_X_L1000_Similarity": 0.137807, "FDA_Category_D_and_X_Structural_Similarity": 0.698143, "FDA_Category_D_and_X_Weighted_Contribution": 0.620862, "FDA_Category_D_and_X_Top_Rank": -0.0671566, "Placenta_Crossing_L1000_Similarity": 0.510267, "Placenta_Crossing_Structural_Similarity": 1.50767, "Placenta_Crossing_Weighted_Contribution": 1.68815, "Placenta_Crossing_Top_Rank": -0.0193935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:8433": { "type": "Drug", "properties": { "id": "CID:8433", "label": "dibenzoylmethane", "lsm": "LSM-2003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8433", "FDA_Category_D_L1000_Similarity": 0.749835, "FDA_Category_D_Structural_Similarity": 1.2888, "FDA_Category_D_Weighted_Contribution": 1.69361, "FDA_Category_D_Top_Rank": -0.0352549, "FDA_Category_X_L1000_Similarity": 0.219207, "FDA_Category_X_Structural_Similarity": 2.35682, "FDA_Category_X_Weighted_Contribution": 2.54403, "FDA_Category_X_Top_Rank": 0.0869939, "FDA_Category_D_and_X_L1000_Similarity": 0.712948, "FDA_Category_D_and_X_Structural_Similarity": 2.29467, "FDA_Category_D_and_X_Weighted_Contribution": 2.57469, "FDA_Category_D_and_X_Top_Rank": 0.0752747, "Placenta_Crossing_L1000_Similarity": 0.606566, "Placenta_Crossing_Structural_Similarity": -0.569653, "Placenta_Crossing_Weighted_Contribution": -0.361268, "Placenta_Crossing_Top_Rank": -0.0808815, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2", "InChI_key": "NZZIMKJIVMHWJC-UHFFFAOYSA-N" } }, "CID:91588": { "type": "Drug", "properties": { "id": "CID:91588", "label": "salsolinol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91588", "FDA_Category_D_L1000_Similarity": 0.612998, "FDA_Category_D_Structural_Similarity": 0.605574, "FDA_Category_D_Weighted_Contribution": 0.862411, "FDA_Category_D_Top_Rank": -0.0673536, "FDA_Category_X_L1000_Similarity": 0.0668491, "FDA_Category_X_Structural_Similarity": 0.148711, "FDA_Category_X_Weighted_Contribution": 0.0547495, "FDA_Category_X_Top_Rank": -0.0753436, "FDA_Category_D_and_X_L1000_Similarity": 0.54872, "FDA_Category_D_and_X_Structural_Similarity": 0.560896, "FDA_Category_D_and_X_Weighted_Contribution": 0.718009, "FDA_Category_D_and_X_Top_Rank": -0.0720898, "Placenta_Crossing_L1000_Similarity": 1.81445, "Placenta_Crossing_Structural_Similarity": 0.179072, "Placenta_Crossing_Weighted_Contribution": 0.970912, "Placenta_Crossing_Top_Rank": 0.00250773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C2=CC(=C(C=C2CCN1)O)O", "InChI_key": "IBRKLUSXDYATLG-LURJTMIESA-N" } }, "CID:941650": { "type": "Drug", "properties": { "id": "CID:941650", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID941650", "label": "thiothixene", "FDA_Category_D_L1000_Similarity": -1.27716, "FDA_Category_D_Structural_Similarity": -0.706026, "FDA_Category_D_Weighted_Contribution": -1.15808, "FDA_Category_D_Top_Rank": -0.0958948, "FDA_Category_X_L1000_Similarity": 2.5054, "FDA_Category_X_Structural_Similarity": -0.566137, "FDA_Category_X_Weighted_Contribution": 0.583944, "FDA_Category_X_Top_Rank": 0.155272, "FDA_Category_D_and_X_L1000_Similarity": -0.340099, "FDA_Category_D_and_X_Structural_Similarity": -0.865867, "FDA_Category_D_and_X_Weighted_Contribution": -0.928191, "FDA_Category_D_and_X_Top_Rank": -0.0944204, "Placenta_Crossing_L1000_Similarity": -2.13198, "Placenta_Crossing_Structural_Similarity": -1.0052, "Placenta_Crossing_Weighted_Contribution": -1.43679, "Placenta_Crossing_Top_Rank": -0.0924314, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C", "InChI_key": "GFBKORZTTCHDGY-UFWORHAWSA-N" } }, "CID:9549213": { "type": "Drug", "properties": { "id": "CID:9549213", "label": "pu-h71", "lsm": "LSM-5492", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9549213", "FDA_Category_D_L1000_Similarity": -1.11294, "FDA_Category_D_Structural_Similarity": 0.890323, "FDA_Category_D_Weighted_Contribution": 0.111552, "FDA_Category_D_Top_Rank": -0.056063, "FDA_Category_X_L1000_Similarity": -0.159876, "FDA_Category_X_Structural_Similarity": 0.861505, "FDA_Category_X_Weighted_Contribution": 0.687243, "FDA_Category_X_Top_Rank": -0.0470768, "FDA_Category_D_and_X_L1000_Similarity": -1.00793, "FDA_Category_D_and_X_Structural_Similarity": 1.17153, "FDA_Category_D_and_X_Weighted_Contribution": 0.447434, "FDA_Category_D_and_X_Top_Rank": -0.0412365, "Placenta_Crossing_L1000_Similarity": -0.209662, "Placenta_Crossing_Structural_Similarity": 2.93337, "Placenta_Crossing_Weighted_Contribution": 2.71364, "Placenta_Crossing_Top_Rank": 0.182232, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N", "InChI_key": "SUPVGFZUWFMATN-UHFFFAOYSA-N" } }, "CID:9592990": { "type": "Drug", "properties": { "id": "CID:9592990", "label": "bas-00535043", "lsm": "LSM-4823", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9592990", "FDA_Category_D_L1000_Similarity": -2.08814, "FDA_Category_D_Structural_Similarity": -0.66594, "FDA_Category_D_Weighted_Contribution": -1.36256, "FDA_Category_D_Top_Rank": -0.0955907, "FDA_Category_X_L1000_Similarity": 2.04113, "FDA_Category_X_Structural_Similarity": 1.44798, "FDA_Category_X_Weighted_Contribution": 2.54686, "FDA_Category_X_Top_Rank": 0.0178334, "FDA_Category_D_and_X_L1000_Similarity": -1.18015, "FDA_Category_D_and_X_Structural_Similarity": 0.252759, "FDA_Category_D_and_X_Weighted_Contribution": -0.47643, "FDA_Category_D_and_X_Top_Rank": -0.0805525, "Placenta_Crossing_L1000_Similarity": -1.76476, "Placenta_Crossing_Structural_Similarity": -0.276476, "Placenta_Crossing_Weighted_Contribution": -1.00489, "Placenta_Crossing_Top_Rank": -0.0871269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5", "InChI_key": "GJSQVQUKCXYAMW-YZSQISJMSA-N" } }, "CID:9690109": { "type": "Drug", "properties": { "id": "CID:9690109", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9690109", "label": "armodafinil", "FDA_Category_D_L1000_Similarity": -0.126245, "FDA_Category_X_L1000_Similarity": 0.907879, "FDA_Category_D_and_X_L1000_Similarity": 0.166879, "Placenta_Crossing_L1000_Similarity": 1.29034, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N", "InChI_key": "YFGHCGITMMYXAQ-LJQANCHMSA-N" } }, "CID:969516": { "type": "Drug", "properties": { "id": "CID:969516", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID969516", "label": "curcumin", "FDA_Category_D_L1000_Similarity": 0.319495, "FDA_Category_D_Structural_Similarity": -0.834205, "FDA_Category_D_Weighted_Contribution": -0.650083, "FDA_Category_D_Top_Rank": -0.0885497, "FDA_Category_X_L1000_Similarity": -0.867383, "FDA_Category_X_Structural_Similarity": -0.653093, "FDA_Category_X_Weighted_Contribution": -0.987216, "FDA_Category_X_Top_Rank": -0.0910286, "FDA_Category_D_and_X_L1000_Similarity": 0.0119993, "FDA_Category_D_and_X_Structural_Similarity": -1.01453, "FDA_Category_D_and_X_Weighted_Contribution": -0.898175, "FDA_Category_D_and_X_Top_Rank": -0.0920937, "Placenta_Crossing_L1000_Similarity": 0.286326, "Placenta_Crossing_Structural_Similarity": -0.548798, "Placenta_Crossing_Weighted_Contribution": -0.476339, "Placenta_Crossing_Top_Rank": -0.0857976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O", "InChI_key": "VFLDPWHFBUODDF-FCXRPNKRSA-N" } }, "CID:9799509": { "type": "Drug", "properties": { "id": "CID:9799509", "label": "er-27319", "lsm": "LSM-2244", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9799509", "FDA_Category_D_L1000_Similarity": 0.469542, "FDA_Category_D_Structural_Similarity": -0.417594, "FDA_Category_D_Weighted_Contribution": -0.241289, "FDA_Category_D_Top_Rank": -0.0858457, "FDA_Category_X_L1000_Similarity": -1.08035, "FDA_Category_X_Structural_Similarity": -0.101702, "FDA_Category_X_Weighted_Contribution": -0.674406, "FDA_Category_X_Top_Rank": -0.0823664, "FDA_Category_D_and_X_L1000_Similarity": 0.0766773, "FDA_Category_D_and_X_Structural_Similarity": -0.386328, "FDA_Category_D_and_X_Weighted_Contribution": -0.424431, "FDA_Category_D_and_X_Top_Rank": -0.0915271, "Placenta_Crossing_L1000_Similarity": -0.674675, "Placenta_Crossing_Structural_Similarity": 0.17052, "Placenta_Crossing_Weighted_Contribution": -0.285193, "Placenta_Crossing_Top_Rank": -0.0785279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C", "InChI_key": "CFPDEQBPNROZDC-UHFFFAOYSA-N" } }, "CID:9801": { "type": "Drug", "properties": { "id": "CID:9801", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9801", "label": "prenylamine", "FDA_Category_D_L1000_Similarity": -0.91139, "FDA_Category_D_Structural_Similarity": -0.542199, "FDA_Category_D_Weighted_Contribution": -0.942033, "FDA_Category_D_Top_Rank": -0.0945596, "FDA_Category_X_L1000_Similarity": -1.5758, "FDA_Category_X_Structural_Similarity": 0.979022, "FDA_Category_X_Weighted_Contribution": 0.0630245, "FDA_Category_X_Top_Rank": -0.0421508, "FDA_Category_D_and_X_L1000_Similarity": -1.26417, "FDA_Category_D_and_X_Structural_Similarity": 0.0979264, "FDA_Category_D_and_X_Weighted_Contribution": -0.629553, "FDA_Category_D_and_X_Top_Rank": -0.0840931, "Placenta_Crossing_L1000_Similarity": -1.14682, "Placenta_Crossing_Structural_Similarity": 0.638996, "Placenta_Crossing_Weighted_Contribution": -0.0827172, "Placenta_Crossing_Top_Rank": -0.0651676, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "IFFPICMESYHZPQ-UHFFFAOYSA-N" } }, "CID:9806489": { "type": "Drug", "properties": { "id": "CID:9806489", "label": "zk-164015", "lsm": "LSM-2085", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9806489", "FDA_Category_D_L1000_Similarity": -2.074, "FDA_Category_D_Structural_Similarity": 0.386521, "FDA_Category_D_Weighted_Contribution": -0.779466, "FDA_Category_D_Top_Rank": -0.0747322, "FDA_Category_X_L1000_Similarity": -1.4498, "FDA_Category_X_Structural_Similarity": 2.42527, "FDA_Category_X_Weighted_Contribution": 1.72677, "FDA_Category_X_Top_Rank": 0.0983861, "FDA_Category_D_and_X_L1000_Similarity": -2.2281, "FDA_Category_D_and_X_Structural_Similarity": 1.61545, "FDA_Category_D_and_X_Weighted_Contribution": 0.208715, "FDA_Category_D_and_X_Top_Rank": -0.00421633, "Placenta_Crossing_L1000_Similarity": -2.83308, "Placenta_Crossing_Structural_Similarity": 0.804455, "Placenta_Crossing_Weighted_Contribution": -0.65104, "Placenta_Crossing_Top_Rank": -0.0594268, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCS(=O)(=O)CCCCCCCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C", "InChI_key": "LYJSJVYJLZOMCD-UHFFFAOYSA-N" } }, "CID:9829523": { "type": "Drug", "properties": { "id": "CID:9829523", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9829523", "label": "midostaurin", "FDA_Category_D_L1000_Similarity": -0.720724, "FDA_Category_D_Structural_Similarity": 0.916442, "FDA_Category_D_Weighted_Contribution": 0.366388, "FDA_Category_D_Top_Rank": -0.0545087, "FDA_Category_X_L1000_Similarity": 0.665832, "FDA_Category_X_Structural_Similarity": -0.655299, "FDA_Category_X_Weighted_Contribution": -0.413671, "FDA_Category_X_Top_Rank": -0.0799093, "FDA_Category_D_and_X_L1000_Similarity": -0.419071, "FDA_Category_D_and_X_Structural_Similarity": 0.373795, "FDA_Category_D_and_X_Weighted_Contribution": -0.00720882, "FDA_Category_D_and_X_Top_Rank": -0.0775917, "Placenta_Crossing_L1000_Similarity": -0.874057, "Placenta_Crossing_Structural_Similarity": 0.991394, "Placenta_Crossing_Weighted_Contribution": 0.391523, "Placenta_Crossing_Top_Rank": -0.05045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC", "InChI_key": "BMGQWWVMWDBQGC-IIFHNQTCSA-N" } }, "CID:9832447": { "type": "Drug", "properties": { "id": "CID:9832447", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9832447", "label": "efatutazone", "FDA_Category_D_L1000_Similarity": 1.31032, "FDA_Category_D_Structural_Similarity": 0.0141479, "FDA_Category_D_Weighted_Contribution": 0.665916, "FDA_Category_D_Top_Rank": -0.0363599, "FDA_Category_X_L1000_Similarity": 0.220977, "FDA_Category_X_Structural_Similarity": 0.399702, "FDA_Category_X_Weighted_Contribution": 0.392685, "FDA_Category_X_Top_Rank": -0.0658189, "FDA_Category_D_and_X_L1000_Similarity": 1.19663, "FDA_Category_D_and_X_Structural_Similarity": 0.226907, "FDA_Category_D_and_X_Weighted_Contribution": 0.748678, "FDA_Category_D_and_X_Top_Rank": -0.054954, "Placenta_Crossing_L1000_Similarity": 1.33638, "Placenta_Crossing_Structural_Similarity": -0.579708, "Placenta_Crossing_Weighted_Contribution": -0.0450641, "Placenta_Crossing_Top_Rank": -0.0533154, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5", "InChI_key": "JCYNMRJCUYVDBC-UHFFFAOYSA-N" } }, "CID:9868037": { "type": "Drug", "properties": { "id": "CID:9868037", "label": "osi-930", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9868037", "FDA_Category_D_L1000_Similarity": 0.548585, "FDA_Category_D_Structural_Similarity": -0.677338, "FDA_Category_D_Weighted_Contribution": -0.422745, "FDA_Category_D_Top_Rank": -0.0839776, "FDA_Category_X_L1000_Similarity": 1.41169, "FDA_Category_X_Structural_Similarity": -0.339102, "FDA_Category_X_Weighted_Contribution": 0.242638, "FDA_Category_X_Top_Rank": -0.0524601, "FDA_Category_D_and_X_L1000_Similarity": 0.901593, "FDA_Category_D_and_X_Structural_Similarity": -0.72059, "FDA_Category_D_and_X_Weighted_Contribution": -0.319312, "FDA_Category_D_and_X_Top_Rank": -0.0739705, "Placenta_Crossing_L1000_Similarity": 1.53777, "Placenta_Crossing_Structural_Similarity": -0.27943, "Placenta_Crossing_Weighted_Contribution": 0.34376, "Placenta_Crossing_Top_Rank": -0.0359438, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F", "InChI_key": "FGTCROZDHDSNIO-UHFFFAOYSA-N" } }, "CID:9910486": { "type": "Drug", "properties": { "id": "CID:9910486", "label": "sb-705498", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9910486", "FDA_Category_D_L1000_Similarity": -0.407484, "FDA_Category_D_Structural_Similarity": -0.811773, "FDA_Category_D_Weighted_Contribution": -0.926087, "FDA_Category_D_Top_Rank": -0.0947449, "FDA_Category_X_L1000_Similarity": 1.90964, "FDA_Category_X_Structural_Similarity": 0.113931, "FDA_Category_X_Weighted_Contribution": 1.0103, "FDA_Category_X_Top_Rank": -0.00371449, "FDA_Category_D_and_X_L1000_Similarity": 0.228665, "FDA_Category_D_and_X_Structural_Similarity": -0.582838, "FDA_Category_D_and_X_Weighted_Contribution": -0.512179, "FDA_Category_D_and_X_Top_Rank": -0.0898646, "Placenta_Crossing_L1000_Similarity": 0.863887, "Placenta_Crossing_Structural_Similarity": -0.167646, "Placenta_Crossing_Weighted_Contribution": 0.117305, "Placenta_Crossing_Top_Rank": -0.0745562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)F", "InChI_key": "JYILLRHXRVTRSH-GFCCVEGCSA-N" } }, "CID:9927531": { "type": "Drug", "properties": { "id": "CID:9927531", "label": "bibr-1532", "lsm": "LSM-6209", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9927531", "FDA_Category_D_L1000_Similarity": 1.89208, "FDA_Category_D_Structural_Similarity": -0.898098, "FDA_Category_D_Weighted_Contribution": 0.0837757, "FDA_Category_D_Top_Rank": 0.116043, "FDA_Category_X_L1000_Similarity": -1.21027, "FDA_Category_X_Structural_Similarity": -0.68619, "FDA_Category_X_Weighted_Contribution": -1.11226, "FDA_Category_X_Top_Rank": -0.0915578, "FDA_Category_D_and_X_L1000_Similarity": 1.26346, "FDA_Category_D_and_X_Structural_Similarity": -1.0831, "FDA_Category_D_and_X_Weighted_Contribution": -0.449601, "FDA_Category_D_and_X_Top_Rank": -0.0503173, "Placenta_Crossing_L1000_Similarity": 1.63056, "Placenta_Crossing_Structural_Similarity": -1.01513, "Placenta_Crossing_Weighted_Contribution": -0.299005, "Placenta_Crossing_Top_Rank": -0.0253506, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2", "InChI_key": "PGFQXGLPJUCTOI-WYMLVPIESA-N" } }, "CID:10081070": { "type": "Drug", "properties": { "id": "CID:10081070", "label": "butyrolactone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10081070", "FDA_Category_D_L1000_Similarity": -0.393116, "FDA_Category_D_Structural_Similarity": -0.413116, "FDA_Category_D_Weighted_Contribution": -0.64727, "FDA_Category_D_Top_Rank": -0.0930907, "FDA_Category_X_L1000_Similarity": 1.46778, "FDA_Category_X_Structural_Similarity": -0.599492, "FDA_Category_X_Weighted_Contribution": 0.00814709, "FDA_Category_X_Top_Rank": -0.0492275, "FDA_Category_D_and_X_L1000_Similarity": 0.106863, "FDA_Category_D_and_X_Structural_Similarity": -0.651379, "FDA_Category_D_and_X_Weighted_Contribution": -0.615434, "FDA_Category_D_and_X_Top_Rank": -0.0912407, "Placenta_Crossing_L1000_Similarity": 0.0343524, "Placenta_Crossing_Structural_Similarity": -0.469794, "Placenta_Crossing_Weighted_Contribution": -0.514755, "Placenta_Crossing_Top_Rank": -0.0880882, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10168": { "type": "Drug", "properties": { "id": "CID:10168", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10168", "label": "rhein", "FDA_Category_D_L1000_Similarity": -0.753211, "FDA_Category_D_Structural_Similarity": 3.36373, "FDA_Category_D_Weighted_Contribution": 2.85009, "FDA_Category_D_Top_Rank": 0.309988, "FDA_Category_X_L1000_Similarity": 0.00857473, "FDA_Category_X_Structural_Similarity": 0.0641936, "FDA_Category_X_Weighted_Contribution": -0.0566326, "FDA_Category_X_Top_Rank": -0.0781687, "FDA_Category_D_and_X_L1000_Similarity": -0.646673, "FDA_Category_D_and_X_Structural_Similarity": 2.70448, "FDA_Category_D_and_X_Weighted_Contribution": 2.25211, "FDA_Category_D_and_X_Top_Rank": 0.137201, "Placenta_Crossing_L1000_Similarity": -0.119114, "Placenta_Crossing_Structural_Similarity": -0.462343, "Placenta_Crossing_Weighted_Contribution": -0.569003, "Placenta_Crossing_Top_Rank": -0.0891047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O", "InChI_key": "FCDLCPWAQCPTKC-UHFFFAOYSA-N" } }, "CID:10251": { "type": "Drug", "properties": { "id": "CID:10251", "label": "flavanone", "lsm": "LSM-1283", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10251", "FDA_Category_D_L1000_Similarity": 0.616168, "FDA_Category_D_Structural_Similarity": -0.706572, "FDA_Category_D_Weighted_Contribution": -0.414236, "FDA_Category_D_Top_Rank": -0.0821664, "FDA_Category_X_L1000_Similarity": -0.533935, "FDA_Category_X_Structural_Similarity": -0.514609, "FDA_Category_X_Weighted_Contribution": -0.778659, "FDA_Category_X_Top_Rank": -0.0900349, "FDA_Category_D_and_X_L1000_Similarity": 0.369005, "FDA_Category_D_and_X_Structural_Similarity": -0.838496, "FDA_Category_D_and_X_Weighted_Contribution": -0.644779, "FDA_Category_D_and_X_Top_Rank": -0.0879449, "Placenta_Crossing_L1000_Similarity": 1.14763, "Placenta_Crossing_Structural_Similarity": -0.889259, "Placenta_Crossing_Weighted_Contribution": -0.398516, "Placenta_Crossing_Top_Rank": -0.0645048, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3", "InChI_key": "ZONYXWQDUYMKFB-UHFFFAOYSA-N" } }, "CID:10311918": { "type": "Drug", "properties": { "id": "CID:10311918", "label": "CTPB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10311918", "FDA_Category_D_L1000_Similarity": 0.231486, "FDA_Category_D_Structural_Similarity": 10.3727, "FDA_Category_D_Weighted_Contribution": 4.50674, "FDA_Category_D_Top_Rank": 9.46747, "FDA_Category_X_L1000_Similarity": -0.42955, "FDA_Category_X_Structural_Similarity": -0.37307, "FDA_Category_X_Weighted_Contribution": -0.632289, "FDA_Category_X_Top_Rank": -0.0877613, "FDA_Category_D_and_X_L1000_Similarity": 0.0691072, "FDA_Category_D_and_X_Structural_Similarity": 8.03167, "FDA_Category_D_and_X_Weighted_Contribution": 4.34277, "FDA_Category_D_and_X_Top_Rank": 8.09957, "Placenta_Crossing_L1000_Similarity": 0.265447, "Placenta_Crossing_Structural_Similarity": 6.51476, "Placenta_Crossing_Weighted_Contribution": 4.27583, "Placenta_Crossing_Top_Rank": 3.28591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10330240": { "type": "Drug", "properties": { "id": "CID:10330240", "label": "vuf-5681", "lsm": "LSM-3381", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10330240", "FDA_Category_D_L1000_Similarity": 1.93754, "FDA_Category_D_Structural_Similarity": -0.277315, "FDA_Category_D_Weighted_Contribution": 0.746887, "FDA_Category_D_Top_Rank": 0.149836, "FDA_Category_X_L1000_Similarity": 0.901507, "FDA_Category_X_Structural_Similarity": -0.182078, "FDA_Category_X_Weighted_Contribution": 0.141953, "FDA_Category_X_Top_Rank": -0.0743482, "FDA_Category_D_and_X_L1000_Similarity": 1.94396, "FDA_Category_D_and_X_Structural_Similarity": -0.318357, "FDA_Category_D_and_X_Weighted_Contribution": 0.616676, "FDA_Category_D_and_X_Top_Rank": 0.074174, "Placenta_Crossing_L1000_Similarity": 2.02874, "Placenta_Crossing_Structural_Similarity": 1.49867, "Placenta_Crossing_Weighted_Contribution": 2.44842, "Placenta_Crossing_Top_Rank": 0.0516677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1CCCC2=CN=CN2", "InChI_key": "YPGRNKJNOSUCLY-UHFFFAOYSA-N" } }, "CID:104865": { "type": "Drug", "properties": { "id": "CID:104865", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/104865", "label": "bosentan", "ref": "LSM-5825", "FDA_Category_D_L1000_Similarity": 1.16075, "FDA_Category_D_Structural_Similarity": -0.609714, "FDA_Category_D_Weighted_Contribution": -0.048795, "FDA_Category_D_Top_Rank": -0.0524935, "FDA_Category_X_L1000_Similarity": -0.551299, "FDA_Category_X_Structural_Similarity": -0.652488, "FDA_Category_X_Weighted_Contribution": -0.882113, "FDA_Category_X_Top_Rank": -0.090194, "FDA_Category_D_and_X_L1000_Similarity": 0.833161, "FDA_Category_D_and_X_Structural_Similarity": -0.836018, "FDA_Category_D_and_X_Weighted_Contribution": -0.444931, "FDA_Category_D_and_X_Top_Rank": -0.0765952, "Placenta_Crossing_L1000_Similarity": 1.75445, "Placenta_Crossing_Structural_Similarity": -0.229053, "Placenta_Crossing_Weighted_Contribution": 0.507165, "Placenta_Crossing_Top_Rank": -0.00747413, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC", "InChI_key": "GJPICJJJRGTNOD-UHFFFAOYSA-N" } }, "CID:1054": { "type": "Drug", "properties": { "id": "CID:1054", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1054", "label": "pyridoxine", "FDA_Category_D_L1000_Similarity": -0.287412, "FDA_Category_D_Structural_Similarity": -0.958084, "FDA_Category_D_Weighted_Contribution": -0.973081, "FDA_Category_D_Top_Rank": -0.0941787, "FDA_Category_X_L1000_Similarity": 0.230517, "FDA_Category_X_Structural_Similarity": -0.710613, "FDA_Category_X_Weighted_Contribution": -0.637956, "FDA_Category_X_Top_Rank": -0.0856477, "FDA_Category_D_and_X_L1000_Similarity": -0.177752, "FDA_Category_D_and_X_Structural_Similarity": -1.14389, "FDA_Category_D_and_X_Weighted_Contribution": -1.03761, "FDA_Category_D_and_X_Top_Rank": -0.0935051, "Placenta_Crossing_L1000_Similarity": -0.711153, "Placenta_Crossing_Structural_Similarity": -1.11686, "Placenta_Crossing_Weighted_Contribution": -1.17141, "Placenta_Crossing_Top_Rank": -0.0913311, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=NC=C(C(=C1O)CO)CO", "InChI_key": "LXNHXLLTXMVWPM-UHFFFAOYSA-N" } }, "CID:107641": { "type": "Drug", "properties": { "id": "CID:107641", "label": "indobufen", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107641", "FDA_Category_D_L1000_Similarity": 0.11476, "FDA_Category_D_Structural_Similarity": 0.110142, "FDA_Category_D_Weighted_Contribution": 0.0525421, "FDA_Category_D_Top_Rank": -0.082273, "FDA_Category_X_L1000_Similarity": 0.576468, "FDA_Category_X_Structural_Similarity": -0.665424, "FDA_Category_X_Weighted_Contribution": -0.460427, "FDA_Category_X_Top_Rank": -0.0813583, "FDA_Category_D_and_X_L1000_Similarity": 0.273991, "FDA_Category_D_and_X_Structural_Similarity": -0.271639, "FDA_Category_D_and_X_Weighted_Contribution": -0.236785, "FDA_Category_D_and_X_Top_Rank": -0.0893394, "Placenta_Crossing_L1000_Similarity": 1.15997, "Placenta_Crossing_Structural_Similarity": 1.37748, "Placenta_Crossing_Weighted_Contribution": 1.89665, "Placenta_Crossing_Top_Rank": -0.0280955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O", "InChI_key": "AYDXAULLCROVIT-UHFFFAOYSA-N" } }, "CID:107935": { "type": "Drug", "properties": { "id": "CID:107935", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107935", "label": "deguelin", "FDA_Category_D_L1000_Similarity": 0.552274, "FDA_Category_D_Structural_Similarity": -0.729063, "FDA_Category_D_Weighted_Contribution": -0.463119, "FDA_Category_D_Top_Rank": -0.0839006, "FDA_Category_X_L1000_Similarity": -1.5356, "FDA_Category_X_Structural_Similarity": -0.349595, "FDA_Category_X_Weighted_Contribution": -1.00683, "FDA_Category_X_Top_Rank": -0.0873644, "FDA_Category_D_and_X_L1000_Similarity": 0.00973144, "FDA_Category_D_and_X_Structural_Similarity": -0.767307, "FDA_Category_D_and_X_Weighted_Contribution": -0.736858, "FDA_Category_D_and_X_Top_Rank": -0.0921145, "Placenta_Crossing_L1000_Similarity": -0.733524, "Placenta_Crossing_Structural_Similarity": -0.0676377, "Placenta_Crossing_Weighted_Contribution": -0.504898, "Placenta_Crossing_Top_Rank": -0.0835799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)C", "InChI_key": "ORDAZKGHSNRHTD-UXHICEINSA-N" } }, "CID:1088438": { "type": "Drug", "properties": { "id": "CID:1088438", "label": "brd-k89306950", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1088438", "FDA_Category_D_L1000_Similarity": 0.307849, "FDA_Category_D_Structural_Similarity": -0.852494, "FDA_Category_D_Weighted_Contribution": -0.668592, "FDA_Category_D_Top_Rank": -0.0887144, "FDA_Category_X_L1000_Similarity": -0.462381, "FDA_Category_X_Structural_Similarity": -0.715488, "FDA_Category_X_Weighted_Contribution": -0.894734, "FDA_Category_X_Top_Rank": -0.0899101, "FDA_Category_D_and_X_L1000_Similarity": 0.124967, "FDA_Category_D_and_X_Structural_Similarity": -1.06271, "FDA_Category_D_and_X_Weighted_Contribution": -0.888716, "FDA_Category_D_and_X_Top_Rank": -0.0910559, "Placenta_Crossing_L1000_Similarity": 0.768131, "Placenta_Crossing_Structural_Similarity": -0.194508, "Placenta_Crossing_Weighted_Contribution": 0.0454206, "Placenta_Crossing_Top_Rank": -0.077224, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N", "InChI_key": "SRFABRWQVPCPRG-UHFFFAOYSA-N" } }, "CID:11219835": { "type": "Drug", "properties": { "id": "CID:11219835", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11219835", "label": "ataluren", "FDA_Category_D_L1000_Similarity": 1.55291, "FDA_Category_D_Structural_Similarity": 0.728289, "FDA_Category_D_Weighted_Contribution": 1.59641, "FDA_Category_D_Top_Rank": 0.00340578, "FDA_Category_X_L1000_Similarity": 1.16302, "FDA_Category_X_Structural_Similarity": -0.240359, "FDA_Category_X_Weighted_Contribution": 0.21611, "FDA_Category_X_Top_Rank": -0.065838, "FDA_Category_D_and_X_L1000_Similarity": 1.69182, "FDA_Category_D_and_X_Structural_Similarity": 0.448356, "FDA_Category_D_and_X_Weighted_Contribution": 1.28056, "FDA_Category_D_and_X_Top_Rank": 0.00780314, "Placenta_Crossing_L1000_Similarity": 1.80385, "Placenta_Crossing_Structural_Similarity": -0.191769, "Placenta_Crossing_Weighted_Contribution": 0.57178, "Placenta_Crossing_Top_Rank": 0.0010276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F", "InChI_key": "OOUGLTULBSNHNF-UHFFFAOYSA-N" } }, "CID:11234049": { "type": "Drug", "properties": { "id": "CID:11234049", "label": "tedizolid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11234049", "FDA_Category_D_L1000_Similarity": 1.18358, "FDA_Category_D_Structural_Similarity": 0.875181, "FDA_Category_D_Weighted_Contribution": 1.52122, "FDA_Category_D_Top_Rank": -0.0505458, "FDA_Category_X_L1000_Similarity": 1.01759, "FDA_Category_X_Structural_Similarity": 0.226952, "FDA_Category_X_Weighted_Contribution": 0.637223, "FDA_Category_X_Top_Rank": -0.0708923, "FDA_Category_D_and_X_L1000_Similarity": 1.32928, "FDA_Category_D_and_X_Structural_Similarity": 0.817105, "FDA_Category_D_and_X_Weighted_Contribution": 1.4573, "FDA_Category_D_and_X_Top_Rank": -0.0442128, "Placenta_Crossing_L1000_Similarity": 1.13608, "Placenta_Crossing_Structural_Similarity": 1.0034, "Placenta_Crossing_Weighted_Contribution": 1.48906, "Placenta_Crossing_Top_Rank": -0.0498933, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CO)F", "InChI_key": "XFALPSLJIHVRKE-GFCCVEGCSA-N" } }, "CID:1126109": { "type": "Drug", "properties": { "id": "CID:1126109", "label": "jx-401", "lsm": "LSM-2097", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1126109", "FDA_Category_D_L1000_Similarity": 1.33334, "FDA_Category_D_Structural_Similarity": -0.628262, "FDA_Category_D_Weighted_Contribution": 0.0288725, "FDA_Category_D_Top_Rank": -0.0341956, "FDA_Category_X_L1000_Similarity": 1.20655, "FDA_Category_X_Structural_Similarity": -0.245578, "FDA_Category_X_Weighted_Contribution": 0.233197, "FDA_Category_X_Top_Rank": -0.0637923, "FDA_Category_D_and_X_L1000_Similarity": 1.51577, "FDA_Category_D_and_X_Structural_Similarity": -0.631173, "FDA_Category_D_and_X_Weighted_Contribution": 0.0670901, "FDA_Category_D_and_X_Top_Rank": -0.0208995, "Placenta_Crossing_L1000_Similarity": 2.04056, "Placenta_Crossing_Structural_Similarity": -0.760352, "Placenta_Crossing_Weighted_Contribution": 0.121371, "Placenta_Crossing_Top_Rank": 0.0537743, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)CC3=CC=CC=C3", "InChI_key": "OMGLGPKQUFSRNN-UHFFFAOYSA-N" } }, "CID:11296282": { "type": "Drug", "properties": { "id": "CID:11296282", "label": "dg-041", "lsm": "LSM-6241", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11296282", "FDA_Category_D_L1000_Similarity": 0.765372, "FDA_Category_D_Structural_Similarity": 1.23933, "FDA_Category_D_Weighted_Contribution": 1.65022, "FDA_Category_D_Top_Rank": -0.0382461, "FDA_Category_X_L1000_Similarity": -0.927464, "FDA_Category_X_Structural_Similarity": 1.36132, "FDA_Category_X_Weighted_Contribution": 0.816048, "FDA_Category_X_Top_Rank": -0.0175579, "FDA_Category_D_and_X_L1000_Similarity": 0.378108, "FDA_Category_D_and_X_Structural_Similarity": 1.71823, "FDA_Category_D_and_X_Weighted_Contribution": 1.84294, "FDA_Category_D_and_X_Top_Rank": 0.00611727, "Placenta_Crossing_L1000_Similarity": 0.0515397, "Placenta_Crossing_Structural_Similarity": 0.070789, "Placenta_Crossing_Weighted_Contribution": -0.0462731, "Placenta_Crossing_Top_Rank": -0.080717, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN(C2=C(C=C(C=C12)F)C=CC(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl", "InChI_key": "BFBTVZNKWXWKNZ-HWKANZROSA-N" } }, "CID:11338033": { "type": "Drug", "properties": { "id": "CID:11338033", "label": "at-7519", "lsm": "LSM-1004", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11338033", "FDA_Category_D_L1000_Similarity": 0.883054, "FDA_Category_D_Structural_Similarity": 0.40089, "FDA_Category_D_Weighted_Contribution": 0.812153, "FDA_Category_D_Top_Rank": -0.0723579, "FDA_Category_X_L1000_Similarity": -1.76362, "FDA_Category_X_Structural_Similarity": 9.08602, "FDA_Category_X_Weighted_Contribution": 4.65793, "FDA_Category_X_Top_Rank": 3.51483, "FDA_Category_D_and_X_L1000_Similarity": 0.22563, "FDA_Category_D_and_X_Structural_Similarity": 5.22097, "FDA_Category_D_and_X_Weighted_Contribution": 4.00103, "FDA_Category_D_and_X_Top_Rank": 1.4488, "Placenta_Crossing_L1000_Similarity": 0.152842, "Placenta_Crossing_Structural_Similarity": 2.90927, "Placenta_Crossing_Weighted_Contribution": 2.84587, "Placenta_Crossing_Top_Rank": 0.172413, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl", "InChI_key": "OVPNQJVDAFNBDN-UHFFFAOYSA-N" } }, "CID:11438771": { "type": "Drug", "properties": { "id": "CID:11438771", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11438771", "label": "basimglurant", "FDA_Category_D_L1000_Similarity": -0.171729, "FDA_Category_D_Structural_Similarity": 0.968365, "FDA_Category_D_Weighted_Contribution": 0.758174, "FDA_Category_D_Top_Rank": -0.0519062, "FDA_Category_X_L1000_Similarity": -1.22185, "FDA_Category_X_Structural_Similarity": -0.401298, "FDA_Category_X_Weighted_Contribution": -0.938847, "FDA_Category_X_Top_Rank": -0.0882232, "FDA_Category_D_and_X_L1000_Similarity": -0.519083, "FDA_Category_D_and_X_Structural_Similarity": 0.552065, "FDA_Category_D_and_X_Weighted_Contribution": 0.107373, "FDA_Category_D_and_X_Top_Rank": -0.0722722, "Placenta_Crossing_L1000_Similarity": -0.610168, "Placenta_Crossing_Structural_Similarity": 0.11387, "Placenta_Crossing_Weighted_Contribution": -0.305582, "Placenta_Crossing_Top_Rank": -0.0796737, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N=C(N1C2=CC=C(C=C2)F)C)C#CC3=CC(=NC=C3)Cl", "InChI_key": "UPZWINBEAHDTLA-UHFFFAOYSA-N" } }, "CID:11442891": { "type": "Drug", "properties": { "id": "CID:11442891", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11442891", "label": "danusertib", "FDA_Category_D_L1000_Similarity": -2.24391, "FDA_Category_D_Structural_Similarity": 0.8294, "FDA_Category_D_Weighted_Contribution": -0.52603, "FDA_Category_D_Top_Rank": -0.0593302, "FDA_Category_X_L1000_Similarity": -0.0668098, "FDA_Category_X_Structural_Similarity": -0.710734, "FDA_Category_X_Weighted_Contribution": -0.751094, "FDA_Category_X_Top_Rank": -0.088036, "FDA_Category_D_and_X_L1000_Similarity": -1.95458, "FDA_Category_D_and_X_Structural_Similarity": 0.274796, "FDA_Category_D_and_X_Weighted_Contribution": -0.777073, "FDA_Category_D_and_X_Top_Rank": -0.0800297, "Placenta_Crossing_L1000_Similarity": -2.33982, "Placenta_Crossing_Structural_Similarity": 0.250311, "Placenta_Crossing_Weighted_Contribution": -0.860297, "Placenta_Crossing_Top_Rank": -0.0765799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)C(C5=CC=CC=C5)OC", "InChI_key": "XKFTZKGMDDZMJI-HSZRJFAPSA-N" } }, "CID:115193": { "type": "Drug", "properties": { "id": "CID:115193", "label": "isofloxythepin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/115193", "FDA_Category_D_L1000_Similarity": -0.499767, "FDA_Category_D_Structural_Similarity": 0.072982, "FDA_Category_D_Weighted_Contribution": -0.308176, "FDA_Category_D_Top_Rank": -0.0833372, "FDA_Category_X_L1000_Similarity": -1.24522, "FDA_Category_X_Structural_Similarity": -0.336926, "FDA_Category_X_Weighted_Contribution": -0.903658, "FDA_Category_X_Top_Rank": -0.0871293, "FDA_Category_D_and_X_L1000_Similarity": -0.808957, "FDA_Category_D_and_X_Structural_Similarity": -0.123877, "FDA_Category_D_and_X_Weighted_Contribution": -0.605012, "FDA_Category_D_and_X_Top_Rank": -0.0888306, "Placenta_Crossing_L1000_Similarity": 0.235844, "Placenta_Crossing_Structural_Similarity": 0.167898, "Placenta_Crossing_Weighted_Contribution": 0.13361, "Placenta_Crossing_Top_Rank": -0.0785641, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11524144": { "type": "Drug", "properties": { "id": "CID:11524144", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11524144", "label": "6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine", "FDA_Category_D_L1000_Similarity": -0.719434, "FDA_Category_D_Structural_Similarity": 1.57674, "FDA_Category_D_Weighted_Contribution": 1.0701, "FDA_Category_D_Top_Rank": -0.00899447, "FDA_Category_X_L1000_Similarity": -2.91619, "FDA_Category_X_Structural_Similarity": 1.77688, "FDA_Category_X_Weighted_Contribution": 0.191451, "FDA_Category_X_Top_Rank": 0.0137746, "FDA_Category_D_and_X_L1000_Similarity": -1.50576, "FDA_Category_D_and_X_Structural_Similarity": 2.21028, "FDA_Category_D_and_X_Weighted_Contribution": 1.24786, "FDA_Category_D_and_X_Top_Rank": 0.0629059, "Placenta_Crossing_L1000_Similarity": -1.4852, "Placenta_Crossing_Structural_Similarity": -0.650062, "Placenta_Crossing_Weighted_Contribution": -1.13323, "Placenta_Crossing_Top_Rank": -0.0909105, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3", "InChI_key": "XHBVYDAKJHETMP-UHFFFAOYSA-N" } }, "CID:11689883": { "type": "Drug", "properties": { "id": "CID:11689883", "label": "omecamtiv mecarbil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11689883", "FDA_Category_D_L1000_Similarity": 0.0503466, "FDA_Category_D_Structural_Similarity": -0.539608, "FDA_Category_D_Weighted_Contribution": -0.546001, "FDA_Category_D_Top_Rank": -0.091747, "FDA_Category_X_L1000_Similarity": 1.0861, "FDA_Category_X_Structural_Similarity": -0.556739, "FDA_Category_X_Weighted_Contribution": -0.134717, "FDA_Category_X_Top_Rank": -0.0685411, "FDA_Category_D_and_X_L1000_Similarity": 0.373232, "FDA_Category_D_and_X_Structural_Similarity": -0.728709, "FDA_Category_D_and_X_Weighted_Contribution": -0.561742, "FDA_Category_D_and_X_Top_Rank": -0.0878409, "Placenta_Crossing_L1000_Similarity": 1.18826, "Placenta_Crossing_Structural_Similarity": -0.274836, "Placenta_Crossing_Weighted_Contribution": 0.172783, "Placenta_Crossing_Top_Rank": -0.0624428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OC", "InChI_key": "RFUBTTPMWSKEIW-UHFFFAOYSA-N" } }, "CID:11691726": { "type": "Drug", "properties": { "id": "CID:11691726", "label": "balapiravir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11691726", "FDA_Category_D_L1000_Similarity": 0.60411, "FDA_Category_D_Structural_Similarity": 2.70624, "FDA_Category_D_Weighted_Contribution": 2.96133, "FDA_Category_D_Top_Rank": 0.166463, "FDA_Category_X_L1000_Similarity": 0.97484, "FDA_Category_X_Structural_Similarity": -0.551101, "FDA_Category_X_Weighted_Contribution": -0.181663, "FDA_Category_X_Top_Rank": -0.0722657, "FDA_Category_D_and_X_L1000_Similarity": 0.816788, "FDA_Category_D_and_X_Structural_Similarity": 1.85061, "FDA_Category_D_and_X_Weighted_Contribution": 2.21999, "FDA_Category_D_and_X_Top_Rank": 0.0196457, "Placenta_Crossing_L1000_Similarity": -0.048478, "Placenta_Crossing_Structural_Similarity": 0.886315, "Placenta_Crossing_Weighted_Contribution": 0.716987, "Placenta_Crossing_Top_Rank": -0.0559237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]", "InChI_key": "VKXWOLCNTHXCLF-DXEZIKHYSA-N" } }, "CID:11705608": { "type": "Drug", "properties": { "id": "CID:11705608", "label": "APD-668", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11705608", "FDA_Category_D_L1000_Similarity": 0.378244, "FDA_Category_D_Structural_Similarity": 1.06569, "FDA_Category_D_Weighted_Contribution": 1.21423, "FDA_Category_D_Top_Rank": -0.0472176, "FDA_Category_X_L1000_Similarity": 2.53981, "FDA_Category_X_Structural_Similarity": 0.1262, "FDA_Category_X_Weighted_Contribution": 1.38362, "FDA_Category_X_Top_Rank": 0.184288, "FDA_Category_D_and_X_L1000_Similarity": 1.09734, "FDA_Category_D_and_X_Structural_Similarity": 0.913948, "FDA_Category_D_and_X_Weighted_Contribution": 1.42197, "FDA_Category_D_and_X_Top_Rank": -0.0572184, "Placenta_Crossing_L1000_Similarity": 1.25322, "Placenta_Crossing_Structural_Similarity": 0.122504, "Placenta_Crossing_Weighted_Contribution": 0.608214, "Placenta_Crossing_Top_Rank": -0.0588597, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11964036": { "type": "Drug", "properties": { "id": "CID:11964036", "label": "ku-0060648", "lsm": "LSM-4935", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11964036", "FDA_Category_D_L1000_Similarity": -2.63955, "FDA_Category_D_Structural_Similarity": -0.434376, "FDA_Category_D_Weighted_Contribution": -1.40004, "FDA_Category_D_Top_Rank": -0.093359, "FDA_Category_X_L1000_Similarity": -1.04588, "FDA_Category_X_Structural_Similarity": 0.151887, "FDA_Category_X_Weighted_Contribution": -0.455795, "FDA_Category_X_Top_Rank": -0.0752773, "FDA_Category_D_and_X_L1000_Similarity": -2.59295, "FDA_Category_D_and_X_Structural_Similarity": -0.262812, "FDA_Category_D_and_X_Weighted_Contribution": -1.27502, "FDA_Category_D_and_X_Top_Rank": -0.0911724, "Placenta_Crossing_L1000_Similarity": -2.88308, "Placenta_Crossing_Structural_Similarity": -0.272242, "Placenta_Crossing_Weighted_Contribution": -1.29362, "Placenta_Crossing_Top_Rank": -0.0870499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)CC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5OC(=CC6=O)N7CCOCC7", "InChI_key": "AATCBLYHOUOCTO-UHFFFAOYSA-N" } }, "CID:11978813": { "type": "Drug", "properties": { "id": "CID:11978813", "label": "brexpiprazole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11978813", "IDG_ID": "5014", "FDA_Category_D_L1000_Similarity": -0.966312, "FDA_Category_D_Structural_Similarity": -0.664046, "FDA_Category_D_Weighted_Contribution": -1.03459, "FDA_Category_D_Top_Rank": -0.0955729, "FDA_Category_X_L1000_Similarity": 1.74511, "FDA_Category_X_Structural_Similarity": -0.41317, "FDA_Category_X_Weighted_Contribution": 0.339556, "FDA_Category_X_Top_Rank": -0.0258976, "FDA_Category_D_and_X_L1000_Similarity": -0.303022, "FDA_Category_D_and_X_Structural_Similarity": -0.750007, "FDA_Category_D_and_X_Weighted_Contribution": -0.842385, "FDA_Category_D_and_X_Top_Rank": -0.0942081, "Placenta_Crossing_L1000_Similarity": 0.27691, "Placenta_Crossing_Structural_Similarity": -0.720606, "Placenta_Crossing_Weighted_Contribution": -0.61219, "Placenta_Crossing_Top_Rank": -0.0859068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4", "InChI_key": "ZKIAIYBUSXZPLP-UHFFFAOYSA-N" } }, "CID:121926": { "type": "Drug", "properties": { "id": "CID:121926", "label": "zk-93423", "lsm": "LSM-2741", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/121926", "FDA_Category_D_L1000_Similarity": -1.22112, "FDA_Category_D_Structural_Similarity": -0.621164, "FDA_Category_D_Weighted_Contribution": -1.09482, "FDA_Category_D_Top_Rank": -0.0952329, "FDA_Category_X_L1000_Similarity": -2.17967, "FDA_Category_X_Structural_Similarity": -0.149167, "FDA_Category_X_Weighted_Contribution": -1.08163, "FDA_Category_X_Top_Rank": -0.0833582, "FDA_Category_D_and_X_L1000_Similarity": -1.71455, "FDA_Category_D_and_X_Structural_Similarity": -0.573516, "FDA_Category_D_and_X_Weighted_Contribution": -1.19017, "FDA_Category_D_and_X_Top_Rank": -0.0946054, "Placenta_Crossing_L1000_Similarity": -2.22745, "Placenta_Crossing_Structural_Similarity": -0.662427, "Placenta_Crossing_Weighted_Contribution": -1.31888, "Placenta_Crossing_Top_Rank": -0.0910028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4", "InChI_key": "ALBKMJDFBZVHAK-UHFFFAOYSA-N" } }, "CID:123606": { "type": "Drug", "properties": { "id": "CID:123606", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123606", "label": "almotriptan", "FDA_Category_D_L1000_Similarity": 0.600248, "FDA_Category_D_Structural_Similarity": -0.710774, "FDA_Category_D_Weighted_Contribution": -0.425358, "FDA_Category_D_Top_Rank": -0.0826524, "FDA_Category_X_L1000_Similarity": -0.103953, "FDA_Category_X_Structural_Similarity": -0.482269, "FDA_Category_X_Weighted_Contribution": -0.589762, "FDA_Category_X_Top_Rank": -0.088265, "FDA_Category_D_and_X_L1000_Similarity": 0.485852, "FDA_Category_D_and_X_Structural_Similarity": -0.824382, "FDA_Category_D_and_X_Weighted_Contribution": -0.586189, "FDA_Category_D_and_X_Top_Rank": -0.0859288, "Placenta_Crossing_L1000_Similarity": 0.138697, "Placenta_Crossing_Structural_Similarity": -0.115467, "Placenta_Crossing_Weighted_Contribution": -0.174818, "Placenta_Crossing_Top_Rank": -0.084481, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3", "InChI_key": "WKEMJKQOLOHJLZ-UHFFFAOYSA-N" } }, "CID:12387471": { "type": "Drug", "properties": { "id": "CID:12387471", "label": "KUC111774N", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12387471", "FDA_Category_D_L1000_Similarity": -1.01759, "FDA_Category_D_Structural_Similarity": 0.350381, "FDA_Category_D_Weighted_Contribution": -0.330253, "FDA_Category_D_Top_Rank": -0.0757086, "FDA_Category_X_L1000_Similarity": -1.87413, "FDA_Category_X_Structural_Similarity": -0.242368, "FDA_Category_X_Weighted_Contribution": -1.0455, "FDA_Category_X_Top_Rank": -0.0853935, "FDA_Category_D_and_X_L1000_Similarity": -1.44633, "FDA_Category_D_and_X_Structural_Similarity": 0.147321, "FDA_Category_D_and_X_Weighted_Contribution": -0.667693, "FDA_Category_D_and_X_Top_Rank": -0.0829245, "Placenta_Crossing_L1000_Similarity": -2.20312, "Placenta_Crossing_Structural_Similarity": 0.616167, "Placenta_Crossing_Weighted_Contribution": -0.552751, "Placenta_Crossing_Top_Rank": -0.0661144, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:124172": { "type": "Drug", "properties": { "id": "CID:124172", "label": "sc-9", "lsm": "LSM-2565", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/124172", "FDA_Category_D_L1000_Similarity": 0.60599, "FDA_Category_D_Structural_Similarity": -0.844016, "FDA_Category_D_Weighted_Contribution": -0.529607, "FDA_Category_D_Top_Rank": -0.0824682, "FDA_Category_X_L1000_Similarity": 0.866751, "FDA_Category_X_Structural_Similarity": -0.559167, "FDA_Category_X_Weighted_Contribution": -0.239052, "FDA_Category_X_Top_Rank": -0.0752678, "FDA_Category_D_and_X_L1000_Similarity": 0.785591, "FDA_Category_D_and_X_Structural_Similarity": -0.971631, "FDA_Category_D_and_X_Weighted_Contribution": -0.570616, "FDA_Category_D_and_X_Top_Rank": -0.0782724, "Placenta_Crossing_L1000_Similarity": 1.12743, "Placenta_Crossing_Structural_Similarity": -0.775926, "Placenta_Crossing_Weighted_Contribution": -0.312619, "Placenta_Crossing_Top_Rank": -0.0655291, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl", "InChI_key": "YUXMTDYHFPRPLG-UHFFFAOYSA-N" } }, "CID:126280": { "type": "Drug", "properties": { "id": "CID:126280", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID126280", "label": "indatraline", "FDA_Category_D_L1000_Similarity": -2.37165, "FDA_Category_D_Structural_Similarity": 0.419422, "FDA_Category_D_Weighted_Contribution": -0.874264, "FDA_Category_D_Top_Rank": -0.0738189, "FDA_Category_X_L1000_Similarity": 1.43784, "FDA_Category_X_Structural_Similarity": -0.722553, "FDA_Category_X_Weighted_Contribution": -0.125066, "FDA_Category_X_Top_Rank": -0.0510418, "FDA_Category_D_and_X_L1000_Similarity": -1.60776, "FDA_Category_D_and_X_Structural_Similarity": -0.0569855, "FDA_Category_D_and_X_Weighted_Contribution": -0.866986, "FDA_Category_D_and_X_Top_Rank": -0.087453, "Placenta_Crossing_L1000_Similarity": -2.5102, "Placenta_Crossing_Structural_Similarity": 0.971102, "Placenta_Crossing_Weighted_Contribution": -0.394647, "Placenta_Crossing_Top_Rank": -0.0516067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC1CC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl", "InChI_key": "SVFXPTLYMIXFRX-XJKSGUPXSA-N" } }, "CID:129009963": { "type": "Drug", "properties": { "id": "CID:129009963", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID129009963", "label": "Cabazitaxel", "FDA_Category_D_L1000_Similarity": 0.42774, "FDA_Category_D_Structural_Similarity": 5.21725, "FDA_Category_D_Weighted_Contribution": 4.13284, "FDA_Category_D_Top_Rank": 1.33246, "FDA_Category_X_L1000_Similarity": -1.36915, "FDA_Category_X_Structural_Similarity": 0.863073, "FDA_Category_X_Weighted_Contribution": 0.0505615, "FDA_Category_X_Top_Rank": -0.0468368, "FDA_Category_D_and_X_L1000_Similarity": -0.0470683, "FDA_Category_D_and_X_Structural_Similarity": 4.60671, "FDA_Category_D_and_X_Weighted_Contribution": 3.75441, "FDA_Category_D_and_X_Top_Rank": 0.980322, "Placenta_Crossing_L1000_Similarity": -1.00691, "Placenta_Crossing_Structural_Similarity": 0.350273, "Placenta_Crossing_Weighted_Contribution": -0.275591, "Placenta_Crossing_Top_Rank": -0.0738359, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:13013971": { "type": "Drug", "properties": { "id": "CID:13013971", "label": "depomedrol", "lsm": "LSM-5985", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13013971", "FDA_Category_D_L1000_Similarity": 0.218802, "FDA_Category_X_L1000_Similarity": 1.76885, "FDA_Category_D_and_X_L1000_Similarity": 0.725781, "Placenta_Crossing_L1000_Similarity": 0.266016, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O", "InChI_key": "PLBHSZGDDKCEHR-OPDLNKLESA-N" } }, "CID:131747": { "type": "Drug", "properties": { "id": "CID:131747", "label": "sr-57227a", "lsm": "LSM-2188", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/131747", "FDA_Category_D_L1000_Similarity": 1.03011, "FDA_Category_D_Structural_Similarity": -0.830845, "FDA_Category_D_Weighted_Contribution": -0.314993, "FDA_Category_D_Top_Rank": -0.0635836, "FDA_Category_X_L1000_Similarity": 1.3481, "FDA_Category_X_Structural_Similarity": -0.682766, "FDA_Category_X_Weighted_Contribution": -0.129915, "FDA_Category_X_Top_Rank": -0.0562109, "FDA_Category_D_and_X_L1000_Similarity": 1.29737, "FDA_Category_D_and_X_Structural_Similarity": -1.02787, "FDA_Category_D_and_X_Weighted_Contribution": -0.389861, "FDA_Category_D_and_X_Top_Rank": -0.0472971, "Placenta_Crossing_L1000_Similarity": 0.470819, "Placenta_Crossing_Structural_Similarity": -0.221521, "Placenta_Crossing_Weighted_Contribution": -0.118921, "Placenta_Crossing_Top_Rank": -0.0834134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1N)C2=NC(=CC=C2)Cl", "InChI_key": "WPVVMKYQOMJPIN-UHFFFAOYSA-N" } }, "CID:132449": { "type": "Drug", "properties": { "id": "CID:132449", "label": "l-690330", "lsm": "LSM-4578", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132449", "FDA_Category_D_L1000_Similarity": 0.619451, "FDA_Category_D_Structural_Similarity": -0.352338, "FDA_Category_D_Weighted_Contribution": -0.103883, "FDA_Category_D_Top_Rank": -0.0820587, "FDA_Category_X_L1000_Similarity": 2.13966, "FDA_Category_X_Structural_Similarity": 0.319365, "FDA_Category_X_Weighted_Contribution": 1.37555, "FDA_Category_X_Top_Rank": 0.0388869, "FDA_Category_D_and_X_L1000_Similarity": 1.18375, "FDA_Category_D_and_X_Structural_Similarity": -0.107327, "FDA_Category_D_and_X_Weighted_Contribution": 0.396623, "FDA_Category_D_and_X_Top_Rank": -0.0559402, "Placenta_Crossing_L1000_Similarity": 1.99672, "Placenta_Crossing_Structural_Similarity": 0.608708, "Placenta_Crossing_Weighted_Contribution": 1.53397, "Placenta_Crossing_Top_Rank": 0.0426837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(OC1=CC=C(C=C1)O)(P(=O)(O)O)P(=O)(O)O", "InChI_key": "JKOCAAWWDVHWKB-UHFFFAOYSA-N" } }, "CID:133633": { "type": "Drug", "properties": { "id": "CID:133633", "label": "l-741626", "lsm": "LSM-2088", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133633", "FDA_Category_D_L1000_Similarity": -0.896243, "FDA_Category_D_Structural_Similarity": -0.449207, "FDA_Category_D_Weighted_Contribution": -0.877288, "FDA_Category_D_Top_Rank": -0.0935354, "FDA_Category_X_L1000_Similarity": 2.68261, "FDA_Category_X_Structural_Similarity": -0.13823, "FDA_Category_X_Weighted_Contribution": 1.16342, "FDA_Category_X_Top_Rank": 0.281003, "FDA_Category_D_and_X_L1000_Similarity": 0.0420823, "FDA_Category_D_and_X_Structural_Similarity": -0.431129, "FDA_Category_D_and_X_Weighted_Contribution": -0.475444, "FDA_Category_D_and_X_Top_Rank": -0.091822, "Placenta_Crossing_L1000_Similarity": -0.724941, "Placenta_Crossing_Structural_Similarity": -0.00240036, "Placenta_Crossing_Weighted_Contribution": -0.449705, "Placenta_Crossing_Top_Rank": -0.0824049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43", "InChI_key": "LLBLNMUONVVVPG-UHFFFAOYSA-N" } }, "CID:135409453": { "type": "Drug", "properties": { "id": "CID:135409453", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135409453", "label": "tegaserod", "FDA_Category_D_L1000_Similarity": -4.13003, "FDA_Category_D_Structural_Similarity": -0.43116, "FDA_Category_D_Weighted_Contribution": -1.67696, "FDA_Category_D_Top_Rank": -0.0933156, "FDA_Category_X_L1000_Similarity": -1.12964, "FDA_Category_X_Structural_Similarity": -0.659007, "FDA_Category_X_Weighted_Contribution": -1.07228, "FDA_Category_X_Top_Rank": -0.0914595, "FDA_Category_D_and_X_L1000_Similarity": -3.9032, "FDA_Category_D_and_X_Structural_Similarity": -0.697815, "FDA_Category_D_and_X_Weighted_Contribution": -1.66236, "FDA_Category_D_and_X_Top_Rank": -0.0954137, "Placenta_Crossing_L1000_Similarity": -4.4174, "Placenta_Crossing_Structural_Similarity": -0.836156, "Placenta_Crossing_Weighted_Contribution": -1.71817, "Placenta_Crossing_Top_Rank": -0.0918997, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC", "InChI_key": "IKBKZGMPCYNSLU-RGVLZGJSSA-N" } }, "CID:135565545": { "type": "Drug", "properties": { "id": "CID:135565545", "label": "pf-477736", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135565545", "FDA_Category_D_L1000_Similarity": -0.0323977, "FDA_Category_D_Structural_Similarity": 0.00508464, "FDA_Category_D_Weighted_Contribution": -0.126085, "FDA_Category_D_Top_Rank": -0.0850965, "FDA_Category_X_L1000_Similarity": -1.49692, "FDA_Category_X_Structural_Similarity": -0.44204, "FDA_Category_X_Weighted_Contribution": -1.05218, "FDA_Category_X_Top_Rank": -0.0889262, "FDA_Category_D_and_X_L1000_Similarity": -0.482521, "FDA_Category_D_and_X_Structural_Similarity": -0.234487, "FDA_Category_D_and_X_Weighted_Contribution": -0.550745, "FDA_Category_D_and_X_Top_Rank": -0.0907242, "Placenta_Crossing_L1000_Similarity": -1.42122, "Placenta_Crossing_Structural_Similarity": -0.665981, "Placenta_Crossing_Weighted_Contribution": -1.12453, "Placenta_Crossing_Top_Rank": -0.0910255, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)C(C5CCCCC5)N)N2", "InChI_key": "NDEXUOWTGYUVGA-LJQANCHMSA-N" } }, "CID:135787369": { "type": "Drug", "properties": { "id": "CID:135787369", "label": "BG-1020", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135787369", "FDA_Category_D_L1000_Similarity": 1.33469, "FDA_Category_D_Structural_Similarity": 1.08919, "FDA_Category_D_Weighted_Contribution": 1.84575, "FDA_Category_D_Top_Rank": -0.0337794, "FDA_Category_X_L1000_Similarity": -0.229778, "FDA_Category_X_Structural_Similarity": 0.709894, "FDA_Category_X_Weighted_Contribution": 0.483324, "FDA_Category_X_Top_Rank": -0.0536687, "FDA_Category_D_and_X_L1000_Similarity": 1.08075, "FDA_Category_D_and_X_Structural_Similarity": 1.24756, "FDA_Category_D_and_X_Weighted_Contribution": 1.76365, "FDA_Category_D_and_X_Top_Rank": -0.0357691, "Placenta_Crossing_L1000_Similarity": 1.03532, "Placenta_Crossing_Structural_Similarity": -0.453942, "Placenta_Crossing_Weighted_Contribution": -0.0698487, "Placenta_Crossing_Top_Rank": -0.0692612, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:139032007": { "type": "Drug", "properties": { "id": "CID:139032007", "label": "avermectin", "lsm": "LSM-5002", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/139032007", "FDA_Category_D_L1000_Similarity": -2.40617, "FDA_Category_D_Structural_Similarity": -0.190223, "FDA_Category_D_Weighted_Contribution": -1.23142, "FDA_Category_D_Top_Rank": -0.0892879, "FDA_Category_X_L1000_Similarity": -2.11727, "FDA_Category_X_Structural_Similarity": -0.377262, "FDA_Category_X_Weighted_Contribution": -1.19392, "FDA_Category_X_Top_Rank": -0.0878338, "FDA_Category_D_and_X_L1000_Similarity": -2.71714, "FDA_Category_D_and_X_Structural_Similarity": -0.354552, "FDA_Category_D_and_X_Weighted_Contribution": -1.34409, "FDA_Category_D_and_X_Top_Rank": -0.0924021, "Placenta_Crossing_L1000_Similarity": -2.86452, "Placenta_Crossing_Structural_Similarity": 0.0963784, "Placenta_Crossing_Weighted_Contribution": -1.10847, "Placenta_Crossing_Top_Rank": -0.0801495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1400": { "type": "Drug", "properties": { "id": "CID:1400", "label": "1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine", "lsm": "LSM-3047", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1400", "FDA_Category_D_L1000_Similarity": -1.02905, "FDA_Category_D_Structural_Similarity": -0.610348, "FDA_Category_D_Weighted_Contribution": -1.02471, "FDA_Category_D_Top_Rank": -0.0951461, "FDA_Category_X_L1000_Similarity": 0.141408, "FDA_Category_X_Structural_Similarity": -0.645063, "FDA_Category_X_Weighted_Contribution": -0.621512, "FDA_Category_X_Top_Rank": -0.0865114, "FDA_Category_D_and_X_L1000_Similarity": -0.844117, "FDA_Category_D_and_X_Structural_Similarity": -0.832515, "FDA_Category_D_and_X_Weighted_Contribution": -1.07197, "FDA_Category_D_and_X_Top_Rank": -0.0959849, "Placenta_Crossing_L1000_Similarity": -0.542281, "Placenta_Crossing_Structural_Similarity": -0.448314, "Placenta_Crossing_Weighted_Contribution": -0.716109, "Placenta_Crossing_Top_Rank": -0.0892194, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)C", "InChI_key": "ZVPDNRVYHLRXLX-UHFFFAOYSA-N" } }, "CID:146570": { "type": "Drug", "properties": { "id": "CID:146570", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/146570", "label": "escitalopram", "ref": "LSM-3569", "FDA_Category_D_L1000_Similarity": 2.29422, "FDA_Category_D_Structural_Similarity": -0.0470117, "FDA_Category_D_Weighted_Contribution": 1.22438, "FDA_Category_D_Top_Rank": 0.462619, "FDA_Category_X_L1000_Similarity": 1.58182, "FDA_Category_X_Structural_Similarity": -0.420516, "FDA_Category_X_Weighted_Contribution": 0.246489, "FDA_Category_X_Top_Rank": -0.041037, "FDA_Category_D_and_X_L1000_Similarity": 2.45802, "FDA_Category_D_and_X_Structural_Similarity": -0.264223, "FDA_Category_D_and_X_Weighted_Contribution": 0.9776, "FDA_Category_D_and_X_Top_Rank": 0.438639, "Placenta_Crossing_L1000_Similarity": 1.92542, "Placenta_Crossing_Structural_Similarity": -0.0653637, "Placenta_Crossing_Weighted_Contribution": 0.769655, "Placenta_Crossing_Top_Rank": 0.0252989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F", "InChI_key": "WSEQXVZVJXJVFP-FQEVSTJZSA-N" } }, "CID:148184": { "type": "Drug", "properties": { "id": "CID:148184", "label": "cx516", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/148184", "FDA_Category_D_L1000_Similarity": 1.07949, "FDA_Category_D_Structural_Similarity": -0.260605, "FDA_Category_D_Weighted_Contribution": 0.242365, "FDA_Category_D_Top_Rank": -0.060182, "FDA_Category_X_L1000_Similarity": 1.08273, "FDA_Category_X_Structural_Similarity": 0.292793, "FDA_Category_X_Weighted_Contribution": 0.746152, "FDA_Category_X_Top_Rank": -0.0686999, "FDA_Category_D_and_X_L1000_Similarity": 1.25934, "FDA_Category_D_and_X_Structural_Similarity": -0.0488559, "FDA_Category_D_and_X_Weighted_Contribution": 0.49895, "FDA_Category_D_and_X_Top_Rank": -0.0507495, "Placenta_Crossing_L1000_Similarity": 2.19912, "Placenta_Crossing_Structural_Similarity": -0.550491, "Placenta_Crossing_Weighted_Contribution": 0.40895, "Placenta_Crossing_Top_Rank": 0.106779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2", "InChI_key": "ANDGGVOPIJEHOF-UHFFFAOYSA-N" } }, "CID:1534": { "type": "Drug", "properties": { "id": "CID:1534", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1534", "label": "aminomethyltransferase", "FDA_Category_D_L1000_Similarity": 1.03437, "FDA_Category_D_Structural_Similarity": -0.827928, "FDA_Category_D_Weighted_Contribution": -0.310356, "FDA_Category_D_Top_Rank": -0.063337, "FDA_Category_X_L1000_Similarity": 0.840773, "FDA_Category_X_Structural_Similarity": 0.180343, "FDA_Category_X_Weighted_Contribution": 0.489967, "FDA_Category_X_Top_Rank": -0.0739931, "FDA_Category_D_and_X_L1000_Similarity": 1.14697, "FDA_Category_D_and_X_Structural_Similarity": -0.559826, "FDA_Category_D_and_X_Weighted_Contribution": -0.0583627, "FDA_Category_D_and_X_Top_Rank": -0.0594452, "Placenta_Crossing_L1000_Similarity": 1.30273, "Placenta_Crossing_Structural_Similarity": -0.444769, "Placenta_Crossing_Weighted_Contribution": 0.0652535, "Placenta_Crossing_Top_Rank": -0.0553175, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCN=C(S1)N", "InChI_key": "BATVOUKHGLKDGQ-UHFFFAOYSA-N" } }, "CID:155806": { "type": "Drug", "properties": { "id": "CID:155806", "label": "mmpx", "lsm": "LSM-3194", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/155806", "FDA_Category_D_L1000_Similarity": 1.66851, "FDA_Category_D_Structural_Similarity": 0.408451, "FDA_Category_D_Weighted_Contribution": 1.32187, "FDA_Category_D_Top_Rank": 0.0326217, "FDA_Category_X_L1000_Similarity": 1.00574, "FDA_Category_X_Structural_Similarity": 0.105475, "FDA_Category_X_Weighted_Contribution": 0.498263, "FDA_Category_X_Top_Rank": -0.0712525, "FDA_Category_D_and_X_L1000_Similarity": 1.74371, "FDA_Category_D_and_X_Structural_Similarity": 0.381107, "FDA_Category_D_and_X_Weighted_Contribution": 1.23969, "FDA_Category_D_and_X_Top_Rank": 0.021239, "Placenta_Crossing_L1000_Similarity": 2.20026, "Placenta_Crossing_Structural_Similarity": 1.25579, "Placenta_Crossing_Weighted_Contribution": 2.30175, "Placenta_Crossing_Top_Rank": 0.108345, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC", "InChI_key": "NBLBCGUCPBXKOV-UHFFFAOYSA-N" } }, "CID:160254": { "type": "Drug", "properties": { "id": "CID:160254", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID160254", "label": "cryptotanshinone", "FDA_Category_D_L1000_Similarity": 0.101956, "FDA_Category_D_Structural_Similarity": -0.472049, "FDA_Category_D_Weighted_Contribution": -0.468514, "FDA_Category_D_Top_Rank": -0.0912794, "FDA_Category_X_L1000_Similarity": 1.24176, "FDA_Category_X_Structural_Similarity": -0.304302, "FDA_Category_X_Weighted_Contribution": 0.190908, "FDA_Category_X_Top_Rank": -0.0622146, "FDA_Category_D_and_X_L1000_Similarity": 0.46499, "FDA_Category_D_and_X_Structural_Similarity": -0.538871, "FDA_Category_D_and_X_Weighted_Contribution": -0.37155, "FDA_Category_D_and_X_Top_Rank": -0.0863274, "Placenta_Crossing_L1000_Similarity": -0.447536, "Placenta_Crossing_Structural_Similarity": -0.770421, "Placenta_Crossing_Weighted_Contribution": -0.899099, "Placenta_Crossing_Top_Rank": -0.0906138, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C", "InChI_key": "GVKKJJOMQCNPGB-JTQLQIEISA-N" } }, "CID:16061185": { "type": "Drug", "properties": { "id": "CID:16061185", "label": "mead-ethanolamide", "lsm": "LSM-2200", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16061185", "FDA_Category_D_L1000_Similarity": 1.43916, "FDA_Category_D_Structural_Similarity": -0.830021, "FDA_Category_D_Weighted_Contribution": -0.101747, "FDA_Category_D_Top_Rank": -0.0189327, "FDA_Category_X_L1000_Similarity": 1.04649, "FDA_Category_X_Structural_Similarity": 0.838844, "FDA_Category_X_Weighted_Contribution": 1.34412, "FDA_Category_X_Top_Rank": -0.0482667, "FDA_Category_D_and_X_L1000_Similarity": 1.55838, "FDA_Category_D_and_X_Structural_Similarity": -0.206162, "FDA_Category_D_and_X_Weighted_Contribution": 0.509512, "FDA_Category_D_and_X_Top_Rank": -0.0142976, "Placenta_Crossing_L1000_Similarity": 1.69157, "Placenta_Crossing_Structural_Similarity": -0.574298, "Placenta_Crossing_Weighted_Contribution": 0.130044, "Placenta_Crossing_Top_Rank": -0.0166552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCC=CCC=CCC=CCCCC(=O)NCCO", "InChI_key": "YKGQBEGMUSSPFY-YOILPLPUSA-N" } }, "CID:16220172": { "type": "Drug", "properties": { "id": "CID:16220172", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16220172", "label": "ivacaftor", "FDA_Category_D_L1000_Similarity": 1.71016, "FDA_Category_D_Structural_Similarity": -0.646171, "FDA_Category_D_Weighted_Contribution": 0.22617, "FDA_Category_D_Top_Rank": 0.0452499, "FDA_Category_X_L1000_Similarity": 2.5233, "FDA_Category_X_Structural_Similarity": 0.189017, "FDA_Category_X_Weighted_Contribution": 1.44581, "FDA_Category_X_Top_Rank": 0.167685, "FDA_Category_D_and_X_L1000_Similarity": 2.24045, "FDA_Category_D_and_X_Structural_Similarity": -0.410882, "FDA_Category_D_and_X_Weighted_Contribution": 0.693452, "FDA_Category_D_and_X_Top_Rank": 0.247069, "Placenta_Crossing_L1000_Similarity": 1.53332, "Placenta_Crossing_Structural_Similarity": -0.84933, "Placenta_Crossing_Weighted_Contribution": -0.19813, "Placenta_Crossing_Top_Rank": -0.0363721, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C", "InChI_key": "PURKAOJPTOLRMP-UHFFFAOYSA-N" } }, "CID:1646": { "type": "Drug", "properties": { "id": "CID:1646", "label": "tramiprosate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1646", "FDA_Category_D_L1000_Similarity": 0.954666, "FDA_Category_D_Structural_Similarity": -0.278905, "FDA_Category_D_Weighted_Contribution": 0.152026, "FDA_Category_D_Top_Rank": -0.0682024, "FDA_Category_X_L1000_Similarity": -0.253996, "FDA_Category_X_Structural_Similarity": 0.107362, "FDA_Category_X_Weighted_Contribution": -0.140842, "FDA_Category_X_Top_Rank": -0.0769322, "FDA_Category_D_and_X_L1000_Similarity": 0.745804, "FDA_Category_D_and_X_Structural_Similarity": -0.163438, "FDA_Category_D_and_X_Weighted_Contribution": 0.101245, "FDA_Category_D_and_X_Top_Rank": -0.0796642, "Placenta_Crossing_L1000_Similarity": 0.40868, "Placenta_Crossing_Structural_Similarity": -0.708676, "Placenta_Crossing_Weighted_Contribution": -0.552642, "Placenta_Crossing_Top_Rank": -0.0843704, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CN)CS(=O)(=O)O", "InChI_key": "SNKZJIOFVMKAOJ-UHFFFAOYSA-N" } }, "CID:166558": { "type": "Drug", "properties": { "id": "CID:166558", "label": "avasimibe", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/166558", "FDA_Category_D_L1000_Similarity": -1.46774, "FDA_Category_D_Structural_Similarity": -0.288639, "FDA_Category_D_Weighted_Contribution": -0.986234, "FDA_Category_D_Top_Rank": -0.0911957, "FDA_Category_X_L1000_Similarity": -2.41307, "FDA_Category_X_Structural_Similarity": -0.459668, "FDA_Category_X_Weighted_Contribution": -1.31252, "FDA_Category_X_Top_Rank": -0.0892065, "FDA_Category_D_and_X_L1000_Similarity": -1.99802, "FDA_Category_D_and_X_Structural_Similarity": -0.477132, "FDA_Category_D_and_X_Weighted_Contribution": -1.22024, "FDA_Category_D_and_X_Top_Rank": -0.0937865, "Placenta_Crossing_L1000_Similarity": -0.302284, "Placenta_Crossing_Structural_Similarity": -0.376933, "Placenta_Crossing_Weighted_Contribution": -0.574712, "Placenta_Crossing_Top_Rank": -0.0884504, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C", "InChI_key": "PTQXTEKSNBVPQJ-UHFFFAOYSA-N" } }, "CID:16736529": { "type": "Drug", "properties": { "id": "CID:16736529", "label": "biib021", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16736529", "FDA_Category_D_L1000_Similarity": -2.32505, "FDA_Category_D_Structural_Similarity": 1.60404, "FDA_Category_D_Weighted_Contribution": 0.11536, "FDA_Category_D_Top_Rank": -0.00463478, "FDA_Category_X_L1000_Similarity": -1.17656, "FDA_Category_X_Structural_Similarity": -0.703077, "FDA_Category_X_Weighted_Contribution": -1.11227, "FDA_Category_X_Top_Rank": -0.0915175, "FDA_Category_D_and_X_L1000_Similarity": -2.36153, "FDA_Category_D_and_X_Structural_Similarity": 0.893769, "FDA_Category_D_and_X_Weighted_Contribution": -0.493051, "FDA_Category_D_and_X_Top_Rank": -0.0584982, "Placenta_Crossing_L1000_Similarity": -1.45345, "Placenta_Crossing_Structural_Similarity": -0.502221, "Placenta_Crossing_Weighted_Contribution": -1.04387, "Placenta_Crossing_Top_Rank": -0.0897257, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N", "InChI_key": "QULDDKSCVCJTPV-UHFFFAOYSA-N" } }, "CID:1830": { "type": "Drug", "properties": { "id": "CID:1830", "label": "5-iodotubercidin", "lsm": "LSM-4349", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1830", "FDA_Category_D_L1000_Similarity": 0.400186, "FDA_Category_D_Structural_Similarity": -0.283216, "FDA_Category_D_Weighted_Contribution": -0.157805, "FDA_Category_D_Top_Rank": -0.0872115, "FDA_Category_X_L1000_Similarity": -1.80689, "FDA_Category_X_Structural_Similarity": -0.674638, "FDA_Category_X_Weighted_Contribution": -1.26862, "FDA_Category_X_Top_Rank": -0.0917558, "FDA_Category_D_and_X_L1000_Similarity": -0.203749, "FDA_Category_D_and_X_Structural_Similarity": -0.588824, "FDA_Category_D_and_X_Weighted_Contribution": -0.695842, "FDA_Category_D_and_X_Top_Rank": -0.0936656, "Placenta_Crossing_L1000_Similarity": -0.469501, "Placenta_Crossing_Structural_Similarity": -0.912706, "Placenta_Crossing_Weighted_Contribution": -0.992649, "Placenta_Crossing_Top_Rank": -0.0906759, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)I", "InChI_key": "WHSIXKUPQCKWBY-UHFFFAOYSA-N" } }, "CID:18721": { "type": "Drug", "properties": { "id": "CID:18721", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID18721", "label": "apigenin", "FDA_Category_D_L1000_Similarity": 0.589623, "FDA_Category_D_Structural_Similarity": -0.299329, "FDA_Category_D_Weighted_Contribution": -0.0711361, "FDA_Category_D_Top_Rank": -0.0829191, "FDA_Category_X_L1000_Similarity": -0.957613, "FDA_Category_X_Structural_Similarity": 1.85958, "FDA_Category_X_Weighted_Contribution": 1.36451, "FDA_Category_X_Top_Rank": 0.0221981, "FDA_Category_D_and_X_L1000_Similarity": 0.217452, "FDA_Category_D_and_X_Structural_Similarity": 0.76584, "FDA_Category_D_and_X_Weighted_Contribution": 0.738209, "FDA_Category_D_and_X_Top_Rank": -0.0648406, "Placenta_Crossing_L1000_Similarity": 0.169503, "Placenta_Crossing_Structural_Similarity": 0.50133, "Placenta_Crossing_Weighted_Contribution": 0.431549, "Placenta_Crossing_Top_Rank": -0.06937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C", "InChI_key": "IVXFOQQPPONQTB-UHFFFAOYSA-N" } }, "CID:198693": { "type": "Drug", "properties": { "id": "CID:198693", "label": "ci-966", "lsm": "LSM-3509", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/198693", "FDA_Category_D_L1000_Similarity": 0.714557, "FDA_Category_D_Structural_Similarity": 2.24292, "FDA_Category_D_Weighted_Contribution": 2.62441, "FDA_Category_D_Top_Rank": 0.0942005, "FDA_Category_X_L1000_Similarity": -0.129223, "FDA_Category_X_Structural_Similarity": -0.579034, "FDA_Category_X_Weighted_Contribution": -0.675468, "FDA_Category_X_Top_Rank": -0.0884002, "FDA_Category_D_and_X_L1000_Similarity": 0.576717, "FDA_Category_D_and_X_Structural_Similarity": 1.46779, "FDA_Category_D_and_X_Weighted_Contribution": 1.69878, "FDA_Category_D_and_X_Top_Rank": -0.0186043, "Placenta_Crossing_L1000_Similarity": 0.0277848, "Placenta_Crossing_Structural_Similarity": -0.336965, "Placenta_Crossing_Weighted_Contribution": -0.411443, "Placenta_Crossing_Top_Rank": -0.0879668, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC(=C1)C(=O)O)CCOC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F", "InChI_key": "CMHQDSBIBSKHFP-UHFFFAOYSA-N" } }, "CID:2075": { "type": "Drug", "properties": { "id": "CID:2075", "label": "aklomide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2075", "FDA_Category_D_L1000_Similarity": 1.45902, "FDA_Category_D_Structural_Similarity": 0.680302, "FDA_Category_D_Weighted_Contribution": 1.48471, "FDA_Category_D_Top_Rank": -0.0170392, "FDA_Category_X_L1000_Similarity": 1.22625, "FDA_Category_X_Structural_Similarity": -0.406374, "FDA_Category_X_Weighted_Contribution": 0.0797508, "FDA_Category_X_Top_Rank": -0.0630438, "FDA_Category_D_and_X_L1000_Similarity": 1.63009, "FDA_Category_D_and_X_Structural_Similarity": 0.320687, "FDA_Category_D_and_X_Weighted_Contribution": 1.10674, "FDA_Category_D_and_X_Top_Rank": -0.00266136, "Placenta_Crossing_L1000_Similarity": 0.776967, "Placenta_Crossing_Structural_Similarity": 0.825001, "Placenta_Crossing_Weighted_Contribution": 1.09989, "Placenta_Crossing_Top_Rank": -0.0586864, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:214346": { "type": "Drug", "properties": { "id": "CID:214346", "label": "BCI-540", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/214346", "FDA_Category_D_L1000_Similarity": 0.810887, "FDA_Category_D_Structural_Similarity": -0.780438, "FDA_Category_D_Weighted_Contribution": -0.380919, "FDA_Category_D_Top_Rank": -0.0753639, "FDA_Category_X_L1000_Similarity": 0.333522, "FDA_Category_X_Structural_Similarity": -0.688352, "FDA_Category_X_Weighted_Contribution": -0.579482, "FDA_Category_X_Top_Rank": -0.0845673, "FDA_Category_D_and_X_L1000_Similarity": 0.800281, "FDA_Category_D_and_X_Structural_Similarity": -0.990876, "FDA_Category_D_and_X_Weighted_Contribution": -0.578884, "FDA_Category_D_and_X_Top_Rank": -0.0777709, "Placenta_Crossing_L1000_Similarity": 0.17105, "Placenta_Crossing_Structural_Similarity": -0.887967, "Placenta_Crossing_Weighted_Contribution": -0.770139, "Placenta_Crossing_Top_Rank": -0.0868855, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:216327": { "type": "Drug", "properties": { "id": "CID:216327", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216327", "label": "senicapoc", "FDA_Category_D_L1000_Similarity": 1.97929, "FDA_Category_D_Structural_Similarity": -0.806977, "FDA_Category_D_Weighted_Contribution": 0.222985, "FDA_Category_D_Top_Rank": 0.178357, "FDA_Category_X_L1000_Similarity": 2.83915, "FDA_Category_X_Structural_Similarity": -0.448883, "FDA_Category_X_Weighted_Contribution": 0.899876, "FDA_Category_X_Top_Rank": 0.373272, "FDA_Category_D_and_X_L1000_Similarity": 2.56838, "FDA_Category_D_and_X_Structural_Similarity": -0.882724, "FDA_Category_D_and_X_Weighted_Contribution": 0.397409, "FDA_Category_D_and_X_Top_Rank": 0.623771, "Placenta_Crossing_L1000_Similarity": 1.47752, "Placenta_Crossing_Structural_Similarity": -1.06779, "Placenta_Crossing_Weighted_Contribution": -0.407661, "Placenta_Crossing_Top_Rank": -0.0420394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C(=O)N", "InChI_key": "SCTZUZTYRMOMKT-UHFFFAOYSA-N" } }, "CID:2170": { "type": "Drug", "properties": { "id": "CID:2170", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2170", "label": "amoxapine", "FDA_Category_D_L1000_Similarity": -0.161116, "FDA_Category_D_Structural_Similarity": 2.04881, "FDA_Category_D_Weighted_Contribution": 1.93367, "FDA_Category_D_Top_Rank": 0.0563785, "FDA_Category_X_L1000_Similarity": 2.40304, "FDA_Category_X_Structural_Similarity": -0.206058, "FDA_Category_X_Weighted_Contribution": 0.927612, "FDA_Category_X_Top_Rank": 0.115393, "FDA_Category_D_and_X_L1000_Similarity": 0.590869, "FDA_Category_D_and_X_Structural_Similarity": 1.51498, "FDA_Category_D_and_X_Weighted_Contribution": 1.75619, "FDA_Category_D_and_X_Top_Rank": -0.0136064, "Placenta_Crossing_L1000_Similarity": -0.583904, "Placenta_Crossing_Structural_Similarity": -0.44275, "Placenta_Crossing_Weighted_Contribution": -0.727046, "Placenta_Crossing_Top_Rank": -0.0891484, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl", "InChI_key": "QWGDMFLQWFTERH-UHFFFAOYSA-N" } }, "CID:21785456": { "type": "Drug", "properties": { "id": "CID:21785456", "label": "ku-c103869", "lsm": "LSM-2028", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/21785456", "FDA_Category_D_L1000_Similarity": 1.6381, "FDA_Category_D_Structural_Similarity": -0.570267, "FDA_Category_D_Weighted_Contribution": 0.259806, "FDA_Category_D_Top_Rank": 0.0247607, "FDA_Category_X_L1000_Similarity": -1.30329, "FDA_Category_X_Structural_Similarity": 0.154789, "FDA_Category_X_Weighted_Contribution": -0.560068, "FDA_Category_X_Top_Rank": -0.0750858, "FDA_Category_D_and_X_L1000_Similarity": 1.01628, "FDA_Category_D_and_X_Structural_Similarity": -0.369105, "FDA_Category_D_and_X_Weighted_Contribution": 0.0502418, "FDA_Category_D_and_X_Top_Rank": -0.0680958, "Placenta_Crossing_L1000_Similarity": 1.87466, "Placenta_Crossing_Structural_Similarity": -0.273691, "Placenta_Crossing_Weighted_Contribution": 0.524053, "Placenta_Crossing_Top_Rank": 0.0156692, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1N2CC3=CC=CC=C3C2=O", "InChI_key": "YCUIAYUVYLNFFS-UHFFFAOYSA-N" } }, "CID:2182": { "type": "Drug", "properties": { "id": "CID:2182", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2182", "label": "anagrelide", "FDA_Category_D_L1000_Similarity": 1.59539, "FDA_Category_D_Structural_Similarity": -0.927119, "FDA_Category_D_Weighted_Contribution": -0.106896, "FDA_Category_D_Top_Rank": 0.0126419, "FDA_Category_X_L1000_Similarity": 0.941891, "FDA_Category_X_Structural_Similarity": -0.751357, "FDA_Category_X_Weighted_Contribution": -0.377214, "FDA_Category_X_Top_Rank": -0.0731934, "FDA_Category_D_and_X_L1000_Similarity": 1.66128, "FDA_Category_D_and_X_Structural_Similarity": -1.1413, "FDA_Category_D_and_X_Weighted_Contribution": -0.314996, "FDA_Category_D_and_X_Top_Rank": 0.00289482, "Placenta_Crossing_L1000_Similarity": 2.78035, "Placenta_Crossing_Structural_Similarity": -0.983657, "Placenta_Crossing_Weighted_Contribution": 0.269949, "Placenta_Crossing_Top_Rank": 0.554056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31", "InChI_key": "OTBXOEAOVRKTNQ-UHFFFAOYSA-N" } }, "CID:2196": { "type": "Drug", "properties": { "id": "CID:2196", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2196", "label": "aniracetam", "FDA_Category_D_L1000_Similarity": 2.1119, "FDA_Category_D_Structural_Similarity": -0.469196, "FDA_Category_D_Weighted_Contribution": 0.65109, "FDA_Category_D_Top_Rank": 0.307037, "FDA_Category_X_L1000_Similarity": 0.899782, "FDA_Category_X_Structural_Similarity": 0.928808, "FDA_Category_X_Weighted_Contribution": 1.363, "FDA_Category_X_Top_Rank": -0.0444119, "FDA_Category_D_and_X_L1000_Similarity": 2.09373, "FDA_Category_D_and_X_Structural_Similarity": 0.128774, "FDA_Category_D_and_X_Weighted_Contribution": 1.17956, "FDA_Category_D_and_X_Top_Rank": 0.149901, "Placenta_Crossing_L1000_Similarity": 2.00797, "Placenta_Crossing_Structural_Similarity": -0.061035, "Placenta_Crossing_Weighted_Contribution": 0.81883, "Placenta_Crossing_Top_Rank": 0.0456839, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C(=O)N2CCCC2=O", "InChI_key": "ZXNRTKGTQJPIJK-UHFFFAOYSA-N" } }, "CID:2286": { "type": "Drug", "properties": { "id": "CID:2286", "label": "bisphenol a diglycidyl ether", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2286", "FDA_Category_D_L1000_Similarity": -0.553447, "FDA_Category_D_Structural_Similarity": -0.629572, "FDA_Category_D_Weighted_Contribution": -0.863999, "FDA_Category_D_Top_Rank": -0.0953157, "FDA_Category_X_L1000_Similarity": 0.00370946, "FDA_Category_X_Structural_Similarity": -0.598439, "FDA_Category_X_Weighted_Contribution": -0.638989, "FDA_Category_X_Top_Rank": -0.0875756, "FDA_Category_D_and_X_L1000_Similarity": -0.475954, "FDA_Category_D_and_X_Structural_Similarity": -0.822615, "FDA_Category_D_and_X_Weighted_Contribution": -0.948109, "FDA_Category_D_and_X_Top_Rank": -0.0949809, "Placenta_Crossing_L1000_Similarity": 0.117263, "Placenta_Crossing_Structural_Similarity": -0.68356, "Placenta_Crossing_Weighted_Contribution": -0.644664, "Placenta_Crossing_Top_Rank": -0.0873849, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4", "InChI_key": "LCFVJGUPQDGYKZ-UHFFFAOYSA-N" } }, "CID:23351218": { "type": "Drug", "properties": { "id": "CID:23351218", "label": "radicicol", "lsm": "LSM-6437", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23351218", "FDA_Category_D_L1000_Similarity": -2.12227, "FDA_Category_D_Structural_Similarity": 0.481548, "FDA_Category_D_Weighted_Contribution": -0.732776, "FDA_Category_D_Top_Rank": -0.0716666, "FDA_Category_X_L1000_Similarity": -1.66684, "FDA_Category_X_Structural_Similarity": -0.543363, "FDA_Category_X_Weighted_Contribution": -1.16119, "FDA_Category_X_Top_Rank": -0.0903925, "FDA_Category_D_and_X_L1000_Similarity": -2.33562, "FDA_Category_D_and_X_Structural_Similarity": 0.0890148, "FDA_Category_D_and_X_Weighted_Contribution": -1.02449, "FDA_Category_D_and_X_Top_Rank": -0.08434, "Placenta_Crossing_L1000_Similarity": -1.8117, "Placenta_Crossing_Structural_Similarity": 1.4764, "Placenta_Crossing_Weighted_Contribution": 0.401, "Placenta_Crossing_Top_Rank": -0.0210825, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1", "InChI_key": "WYZWZEOGROVVHK-VYKNNJQSSA-N" } }, "CID:235382": { "type": "Drug", "properties": { "id": "CID:235382", "label": "sib-1893", "lsm": "LSM-3501", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/235382", "FDA_Category_D_L1000_Similarity": 0.815937, "FDA_Category_D_Structural_Similarity": -0.5081, "FDA_Category_D_Weighted_Contribution": -0.141004, "FDA_Category_D_Top_Rank": -0.0750927, "FDA_Category_X_L1000_Similarity": -1.60153, "FDA_Category_X_Structural_Similarity": -0.367607, "FDA_Category_X_Weighted_Contribution": -1.03863, "FDA_Category_X_Top_Rank": -0.0876644, "FDA_Category_D_and_X_L1000_Similarity": 0.217009, "FDA_Category_D_and_X_Structural_Similarity": -0.601645, "FDA_Category_D_and_X_Weighted_Contribution": -0.531688, "FDA_Category_D_and_X_Top_Rank": -0.0900023, "Placenta_Crossing_L1000_Similarity": -1.59535, "Placenta_Crossing_Structural_Similarity": -0.631331, "Placenta_Crossing_Weighted_Contribution": -1.15254, "Placenta_Crossing_Top_Rank": -0.0907772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=CC=C1)C=CC2=CC=CC=C2", "InChI_key": "SISOFUCTXZKSOQ-UHFFFAOYSA-N" } }, "CID:2355": { "type": "Drug", "properties": { "id": "CID:2355", "label": "bergapten", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2355", "IDG_ID": "3021", "FDA_Category_D_L1000_Similarity": -0.433748, "FDA_Category_D_Structural_Similarity": -0.295765, "FDA_Category_D_Weighted_Contribution": -0.576653, "FDA_Category_D_Top_Rank": -0.091316, "FDA_Category_X_L1000_Similarity": 0.382348, "FDA_Category_X_Structural_Similarity": -0.20019, "FDA_Category_X_Weighted_Contribution": -0.130568, "FDA_Category_X_Top_Rank": -0.0839654, "FDA_Category_D_and_X_L1000_Similarity": -0.257783, "FDA_Category_D_and_X_Structural_Similarity": -0.342774, "FDA_Category_D_and_X_Weighted_Contribution": -0.537262, "FDA_Category_D_and_X_Top_Rank": -0.0922744, "Placenta_Crossing_L1000_Similarity": -0.194087, "Placenta_Crossing_Structural_Similarity": 3.86674, "Placenta_Crossing_Weighted_Contribution": 3.39205, "Placenta_Crossing_Top_Rank": 0.47165, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C2C=CC(=O)OC2=CC3=C1C=CO3", "InChI_key": "BGEBZHIAGXMEMV-UHFFFAOYSA-N" } }, "CID:23777784": { "type": "Drug", "properties": { "id": "CID:23777784", "label": "ugiss-186", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23777784", "FDA_Category_D_L1000_Similarity": 1.33356, "FDA_Category_D_Structural_Similarity": -0.561219, "FDA_Category_D_Weighted_Contribution": 0.0932475, "FDA_Category_D_Top_Rank": -0.0340297, "FDA_Category_X_L1000_Similarity": -1.78717, "FDA_Category_X_Structural_Similarity": -0.598734, "FDA_Category_X_Weighted_Contribution": -1.22414, "FDA_Category_X_Top_Rank": -0.0910613, "FDA_Category_D_and_X_L1000_Similarity": 0.606808, "FDA_Category_D_and_X_Structural_Similarity": -0.768522, "FDA_Category_D_and_X_Weighted_Contribution": -0.491755, "FDA_Category_D_and_X_Top_Rank": -0.0833049, "Placenta_Crossing_L1000_Similarity": 0.133021, "Placenta_Crossing_Structural_Similarity": -0.0321086, "Placenta_Crossing_Weighted_Contribution": -0.102586, "Placenta_Crossing_Top_Rank": -0.0829344, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC=CC2C(C3C(=O)N(C4C3(O2)C=CCN(C4=O)C(C)(C)C)CCCO)C(=O)O1", "InChI_key": "HEHTZOHUEZAKJK-FYOULYMHSA-N" } }, "CID:23789069": { "type": "Drug", "properties": { "id": "CID:23789069", "label": "nitrarine", "lsm": "LSM-1674", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23789069", "FDA_Category_D_L1000_Similarity": -0.246159, "FDA_Category_D_Structural_Similarity": -0.332005, "FDA_Category_D_Weighted_Contribution": -0.519378, "FDA_Category_D_Top_Rank": -0.0919335, "FDA_Category_X_L1000_Similarity": 1.5712, "FDA_Category_X_Structural_Similarity": -0.462081, "FDA_Category_X_Weighted_Contribution": 0.19816, "FDA_Category_X_Top_Rank": -0.0420933, "FDA_Category_D_and_X_L1000_Similarity": 0.264951, "FDA_Category_D_and_X_Structural_Similarity": -0.512854, "FDA_Category_D_and_X_Weighted_Contribution": -0.44123, "FDA_Category_D_and_X_Top_Rank": -0.0894433, "Placenta_Crossing_L1000_Similarity": 0.687295, "Placenta_Crossing_Structural_Similarity": -0.711274, "Placenta_Crossing_Weighted_Contribution": -0.443627, "Placenta_Crossing_Top_Rank": -0.0792128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2C3CCC(C2NC1)C4N3CCC5=C4NC6=CC=CC=C56", "InChI_key": "SBGPASZOVGSOFJ-ZOWGRLGGSA-N" } }, "CID:23844163": { "type": "Drug", "properties": { "id": "CID:23844163", "label": "nk42-i-109-1", "lsm": "LSM-4456", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23844163", "FDA_Category_D_L1000_Similarity": 1.10176, "FDA_Category_X_L1000_Similarity": 1.95311, "FDA_Category_D_and_X_L1000_Similarity": 1.54286, "Placenta_Crossing_L1000_Similarity": 1.64462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC1=CC=CC=C1)CC(CC(C2=CC=CC=C2)O)O", "InChI_key": "VBJQDHGYODLBBC-UHFFFAOYSA-N" } }, "CID:23897": { "type": "Drug", "properties": { "id": "CID:23897", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID23897", "label": "molindone", "FDA_Category_D_L1000_Similarity": 0.628213, "FDA_Category_D_Structural_Similarity": -0.382021, "FDA_Category_D_Weighted_Contribution": -0.126323, "FDA_Category_D_Top_Rank": -0.0818557, "FDA_Category_X_L1000_Similarity": -0.241224, "FDA_Category_X_Structural_Similarity": -0.433571, "FDA_Category_X_Weighted_Contribution": -0.605684, "FDA_Category_X_Top_Rank": -0.0887621, "FDA_Category_D_and_X_L1000_Similarity": 0.468278, "FDA_Category_D_and_X_Structural_Similarity": -0.537169, "FDA_Category_D_and_X_Weighted_Contribution": -0.368639, "FDA_Category_D_and_X_Top_Rank": -0.0862639, "Placenta_Crossing_L1000_Similarity": 0.932282, "Placenta_Crossing_Structural_Similarity": -0.88701, "Placenta_Crossing_Weighted_Contribution": -0.484666, "Placenta_Crossing_Top_Rank": -0.0726879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C", "InChI_key": "KLPWJLBORRMFGK-UHFFFAOYSA-N" } }, "CID:24113957": { "type": "Drug", "properties": { "id": "CID:24113957", "label": "h-9", "lsm": "LSM-5271", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24113957", "FDA_Category_D_L1000_Similarity": 1.12236, "FDA_Category_D_Structural_Similarity": -0.771743, "FDA_Category_D_Weighted_Contribution": -0.216481, "FDA_Category_D_Top_Rank": -0.0561016, "FDA_Category_X_L1000_Similarity": 0.459992, "FDA_Category_X_Structural_Similarity": -0.604703, "FDA_Category_X_Weighted_Contribution": -0.458368, "FDA_Category_X_Top_Rank": -0.0829993, "FDA_Category_D_and_X_L1000_Similarity": 1.10719, "FDA_Category_D_and_X_Structural_Similarity": -0.938838, "FDA_Category_D_and_X_Weighted_Contribution": -0.404137, "FDA_Category_D_and_X_Top_Rank": -0.0621468, "Placenta_Crossing_L1000_Similarity": 1.31583, "Placenta_Crossing_Structural_Similarity": -0.614423, "Placenta_Crossing_Weighted_Contribution": -0.0864573, "Placenta_Crossing_Top_Rank": -0.0544462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CN=C2)C(=C1)CNCCN", "InChI_key": "YVVIHNCTCNPFJM-UHFFFAOYSA-N" } }, "CID:24747213": { "type": "Drug", "properties": { "id": "CID:24747213", "label": "psh-008", "lsm": "LSM-4020", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747213", "FDA_Category_D_L1000_Similarity": 0.418547, "FDA_Category_D_Structural_Similarity": -0.465371, "FDA_Category_D_Weighted_Contribution": -0.308693, "FDA_Category_D_Top_Rank": -0.0868597, "FDA_Category_X_L1000_Similarity": 1.06814, "FDA_Category_X_Structural_Similarity": -0.668983, "FDA_Category_X_Weighted_Contribution": -0.247311, "FDA_Category_X_Top_Rank": -0.0692579, "FDA_Category_D_and_X_L1000_Similarity": 0.685172, "FDA_Category_D_and_X_Structural_Similarity": -0.730352, "FDA_Category_D_and_X_Weighted_Contribution": -0.426777, "FDA_Category_D_and_X_Top_Rank": -0.0816103, "Placenta_Crossing_L1000_Similarity": -0.714031, "Placenta_Crossing_Structural_Similarity": -1.07183, "Placenta_Crossing_Weighted_Contribution": -1.14913, "Placenta_Crossing_Top_Rank": -0.0913428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)CN2C(=O)C3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45", "InChI_key": "XLHDISIHIXXBEP-LJQANCHMSA-N" } }, "CID:24772043": { "type": "Drug", "properties": { "id": "CID:24772043", "label": "tenovin-6", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24772043", "FDA_Category_D_L1000_Similarity": -2.10253, "FDA_Category_D_Structural_Similarity": 1.26792, "FDA_Category_D_Weighted_Contribution": -0.0796758, "FDA_Category_D_Top_Rank": -0.0363599, "FDA_Category_X_L1000_Similarity": 1.26209, "FDA_Category_X_Structural_Similarity": -0.625583, "FDA_Category_X_Weighted_Contribution": -0.116505, "FDA_Category_X_Top_Rank": -0.061096, "FDA_Category_D_and_X_L1000_Similarity": -1.42914, "FDA_Category_D_and_X_Structural_Similarity": 0.668801, "FDA_Category_D_and_X_Weighted_Contribution": -0.249068, "FDA_Category_D_and_X_Top_Rank": -0.068412, "Placenta_Crossing_L1000_Similarity": -2.68917, "Placenta_Crossing_Structural_Similarity": -1.00523, "Placenta_Crossing_Weighted_Contribution": -1.53375, "Placenta_Crossing_Top_Rank": -0.0924728, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25033539": { "type": "Drug", "properties": { "id": "CID:25033539", "label": "pf-04691502", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25033539", "FDA_Category_D_L1000_Similarity": -3.24161, "FDA_Category_D_Structural_Similarity": -0.70584, "FDA_Category_D_Weighted_Contribution": -1.61196, "FDA_Category_D_Top_Rank": -0.0958921, "FDA_Category_X_L1000_Similarity": -0.948382, "FDA_Category_X_Structural_Similarity": -0.585939, "FDA_Category_X_Weighted_Contribution": -0.970094, "FDA_Category_X_Top_Rank": -0.0909141, "FDA_Category_D_and_X_L1000_Similarity": -3.08234, "FDA_Category_D_and_X_Structural_Similarity": -0.876405, "FDA_Category_D_and_X_Weighted_Contribution": -1.59078, "FDA_Category_D_and_X_Top_Rank": -0.0962903, "Placenta_Crossing_L1000_Similarity": -2.69063, "Placenta_Crossing_Structural_Similarity": -0.496275, "Placenta_Crossing_Weighted_Contribution": -1.3481, "Placenta_Crossing_Top_Rank": -0.0896401, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "XDLYKKIQACFMJG-WKILWMFISA-N" } }, "CID:25161177": { "type": "Drug", "properties": { "id": "CID:25161177", "label": "tak-580", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25161177", "FDA_Category_D_L1000_Similarity": -0.912658, "FDA_Category_D_Structural_Similarity": 3.94181, "FDA_Category_D_Weighted_Contribution": 3.21933, "FDA_Category_D_Top_Rank": 0.507758, "FDA_Category_X_L1000_Similarity": -0.697253, "FDA_Category_X_Structural_Similarity": -0.275387, "FDA_Category_X_Weighted_Contribution": -0.660525, "FDA_Category_X_Top_Rank": -0.0860483, "FDA_Category_D_and_X_L1000_Similarity": -0.998471, "FDA_Category_D_and_X_Structural_Similarity": 2.98007, "FDA_Category_D_and_X_Weighted_Contribution": 2.32631, "FDA_Category_D_and_X_Top_Rank": 0.202374, "Placenta_Crossing_L1000_Similarity": -1.08031, "Placenta_Crossing_Structural_Similarity": 3.24239, "Placenta_Crossing_Weighted_Contribution": 2.59878, "Placenta_Crossing_Top_Rank": 0.270026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl", "InChI_key": "VWMJHAFYPMOMGF-ZCFIWIBFSA-N" } }, "CID:2520": { "type": "Drug", "properties": { "id": "CID:2520", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2520", "label": "verapamil", "FDA_Category_D_L1000_Similarity": 1.42738, "FDA_Category_D_Structural_Similarity": -0.541371, "FDA_Category_D_Weighted_Contribution": 0.166094, "FDA_Category_D_Top_Rank": -0.0212148, "FDA_Category_X_L1000_Similarity": 3.05743, "FDA_Category_X_Structural_Similarity": 1.38107, "FDA_Category_X_Weighted_Contribution": 2.95873, "FDA_Category_X_Top_Rank": 0.596806, "FDA_Category_D_and_X_L1000_Similarity": 2.15891, "FDA_Category_D_and_X_Structural_Similarity": 0.315524, "FDA_Category_D_and_X_Weighted_Contribution": 1.41841, "FDA_Category_D_and_X_Top_Rank": 0.181206, "Placenta_Crossing_L1000_Similarity": 2.71574, "Placenta_Crossing_Structural_Similarity": -0.542752, "Placenta_Crossing_Weighted_Contribution": 0.688735, "Placenta_Crossing_Top_Rank": 0.483908, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC", "InChI_key": "SGTNSNPWRIOYBX-UHFFFAOYSA-N" } }, "CID:25262792": { "type": "Drug", "properties": { "id": "CID:25262792", "label": "vistusertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25262792", "FDA_Category_D_L1000_Similarity": -2.65943, "FDA_Category_X_L1000_Similarity": -2.03824, "FDA_Category_D_and_X_L1000_Similarity": -2.91145, "Placenta_Crossing_L1000_Similarity": -2.45292, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOCC5C", "InChI_key": "JUSFANSTBFGBAF-IRXDYDNUSA-N" } }, "CID:25429": { "type": "Drug", "properties": { "id": "CID:25429", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25429", "label": "carbendazim", "FDA_Category_D_L1000_Similarity": 0.636511, "FDA_Category_D_Structural_Similarity": -0.412632, "FDA_Category_D_Weighted_Contribution": -0.1497, "FDA_Category_D_Top_Rank": -0.0815681, "FDA_Category_X_L1000_Similarity": -0.447695, "FDA_Category_X_Structural_Similarity": -0.383841, "FDA_Category_X_Weighted_Contribution": -0.647787, "FDA_Category_X_Top_Rank": -0.0879479, "FDA_Category_D_and_X_L1000_Similarity": 0.412726, "FDA_Category_D_and_X_Structural_Similarity": -0.534631, "FDA_Category_D_and_X_Weighted_Contribution": -0.392027, "FDA_Category_D_and_X_Top_Rank": -0.0872774, "Placenta_Crossing_L1000_Similarity": 1.07449, "Placenta_Crossing_Structural_Similarity": -0.754796, "Placenta_Crossing_Weighted_Contribution": -0.317464, "Placenta_Crossing_Top_Rank": -0.067455, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=NC2=CC=CC=C2N1", "InChI_key": "TWFZGCMQGLPBSX-UHFFFAOYSA-N" } }, "CID:2549": { "type": "Drug", "properties": { "id": "CID:2549", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2549", "label": "capsazepine", "ref": "LSM-2983", "FDA_Category_D_L1000_Similarity": -2.59643, "FDA_Category_D_Structural_Similarity": -0.75237, "FDA_Category_D_Weighted_Contribution": -1.50854, "FDA_Category_D_Top_Rank": -0.0962272, "FDA_Category_X_L1000_Similarity": -0.673562, "FDA_Category_X_Structural_Similarity": 0.000811624, "FDA_Category_X_Weighted_Contribution": -0.425799, "FDA_Category_X_Top_Rank": -0.0797393, "FDA_Category_D_and_X_L1000_Similarity": -2.44271, "FDA_Category_D_and_X_Structural_Similarity": -0.596728, "FDA_Category_D_and_X_Weighted_Contribution": -1.37953, "FDA_Category_D_and_X_Top_Rank": -0.0947683, "Placenta_Crossing_L1000_Similarity": -2.59969, "Placenta_Crossing_Structural_Similarity": -0.532881, "Placenta_Crossing_Weighted_Contribution": -1.34412, "Placenta_Crossing_Top_Rank": -0.0899763, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC(=C(C=C2CN(C1)C(=NCCC3=CC=C(C=C3)Cl)S)O)O", "InChI_key": "DRCMAZOSEIMCHM-UHFFFAOYSA-N" } }, "CID:2562": { "type": "Drug", "properties": { "id": "CID:2562", "label": "pentoxyverine", "lsm": "LSM-5240", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2562", "IDG_ID": "494", "FDA_Category_D_L1000_Similarity": 1.54632, "FDA_Category_D_Structural_Similarity": 0.594986, "FDA_Category_D_Weighted_Contribution": 1.44746, "FDA_Category_D_Top_Rank": 0.00165608, "FDA_Category_X_L1000_Similarity": -0.26526, "FDA_Category_X_Structural_Similarity": 0.714552, "FDA_Category_X_Weighted_Contribution": 0.469214, "FDA_Category_X_Top_Rank": -0.0533955, "FDA_Category_D_and_X_L1000_Similarity": 1.2524, "FDA_Category_D_and_X_Structural_Similarity": 0.857817, "FDA_Category_D_and_X_Weighted_Contribution": 1.45477, "FDA_Category_D_and_X_Top_Rank": -0.0513148, "Placenta_Crossing_L1000_Similarity": 0.977636, "Placenta_Crossing_Structural_Similarity": 1.03551, "Placenta_Crossing_Weighted_Contribution": 1.43719, "Placenta_Crossing_Top_Rank": -0.0483281, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2", "InChI_key": "CFJMRBQWBDQYMK-UHFFFAOYSA-N" } }, "CID:2662": { "type": "Drug", "properties": { "id": "CID:2662", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2662", "label": "celecoxib", "ref": "LSM-2032", "FDA_Category_D_L1000_Similarity": 0.453377, "FDA_Category_D_Structural_Similarity": -0.297036, "FDA_Category_D_Weighted_Contribution": -0.142133, "FDA_Category_D_Top_Rank": -0.0861775, "FDA_Category_X_L1000_Similarity": 0.295717, "FDA_Category_X_Structural_Similarity": 1.20377, "FDA_Category_X_Weighted_Contribution": 1.33183, "FDA_Category_X_Top_Rank": -0.0279459, "FDA_Category_D_and_X_L1000_Similarity": 0.480628, "FDA_Category_D_and_X_Structural_Similarity": 0.413786, "FDA_Category_D_and_X_Weighted_Contribution": 0.525705, "FDA_Category_D_and_X_Top_Rank": -0.0764605, "Placenta_Crossing_L1000_Similarity": 0.565183, "Placenta_Crossing_Structural_Similarity": -0.468135, "Placenta_Crossing_Weighted_Contribution": -0.293449, "Placenta_Crossing_Top_Rank": -0.0818024, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F", "InChI_key": "RZEKVGVHFLEQIL-UHFFFAOYSA-N" } }, "CID:2777": { "type": "Drug", "properties": { "id": "CID:2777", "label": "cl-82198", "lsm": "LSM-1992", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2777", "FDA_Category_D_L1000_Similarity": 0.117983, "FDA_Category_D_Structural_Similarity": 0.359913, "FDA_Category_D_Weighted_Contribution": 0.300025, "FDA_Category_D_Top_Rank": -0.0754041, "FDA_Category_X_L1000_Similarity": 0.91466, "FDA_Category_X_Structural_Similarity": 0.0562125, "FDA_Category_X_Weighted_Contribution": 0.39655, "FDA_Category_X_Top_Rank": -0.074046, "FDA_Category_D_and_X_L1000_Similarity": 0.379467, "FDA_Category_D_and_X_Structural_Similarity": 0.315999, "FDA_Category_D_and_X_Weighted_Contribution": 0.368973, "FDA_Category_D_and_X_Top_Rank": -0.0789884, "Placenta_Crossing_L1000_Similarity": 1.65749, "Placenta_Crossing_Structural_Similarity": 0.191938, "Placenta_Crossing_Weighted_Contribution": 0.899207, "Placenta_Crossing_Top_Rank": -0.0215207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2", "InChI_key": "KUJQEQAVMNFFAO-UHFFFAOYSA-N" } }, "CID:2802": { "type": "Drug", "properties": { "id": "CID:2802", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2802", "label": "clonazepam", "FDA_Category_D_L1000_Similarity": 2.56197, "FDA_Category_D_Structural_Similarity": 3.1525, "FDA_Category_D_Weighted_Contribution": 3.88089, "FDA_Category_D_Top_Rank": 1.04534, "FDA_Category_X_L1000_Similarity": 0.332306, "FDA_Category_X_Structural_Similarity": -0.0380634, "FDA_Category_X_Weighted_Contribution": 0.00150612, "FDA_Category_X_Top_Rank": -0.0806641, "FDA_Category_D_and_X_L1000_Similarity": 2.30938, "FDA_Category_D_and_X_Structural_Similarity": 2.48164, "FDA_Category_D_and_X_Weighted_Contribution": 3.36426, "FDA_Category_D_and_X_Top_Rank": 0.295695, "Placenta_Crossing_L1000_Similarity": 2.68146, "Placenta_Crossing_Structural_Similarity": 5.10805, "Placenta_Crossing_Weighted_Contribution": 4.2532, "Placenta_Crossing_Top_Rank": 1.10496, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl", "InChI_key": "DGBIGWXXNGSACT-UHFFFAOYSA-N" } }, "CID:2803": { "type": "Drug", "properties": { "id": "CID:2803", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2803", "label": "clonidine", "ref": "LSM-4223", "FDA_Category_D_L1000_Similarity": 1.63787, "FDA_Category_D_Structural_Similarity": -0.92283, "FDA_Category_D_Weighted_Contribution": -0.0800694, "FDA_Category_D_Top_Rank": 0.0244765, "FDA_Category_X_L1000_Similarity": 2.20122, "FDA_Category_X_Structural_Similarity": -0.745731, "FDA_Category_X_Weighted_Contribution": 0.2307, "FDA_Category_X_Top_Rank": 0.0513277, "FDA_Category_D_and_X_L1000_Similarity": 2.08034, "FDA_Category_D_and_X_Structural_Similarity": -1.13486, "FDA_Category_D_and_X_Weighted_Contribution": -0.105255, "FDA_Category_D_and_X_Top_Rank": 0.1362, "Placenta_Crossing_L1000_Similarity": 2.6392, "Placenta_Crossing_Structural_Similarity": -1.08496, "Placenta_Crossing_Weighted_Contribution": 0.101307, "Placenta_Crossing_Top_Rank": 0.407727, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl", "InChI_key": "GJSURZIOUXUGAL-UHFFFAOYSA-N" } }, "CID:2833": { "type": "Drug", "properties": { "id": "CID:2833", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2833", "label": "colchicine", "FDA_Category_D_L1000_Similarity": -0.142421, "FDA_Category_D_Structural_Similarity": -0.909658, "FDA_Category_D_Weighted_Contribution": -0.889596, "FDA_Category_D_Top_Rank": -0.093324, "FDA_Category_X_L1000_Similarity": -1.28827, "FDA_Category_X_Structural_Similarity": -0.741825, "FDA_Category_X_Weighted_Contribution": -1.16623, "FDA_Category_X_Top_Rank": -0.0916415, "FDA_Category_D_and_X_L1000_Similarity": -0.513994, "FDA_Category_D_and_X_Structural_Similarity": -1.12229, "FDA_Category_D_and_X_Weighted_Contribution": -1.12765, "FDA_Category_D_and_X_Top_Rank": -0.0951189, "Placenta_Crossing_L1000_Similarity": -1.12979, "Placenta_Crossing_Structural_Similarity": -0.748362, "Placenta_Crossing_Weighted_Contribution": -1.08939, "Placenta_Crossing_Top_Rank": -0.0914969, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC", "InChI_key": "IAKHMKGGTNLKSZ-UHFFFAOYSA-N" } }, "CID:28693": { "type": "Drug", "properties": { "id": "CID:28693", "label": "metergoline", "lsm": "LSM-3265", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/28693", "IDG_ID": "1723", "FDA_Category_D_L1000_Similarity": 0.292419, "FDA_Category_D_Structural_Similarity": -0.853511, "FDA_Category_D_Weighted_Contribution": -0.675952, "FDA_Category_D_Top_Rank": -0.0889599, "FDA_Category_X_L1000_Similarity": 4.35062, "FDA_Category_X_Structural_Similarity": 2.72962, "FDA_Category_X_Weighted_Contribution": 4.1486, "FDA_Category_X_Top_Rank": 10.7404, "FDA_Category_D_and_X_L1000_Similarity": 1.57328, "FDA_Category_D_and_X_Structural_Similarity": 0.795449, "FDA_Category_D_and_X_Weighted_Contribution": 1.57934, "FDA_Category_D_and_X_Top_Rank": -0.0114668, "Placenta_Crossing_L1000_Similarity": 0.283101, "Placenta_Crossing_Structural_Similarity": -0.48819, "Placenta_Crossing_Weighted_Contribution": -0.429073, "Placenta_Crossing_Top_Rank": -0.0858121, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5", "InChI_key": "WZHJKEUHNJHDLS-QTGUNEKASA-N" } }, "CID:2895": { "type": "Drug", "properties": { "id": "CID:2895", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2895", "label": "cyclobenzaprine", "ref": "LSM-5537", "FDA_Category_D_L1000_Similarity": -0.851266, "FDA_Category_D_Structural_Similarity": -0.522999, "FDA_Category_D_Weighted_Contribution": -0.907804, "FDA_Category_D_Top_Rank": -0.0943485, "FDA_Category_X_L1000_Similarity": 0.544154, "FDA_Category_X_Structural_Similarity": -0.502954, "FDA_Category_X_Weighted_Contribution": -0.333807, "FDA_Category_X_Top_Rank": -0.0818758, "FDA_Category_D_and_X_L1000_Similarity": -0.568554, "FDA_Category_D_and_X_Structural_Similarity": -0.686503, "FDA_Category_D_and_X_Weighted_Contribution": -0.896565, "FDA_Category_D_and_X_Top_Rank": -0.0953089, "Placenta_Crossing_L1000_Similarity": -1.04397, "Placenta_Crossing_Structural_Similarity": -0.853418, "Placenta_Crossing_Weighted_Contribution": -1.12244, "Placenta_Crossing_Top_Rank": -0.0918814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31", "InChI_key": "JURKNVYFZMSNLP-UHFFFAOYSA-N" } }, "CID:2946732": { "type": "Drug", "properties": { "id": "CID:2946732", "label": "stk-111867", "lsm": "LSM-1889", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2946732", "FDA_Category_D_L1000_Similarity": 0.682216, "FDA_Category_D_Structural_Similarity": -0.527592, "FDA_Category_D_Weighted_Contribution": -0.228491, "FDA_Category_D_Top_Rank": -0.0802263, "FDA_Category_X_L1000_Similarity": 0.888817, "FDA_Category_X_Structural_Similarity": 2.44345, "FDA_Category_X_Weighted_Contribution": 2.93875, "FDA_Category_X_Top_Rank": 0.102009, "FDA_Category_D_and_X_L1000_Similarity": 0.857997, "FDA_Category_D_and_X_Structural_Similarity": 0.899716, "FDA_Category_D_and_X_Weighted_Contribution": 1.26337, "FDA_Category_D_and_X_Top_Rank": -0.0581148, "Placenta_Crossing_L1000_Similarity": 0.274497, "Placenta_Crossing_Structural_Similarity": -0.608875, "Placenta_Crossing_Weighted_Contribution": -0.528175, "Placenta_Crossing_Top_Rank": -0.0859352, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CC=C4", "InChI_key": "MIQGMTKINBACMG-UHFFFAOYSA-N" } }, "CID:2995": { "type": "Drug", "properties": { "id": "CID:2995", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2995", "label": "desipramine", "FDA_Category_D_L1000_Similarity": -1.93986, "FDA_Category_D_Structural_Similarity": -0.860656, "FDA_Category_D_Weighted_Contribution": -1.40664, "FDA_Category_D_Top_Rank": -0.0968018, "FDA_Category_X_L1000_Similarity": 1.67727, "FDA_Category_X_Structural_Similarity": -0.607928, "FDA_Category_X_Weighted_Contribution": 0.103944, "FDA_Category_X_Top_Rank": -0.032591, "FDA_Category_D_and_X_L1000_Similarity": -1.16283, "FDA_Category_D_and_X_Structural_Similarity": -1.01115, "FDA_Category_D_and_X_Weighted_Contribution": -1.25091, "FDA_Category_D_and_X_Top_Rank": -0.0964043, "Placenta_Crossing_L1000_Similarity": -1.68025, "Placenta_Crossing_Structural_Similarity": 2.67955, "Placenta_Crossing_Weighted_Contribution": 1.75205, "Placenta_Crossing_Top_Rank": 0.123591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31", "InChI_key": "HCYAFALTSJYZDH-UHFFFAOYSA-N" } }, "CID:3038": { "type": "Drug", "properties": { "id": "CID:3038", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3038", "label": "diclofenamide", "FDA_Category_D_L1000_Similarity": 1.36566, "FDA_Category_D_Structural_Similarity": 1.37248, "FDA_Category_D_Weighted_Contribution": 2.15719, "FDA_Category_D_Top_Rank": -0.0296998, "FDA_Category_X_L1000_Similarity": -1.2952, "FDA_Category_X_Structural_Similarity": 0.410794, "FDA_Category_X_Weighted_Contribution": -0.339714, "FDA_Category_X_Top_Rank": -0.0653744, "FDA_Category_D_and_X_L1000_Similarity": 0.783884, "FDA_Category_D_and_X_Structural_Similarity": 1.31102, "FDA_Category_D_and_X_Weighted_Contribution": 1.65623, "FDA_Category_D_and_X_Top_Rank": -0.0305452, "Placenta_Crossing_L1000_Similarity": 1.12132, "Placenta_Crossing_Structural_Similarity": 1.26781, "Placenta_Crossing_Weighted_Contribution": 1.76204, "Placenta_Crossing_Top_Rank": -0.0352902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N", "InChI_key": "GJQPMPFPNINLKP-UHFFFAOYSA-N" } }, "CID:3059": { "type": "Drug", "properties": { "id": "CID:3059", "label": "diflunisal", "ref": "LSM-2490", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3059", "FDA_Category_D_L1000_Similarity": 2.01798, "FDA_Category_D_Structural_Similarity": 0.900719, "FDA_Category_D_Weighted_Contribution": 2.06601, "FDA_Category_D_Top_Rank": 0.214126, "FDA_Category_X_L1000_Similarity": 1.1375, "FDA_Category_X_Structural_Similarity": -0.328622, "FDA_Category_X_Weighted_Contribution": 0.113202, "FDA_Category_X_Top_Rank": -0.0667627, "FDA_Category_D_and_X_L1000_Similarity": 2.08497, "FDA_Category_D_and_X_Structural_Similarity": 0.537589, "FDA_Category_D_and_X_Weighted_Contribution": 1.6099, "FDA_Category_D_and_X_Top_Rank": 0.140255, "Placenta_Crossing_L1000_Similarity": 1.50515, "Placenta_Crossing_Structural_Similarity": 1.5705, "Placenta_Crossing_Weighted_Contribution": 2.26525, "Placenta_Crossing_Top_Rank": -0.0148935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O", "InChI_key": "HUPFGZXOMWLGNK-UHFFFAOYSA-N" } }, "CID:30668": { "type": "Drug", "properties": { "id": "CID:30668", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID30668", "label": "lofexidine", "FDA_Category_D_L1000_Similarity": 0.747471, "FDA_Category_D_Structural_Similarity": 1.67403, "FDA_Category_D_Weighted_Contribution": 2.09596, "FDA_Category_D_Top_Rank": 0.00262097, "FDA_Category_X_L1000_Similarity": 0.0845039, "FDA_Category_X_Structural_Similarity": -0.414306, "FDA_Category_X_Weighted_Contribution": -0.456254, "FDA_Category_X_Top_Rank": -0.0869555, "FDA_Category_D_and_X_L1000_Similarity": 0.67, "FDA_Category_D_and_X_Structural_Similarity": 1.10514, "FDA_Category_D_and_X_Weighted_Contribution": 1.37038, "FDA_Category_D_and_X_Top_Rank": -0.0457393, "Placenta_Crossing_L1000_Similarity": -0.00850855, "Placenta_Crossing_Structural_Similarity": 1.22638, "Placenta_Crossing_Weighted_Contribution": 1.10303, "Placenta_Crossing_Top_Rank": -0.0381619, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl", "InChI_key": "KSMAGQUYOIHWFS-UHFFFAOYSA-N" } }, "CID:3106": { "type": "Drug", "properties": { "id": "CID:3106", "label": "dipropyl-dopamine", "lsm": "LSM-3854", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3106", "FDA_Category_D_L1000_Similarity": 0.798961, "FDA_Category_D_Structural_Similarity": 0.196716, "FDA_Category_D_Weighted_Contribution": 0.542494, "FDA_Category_D_Top_Rank": -0.0759295, "FDA_Category_X_L1000_Similarity": 1.40132, "FDA_Category_X_Structural_Similarity": -0.0841138, "FDA_Category_X_Weighted_Contribution": 0.507308, "FDA_Category_X_Top_Rank": -0.0532115, "FDA_Category_D_and_X_L1000_Similarity": 1.11428, "FDA_Category_D_and_X_Structural_Similarity": 0.110748, "FDA_Category_D_and_X_Weighted_Contribution": 0.579415, "FDA_Category_D_and_X_Top_Rank": -0.0614958, "Placenta_Crossing_L1000_Similarity": 1.6404, "Placenta_Crossing_Structural_Similarity": -0.0902361, "Placenta_Crossing_Weighted_Contribution": 0.591174, "Placenta_Crossing_Top_Rank": -0.0240493, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)CCC1=CC(=C(C=C1)O)O", "InChI_key": "LMYSNFBROWBKMB-UHFFFAOYSA-N" } }, "CID:3213": { "type": "Drug", "properties": { "id": "CID:3213", "label": "ellipticine", "lsm": "LSM-4842", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3213", "FDA_Category_D_L1000_Similarity": 0.80921, "FDA_Category_D_Structural_Similarity": 1.01869, "FDA_Category_D_Weighted_Contribution": 1.43881, "FDA_Category_D_Top_Rank": -0.0495147, "FDA_Category_X_L1000_Similarity": -0.92392, "FDA_Category_X_Structural_Similarity": -0.729854, "FDA_Category_X_Weighted_Contribution": -1.05284, "FDA_Category_X_Top_Rank": -0.0911386, "FDA_Category_D_and_X_L1000_Similarity": 0.416978, "FDA_Category_D_and_X_Structural_Similarity": 0.414722, "FDA_Category_D_and_X_Weighted_Contribution": 0.49014, "FDA_Category_D_and_X_Top_Rank": -0.0764235, "Placenta_Crossing_L1000_Similarity": -0.165178, "Placenta_Crossing_Structural_Similarity": 0.644799, "Placenta_Crossing_Weighted_Contribution": 0.404745, "Placenta_Crossing_Top_Rank": -0.0649427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C", "InChI_key": "CTSPAMFJBXKSOY-UHFFFAOYSA-N" } }, "CID:3289": { "type": "Drug", "properties": { "id": "CID:3289", "label": "ethoprop", "lsm": "LSM-2169", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3289", "FDA_Category_D_L1000_Similarity": 0.706147, "FDA_Category_D_Structural_Similarity": 0.828522, "FDA_Category_D_Weighted_Contribution": 1.1648, "FDA_Category_D_Top_Rank": -0.0593969, "FDA_Category_X_L1000_Similarity": -0.0427557, "FDA_Category_X_Structural_Similarity": -0.644499, "FDA_Category_X_Weighted_Contribution": -0.692429, "FDA_Category_X_Top_Rank": -0.0878827, "FDA_Category_D_and_X_L1000_Similarity": 0.595729, "FDA_Category_D_and_X_Structural_Similarity": 0.30984, "FDA_Category_D_and_X_Weighted_Contribution": 0.485363, "FDA_Category_D_and_X_Top_Rank": -0.0791784, "Placenta_Crossing_L1000_Similarity": 0.929471, "Placenta_Crossing_Structural_Similarity": 0.855503, "Placenta_Crossing_Weighted_Contribution": 1.21651, "Placenta_Crossing_Top_Rank": -0.0570234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCSP(=O)(OCC)SCCC", "InChI_key": "VJYFKVYYMZPMAB-UHFFFAOYSA-N" } }, "CID:3324": { "type": "Drug", "properties": { "id": "CID:3324", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3324", "label": "famciclovir", "FDA_Category_D_L1000_Similarity": -0.259094, "FDA_Category_D_Structural_Similarity": -0.150631, "FDA_Category_D_Weighted_Contribution": -0.378209, "FDA_Category_D_Top_Rank": -0.0885534, "FDA_Category_X_L1000_Similarity": 2.0761, "FDA_Category_X_Structural_Similarity": 0.540917, "FDA_Category_X_Weighted_Contribution": 1.5914, "FDA_Category_X_Top_Rank": 0.0232734, "FDA_Category_D_and_X_L1000_Similarity": 0.407124, "FDA_Category_D_and_X_Structural_Similarity": 0.172319, "FDA_Category_D_and_X_Weighted_Contribution": 0.241974, "FDA_Category_D_and_X_Top_Rank": -0.0822619, "Placenta_Crossing_L1000_Similarity": 1.74448, "Placenta_Crossing_Structural_Similarity": 0.8909, "Placenta_Crossing_Weighted_Contribution": 1.69804, "Placenta_Crossing_Top_Rank": -0.00867747, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C", "InChI_key": "GGXKWVWZWMLJEH-UHFFFAOYSA-N" } }, "CID:334704": { "type": "Drug", "properties": { "id": "CID:334704", "label": "marmesin", "lsm": "LSM-2799", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/334704", "FDA_Category_D_L1000_Similarity": 0.227529, "FDA_Category_D_Structural_Similarity": 0.743428, "FDA_Category_D_Weighted_Contribution": 0.767688, "FDA_Category_D_Top_Rank": -0.0625495, "FDA_Category_X_L1000_Similarity": -0.153659, "FDA_Category_X_Structural_Similarity": 0.607455, "FDA_Category_X_Weighted_Contribution": 0.414292, "FDA_Category_X_Top_Rank": -0.057368, "FDA_Category_D_and_X_L1000_Similarity": 0.149471, "FDA_Category_D_and_X_Structural_Similarity": 0.917849, "FDA_Category_D_and_X_Weighted_Contribution": 0.858436, "FDA_Category_D_and_X_Top_Rank": -0.0570348, "Placenta_Crossing_L1000_Similarity": 0.518253, "Placenta_Crossing_Structural_Similarity": 0.465995, "Placenta_Crossing_Weighted_Contribution": 0.577578, "Placenta_Crossing_Top_Rank": -0.0704722, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:336423": { "type": "Drug", "properties": { "id": "CID:336423", "label": "TIC-10", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/336423", "FDA_Category_D_L1000_Similarity": 0.547881, "FDA_Category_D_Structural_Similarity": -0.448261, "FDA_Category_D_Weighted_Contribution": -0.227903, "FDA_Category_D_Top_Rank": -0.0840095, "FDA_Category_X_L1000_Similarity": 2.45344, "FDA_Category_X_Structural_Similarity": 0.351658, "FDA_Category_X_Weighted_Contribution": 1.59091, "FDA_Category_X_Top_Rank": 0.135624, "FDA_Category_D_and_X_L1000_Similarity": 1.21734, "FDA_Category_D_and_X_Structural_Similarity": -0.166037, "FDA_Category_D_and_X_Weighted_Contribution": 0.356607, "FDA_Category_D_and_X_Top_Rank": -0.0537146, "Placenta_Crossing_L1000_Similarity": 0.698834, "Placenta_Crossing_Structural_Similarity": -0.85438, "Placenta_Crossing_Weighted_Contribution": -0.551497, "Placenta_Crossing_Top_Rank": -0.0789043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3385": { "type": "Drug", "properties": { "id": "CID:3385", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3385", "label": "fluorouracil", "ref": "LSM-4261", "FDA_Category_D_L1000_Similarity": 3.04342, "FDA_Category_D_Structural_Similarity": 0.100149, "FDA_Category_D_Weighted_Contribution": 1.85796, "FDA_Category_D_Top_Rank": 4.68217, "FDA_Category_X_L1000_Similarity": 1.02234, "FDA_Category_X_Structural_Similarity": -0.748553, "FDA_Category_X_Weighted_Contribution": -0.339395, "FDA_Category_X_Top_Rank": -0.0708381, "FDA_Category_D_and_X_L1000_Similarity": 2.93394, "FDA_Category_D_and_X_Structural_Similarity": -0.324426, "FDA_Category_D_and_X_Weighted_Contribution": 1.19863, "FDA_Category_D_and_X_Top_Rank": 1.49191, "Placenta_Crossing_L1000_Similarity": 1.72154, "Placenta_Crossing_Structural_Similarity": -1.07278, "Placenta_Crossing_Weighted_Contribution": -0.308774, "Placenta_Crossing_Top_Rank": -0.0125135, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=O)NC(=O)N1)F", "InChI_key": "GHASVSINZRGABV-UHFFFAOYSA-N" } }, "CID:33887": { "type": "Drug", "properties": { "id": "CID:33887", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID33887", "label": "almitrine", "FDA_Category_D_L1000_Similarity": -0.377325, "FDA_Category_D_Structural_Similarity": -0.564657, "FDA_Category_D_Weighted_Contribution": -0.749978, "FDA_Category_D_Top_Rank": -0.0946092, "FDA_Category_X_L1000_Similarity": 0.256695, "FDA_Category_X_Structural_Similarity": -0.708159, "FDA_Category_X_Weighted_Contribution": -0.625766, "FDA_Category_X_Top_Rank": -0.0853408, "FDA_Category_D_and_X_L1000_Similarity": -0.247313, "FDA_Category_D_and_X_Structural_Similarity": -0.830296, "FDA_Category_D_and_X_Weighted_Contribution": -0.87377, "FDA_Category_D_and_X_Top_Rank": -0.0939189, "Placenta_Crossing_L1000_Similarity": 1.38547, "Placenta_Crossing_Structural_Similarity": -0.700809, "Placenta_Crossing_Weighted_Contribution": -0.132689, "Placenta_Crossing_Top_Rank": -0.049763, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C", "InChI_key": "OBDOVFRMEYHSQB-UHFFFAOYSA-N" } }, "CID:34040": { "type": "Drug", "properties": { "id": "CID:34040", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID34040", "label": "nicergoline", "FDA_Category_D_L1000_Similarity": 0.161796, "FDA_Category_D_Structural_Similarity": -0.58591, "FDA_Category_D_Weighted_Contribution": -0.531181, "FDA_Category_D_Top_Rank": -0.0906373, "FDA_Category_X_L1000_Similarity": -0.182896, "FDA_Category_X_Structural_Similarity": 3.30472, "FDA_Category_X_Weighted_Contribution": 3.20944, "FDA_Category_X_Top_Rank": 0.283672, "FDA_Category_D_and_X_L1000_Similarity": 0.0839314, "FDA_Category_D_and_X_Structural_Similarity": 1.31817, "FDA_Category_D_and_X_Weighted_Contribution": 1.24681, "FDA_Category_D_and_X_Top_Rank": -0.0295241, "Placenta_Crossing_L1000_Similarity": -0.419979, "Placenta_Crossing_Structural_Similarity": -0.108575, "Placenta_Crossing_Weighted_Contribution": -0.410435, "Placenta_Crossing_Top_Rank": -0.0843452, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br", "InChI_key": "YSEXMKHXIOCEJA-FVFQAYNVSA-N" } }, "CID:3442": { "type": "Drug", "properties": { "id": "CID:3442", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3442", "label": "fusaric-acid", "FDA_Category_D_L1000_Similarity": 1.30769, "FDA_Category_D_Structural_Similarity": -0.699654, "FDA_Category_D_Weighted_Contribution": -0.0524187, "FDA_Category_D_Top_Rank": -0.036899, "FDA_Category_X_L1000_Similarity": -0.336238, "FDA_Category_X_Structural_Similarity": 0.836628, "FDA_Category_X_Weighted_Contribution": 0.562981, "FDA_Category_X_Top_Rank": -0.0485161, "FDA_Category_D_and_X_L1000_Similarity": 1.02515, "FDA_Category_D_and_X_Structural_Similarity": -0.103883, "FDA_Category_D_and_X_Weighted_Contribution": 0.311204, "FDA_Category_D_and_X_Top_Rank": -0.0674237, "Placenta_Crossing_L1000_Similarity": 1.00464, "Placenta_Crossing_Structural_Similarity": 0.0494332, "Placenta_Crossing_Weighted_Contribution": 0.402804, "Placenta_Crossing_Top_Rank": -0.0702119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=CN=C(C=C1)C(=O)O", "InChI_key": "DGMPVYSXXIOGJY-UHFFFAOYSA-N" } }, "CID:34870": { "type": "Drug", "properties": { "id": "CID:34870", "label": "amineptine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/34870", "FDA_Category_D_L1000_Similarity": 0.145172, "FDA_Category_D_Structural_Similarity": -0.825302, "FDA_Category_D_Weighted_Contribution": -0.71788, "FDA_Category_D_Top_Rank": -0.090801, "FDA_Category_X_L1000_Similarity": 0.839366, "FDA_Category_X_Structural_Similarity": -0.66885, "FDA_Category_X_Weighted_Contribution": -0.349861, "FDA_Category_X_Top_Rank": -0.075932, "FDA_Category_D_and_X_L1000_Similarity": 0.380052, "FDA_Category_D_and_X_Structural_Similarity": -1.01596, "FDA_Category_D_and_X_Weighted_Contribution": -0.764937, "FDA_Category_D_and_X_Top_Rank": -0.0877682, "Placenta_Crossing_L1000_Similarity": 0.936076, "Placenta_Crossing_Structural_Similarity": -0.454523, "Placenta_Crossing_Weighted_Contribution": -0.116186, "Placenta_Crossing_Top_Rank": -0.072627, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC=CC=C2C(C3=CC=CC=C31)NCCCCCCC(=O)O", "InChI_key": "ONNOFKFOZAJDHT-UHFFFAOYSA-N" } }, "CID:3494": { "type": "Drug", "properties": { "id": "CID:3494", "label": "glycopyrronium", "lsm": "LSM-5163", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3494", "FDA_Category_D_L1000_Similarity": 1.16746, "FDA_Category_D_Structural_Similarity": 0.705743, "FDA_Category_D_Weighted_Contribution": 1.32612, "FDA_Category_D_Top_Rank": -0.0519062, "FDA_Category_X_L1000_Similarity": 1.80617, "FDA_Category_X_Structural_Similarity": -0.0849224, "FDA_Category_X_Weighted_Contribution": 0.728693, "FDA_Category_X_Top_Rank": -0.018501, "FDA_Category_D_and_X_L1000_Similarity": 1.55487, "FDA_Category_D_and_X_Structural_Similarity": 0.514334, "FDA_Category_D_and_X_Weighted_Contribution": 1.269, "FDA_Category_D_and_X_Top_Rank": -0.0145711, "Placenta_Crossing_L1000_Similarity": 2.83979, "Placenta_Crossing_Structural_Similarity": -0.374944, "Placenta_Crossing_Weighted_Contribution": 0.934517, "Placenta_Crossing_Top_Rank": 0.653726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C", "InChI_key": "ANGKOCUUWGHLCE-UHFFFAOYSA-N" } }, "CID:3762": { "type": "Drug", "properties": { "id": "CID:3762", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3762", "label": "isoetharine", "FDA_Category_D_L1000_Similarity": -1.09109, "FDA_Category_D_Structural_Similarity": -0.609331, "FDA_Category_D_Weighted_Contribution": -1.0452, "FDA_Category_D_Top_Rank": -0.0951383, "FDA_Category_X_L1000_Similarity": -0.288216, "FDA_Category_X_Structural_Similarity": -0.00997575, "FDA_Category_X_Weighted_Contribution": -0.265254, "FDA_Category_X_Top_Rank": -0.0800406, "FDA_Category_D_and_X_L1000_Similarity": -1.02805, "FDA_Category_D_and_X_Structural_Similarity": -0.489017, "FDA_Category_D_and_X_Weighted_Contribution": -0.933542, "FDA_Category_D_and_X_Top_Rank": -0.0939, "Placenta_Crossing_L1000_Similarity": -0.423553, "Placenta_Crossing_Structural_Similarity": 6.12899, "Placenta_Crossing_Weighted_Contribution": 4.16586, "Placenta_Crossing_Top_Rank": 1.98428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C", "InChI_key": "HUYWAWARQUIQLE-UHFFFAOYSA-N" } }, "CID:38521": { "type": "Drug", "properties": { "id": "CID:38521", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID38521", "label": "guanadrel", "FDA_Category_D_L1000_Similarity": 1.59638, "FDA_Category_D_Structural_Similarity": -0.733889, "FDA_Category_D_Weighted_Contribution": 0.0751609, "FDA_Category_D_Top_Rank": 0.0128758, "FDA_Category_X_L1000_Similarity": 2.62411, "FDA_Category_X_Structural_Similarity": -0.36974, "FDA_Category_X_Weighted_Contribution": 0.867845, "FDA_Category_X_Top_Rank": 0.238634, "FDA_Category_D_and_X_L1000_Similarity": 2.173, "FDA_Category_D_and_X_Structural_Similarity": -0.782007, "FDA_Category_D_and_X_Weighted_Contribution": 0.276915, "FDA_Category_D_and_X_Top_Rank": 0.194461, "Placenta_Crossing_L1000_Similarity": 2.55456, "Placenta_Crossing_Structural_Similarity": -0.430492, "Placenta_Crossing_Weighted_Contribution": 0.720936, "Placenta_Crossing_Top_Rank": 0.334856, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(CC1)OCC(O2)CN=C(N)N", "InChI_key": "HPBNRIOWIXYZFK-UHFFFAOYSA-N" } }, "CID:3899": { "type": "Drug", "properties": { "id": "CID:3899", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3899", "label": "leflunomide", "ref": "LSM-3771", "FDA_Category_D_L1000_Similarity": -0.660388, "FDA_Category_D_Structural_Similarity": -0.875923, "FDA_Category_D_Weighted_Contribution": -1.05345, "FDA_Category_D_Top_Rank": -0.0956252, "FDA_Category_X_L1000_Similarity": 0.848497, "FDA_Category_X_Structural_Similarity": 0.495967, "FDA_Category_X_Weighted_Contribution": 0.842216, "FDA_Category_X_Top_Rank": -0.0621674, "FDA_Category_D_and_X_L1000_Similarity": -0.311588, "FDA_Category_D_and_X_Structural_Similarity": -0.42761, "FDA_Category_D_and_X_Weighted_Contribution": -0.623367, "FDA_Category_D_and_X_Top_Rank": -0.0932631, "Placenta_Crossing_L1000_Similarity": 0.2238, "Placenta_Crossing_Structural_Similarity": -0.497144, "Placenta_Crossing_Weighted_Contribution": -0.460467, "Placenta_Crossing_Top_Rank": -0.0864097, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F", "InChI_key": "VHOGYURTWQBHIL-UHFFFAOYSA-N" } }, "CID:3925": { "type": "Drug", "properties": { "id": "CID:3925", "label": "qx-314", "lsm": "LSM-3262", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3925", "FDA_Category_D_L1000_Similarity": 1.06575, "FDA_Category_D_Structural_Similarity": 0.816835, "FDA_Category_D_Weighted_Contribution": 1.38246, "FDA_Category_D_Top_Rank": -0.0599559, "FDA_Category_X_L1000_Similarity": 2.13678, "FDA_Category_X_Structural_Similarity": 1.83054, "FDA_Category_X_Weighted_Contribution": 2.94891, "FDA_Category_X_Top_Rank": 0.037858, "FDA_Category_D_and_X_L1000_Similarity": 1.5676, "FDA_Category_D_and_X_Structural_Similarity": 1.63608, "FDA_Category_D_and_X_Weighted_Contribution": 2.41394, "FDA_Category_D_and_X_Top_Rank": -0.00266136, "Placenta_Crossing_L1000_Similarity": 0.82238, "Placenta_Crossing_Structural_Similarity": 0.977965, "Placenta_Crossing_Weighted_Contribution": 1.29017, "Placenta_Crossing_Top_Rank": -0.051241, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C", "InChI_key": "PYEBKOFMWAMBFV-UHFFFAOYSA-O" } }, "CID:3950": { "type": "Drug", "properties": { "id": "CID:3950", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3950", "label": "lomustine", "FDA_Category_D_L1000_Similarity": 1.8892, "FDA_Category_D_Structural_Similarity": 2.22474, "FDA_Category_D_Weighted_Contribution": 3.16552, "FDA_Category_D_Top_Rank": 0.113561, "FDA_Category_X_L1000_Similarity": -0.870719, "FDA_Category_X_Structural_Similarity": -0.434647, "FDA_Category_X_Weighted_Contribution": -0.841917, "FDA_Category_X_Top_Rank": -0.0887886, "FDA_Category_D_and_X_L1000_Similarity": 1.3641, "FDA_Category_D_and_X_Structural_Similarity": 1.53127, "FDA_Category_D_and_X_Weighted_Contribution": 2.20793, "FDA_Category_D_and_X_Top_Rank": -0.011758, "Placenta_Crossing_L1000_Similarity": 0.519307, "Placenta_Crossing_Structural_Similarity": -1.04675, "Placenta_Crossing_Weighted_Contribution": -0.757858, "Placenta_Crossing_Top_Rank": -0.0825854, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)NC(=O)N(CCCl)N=O", "InChI_key": "GQYIWUVLTXOXAJ-UHFFFAOYSA-N" } }, "CID:398148": { "type": "Drug", "properties": { "id": "CID:398148", "label": "6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/398148", "FDA_Category_D_L1000_Similarity": 0.415658, "FDA_Category_D_Structural_Similarity": -0.634783, "FDA_Category_D_Weighted_Contribution": -0.451557, "FDA_Category_D_Top_Rank": -0.0869056, "FDA_Category_X_L1000_Similarity": 0.319172, "FDA_Category_X_Structural_Similarity": -0.153355, "FDA_Category_X_Weighted_Contribution": -0.116138, "FDA_Category_X_Top_Rank": -0.0834985, "FDA_Category_D_and_X_L1000_Similarity": 0.455231, "FDA_Category_D_and_X_Structural_Similarity": -0.586586, "FDA_Category_D_and_X_Weighted_Contribution": -0.414816, "FDA_Category_D_and_X_Top_Rank": -0.0865198, "Placenta_Crossing_L1000_Similarity": 0.529373, "Placenta_Crossing_Structural_Similarity": -0.821995, "Placenta_Crossing_Weighted_Contribution": -0.592209, "Placenta_Crossing_Top_Rank": -0.0824376, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N", "InChI_key": "DGWXOLHKVGDQLN-UHFFFAOYSA-N" } }, "CID:4006": { "type": "Drug", "properties": { "id": "CID:4006", "label": "malotilate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4006", "FDA_Category_D_L1000_Similarity": -1.13375, "FDA_Category_D_Structural_Similarity": -0.230664, "FDA_Category_D_Weighted_Contribution": -0.824799, "FDA_Category_D_Top_Rank": -0.0901044, "FDA_Category_X_L1000_Similarity": 1.13066, "FDA_Category_X_Structural_Similarity": -0.67089, "FDA_Category_X_Weighted_Contribution": -0.220388, "FDA_Category_X_Top_Rank": -0.0670121, "FDA_Category_D_and_X_L1000_Similarity": -0.633947, "FDA_Category_D_and_X_Structural_Similarity": -0.54509, "FDA_Category_D_and_X_Weighted_Contribution": -0.829788, "FDA_Category_D_and_X_Top_Rank": -0.0943604, "Placenta_Crossing_L1000_Similarity": 0.562528, "Placenta_Crossing_Structural_Similarity": -0.683447, "Placenta_Crossing_Weighted_Contribution": -0.471994, "Placenta_Crossing_Top_Rank": -0.0818326, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:40486": { "type": "Drug", "properties": { "id": "CID:40486", "label": "A-23187", "lsm": "LSM-22620", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/40486", "FDA_Category_D_L1000_Similarity": -2.27315, "FDA_Category_D_Structural_Similarity": 0.406611, "FDA_Category_D_Weighted_Contribution": -0.844782, "FDA_Category_D_Top_Rank": -0.0742028, "FDA_Category_X_L1000_Similarity": -2.30533, "FDA_Category_X_Structural_Similarity": -0.158725, "FDA_Category_X_Weighted_Contribution": -1.12416, "FDA_Category_X_Top_Rank": -0.0835981, "FDA_Category_D_and_X_L1000_Similarity": -2.65958, "FDA_Category_D_and_X_Structural_Similarity": 0.237085, "FDA_Category_D_and_X_Weighted_Contribution": -1.04334, "FDA_Category_D_and_X_Top_Rank": -0.0808824, "Placenta_Crossing_L1000_Similarity": -2.96859, "Placenta_Crossing_Structural_Similarity": 0.49541, "Placenta_Crossing_Weighted_Contribution": -0.907345, "Placenta_Crossing_Top_Rank": -0.0696004, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4203080": { "type": "Drug", "properties": { "id": "CID:4203080", "label": "l-655708", "lsm": "LSM-1859", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4203080", "FDA_Category_D_L1000_Similarity": 1.5747, "FDA_Category_D_Structural_Similarity": -0.479816, "FDA_Category_D_Weighted_Contribution": 0.31346, "FDA_Category_D_Top_Rank": 0.00858755, "FDA_Category_X_L1000_Similarity": 1.06795, "FDA_Category_X_Structural_Similarity": -0.442367, "FDA_Category_X_Weighted_Contribution": -0.0338122, "FDA_Category_X_Top_Rank": -0.0692731, "FDA_Category_D_and_X_L1000_Similarity": 1.68174, "FDA_Category_D_and_X_Structural_Similarity": -0.619536, "FDA_Category_D_and_X_Weighted_Contribution": 0.166835, "FDA_Category_D_and_X_Top_Rank": 0.00591013, "Placenta_Crossing_L1000_Similarity": 1.6988, "Placenta_Crossing_Structural_Similarity": -0.706671, "Placenta_Crossing_Weighted_Contribution": 0.00779212, "Placenta_Crossing_Top_Rank": -0.0154045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC", "InChI_key": "YKYOQIXTECBVBB-UHFFFAOYSA-N" } }, "CID:4236": { "type": "Drug", "properties": { "id": "CID:4236", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4236", "label": "modafinil", "FDA_Category_D_L1000_Similarity": 0.266155, "FDA_Category_D_Structural_Similarity": 0.424271, "FDA_Category_D_Weighted_Contribution": 0.454522, "FDA_Category_D_Top_Rank": -0.0736533, "FDA_Category_X_L1000_Similarity": 0.355098, "FDA_Category_X_Structural_Similarity": -0.61265, "FDA_Category_X_Weighted_Contribution": -0.508938, "FDA_Category_X_Top_Rank": -0.084328, "FDA_Category_D_and_X_L1000_Similarity": 0.337262, "FDA_Category_D_and_X_Structural_Similarity": 0.00616578, "FDA_Category_D_and_X_Weighted_Contribution": 0.0452131, "FDA_Category_D_and_X_Top_Rank": -0.0861553, "Placenta_Crossing_L1000_Similarity": 1.05643, "Placenta_Crossing_Structural_Similarity": -0.355962, "Placenta_Crossing_Weighted_Contribution": 0.0310889, "Placenta_Crossing_Top_Rank": -0.0682773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N", "InChI_key": "YFGHCGITMMYXAQ-UHFFFAOYSA-N" } }, "CID:44182295": { "type": "Drug", "properties": { "id": "CID:44182295", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44182295", "label": "refametinib", "FDA_Category_D_L1000_Similarity": -1.39652, "FDA_Category_D_Structural_Similarity": -0.208869, "FDA_Category_D_Weighted_Contribution": -0.911085, "FDA_Category_D_Top_Rank": -0.0896897, "FDA_Category_X_L1000_Similarity": -1.52689, "FDA_Category_X_Structural_Similarity": -0.0889598, "FDA_Category_X_Weighted_Contribution": -0.829714, "FDA_Category_X_Top_Rank": -0.082013, "FDA_Category_D_and_X_L1000_Similarity": -1.66751, "FDA_Category_D_and_X_Structural_Similarity": -0.213784, "FDA_Category_D_and_X_Weighted_Contribution": -0.983175, "FDA_Category_D_and_X_Top_Rank": -0.0904596, "Placenta_Crossing_L1000_Similarity": -2.41885, "Placenta_Crossing_Structural_Similarity": 0.200191, "Placenta_Crossing_Weighted_Contribution": -0.917546, "Placenta_Crossing_Top_Rank": -0.0776983, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F", "InChI_key": "RDSACQWTXKSHJT-NSHDSACASA-N" } }, "CID:4421": { "type": "Drug", "properties": { "id": "CID:4421", "label": "nalidixic acid", "lsm": "LSM-5590", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4421", "FDA_Category_D_L1000_Similarity": 0.232501, "FDA_Category_D_Structural_Similarity": -0.426167, "FDA_Category_D_Weighted_Contribution": -0.367878, "FDA_Category_D_Top_Rank": -0.0897866, "FDA_Category_X_L1000_Similarity": -0.245845, "FDA_Category_X_Structural_Similarity": 0.438796, "FDA_Category_X_Weighted_Contribution": 0.18957, "FDA_Category_X_Top_Rank": -0.0644059, "FDA_Category_D_and_X_L1000_Similarity": 0.125765, "FDA_Category_D_and_X_Structural_Similarity": -0.101482, "FDA_Category_D_and_X_Weighted_Contribution": -0.160783, "FDA_Category_D_and_X_Top_Rank": -0.0883242, "Placenta_Crossing_L1000_Similarity": 0.306942, "Placenta_Crossing_Structural_Similarity": 0.434235, "Placenta_Crossing_Weighted_Contribution": 0.434232, "Placenta_Crossing_Top_Rank": -0.0715202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O", "InChI_key": "MHWLWQUZZRMNGJ-UHFFFAOYSA-N" } }, "CID:44241483": { "type": "Drug", "properties": { "id": "CID:44241483", "label": "vu-0403126", "lsm": "LSM-3866", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44241483", "FDA_Category_D_L1000_Similarity": -0.610497, "FDA_Category_D_Structural_Similarity": -0.248839, "FDA_Category_D_Weighted_Contribution": -0.619649, "FDA_Category_D_Top_Rank": -0.0904553, "FDA_Category_X_L1000_Similarity": -0.970153, "FDA_Category_X_Structural_Similarity": -0.110844, "FDA_Category_X_Weighted_Contribution": -0.638779, "FDA_Category_X_Top_Rank": -0.0825702, "FDA_Category_D_and_X_L1000_Similarity": -0.820877, "FDA_Category_D_and_X_Structural_Similarity": -0.257318, "FDA_Category_D_and_X_Weighted_Contribution": -0.705997, "FDA_Category_D_and_X_Top_Rank": -0.0910809, "Placenta_Crossing_L1000_Similarity": 0.215497, "Placenta_Crossing_Structural_Similarity": -0.701151, "Placenta_Crossing_Weighted_Contribution": -0.620888, "Placenta_Crossing_Top_Rank": -0.0864801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F", "InChI_key": "XWEZRSCMBQVPCF-UHFFFAOYSA-N" } }, "CID:443872": { "type": "Drug", "properties": { "id": "CID:443872", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443872", "label": "eplerenone", "FDA_Category_D_L1000_Similarity": 2.08053, "FDA_Category_D_Structural_Similarity": 0.631212, "FDA_Category_D_Weighted_Contribution": 1.82331, "FDA_Category_D_Top_Rank": 0.255766, "FDA_Category_X_L1000_Similarity": 1.76488, "FDA_Category_X_Structural_Similarity": 2.86397, "FDA_Category_X_Weighted_Contribution": 3.5877, "FDA_Category_X_Top_Rank": 0.181378, "FDA_Category_D_and_X_L1000_Similarity": 2.32942, "FDA_Category_D_and_X_Structural_Similarity": 2.04639, "FDA_Category_D_and_X_Weighted_Contribution": 3.09259, "FDA_Category_D_and_X_Top_Rank": 0.310038, "Placenta_Crossing_L1000_Similarity": 2.46417, "Placenta_Crossing_Structural_Similarity": 0.647584, "Placenta_Crossing_Weighted_Contribution": 1.82585, "Placenta_Crossing_Top_Rank": 0.265081, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC", "InChI_key": "JUKPWJGBANNWMW-VWBFHTRKSA-N" } }, "CID:44483234": { "type": "Drug", "properties": { "id": "CID:44483234", "label": "terreic-acid", "lsm": "LSM-5107", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483234", "FDA_Category_D_L1000_Similarity": 0.25744, "FDA_Category_D_Structural_Similarity": -0.745704, "FDA_Category_D_Weighted_Contribution": -0.611069, "FDA_Category_D_Top_Rank": -0.0894463, "FDA_Category_X_L1000_Similarity": -0.292836, "FDA_Category_X_Structural_Similarity": 1.88478, "FDA_Category_X_Weighted_Contribution": 1.7699, "FDA_Category_X_Top_Rank": 0.0271932, "FDA_Category_D_and_X_L1000_Similarity": 0.132987, "FDA_Category_D_and_X_Structural_Similarity": 0.425145, "FDA_Category_D_and_X_Weighted_Contribution": 0.339961, "FDA_Category_D_and_X_Top_Rank": -0.0761366, "Placenta_Crossing_L1000_Similarity": 0.146156, "Placenta_Crossing_Structural_Similarity": -0.415021, "Placenta_Crossing_Weighted_Contribution": -0.42608, "Placenta_Crossing_Top_Rank": -0.0871176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(=O)C2C(O2)C(=O)C1=O", "InChI_key": "NYFMSQHOGRWGFD-OOEDRKFMSA-N" } }, "CID:44483885": { "type": "Drug", "properties": { "id": "CID:44483885", "label": "SA-244237", "lsm": "LSM-15078", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483885", "FDA_Category_D_L1000_Similarity": 0.217883, "FDA_Category_D_Structural_Similarity": -0.206814, "FDA_Category_D_Weighted_Contribution": -0.185075, "FDA_Category_D_Top_Rank": -0.0896455, "FDA_Category_X_L1000_Similarity": 0.948589, "FDA_Category_X_Structural_Similarity": 0.437945, "FDA_Category_X_Weighted_Contribution": 0.833315, "FDA_Category_X_Top_Rank": -0.0644266, "FDA_Category_D_and_X_L1000_Similarity": 0.475895, "FDA_Category_D_and_X_Structural_Similarity": 0.0721623, "FDA_Category_D_and_X_Weighted_Contribution": 0.18203, "FDA_Category_D_and_X_Top_Rank": -0.0848034, "Placenta_Crossing_L1000_Similarity": 1.05683, "Placenta_Crossing_Structural_Similarity": -0.497564, "Placenta_Crossing_Weighted_Contribution": -0.0996808, "Placenta_Crossing_Top_Rank": -0.0682105, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44483977": { "type": "Drug", "properties": { "id": "CID:44483977", "label": "dm-55-3", "lsm": "LSM-3831", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483977", "FDA_Category_D_L1000_Similarity": -0.30388, "FDA_Category_X_L1000_Similarity": -0.104007, "FDA_Category_D_and_X_L1000_Similarity": -0.293532, "Placenta_Crossing_L1000_Similarity": -1.52141, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "GEPQSEIVCGMSGO-DWAIMSSFSA-N" } }, "CID:44484225": { "type": "Drug", "properties": { "id": "CID:44484225", "label": "SA-90030", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484225", "FDA_Category_D_L1000_Similarity": -1.01178, "FDA_Category_D_Structural_Similarity": -0.317371, "FDA_Category_D_Weighted_Contribution": -0.83503, "FDA_Category_D_Top_Rank": -0.0916629, "FDA_Category_X_L1000_Similarity": 0.725586, "FDA_Category_X_Structural_Similarity": -0.405114, "FDA_Category_X_Weighted_Contribution": -0.161797, "FDA_Category_X_Top_Rank": -0.0786001, "FDA_Category_D_and_X_L1000_Similarity": -0.651817, "FDA_Category_D_and_X_Structural_Similarity": -0.470499, "FDA_Category_D_and_X_Weighted_Contribution": -0.787146, "FDA_Category_D_and_X_Top_Rank": -0.0937083, "Placenta_Crossing_L1000_Similarity": -0.0795421, "Placenta_Crossing_Structural_Similarity": -0.341618, "Placenta_Crossing_Weighted_Contribution": -0.459157, "Placenta_Crossing_Top_Rank": -0.0880259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44487597": { "type": "Drug", "properties": { "id": "CID:44487597", "label": "SA-440832", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44487597", "FDA_Category_D_L1000_Similarity": -0.247514, "FDA_Category_X_L1000_Similarity": 0.251929, "FDA_Category_D_and_X_L1000_Similarity": -0.136851, "Placenta_Crossing_L1000_Similarity": 0.191199, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44487665": { "type": "Drug", "properties": { "id": "CID:44487665", "label": "SA-85377", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44487665", "FDA_Category_D_L1000_Similarity": 0.608509, "FDA_Category_D_Structural_Similarity": -0.78542, "FDA_Category_D_Weighted_Contribution": -0.481968, "FDA_Category_D_Top_Rank": -0.0823786, "FDA_Category_X_L1000_Similarity": 0.309523, "FDA_Category_X_Structural_Similarity": 0.53754, "FDA_Category_X_Weighted_Contribution": 0.589248, "FDA_Category_X_Top_Rank": -0.0603018, "FDA_Category_D_and_X_L1000_Similarity": 0.618542, "FDA_Category_D_and_X_Structural_Similarity": -0.333344, "FDA_Category_D_and_X_Weighted_Contribution": -0.121329, "FDA_Category_D_and_X_Top_Rank": -0.0830645, "Placenta_Crossing_L1000_Similarity": 0.678395, "Placenta_Crossing_Structural_Similarity": -0.578119, "Placenta_Crossing_Weighted_Contribution": -0.337902, "Placenta_Crossing_Top_Rank": -0.0794065, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44488194": { "type": "Drug", "properties": { "id": "CID:44488194", "label": "SA-426029", "lsm": "LSM-14722", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488194", "FDA_Category_D_L1000_Similarity": -0.227511, "FDA_Category_X_L1000_Similarity": 0.155586, "FDA_Category_D_and_X_L1000_Similarity": -0.14887, "Placenta_Crossing_L1000_Similarity": 0.43739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44494000": { "type": "Drug", "properties": { "id": "CID:44494000", "label": "SA-243423", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494000", "FDA_Category_D_L1000_Similarity": 0.341324, "FDA_Category_X_L1000_Similarity": -1.57421, "FDA_Category_D_and_X_L1000_Similarity": -0.183836, "Placenta_Crossing_L1000_Similarity": 0.700672, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44494424": { "type": "Drug", "properties": { "id": "CID:44494424", "label": "SA-103021", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494424", "FDA_Category_D_L1000_Similarity": 0.959913, "FDA_Category_D_Structural_Similarity": 1.32447, "FDA_Category_D_Weighted_Contribution": 1.86245, "FDA_Category_D_Top_Rank": -0.0326731, "FDA_Category_X_L1000_Similarity": 2.07391, "FDA_Category_X_Structural_Similarity": -0.644775, "FDA_Category_X_Weighted_Contribution": 0.269315, "FDA_Category_X_Top_Rank": 0.0230028, "FDA_Category_D_and_X_L1000_Similarity": 1.45726, "FDA_Category_D_and_X_Structural_Similarity": 0.703334, "FDA_Category_D_and_X_Weighted_Contribution": 1.41253, "FDA_Category_D_and_X_Top_Rank": -0.0290504, "Placenta_Crossing_L1000_Similarity": 1.87957, "Placenta_Crossing_Structural_Similarity": 0.451441, "Placenta_Crossing_Weighted_Contribution": 1.30075, "Placenta_Crossing_Top_Rank": 0.0178708, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44497655": { "type": "Drug", "properties": { "id": "CID:44497655", "label": "SA-102676", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44497655", "FDA_Category_D_L1000_Similarity": -0.356463, "FDA_Category_X_L1000_Similarity": 0.635569, "FDA_Category_D_and_X_L1000_Similarity": -0.114267, "Placenta_Crossing_L1000_Similarity": 0.378449, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44500308": { "type": "Drug", "properties": { "id": "CID:44500308", "label": "SA-243193", "lsm": "LSM-15077", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44500308", "FDA_Category_D_L1000_Similarity": 0.257852, "FDA_Category_D_Structural_Similarity": -0.253718, "FDA_Category_D_Weighted_Contribution": -0.206027, "FDA_Category_D_Top_Rank": -0.0894397, "FDA_Category_X_L1000_Similarity": 0.877489, "FDA_Category_X_Structural_Similarity": 0.494454, "FDA_Category_X_Weighted_Contribution": 0.856803, "FDA_Category_X_Top_Rank": -0.0622617, "FDA_Category_D_and_X_L1000_Similarity": 0.48876, "FDA_Category_D_and_X_Structural_Similarity": 0.0654258, "FDA_Category_D_and_X_Weighted_Contribution": 0.182489, "FDA_Category_D_and_X_Top_Rank": -0.0849642, "Placenta_Crossing_L1000_Similarity": 1.20893, "Placenta_Crossing_Structural_Similarity": -0.456038, "Placenta_Crossing_Weighted_Contribution": 0.00977357, "Placenta_Crossing_Top_Rank": -0.0612639, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44502756": { "type": "Drug", "properties": { "id": "CID:44502756", "label": "SA-102695", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44502756", "FDA_Category_D_L1000_Similarity": 0.93618, "FDA_Category_D_Structural_Similarity": 1.37787, "FDA_Category_D_Weighted_Contribution": 1.90397, "FDA_Category_D_Top_Rank": -0.0290366, "FDA_Category_X_L1000_Similarity": 0.448174, "FDA_Category_X_Structural_Similarity": -0.575357, "FDA_Category_X_Weighted_Contribution": -0.438481, "FDA_Category_X_Top_Rank": -0.0831466, "FDA_Category_D_and_X_L1000_Similarity": 0.943102, "FDA_Category_D_and_X_Structural_Similarity": 0.783171, "FDA_Category_D_and_X_Weighted_Contribution": 1.18963, "FDA_Category_D_and_X_Top_Rank": -0.0640095, "Placenta_Crossing_L1000_Similarity": -0.0670735, "Placenta_Crossing_Structural_Similarity": 0.379994, "Placenta_Crossing_Weighted_Contribution": 0.190321, "Placenta_Crossing_Top_Rank": -0.0730352, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44503242": { "type": "Drug", "properties": { "id": "CID:44503242", "label": "SA-244587", "lsm": "LSM-15080", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44503242", "FDA_Category_D_L1000_Similarity": 0.486446, "FDA_Category_D_Structural_Similarity": -0.137473, "FDA_Category_D_Weighted_Contribution": 0.0239883, "FDA_Category_D_Top_Rank": -0.0855439, "FDA_Category_X_L1000_Similarity": 0.732693, "FDA_Category_X_Structural_Similarity": 0.825252, "FDA_Category_X_Weighted_Contribution": 1.14944, "FDA_Category_X_Top_Rank": -0.0489631, "FDA_Category_D_and_X_L1000_Similarity": 0.64183, "FDA_Category_D_and_X_Structural_Similarity": 0.336189, "FDA_Category_D_and_X_Weighted_Contribution": 0.538816, "FDA_Category_D_and_X_Top_Rank": -0.0785681, "Placenta_Crossing_L1000_Similarity": 1.5051, "Placenta_Crossing_Structural_Similarity": -0.39712, "Placenta_Crossing_Weighted_Contribution": 0.210346, "Placenta_Crossing_Top_Rank": -0.0395337, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505769": { "type": "Drug", "properties": { "id": "CID:44505769", "label": "SA-418267", "lsm": "LSM-15082", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505769", "FDA_Category_D_L1000_Similarity": 1.38433, "FDA_Category_X_L1000_Similarity": 0.915014, "FDA_Category_D_and_X_L1000_Similarity": 1.47119, "Placenta_Crossing_L1000_Similarity": 1.11919, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44506644": { "type": "Drug", "properties": { "id": "CID:44506644", "label": "SA-247508", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44506644", "FDA_Category_D_L1000_Similarity": 0.438341, "FDA_Category_D_Structural_Similarity": -0.142535, "FDA_Category_D_Weighted_Contribution": -0.00744231, "FDA_Category_D_Top_Rank": -0.0864677, "FDA_Category_X_L1000_Similarity": 0.993775, "FDA_Category_X_Structural_Similarity": 0.31557, "FDA_Category_X_Weighted_Contribution": 0.721993, "FDA_Category_X_Top_Rank": -0.0691664, "FDA_Category_D_and_X_L1000_Similarity": 0.679656, "FDA_Category_D_and_X_Structural_Similarity": 0.0571478, "FDA_Category_D_and_X_Weighted_Contribution": 0.27892, "FDA_Category_D_and_X_Top_Rank": -0.0816979, "Placenta_Crossing_L1000_Similarity": 1.12494, "Placenta_Crossing_Structural_Similarity": 0.469161, "Placenta_Crossing_Weighted_Contribution": 0.906774, "Placenta_Crossing_Top_Rank": -0.0656478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44602378": { "type": "Drug", "properties": { "id": "CID:44602378", "label": "KU-C104129", "lsm": "LSM-3950", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44602378", "FDA_Category_D_L1000_Similarity": 0.0559038, "FDA_Category_D_Structural_Similarity": -0.401084, "FDA_Category_D_Weighted_Contribution": -0.432788, "FDA_Category_D_Top_Rank": -0.091704, "FDA_Category_X_L1000_Similarity": 0.534061, "FDA_Category_X_Structural_Similarity": -0.691423, "FDA_Category_X_Weighted_Contribution": -0.499994, "FDA_Category_X_Top_Rank": -0.0820458, "FDA_Category_D_and_X_L1000_Similarity": 0.210379, "FDA_Category_D_and_X_Structural_Similarity": -0.691434, "FDA_Category_D_and_X_Weighted_Contribution": -0.602162, "FDA_Category_D_and_X_Top_Rank": -0.0900701, "Placenta_Crossing_L1000_Similarity": 0.599617, "Placenta_Crossing_Structural_Similarity": -0.711847, "Placenta_Crossing_Weighted_Contribution": -0.479601, "Placenta_Crossing_Top_Rank": -0.0810154, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44607977": { "type": "Drug", "properties": { "id": "CID:44607977", "label": "ku-c104145", "lsm": "LSM-3921", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607977", "FDA_Category_D_L1000_Similarity": 1.11959, "FDA_Category_D_Structural_Similarity": -0.809644, "FDA_Category_D_Weighted_Contribution": -0.25128, "FDA_Category_D_Top_Rank": -0.0564457, "FDA_Category_X_L1000_Similarity": 0.989082, "FDA_Category_X_Structural_Similarity": -0.477956, "FDA_Category_X_Weighted_Contribution": -0.106031, "FDA_Category_X_Top_Rank": -0.07168, "FDA_Category_D_and_X_L1000_Similarity": 1.26546, "FDA_Category_D_and_X_Structural_Similarity": -0.900528, "FDA_Category_D_and_X_Weighted_Contribution": -0.299118, "FDA_Category_D_and_X_Top_Rank": -0.0500741, "Placenta_Crossing_L1000_Similarity": 1.18673, "Placenta_Crossing_Structural_Similarity": -0.538397, "Placenta_Crossing_Weighted_Contribution": -0.0768443, "Placenta_Crossing_Top_Rank": -0.0624666, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=CN=CC=C4)C5=CC=C(C=C5)OC", "InChI_key": "JPLXCDBAUDKKQW-UHFFFAOYSA-N" } }, "CID:44623840": { "type": "Drug", "properties": { "id": "CID:44623840", "label": "ku-c104227", "lsm": "LSM-3377", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44623840", "FDA_Category_D_L1000_Similarity": -0.118855, "FDA_Category_D_Structural_Similarity": -0.829847, "FDA_Category_D_Weighted_Contribution": -0.828071, "FDA_Category_D_Top_Rank": -0.0931535, "FDA_Category_X_L1000_Similarity": -1.00206, "FDA_Category_X_Structural_Similarity": -0.491736, "FDA_Category_X_Weighted_Contribution": -0.925883, "FDA_Category_X_Top_Rank": -0.0896674, "FDA_Category_D_and_X_L1000_Similarity": -0.406756, "FDA_Category_D_and_X_Structural_Similarity": -0.923999, "FDA_Category_D_and_X_Weighted_Contribution": -0.985208, "FDA_Category_D_and_X_Top_Rank": -0.0946998, "Placenta_Crossing_L1000_Similarity": -0.160749, "Placenta_Crossing_Structural_Similarity": -0.879438, "Placenta_Crossing_Weighted_Contribution": -0.87593, "Placenta_Crossing_Top_Rank": -0.0893567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=COC=C5)C6=CC=CC=C6", "InChI_key": "CXXWDCICUSMKLN-UHFFFAOYSA-N" } }, "CID:4488": { "type": "Drug", "properties": { "id": "CID:4488", "label": "niflumic acid", "lsm": "LSM-6016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4488", "FDA_Category_D_L1000_Similarity": 0.888432, "FDA_Category_D_Structural_Similarity": -0.427136, "FDA_Category_D_Weighted_Contribution": -0.0272026, "FDA_Category_D_Top_Rank": -0.0720918, "FDA_Category_X_L1000_Similarity": 0.81012, "FDA_Category_X_Structural_Similarity": -0.289299, "FDA_Category_X_Weighted_Contribution": -0.0103753, "FDA_Category_X_Top_Rank": -0.0766426, "FDA_Category_D_and_X_L1000_Similarity": 1.01187, "FDA_Category_D_and_X_Structural_Similarity": -0.495128, "FDA_Category_D_and_X_Weighted_Contribution": -0.0684073, "FDA_Category_D_and_X_Top_Rank": -0.068412, "Placenta_Crossing_L1000_Similarity": 0.851859, "Placenta_Crossing_Structural_Similarity": -0.441193, "Placenta_Crossing_Weighted_Contribution": -0.142645, "Placenta_Crossing_Top_Rank": -0.074926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F", "InChI_key": "JZFPYUNJRRFVQU-UHFFFAOYSA-N" } }, "CID:448912": { "type": "Drug", "properties": { "id": "CID:448912", "label": "6-phenyl[5h]pyrrolo[2,3-b]pyrazine", "lsm": "LSM-3131", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/448912", "FDA_Category_D_L1000_Similarity": 0.318648, "FDA_Category_D_Structural_Similarity": 0.0493522, "FDA_Category_D_Weighted_Contribution": 0.108978, "FDA_Category_D_Top_Rank": -0.0839456, "FDA_Category_X_L1000_Similarity": -1.27945, "FDA_Category_X_Structural_Similarity": 0.601057, "FDA_Category_X_Weighted_Contribution": -0.159134, "FDA_Category_X_Top_Rank": -0.0577595, "FDA_Category_D_and_X_L1000_Similarity": -0.113864, "FDA_Category_D_and_X_Structural_Similarity": 0.363499, "FDA_Category_D_and_X_Weighted_Contribution": 0.144221, "FDA_Category_D_and_X_Top_Rank": -0.0779367, "Placenta_Crossing_L1000_Similarity": 0.173856, "Placenta_Crossing_Structural_Similarity": 0.343406, "Placenta_Crossing_Weighted_Contribution": 0.274687, "Placenta_Crossing_Top_Rank": -0.0740227, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)O", "InChI_key": "PRIGRJPRGZCFAS-UHFFFAOYSA-N" } }, "CID:4495": { "type": "Drug", "properties": { "id": "CID:4495", "label": "nimesulide", "lsm": "LSM-3718", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4495", "FDA_Category_D_L1000_Similarity": 1.78204, "FDA_Category_D_Structural_Similarity": -0.693083, "FDA_Category_D_Weighted_Contribution": 0.221382, "FDA_Category_D_Top_Rank": 0.067265, "FDA_Category_X_L1000_Similarity": 0.00418146, "FDA_Category_X_Structural_Similarity": -0.76386, "FDA_Category_X_Weighted_Contribution": -0.76404, "FDA_Category_X_Top_Rank": -0.0875717, "FDA_Category_D_and_X_L1000_Similarity": 1.53742, "FDA_Category_D_and_X_Structural_Similarity": -0.962286, "FDA_Category_D_and_X_Weighted_Contribution": -0.221583, "FDA_Category_D_and_X_Top_Rank": -0.0175991, "Placenta_Crossing_L1000_Similarity": 2.04163, "Placenta_Crossing_Structural_Similarity": -0.797672, "Placenta_Crossing_Weighted_Contribution": 0.0861407, "Placenta_Crossing_Top_Rank": 0.0542028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2", "InChI_key": "HYWYRSMBCFDLJT-UHFFFAOYSA-N" } }, "CID:4507": { "type": "Drug", "properties": { "id": "CID:4507", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4507", "label": "nitrendipine", "FDA_Category_D_L1000_Similarity": 1.92069, "FDA_Category_D_Structural_Similarity": 4.25169, "FDA_Category_D_Weighted_Contribution": 4.11006, "FDA_Category_D_Top_Rank": 0.672864, "FDA_Category_X_L1000_Similarity": 2.36371, "FDA_Category_X_Structural_Similarity": -0.50576, "FDA_Category_X_Weighted_Contribution": 0.57245, "FDA_Category_X_Top_Rank": 0.0998193, "FDA_Category_D_and_X_L1000_Similarity": 2.37349, "FDA_Category_D_and_X_Structural_Similarity": 3.10172, "FDA_Category_D_and_X_Weighted_Contribution": 3.69379, "FDA_Category_D_and_X_Top_Rank": 0.34206, "Placenta_Crossing_L1000_Similarity": 2.03089, "Placenta_Crossing_Structural_Similarity": 2.29646, "Placenta_Crossing_Weighted_Contribution": 3.10408, "Placenta_Crossing_Top_Rank": 0.0618743, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C", "InChI_key": "PVHUJELLJLJGLN-UHFFFAOYSA-N" } }, "CID:45259136": { "type": "Drug", "properties": { "id": "CID:45259136", "label": "vu-0415010", "lsm": "LSM-3334", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45259136", "FDA_Category_D_L1000_Similarity": 0.303599, "FDA_Category_D_Structural_Similarity": 0.220952, "FDA_Category_D_Weighted_Contribution": 0.26958, "FDA_Category_D_Top_Rank": -0.0792945, "FDA_Category_X_L1000_Similarity": 0.192094, "FDA_Category_X_Structural_Similarity": -0.653008, "FDA_Category_X_Weighted_Contribution": -0.607748, "FDA_Category_X_Top_Rank": -0.0860194, "FDA_Category_D_and_X_L1000_Similarity": 0.320044, "FDA_Category_D_and_X_Structural_Similarity": -0.176988, "FDA_Category_D_and_X_Weighted_Contribution": -0.13113, "FDA_Category_D_and_X_Top_Rank": -0.0886489, "Placenta_Crossing_L1000_Similarity": 0.578753, "Placenta_Crossing_Structural_Similarity": 0.383995, "Placenta_Crossing_Weighted_Contribution": 0.524323, "Placenta_Crossing_Top_Rank": -0.0729403, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1F)NC(=N2)COCC3=NC4=C(N3)C=C(C=C4)F", "InChI_key": "UCYKBUFMLZUPTK-UHFFFAOYSA-N" } }, "CID:4633": { "type": "Drug", "properties": { "id": "CID:4633", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4633", "label": "oxybuprocaine", "FDA_Category_D_L1000_Similarity": 1.16357, "FDA_Category_D_Structural_Similarity": 0.186276, "FDA_Category_D_Weighted_Contribution": 0.758004, "FDA_Category_D_Top_Rank": -0.0521789, "FDA_Category_X_L1000_Similarity": 0.377419, "FDA_Category_X_Structural_Similarity": -0.113136, "FDA_Category_X_Weighted_Contribution": -0.0496318, "FDA_Category_X_Top_Rank": -0.0826311, "FDA_Category_D_and_X_L1000_Similarity": 1.11763, "FDA_Category_D_and_X_Structural_Similarity": 0.0868022, "FDA_Category_D_and_X_Weighted_Contribution": 0.556648, "FDA_Category_D_and_X_Top_Rank": -0.0612539, "Placenta_Crossing_L1000_Similarity": 1.06458, "Placenta_Crossing_Structural_Similarity": 0.63336, "Placenta_Crossing_Weighted_Contribution": 1.05051, "Placenta_Crossing_Top_Rank": -0.0653091, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N", "InChI_key": "CMHHMUWAYWTMGS-UHFFFAOYSA-N" } }, "CID:46700756": { "type": "Drug", "properties": { "id": "CID:46700756", "label": "prexasertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46700756", "FDA_Category_D_L1000_Similarity": -0.503298, "FDA_Category_D_Structural_Similarity": -0.214397, "FDA_Category_D_Weighted_Contribution": -0.545217, "FDA_Category_D_Top_Rank": -0.0898082, "FDA_Category_X_L1000_Similarity": -2.4981, "FDA_Category_X_Structural_Similarity": -0.681219, "FDA_Category_X_Weighted_Contribution": -1.43254, "FDA_Category_X_Top_Rank": -0.0918072, "FDA_Category_D_and_X_L1000_Similarity": -1.19247, "FDA_Category_D_and_X_Structural_Similarity": -0.537753, "FDA_Category_D_and_X_Weighted_Contribution": -1.0165, "FDA_Category_D_and_X_Top_Rank": -0.0943076, "Placenta_Crossing_L1000_Similarity": -2.14321, "Placenta_Crossing_Structural_Similarity": -0.812923, "Placenta_Crossing_Weighted_Contribution": -1.36418, "Placenta_Crossing_Top_Rank": -0.091799, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N", "InChI_key": "DOTGPNHGTYJDEP-UHFFFAOYSA-N" } }, "CID:4679": { "type": "Drug", "properties": { "id": "CID:4679", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4679", "label": "pantoprazole", "ref": "LSM-1390", "FDA_Category_D_L1000_Similarity": 1.14928, "FDA_Category_D_Structural_Similarity": 0.761838, "FDA_Category_D_Weighted_Contribution": 1.37581, "FDA_Category_D_Top_Rank": -0.0537137, "FDA_Category_X_L1000_Similarity": 1.24686, "FDA_Category_X_Structural_Similarity": 0.684576, "FDA_Category_X_Weighted_Contribution": 1.28248, "FDA_Category_X_Top_Rank": -0.0546077, "FDA_Category_D_and_X_L1000_Similarity": 1.36935, "FDA_Category_D_and_X_Structural_Similarity": 0.974075, "FDA_Category_D_and_X_Weighted_Contribution": 1.64705, "FDA_Category_D_and_X_Top_Rank": -0.0404276, "Placenta_Crossing_L1000_Similarity": 1.16969, "Placenta_Crossing_Structural_Similarity": 0.19987, "Placenta_Crossing_Weighted_Contribution": 0.644866, "Placenta_Crossing_Top_Rank": -0.0633694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC", "InChI_key": "IQPSEEYGBUAQFF-UHFFFAOYSA-N" } }, "CID:46843772": { "type": "Drug", "properties": { "id": "CID:46843772", "label": "xmd-892", "lsm": "LSM-1094", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46843772", "FDA_Category_D_L1000_Similarity": -0.692018, "FDA_Category_D_Structural_Similarity": -0.606826, "FDA_Category_D_Weighted_Contribution": -0.901792, "FDA_Category_D_Top_Rank": -0.0951115, "FDA_Category_X_L1000_Similarity": -1.3363, "FDA_Category_X_Structural_Similarity": 0.744563, "FDA_Category_X_Weighted_Contribution": -0.0494905, "FDA_Category_X_Top_Rank": -0.0519188, "FDA_Category_D_and_X_L1000_Similarity": -1.00234, "FDA_Category_D_and_X_Structural_Similarity": -0.0798832, "FDA_Category_D_and_X_Weighted_Contribution": -0.652101, "FDA_Category_D_and_X_Top_Rank": -0.0879528, "Placenta_Crossing_L1000_Similarity": 0.0764071, "Placenta_Crossing_Structural_Similarity": 1.80115, "Placenta_Crossing_Weighted_Contribution": 1.76545, "Placenta_Crossing_Top_Rank": 0.0117303, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C", "InChI_key": "QAPAJIZPZGWAND-UHFFFAOYSA-N" } }, "CID:4684627": { "type": "Drug", "properties": { "id": "CID:4684627", "label": "rwj-21757", "lsm": "LSM-1436", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4684627", "FDA_Category_D_L1000_Similarity": 0.593855, "FDA_Category_D_Structural_Similarity": -0.443632, "FDA_Category_D_Weighted_Contribution": -0.199939, "FDA_Category_D_Top_Rank": -0.0828118, "FDA_Category_X_L1000_Similarity": 0.129716, "FDA_Category_X_Structural_Similarity": -0.674566, "FDA_Category_X_Weighted_Contribution": -0.649175, "FDA_Category_X_Top_Rank": -0.086605, "FDA_Category_D_and_X_L1000_Similarity": 0.551304, "FDA_Category_D_and_X_Structural_Similarity": -0.716109, "FDA_Category_D_and_X_Weighted_Contribution": -0.475072, "FDA_Category_D_and_X_Top_Rank": -0.0846868, "Placenta_Crossing_L1000_Similarity": 1.22525, "Placenta_Crossing_Structural_Similarity": -0.653927, "Placenta_Crossing_Weighted_Contribution": -0.163476, "Placenta_Crossing_Top_Rank": -0.0606711, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)C3C(C(C(O3)CO)O)O", "InChI_key": "VDCRFBBZFHHYGT-UHFFFAOYSA-N" } }, "CID:46861623": { "type": "Drug", "properties": { "id": "CID:46861623", "label": "alvelestat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46861623", "FDA_Category_D_L1000_Similarity": 1.11658, "FDA_Category_D_Structural_Similarity": -0.722842, "FDA_Category_D_Weighted_Contribution": -0.175903, "FDA_Category_D_Top_Rank": -0.0567474, "FDA_Category_X_L1000_Similarity": 3.18767, "FDA_Category_X_Structural_Similarity": -0.609395, "FDA_Category_X_Weighted_Contribution": 0.915533, "FDA_Category_X_Top_Rank": 0.869751, "FDA_Category_D_and_X_L1000_Similarity": 1.93055, "FDA_Category_D_and_X_Structural_Similarity": -0.902556, "FDA_Category_D_and_X_Weighted_Contribution": 0.0306468, "FDA_Category_D_and_X_Top_Rank": 0.0673377, "Placenta_Crossing_L1000_Similarity": 2.19104, "Placenta_Crossing_Structural_Similarity": -0.878876, "Placenta_Crossing_Weighted_Contribution": 0.0809818, "Placenta_Crossing_Top_Rank": 0.103718, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C", "InChI_key": "QNQZWEGMKJBHEM-UHFFFAOYSA-N" } }, "CID:46926574": { "type": "Drug", "properties": { "id": "CID:46926574", "label": "mw-a1-18", "lsm": "LSM-4791", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46926574", "FDA_Category_D_L1000_Similarity": 0.201981, "FDA_Category_D_Structural_Similarity": 0.129827, "FDA_Category_D_Weighted_Contribution": 0.120779, "FDA_Category_D_Top_Rank": -0.0817128, "FDA_Category_X_L1000_Similarity": 1.8454, "FDA_Category_X_Structural_Similarity": 1.1103, "FDA_Category_X_Weighted_Contribution": 2.09521, "FDA_Category_X_Top_Rank": -0.0135502, "FDA_Category_D_and_X_L1000_Similarity": 0.73452, "FDA_Category_D_and_X_Structural_Similarity": 0.70216, "FDA_Category_D_and_X_Weighted_Contribution": 0.977861, "FDA_Category_D_and_X_Top_Rank": -0.0670892, "Placenta_Crossing_L1000_Similarity": 0.969424, "Placenta_Crossing_Structural_Similarity": 1.7373, "Placenta_Crossing_Weighted_Contribution": 2.16269, "Placenta_Crossing_Top_Rank": 0.00232031, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)SC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]", "InChI_key": "AYTFWRLTLWWBCW-UHFFFAOYSA-N" } }, "CID:4725": { "type": "Drug", "properties": { "id": "CID:4725", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4725", "label": "penciclovir", "FDA_Category_D_L1000_Similarity": 1.89261, "FDA_Category_D_Structural_Similarity": 0.594826, "FDA_Category_D_Weighted_Contribution": 1.66699, "FDA_Category_D_Top_Rank": 0.116882, "FDA_Category_X_L1000_Similarity": 2.91764, "FDA_Category_X_Structural_Similarity": 1.6911, "FDA_Category_X_Weighted_Contribution": 3.16007, "FDA_Category_X_Top_Rank": 0.443957, "FDA_Category_D_and_X_L1000_Similarity": 2.51749, "FDA_Category_D_and_X_Structural_Similarity": 1.38463, "FDA_Category_D_and_X_Weighted_Contribution": 2.66209, "FDA_Category_D_and_X_Top_Rank": 0.514358, "Placenta_Crossing_L1000_Similarity": 1.51137, "Placenta_Crossing_Structural_Similarity": 1.99166, "Placenta_Crossing_Weighted_Contribution": 2.6548, "Placenta_Crossing_Top_Rank": 0.031214, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N", "InChI_key": "JNTOCHDNEULJHD-UHFFFAOYSA-N" } }, "CID:4855": { "type": "Drug", "properties": { "id": "CID:4855", "label": "piromidic acid", "lsm": "LSM-5506", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4855", "FDA_Category_D_L1000_Similarity": 0.490153, "FDA_Category_D_Structural_Similarity": -0.739903, "FDA_Category_D_Weighted_Contribution": -0.500954, "FDA_Category_D_Top_Rank": -0.0854791, "FDA_Category_X_L1000_Similarity": -0.896552, "FDA_Category_X_Structural_Similarity": 0.175969, "FDA_Category_X_Weighted_Contribution": -0.370788, "FDA_Category_X_Top_Rank": -0.0741092, "FDA_Category_D_and_X_L1000_Similarity": 0.150253, "FDA_Category_D_and_X_Structural_Similarity": -0.492318, "FDA_Category_D_and_X_Weighted_Contribution": -0.475878, "FDA_Category_D_and_X_Top_Rank": -0.0907977, "Placenta_Crossing_L1000_Similarity": 0.48304, "Placenta_Crossing_Structural_Similarity": -0.338098, "Placenta_Crossing_Weighted_Contribution": -0.217083, "Placenta_Crossing_Top_Rank": -0.0832599, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCCC3)C(=O)O", "InChI_key": "RCIMBBZXSXFZBV-UHFFFAOYSA-N" } }, "CID:4883": { "type": "Drug", "properties": { "id": "CID:4883", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4883", "label": "practolol", "FDA_Category_D_L1000_Similarity": 0.020274, "FDA_Category_D_Structural_Similarity": 1.14276, "FDA_Category_D_Weighted_Contribution": 1.06921, "FDA_Category_D_Top_Rank": -0.0433775, "FDA_Category_X_L1000_Similarity": 0.544672, "FDA_Category_X_Structural_Similarity": 0.407719, "FDA_Category_X_Weighted_Contribution": 0.575968, "FDA_Category_X_Top_Rank": -0.0655498, "FDA_Category_D_and_X_L1000_Similarity": 0.182888, "FDA_Category_D_and_X_Structural_Similarity": 1.12703, "FDA_Category_D_and_X_Weighted_Contribution": 1.10148, "FDA_Category_D_and_X_Top_Rank": -0.0439099, "Placenta_Crossing_L1000_Similarity": 0.617245, "Placenta_Crossing_Structural_Similarity": 6.82106, "Placenta_Crossing_Weighted_Contribution": 4.32514, "Placenta_Crossing_Top_Rank": 4.82419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O", "InChI_key": "DURULFYMVIFBIR-UHFFFAOYSA-N" } }, "CID:4935": { "type": "Drug", "properties": { "id": "CID:4935", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4935", "label": "proparacaine", "FDA_Category_D_L1000_Similarity": 1.16184, "FDA_Category_D_Structural_Similarity": 0.152864, "FDA_Category_D_Weighted_Contribution": 0.72113, "FDA_Category_D_Top_Rank": -0.052404, "FDA_Category_X_L1000_Similarity": 0.497499, "FDA_Category_X_Structural_Similarity": -0.0733294, "FDA_Category_X_Weighted_Contribution": 0.0482552, "FDA_Category_X_Top_Rank": -0.0815494, "FDA_Category_D_and_X_L1000_Similarity": 1.15262, "FDA_Category_D_and_X_Structural_Similarity": 0.0817621, "FDA_Category_D_and_X_Weighted_Contribution": 0.571677, "FDA_Category_D_and_X_Top_Rank": -0.0590443, "Placenta_Crossing_L1000_Similarity": 2.10779, "Placenta_Crossing_Structural_Similarity": 0.459326, "Placenta_Crossing_Weighted_Contribution": 1.43412, "Placenta_Crossing_Top_Rank": 0.0763441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N", "InChI_key": "KCLANYCVBBTKTO-UHFFFAOYSA-N" } }, "CID:5042": { "type": "Drug", "properties": { "id": "CID:5042", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5042", "label": "rebamipide", "FDA_Category_D_L1000_Similarity": 0.879998, "FDA_Category_D_Structural_Similarity": 0.715937, "FDA_Category_D_Weighted_Contribution": 1.153, "FDA_Category_D_Top_Rank": -0.0636108, "FDA_Category_X_L1000_Similarity": 1.07238, "FDA_Category_X_Structural_Similarity": 1.90828, "FDA_Category_X_Weighted_Contribution": 2.52258, "FDA_Category_X_Top_Rank": 0.0295491, "FDA_Category_D_and_X_L1000_Similarity": 1.08422, "FDA_Category_D_and_X_Structural_Similarity": 1.59795, "FDA_Category_D_and_X_Weighted_Contribution": 2.12011, "FDA_Category_D_and_X_Top_Rank": -0.00605263, "Placenta_Crossing_L1000_Similarity": 2.43357, "Placenta_Crossing_Structural_Similarity": -0.445256, "Placenta_Crossing_Weighted_Contribution": 0.640719, "Placenta_Crossing_Top_Rank": 0.235919, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl", "InChI_key": "ALLWOAVDORUJLA-UHFFFAOYSA-N" } }, "CID:51360697": { "type": "Drug", "properties": { "id": "CID:51360697", "label": "KUC107191N", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51360697", "FDA_Category_D_L1000_Similarity": -0.598341, "FDA_Category_D_Structural_Similarity": 1.52326, "FDA_Category_D_Weighted_Contribution": 1.08916, "FDA_Category_D_Top_Rank": -0.0150585, "FDA_Category_X_L1000_Similarity": 0.0850939, "FDA_Category_X_Structural_Similarity": -0.186188, "FDA_Category_X_Weighted_Contribution": -0.255629, "FDA_Category_X_Top_Rank": -0.0842556, "FDA_Category_D_and_X_L1000_Similarity": -0.489937, "FDA_Category_D_and_X_Structural_Similarity": 1.10857, "FDA_Category_D_and_X_Weighted_Contribution": 0.68183, "FDA_Category_D_and_X_Top_Rank": -0.0455672, "Placenta_Crossing_L1000_Similarity": -0.208856, "Placenta_Crossing_Structural_Similarity": -0.492517, "Placenta_Crossing_Weighted_Contribution": -0.62581, "Placenta_Crossing_Top_Rank": -0.0896094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:51371328": { "type": "Drug", "properties": { "id": "CID:51371328", "label": "estramustine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51371328", "FDA_Category_D_L1000_Similarity": 1.37625, "FDA_Category_D_Structural_Similarity": 2.77701, "FDA_Category_D_Weighted_Contribution": 3.33691, "FDA_Category_D_Top_Rank": 0.181144, "FDA_Category_X_L1000_Similarity": 1.23946, "FDA_Category_X_Structural_Similarity": 1.26267, "FDA_Category_X_Weighted_Contribution": 1.93064, "FDA_Category_X_Top_Rank": -0.0238273, "FDA_Category_D_and_X_L1000_Similarity": 1.56276, "FDA_Category_D_and_X_Structural_Similarity": 2.88548, "FDA_Category_D_and_X_Weighted_Contribution": 3.35566, "FDA_Category_D_and_X_Top_Rank": 0.173007, "Placenta_Crossing_L1000_Similarity": 0.00321304, "Placenta_Crossing_Structural_Similarity": 1.1702, "Placenta_Crossing_Weighted_Contribution": 1.04879, "Placenta_Crossing_Top_Rank": -0.0413284, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5161": { "type": "Drug", "properties": { "id": "CID:5161", "label": "salsalate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5161", "FDA_Category_D_L1000_Similarity": -0.871, "FDA_Category_D_Structural_Similarity": -0.703567, "FDA_Category_D_Weighted_Contribution": -1.0251, "FDA_Category_D_Top_Rank": -0.0958747, "FDA_Category_X_L1000_Similarity": 0.511849, "FDA_Category_X_Structural_Similarity": -0.2546, "FDA_Category_X_Weighted_Contribution": -0.120722, "FDA_Category_X_Top_Rank": -0.0823619, "FDA_Category_D_and_X_L1000_Similarity": -0.595369, "FDA_Category_D_and_X_Structural_Similarity": -0.695812, "FDA_Category_D_and_X_Weighted_Contribution": -0.911659, "FDA_Category_D_and_X_Top_Rank": -0.0953924, "Placenta_Crossing_L1000_Similarity": 0.641026, "Placenta_Crossing_Structural_Similarity": -0.574313, "Placenta_Crossing_Weighted_Contribution": -0.350583, "Placenta_Crossing_Top_Rank": -0.0801495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O", "InChI_key": "WVYADZUPLLSGPU-UHFFFAOYSA-N" } }, "CID:5282451": { "type": "Drug", "properties": { "id": "CID:5282451", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282451", "label": "pitavastatin", "FDA_Category_D_L1000_Similarity": -2.58954, "FDA_Category_D_Structural_Similarity": 1.197, "FDA_Category_D_Weighted_Contribution": -0.392423, "FDA_Category_D_Top_Rank": -0.040098, "FDA_Category_X_L1000_Similarity": 1.50407, "FDA_Category_X_Structural_Similarity": 13.6465, "FDA_Category_X_Weighted_Contribution": 4.72684, "FDA_Category_X_Top_Rank": 13.45, "FDA_Category_D_and_X_L1000_Similarity": -1.77547, "FDA_Category_D_and_X_Structural_Similarity": 8.31367, "FDA_Category_D_and_X_Weighted_Contribution": 4.29726, "FDA_Category_D_and_X_Top_Rank": 11.3806, "Placenta_Crossing_L1000_Similarity": -2.82505, "Placenta_Crossing_Structural_Similarity": 6.1705, "Placenta_Crossing_Weighted_Contribution": 3.85114, "Placenta_Crossing_Top_Rank": 2.06758, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]", "InChI_key": "RHGYHLPFVJEAOC-FFNUKLMVSA-L" } }, "CID:53001": { "type": "Drug", "properties": { "id": "CID:53001", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53001", "label": "dazoxiben", "FDA_Category_D_L1000_Similarity": 0.920075, "FDA_Category_D_Structural_Similarity": 0.72898, "FDA_Category_D_Weighted_Contribution": 1.19297, "FDA_Category_D_Top_Rank": -0.0630313, "FDA_Category_X_L1000_Similarity": 0.99962, "FDA_Category_X_Structural_Similarity": -0.0900792, "FDA_Category_X_Weighted_Contribution": 0.287153, "FDA_Category_X_Top_Rank": -0.0713835, "FDA_Category_D_and_X_L1000_Similarity": 1.09669, "FDA_Category_D_and_X_Structural_Similarity": 0.529994, "FDA_Category_D_and_X_Weighted_Contribution": 1.0108, "FDA_Category_D_and_X_Top_Rank": -0.0629465, "Placenta_Crossing_L1000_Similarity": 1.47487, "Placenta_Crossing_Structural_Similarity": -0.0745074, "Placenta_Crossing_Weighted_Contribution": 0.520292, "Placenta_Crossing_Top_Rank": -0.042446, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2", "InChI_key": "XQGZSYKGWHUSDH-UHFFFAOYSA-N" } }, "CID:5312531": { "type": "Drug", "properties": { "id": "CID:5312531", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5312531", "label": "mead-acid", "FDA_Category_D_L1000_Similarity": 1.83684, "FDA_Category_D_Structural_Similarity": 0.137475, "FDA_Category_D_Weighted_Contribution": 1.13314, "FDA_Category_D_Top_Rank": 0.0876446, "FDA_Category_X_L1000_Similarity": 0.564078, "FDA_Category_X_Structural_Similarity": 1.28523, "FDA_Category_X_Weighted_Contribution": 1.57746, "FDA_Category_X_Top_Rank": -0.0221154, "FDA_Category_D_and_X_L1000_Similarity": 1.75468, "FDA_Category_D_and_X_Structural_Similarity": 0.802623, "FDA_Category_D_and_X_Weighted_Contribution": 1.69372, "FDA_Category_D_and_X_Top_Rank": 0.023429, "Placenta_Crossing_L1000_Similarity": 1.48944, "Placenta_Crossing_Structural_Similarity": 1.4493, "Placenta_Crossing_Weighted_Contribution": 2.13874, "Placenta_Crossing_Top_Rank": -0.0237937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCC=CCC=CCC=CCCCC(=O)O", "InChI_key": "UNSRRHDPHVZAHH-YOILPLPUSA-N" } }, "CID:5319": { "type": "Drug", "properties": { "id": "CID:5319", "label": "sulfabenzamide", "lsm": "LSM-5698", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5319", "FDA_Category_D_L1000_Similarity": 1.43907, "FDA_Category_D_Structural_Similarity": -0.079949, "FDA_Category_D_Weighted_Contribution": 0.64605, "FDA_Category_D_Top_Rank": -0.019056, "FDA_Category_X_L1000_Similarity": 0.841644, "FDA_Category_X_Structural_Similarity": -0.462827, "FDA_Category_X_Weighted_Contribution": -0.161457, "FDA_Category_X_Top_Rank": -0.0758781, "FDA_Category_D_and_X_L1000_Similarity": 1.49609, "FDA_Category_D_and_X_Structural_Similarity": -0.313196, "FDA_Category_D_and_X_Weighted_Contribution": 0.365715, "FDA_Category_D_and_X_Top_Rank": -0.0241717, "Placenta_Crossing_L1000_Similarity": 1.65879, "Placenta_Crossing_Structural_Similarity": 1.32013, "Placenta_Crossing_Weighted_Contribution": 2.09565, "Placenta_Crossing_Top_Rank": -0.0210825, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "PBCZLFBEBARBBI-UHFFFAOYSA-N" } }, "CID:5329099": { "type": "Drug", "properties": { "id": "CID:5329099", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5329099", "label": "orantinib", "FDA_Category_D_L1000_Similarity": 1.97797, "FDA_Category_D_Structural_Similarity": 1.27013, "FDA_Category_D_Weighted_Contribution": 2.40865, "FDA_Category_D_Top_Rank": 0.176984, "FDA_Category_X_L1000_Similarity": 1.07411, "FDA_Category_X_Structural_Similarity": 0.111417, "FDA_Category_X_Weighted_Contribution": 0.541787, "FDA_Category_X_Top_Rank": -0.0689661, "FDA_Category_D_and_X_L1000_Similarity": 2.03123, "FDA_Category_D_and_X_Structural_Similarity": 1.06824, "FDA_Category_D_and_X_Weighted_Contribution": 2.12125, "FDA_Category_D_and_X_Top_Rank": 0.108833, "Placenta_Crossing_L1000_Similarity": 2.55196, "Placenta_Crossing_Structural_Similarity": -0.17749, "Placenta_Crossing_Weighted_Contribution": 0.989836, "Placenta_Crossing_Top_Rank": 0.324703, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=CC=CC=C3NC2=O", "InChI_key": "NHFDRBXTEDBWCZ-ZROIWOOFSA-N" } }, "CID:5329102": { "type": "Drug", "properties": { "id": "CID:5329102", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5329102", "label": "sunitinib", "FDA_Category_D_L1000_Similarity": -1.87137, "FDA_Category_D_Structural_Similarity": -0.0653503, "FDA_Category_D_Weighted_Contribution": -0.994085, "FDA_Category_D_Top_Rank": -0.0866872, "FDA_Category_X_L1000_Similarity": 0.41911, "FDA_Category_X_Structural_Similarity": 0.330009, "FDA_Category_X_Weighted_Contribution": 0.424086, "FDA_Category_X_Top_Rank": -0.0684369, "FDA_Category_D_and_X_L1000_Similarity": -1.48588, "FDA_Category_D_and_X_Structural_Similarity": 0.126202, "FDA_Category_D_and_X_Weighted_Contribution": -0.698447, "FDA_Category_D_and_X_Top_Rank": -0.0833252, "Placenta_Crossing_L1000_Similarity": -1.70721, "Placenta_Crossing_Structural_Similarity": 1.64076, "Placenta_Crossing_Weighted_Contribution": 0.62538, "Placenta_Crossing_Top_Rank": -0.009047, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C", "InChI_key": "WINHZLLDWRZWRT-ATVHPVEESA-N" } }, "CID:53358942": { "type": "Drug", "properties": { "id": "CID:53358942", "label": "idasanutlin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53358942", "FDA_Category_D_L1000_Similarity": -1.04457, "FDA_Category_D_Structural_Similarity": 0.292301, "FDA_Category_D_Weighted_Contribution": -0.392408, "FDA_Category_D_Top_Rank": -0.077358, "FDA_Category_X_L1000_Similarity": -2.98471, "FDA_Category_X_Structural_Similarity": 0.759694, "FDA_Category_X_Weighted_Contribution": -0.743478, "FDA_Category_X_Top_Rank": -0.0514845, "FDA_Category_D_and_X_L1000_Similarity": -1.80683, "FDA_Category_D_and_X_Structural_Similarity": 0.641931, "FDA_Category_D_and_X_Weighted_Contribution": -0.446479, "FDA_Category_D_and_X_Top_Rank": -0.0692477, "Placenta_Crossing_L1000_Similarity": -2.63519, "Placenta_Crossing_Structural_Similarity": -0.319413, "Placenta_Crossing_Weighted_Contribution": -1.25793, "Placenta_Crossing_Top_Rank": -0.087773, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CC1C(C(C(N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F", "InChI_key": "TVTXCJFHQKSQQM-LJQIRTBHSA-N" } }, "CID:5351542": { "type": "Drug", "properties": { "id": "CID:5351542", "label": "morphothebaine", "lsm": "LSM-2702", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5351542", "FDA_Category_D_L1000_Similarity": 1.32703, "FDA_Category_D_Structural_Similarity": 0.0134443, "FDA_Category_D_Weighted_Contribution": 0.675578, "FDA_Category_D_Top_Rank": -0.0347701, "FDA_Category_X_L1000_Similarity": 1.61802, "FDA_Category_X_Structural_Similarity": 3.04746, "FDA_Category_X_Weighted_Contribution": 3.65552, "FDA_Category_X_Top_Rank": 0.232477, "FDA_Category_D_and_X_L1000_Similarity": 1.63528, "FDA_Category_D_and_X_Structural_Similarity": 1.65507, "FDA_Category_D_and_X_Weighted_Contribution": 2.46576, "FDA_Category_D_and_X_Top_Rank": 4.19176e-05, "Placenta_Crossing_L1000_Similarity": 0.822773, "Placenta_Crossing_Structural_Similarity": -0.735514, "Placenta_Crossing_Weighted_Contribution": -0.407564, "Placenta_Crossing_Top_Rank": -0.075689, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)OC)O", "InChI_key": "LEWKYIVLAXKZAS-CQSZACIVSA-N" } }, "CID:5353685": { "type": "Drug", "properties": { "id": "CID:5353685", "label": "i-ome-ag-538", "lsm": "LSM-2771", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353685", "FDA_Category_D_L1000_Similarity": 0.226592, "FDA_Category_D_Structural_Similarity": -0.875898, "FDA_Category_D_Weighted_Contribution": -0.719964, "FDA_Category_D_Top_Rank": -0.0898942, "FDA_Category_X_L1000_Similarity": 1.03911, "FDA_Category_X_Structural_Similarity": -0.63284, "FDA_Category_X_Weighted_Contribution": -0.227525, "FDA_Category_X_Top_Rank": -0.0702699, "FDA_Category_D_and_X_L1000_Similarity": 0.510885, "FDA_Category_D_and_X_Structural_Similarity": -1.03669, "FDA_Category_D_and_X_Weighted_Contribution": -0.72888, "FDA_Category_D_and_X_Top_Rank": -0.0854193, "Placenta_Crossing_L1000_Similarity": 0.791558, "Placenta_Crossing_Structural_Similarity": -1.06896, "Placenta_Crossing_Weighted_Contribution": -0.676157, "Placenta_Crossing_Top_Rank": -0.0766061, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC(=C(C=C2)O)O)I)O", "InChI_key": "HSRMHXWCTRFVHK-NYYWCZLTSA-N" } }, "CID:5362119": { "type": "Drug", "properties": { "id": "CID:5362119", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5362119", "label": "lisinopril", "ref": "LSM-5756", "FDA_Category_D_L1000_Similarity": 0.249471, "FDA_Category_D_Structural_Similarity": 7.76709, "FDA_Category_D_Weighted_Contribution": 4.44091, "FDA_Category_D_Top_Rank": 3.72511, "FDA_Category_X_L1000_Similarity": 0.431472, "FDA_Category_X_Structural_Similarity": -0.131452, "FDA_Category_X_Weighted_Contribution": -0.0411733, "FDA_Category_X_Top_Rank": -0.0830035, "FDA_Category_D_and_X_L1000_Similarity": 0.346089, "FDA_Category_D_and_X_Structural_Similarity": 6.09391, "FDA_Category_D_and_X_Weighted_Contribution": 4.18627, "FDA_Category_D_and_X_Top_Rank": 2.28939, "Placenta_Crossing_L1000_Similarity": 2.02675, "Placenta_Crossing_Structural_Similarity": 5.33373, "Placenta_Crossing_Weighted_Contribution": 4.23866, "Placenta_Crossing_Top_Rank": 1.29008, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O", "InChI_key": "RLAWWYSOJDYHDC-BZSNNMDCSA-N" } }, "CID:5362124": { "type": "Drug", "properties": { "id": "CID:5362124", "label": "benazepril", "lsm": "LSM-5609", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5362124", "IDG_ID": "299", "FDA_Category_D_L1000_Similarity": 0.927142, "FDA_Category_D_Structural_Similarity": 5.50285, "FDA_Category_D_Weighted_Contribution": 4.25163, "FDA_Category_D_Top_Rank": 1.53754, "FDA_Category_X_L1000_Similarity": 1.87639, "FDA_Category_X_Structural_Similarity": 0.189474, "FDA_Category_X_Weighted_Contribution": 1.07719, "FDA_Category_X_Top_Rank": -0.00941242, "FDA_Category_D_and_X_L1000_Similarity": 1.36904, "FDA_Category_D_and_X_Structural_Similarity": 4.46992, "FDA_Category_D_and_X_Weighted_Contribution": 3.97182, "FDA_Category_D_and_X_Top_Rank": 0.922284, "Placenta_Crossing_L1000_Similarity": 2.01429, "Placenta_Crossing_Structural_Similarity": 3.61236, "Placenta_Crossing_Weighted_Contribution": 3.81234, "Placenta_Crossing_Top_Rank": 0.385136, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O", "InChI_key": "XPCFTKFZXHTYIP-PMACEKPBSA-N" } }, "CID:5385074": { "type": "Drug", "properties": { "id": "CID:5385074", "label": "kakonein", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5385074", "FDA_Category_D_L1000_Similarity": 0.0569783, "FDA_Category_D_Structural_Similarity": 1.59442, "FDA_Category_D_Weighted_Contribution": 1.58574, "FDA_Category_D_Top_Rank": -0.00645879, "FDA_Category_X_L1000_Similarity": 0.915422, "FDA_Category_X_Structural_Similarity": -0.447375, "FDA_Category_X_Weighted_Contribution": -0.112007, "FDA_Category_X_Top_Rank": -0.0739719, "FDA_Category_D_and_X_L1000_Similarity": 0.327116, "FDA_Category_D_and_X_Structural_Similarity": 1.02411, "FDA_Category_D_and_X_Weighted_Contribution": 1.07786, "FDA_Category_D_and_X_Top_Rank": -0.0518681, "Placenta_Crossing_L1000_Similarity": 1.3215, "Placenta_Crossing_Structural_Similarity": 0.856372, "Placenta_Crossing_Weighted_Contribution": 1.43214, "Placenta_Crossing_Top_Rank": -0.0542318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5450": { "type": "Drug", "properties": { "id": "CID:5450", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5450", "label": "thioperamide", "FDA_Category_D_L1000_Similarity": 0.451401, "FDA_Category_D_Structural_Similarity": 0.982783, "FDA_Category_D_Weighted_Contribution": 1.17037, "FDA_Category_D_Top_Rank": -0.0513052, "FDA_Category_X_L1000_Similarity": 1.03265, "FDA_Category_X_Structural_Similarity": -0.575191, "FDA_Category_X_Weighted_Contribution": -0.177151, "FDA_Category_X_Top_Rank": -0.0704666, "FDA_Category_D_and_X_L1000_Similarity": 0.702715, "FDA_Category_D_and_X_Structural_Similarity": 0.469677, "FDA_Category_D_and_X_Weighted_Contribution": 0.712878, "FDA_Category_D_and_X_Top_Rank": -0.0748968, "Placenta_Crossing_L1000_Similarity": 1.00571, "Placenta_Crossing_Structural_Similarity": 0.183234, "Placenta_Crossing_Weighted_Contribution": 0.54072, "Placenta_Crossing_Top_Rank": -0.0701534, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)N=C(N2CCC(CC2)C3=CN=CN3)S", "InChI_key": "QKDDJDBFONZGBW-UHFFFAOYSA-N" } }, "CID:54585": { "type": "Drug", "properties": { "id": "CID:54585", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54585", "label": "balsalazide", "FDA_Category_D_L1000_Similarity": 0.574557, "FDA_Category_D_Structural_Similarity": -0.104541, "FDA_Category_D_Weighted_Contribution": 0.105067, "FDA_Category_D_Top_Rank": -0.0833167, "FDA_Category_X_L1000_Similarity": 0.110564, "FDA_Category_X_Structural_Similarity": 0.47694, "FDA_Category_X_Weighted_Contribution": 0.41611, "FDA_Category_X_Top_Rank": -0.0629535, "FDA_Category_D_and_X_L1000_Similarity": 0.528854, "FDA_Category_D_and_X_Structural_Similarity": 0.174379, "FDA_Category_D_and_X_Weighted_Contribution": 0.31126, "FDA_Category_D_and_X_Top_Rank": -0.0822242, "Placenta_Crossing_L1000_Similarity": -0.0996209, "Placenta_Crossing_Structural_Similarity": 1.9832, "Placenta_Crossing_Weighted_Contribution": 1.86222, "Placenta_Crossing_Top_Rank": 0.0305971, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O", "InChI_key": "IPOKCKJONYRRHP-UHFFFAOYSA-N" } }, "CID:54616417": { "type": "Drug", "properties": { "id": "CID:54616417", "label": "SA-424755", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54616417", "FDA_Category_D_L1000_Similarity": -0.731176, "FDA_Category_D_Structural_Similarity": -0.127013, "FDA_Category_D_Weighted_Contribution": -0.580809, "FDA_Category_D_Top_Rank": -0.0881522, "FDA_Category_X_L1000_Similarity": -1.18825, "FDA_Category_X_Structural_Similarity": -0.0798531, "FDA_Category_X_Weighted_Contribution": -0.698937, "FDA_Category_X_Top_Rank": -0.0817191, "FDA_Category_D_and_X_L1000_Similarity": -0.991138, "FDA_Category_D_and_X_Structural_Similarity": -0.1439, "FDA_Category_D_and_X_Weighted_Contribution": -0.693343, "FDA_Category_D_and_X_Top_Rank": -0.0891622, "Placenta_Crossing_L1000_Similarity": -0.915419, "Placenta_Crossing_Structural_Similarity": 0.0188443, "Placenta_Crossing_Weighted_Contribution": -0.509434, "Placenta_Crossing_Top_Rank": -0.0819251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54617432": { "type": "Drug", "properties": { "id": "CID:54617432", "label": "SA-424380", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54617432", "FDA_Category_D_L1000_Similarity": -0.72298, "FDA_Category_X_L1000_Similarity": -0.483875, "FDA_Category_D_and_X_L1000_Similarity": -0.770166, "Placenta_Crossing_L1000_Similarity": -0.869217, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54654560": { "type": "Drug", "properties": { "id": "CID:54654560", "label": "SA-1473468", "lsm": "LSM-8848", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654560", "FDA_Category_D_L1000_Similarity": 1.54875, "FDA_Category_X_L1000_Similarity": 0.488839, "FDA_Category_D_and_X_L1000_Similarity": 1.4835, "Placenta_Crossing_L1000_Similarity": 1.98826, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657705": { "type": "Drug", "properties": { "id": "CID:54657705", "label": "SA-1459172", "lsm": "LSM-14286", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657705", "FDA_Category_D_L1000_Similarity": 0.533943, "FDA_Category_X_L1000_Similarity": 0.892203, "FDA_Category_D_and_X_L1000_Similarity": 0.731217, "Placenta_Crossing_L1000_Similarity": 0.883074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657739": { "type": "Drug", "properties": { "id": "CID:54657739", "label": "SA-1458189", "lsm": "LSM-12722", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657739", "FDA_Category_D_L1000_Similarity": 0.265039, "FDA_Category_X_L1000_Similarity": -0.374697, "FDA_Category_D_and_X_L1000_Similarity": 0.114678, "Placenta_Crossing_L1000_Similarity": -0.211597, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658832": { "type": "Drug", "properties": { "id": "CID:54658832", "label": "SA-1459256", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658832", "FDA_Category_D_L1000_Similarity": 0.471219, "FDA_Category_X_L1000_Similarity": -0.68101, "FDA_Category_D_and_X_L1000_Similarity": 0.199388, "Placenta_Crossing_L1000_Similarity": 0.263899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659344": { "type": "Drug", "properties": { "id": "CID:54659344", "label": "SA-1457415", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659344", "FDA_Category_D_L1000_Similarity": 0.194675, "FDA_Category_D_Structural_Similarity": -0.14886, "FDA_Category_D_Weighted_Contribution": -0.145138, "FDA_Category_D_Top_Rank": -0.08852, "FDA_Category_X_L1000_Similarity": 0.472301, "FDA_Category_X_Structural_Similarity": -0.188308, "FDA_Category_X_Weighted_Contribution": -0.0763304, "FDA_Category_X_Top_Rank": -0.0828407, "FDA_Category_D_and_X_L1000_Similarity": 0.311249, "FDA_Category_D_and_X_Structural_Similarity": -0.219763, "FDA_Category_D_and_X_Weighted_Contribution": -0.173399, "FDA_Category_D_and_X_Top_Rank": -0.0887847, "Placenta_Crossing_L1000_Similarity": 0.591517, "Placenta_Crossing_Structural_Similarity": 0.639678, "Placenta_Crossing_Weighted_Contribution": 0.799796, "Placenta_Crossing_Top_Rank": -0.0651473, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659352": { "type": "Drug", "properties": { "id": "CID:54659352", "label": "SA-1455884", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659352", "FDA_Category_D_L1000_Similarity": 0.359703, "FDA_Category_D_Structural_Similarity": -0.539935, "FDA_Category_D_Weighted_Contribution": -0.400637, "FDA_Category_D_Top_Rank": -0.0878471, "FDA_Category_X_L1000_Similarity": 1.56335, "FDA_Category_X_Structural_Similarity": -0.114858, "FDA_Category_X_Weighted_Contribution": 0.561974, "FDA_Category_X_Top_Rank": -0.0427198, "FDA_Category_D_and_X_L1000_Similarity": 0.784832, "FDA_Category_D_and_X_Structural_Similarity": -0.49053, "FDA_Category_D_and_X_Weighted_Contribution": -0.178054, "FDA_Category_D_and_X_Top_Rank": -0.0783257, "Placenta_Crossing_L1000_Similarity": 0.679104, "Placenta_Crossing_Structural_Similarity": -0.256736, "Placenta_Crossing_Weighted_Contribution": -0.0547063, "Placenta_Crossing_Top_Rank": -0.0793899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659373": { "type": "Drug", "properties": { "id": "CID:54659373", "label": "SA-1456305", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659373", "FDA_Category_D_L1000_Similarity": 0.691307, "FDA_Category_D_Structural_Similarity": -0.0770511, "FDA_Category_D_Weighted_Contribution": 0.198896, "FDA_Category_D_Top_Rank": -0.0799114, "FDA_Category_X_L1000_Similarity": 0.934257, "FDA_Category_X_Structural_Similarity": -0.00775416, "FDA_Category_X_Weighted_Contribution": 0.339196, "FDA_Category_X_Top_Rank": -0.0734843, "FDA_Category_D_and_X_L1000_Similarity": 0.879633, "FDA_Category_D_and_X_Structural_Similarity": -0.0653406, "FDA_Category_D_and_X_Weighted_Contribution": 0.268687, "FDA_Category_D_and_X_Top_Rank": -0.0749244, "Placenta_Crossing_L1000_Similarity": 0.823563, "Placenta_Crossing_Structural_Similarity": 0.671879, "Placenta_Crossing_Weighted_Contribution": 0.960286, "Placenta_Crossing_Top_Rank": -0.0639465, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659817": { "type": "Drug", "properties": { "id": "CID:54659817", "label": "SA-1460032", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659817", "FDA_Category_D_L1000_Similarity": -0.363079, "FDA_Category_D_Structural_Similarity": -0.253627, "FDA_Category_D_Weighted_Contribution": -0.511551, "FDA_Category_D_Top_Rank": -0.0905552, "FDA_Category_X_L1000_Similarity": -0.657673, "FDA_Category_X_Structural_Similarity": -0.117913, "FDA_Category_X_Weighted_Contribution": -0.518903, "FDA_Category_X_Top_Rank": -0.082743, "FDA_Category_D_and_X_L1000_Similarity": -0.512702, "FDA_Category_D_and_X_Structural_Similarity": -0.264933, "FDA_Category_D_and_X_Weighted_Contribution": -0.586418, "FDA_Category_D_and_X_Top_Rank": -0.091214, "Placenta_Crossing_L1000_Similarity": 0.372752, "Placenta_Crossing_Structural_Similarity": 0.206545, "Placenta_Crossing_Weighted_Contribution": 0.239087, "Placenta_Crossing_Top_Rank": -0.077516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659868": { "type": "Drug", "properties": { "id": "CID:54659868", "label": "SA-1459031", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659868", "FDA_Category_D_L1000_Similarity": 0.265057, "FDA_Category_D_Structural_Similarity": -0.579422, "FDA_Category_D_Weighted_Contribution": -0.478056, "FDA_Category_D_Top_Rank": -0.0893477, "FDA_Category_X_L1000_Similarity": 0.211863, "FDA_Category_X_Structural_Similarity": -0.274759, "FDA_Category_X_Weighted_Contribution": -0.278416, "FDA_Category_X_Top_Rank": -0.0858106, "FDA_Category_D_and_X_L1000_Similarity": 0.292821, "FDA_Category_D_and_X_Structural_Similarity": -0.608154, "FDA_Category_D_and_X_Weighted_Contribution": -0.50393, "FDA_Category_D_and_X_Top_Rank": -0.0890488, "Placenta_Crossing_L1000_Similarity": -0.363569, "Placenta_Crossing_Structural_Similarity": -0.369157, "Placenta_Crossing_Weighted_Contribution": -0.592328, "Placenta_Crossing_Top_Rank": -0.0883522, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54659991": { "type": "Drug", "properties": { "id": "CID:54659991", "label": "SA-1456576", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54659991", "FDA_Category_D_L1000_Similarity": 0.0212052, "FDA_Category_X_L1000_Similarity": 1.18939, "FDA_Category_D_and_X_L1000_Similarity": 0.379475, "Placenta_Crossing_L1000_Similarity": 0.357774, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666790": { "type": "Drug", "properties": { "id": "CID:54666790", "label": "SA-1919918", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666790", "FDA_Category_D_L1000_Similarity": -0.960319, "FDA_Category_X_L1000_Similarity": 1.26885, "FDA_Category_D_and_X_L1000_Similarity": -0.442489, "Placenta_Crossing_L1000_Similarity": 0.133032, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669111": { "type": "Drug", "properties": { "id": "CID:54669111", "label": "SA-1921614", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669111", "FDA_Category_D_L1000_Similarity": -1.3462, "FDA_Category_X_L1000_Similarity": 0.551116, "FDA_Category_D_and_X_L1000_Similarity": -0.993086, "Placenta_Crossing_L1000_Similarity": -0.585462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54671008": { "type": "Drug", "properties": { "id": "CID:54671008", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54671008", "label": "raltegravir", "FDA_Category_D_L1000_Similarity": 1.23236, "FDA_Category_D_Structural_Similarity": -0.551228, "FDA_Category_D_Weighted_Contribution": 0.045927, "FDA_Category_D_Top_Rank": -0.0453031, "FDA_Category_X_L1000_Similarity": 0.793318, "FDA_Category_X_Structural_Similarity": -0.172627, "FDA_Category_X_Weighted_Contribution": 0.0968794, "FDA_Category_X_Top_Rank": -0.0770619, "FDA_Category_D_and_X_L1000_Similarity": 1.30324, "FDA_Category_D_and_X_Structural_Similarity": -0.530666, "FDA_Category_D_and_X_Weighted_Contribution": 0.0495815, "FDA_Category_D_and_X_Top_Rank": -0.04664, "Placenta_Crossing_L1000_Similarity": 1.93912, "Placenta_Crossing_Structural_Similarity": -0.664947, "Placenta_Crossing_Weighted_Contribution": 0.163845, "Placenta_Crossing_Top_Rank": 0.0284836, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F", "InChI_key": "CZFFBEXEKNGXKS-UHFFFAOYSA-N" } }, "CID:54766": { "type": "Drug", "properties": { "id": "CID:54766", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54766", "label": "bambuterol", "FDA_Category_D_L1000_Similarity": 1.62941, "FDA_Category_D_Structural_Similarity": -0.103903, "FDA_Category_D_Weighted_Contribution": 0.739362, "FDA_Category_D_Top_Rank": 0.0214316, "FDA_Category_X_L1000_Similarity": 2.56293, "FDA_Category_X_Structural_Similarity": 0.709045, "FDA_Category_X_Weighted_Contribution": 2.04952, "FDA_Category_X_Top_Rank": 0.193393, "FDA_Category_D_and_X_L1000_Similarity": 2.1829, "FDA_Category_D_and_X_Structural_Similarity": 0.300129, "FDA_Category_D_and_X_Weighted_Contribution": 1.41633, "FDA_Category_D_and_X_Top_Rank": 0.202374, "Placenta_Crossing_L1000_Similarity": 1.02622, "Placenta_Crossing_Structural_Similarity": 1.79058, "Placenta_Crossing_Weighted_Contribution": 2.24308, "Placenta_Crossing_Top_Rank": 0.0106231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O", "InChI_key": "ANZXOIAKUNOVQU-UHFFFAOYSA-N" } }, "CID:5702063": { "type": "Drug", "properties": { "id": "CID:5702063", "label": "guanabenz", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702063", "FDA_Category_D_L1000_Similarity": 1.0805, "FDA_Category_D_Structural_Similarity": -0.166711, "FDA_Category_D_Weighted_Contribution": 0.337486, "FDA_Category_D_Top_Rank": -0.0601176, "FDA_Category_X_L1000_Similarity": 1.08286, "FDA_Category_X_Structural_Similarity": -0.735798, "FDA_Category_X_Weighted_Contribution": -0.30108, "FDA_Category_X_Top_Rank": -0.0686841, "FDA_Category_D_and_X_L1000_Similarity": 1.26024, "FDA_Category_D_and_X_Structural_Similarity": -0.529355, "FDA_Category_D_and_X_Weighted_Contribution": 0.0282692, "FDA_Category_D_and_X_Top_Rank": -0.0506062, "Placenta_Crossing_L1000_Similarity": 1.78913, "Placenta_Crossing_Structural_Similarity": -0.986261, "Placenta_Crossing_Weighted_Contribution": -0.204428, "Placenta_Crossing_Top_Rank": -0.00197776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl", "InChI_key": "WDZVGELJXXEGPV-YIXHJXPBSA-N" } }, "CID:5702135": { "type": "Drug", "properties": { "id": "CID:5702135", "label": "strychnine", "lsm": "LSM-1293", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702135", "IDG_ID": "2484", "FDA_Category_D_L1000_Similarity": 0.564182, "FDA_Category_D_Structural_Similarity": 0.384065, "FDA_Category_D_Weighted_Contribution": 0.594931, "FDA_Category_D_Top_Rank": -0.0748162, "FDA_Category_X_L1000_Similarity": 2.33405, "FDA_Category_X_Structural_Similarity": 2.32057, "FDA_Category_X_Weighted_Contribution": 3.4148, "FDA_Category_X_Top_Rank": 0.0869939, "FDA_Category_D_and_X_L1000_Similarity": 1.19514, "FDA_Category_D_and_X_Structural_Similarity": 1.55701, "FDA_Category_D_and_X_Weighted_Contribution": 2.14092, "FDA_Category_D_and_X_Top_Rank": -0.00952786, "Placenta_Crossing_L1000_Similarity": 0.755534, "Placenta_Crossing_Structural_Similarity": 0.620084, "Placenta_Crossing_Weighted_Contribution": 0.867698, "Placenta_Crossing_Top_Rank": -0.0659797, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75", "InChI_key": "QMGVPVSNSZLJIA-OFYMUHMXSA-N" } }, "CID:5723": { "type": "Drug", "properties": { "id": "CID:5723", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5723", "label": "zardaverine", "FDA_Category_D_L1000_Similarity": -0.734736, "FDA_Category_D_Structural_Similarity": 0.371985, "FDA_Category_D_Weighted_Contribution": -0.166268, "FDA_Category_D_Top_Rank": -0.0751201, "FDA_Category_X_L1000_Similarity": -1.48848, "FDA_Category_X_Structural_Similarity": -0.448963, "FDA_Category_X_Weighted_Contribution": -1.05383, "FDA_Category_X_Top_Rank": -0.0890319, "FDA_Category_D_and_X_L1000_Similarity": -1.08537, "FDA_Category_D_and_X_Structural_Similarity": 0.052991, "FDA_Category_D_and_X_Weighted_Contribution": -0.588729, "FDA_Category_D_and_X_Top_Rank": -0.0852555, "Placenta_Crossing_L1000_Similarity": 0.0312728, "Placenta_Crossing_Structural_Similarity": -1.07507, "Placenta_Crossing_Weighted_Contribution": -0.937506, "Placenta_Crossing_Top_Rank": -0.0881152, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)C2=NNC(=O)C=C2)OC(F)F", "InChI_key": "HJMQDJPMQIHLPB-UHFFFAOYSA-N" } }, "CID:5734": { "type": "Drug", "properties": { "id": "CID:5734", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5734", "label": "zonisamide", "FDA_Category_D_L1000_Similarity": 2.43102, "FDA_Category_D_Structural_Similarity": 2.29471, "FDA_Category_D_Weighted_Contribution": 3.42178, "FDA_Category_D_Top_Rank": 0.741334, "FDA_Category_X_L1000_Similarity": 1.05592, "FDA_Category_X_Structural_Similarity": -0.437823, "FDA_Category_X_Weighted_Contribution": -0.0352496, "FDA_Category_X_Top_Rank": -0.0696182, "FDA_Category_D_and_X_L1000_Similarity": 2.41624, "FDA_Category_D_and_X_Structural_Similarity": 1.58509, "FDA_Category_D_and_X_Weighted_Contribution": 2.78126, "FDA_Category_D_and_X_Top_Rank": 0.391943, "Placenta_Crossing_L1000_Similarity": 1.00494, "Placenta_Crossing_Structural_Similarity": -0.626867, "Placenta_Crossing_Weighted_Contribution": -0.238026, "Placenta_Crossing_Top_Rank": -0.0701827, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N", "InChI_key": "UBQNRHZMVUUOMG-UHFFFAOYSA-N" } }, "CID:57390074": { "type": "Drug", "properties": { "id": "CID:57390074", "label": "AP-26113", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57390074", "FDA_Category_D_L1000_Similarity": -2.72822, "FDA_Category_D_Structural_Similarity": -0.149054, "FDA_Category_D_Weighted_Contribution": -1.30062, "FDA_Category_D_Top_Rank": -0.0885237, "FDA_Category_X_L1000_Similarity": -1.109, "FDA_Category_X_Structural_Similarity": -0.386309, "FDA_Category_X_Weighted_Contribution": -0.89092, "FDA_Category_X_Top_Rank": -0.0879903, "FDA_Category_D_and_X_L1000_Similarity": -2.68855, "FDA_Category_D_and_X_Structural_Similarity": -0.326757, "FDA_Category_D_and_X_Weighted_Contribution": -1.3259, "FDA_Category_D_and_X_Top_Rank": -0.0920833, "Placenta_Crossing_L1000_Similarity": -2.11342, "Placenta_Crossing_Structural_Similarity": -0.370444, "Placenta_Crossing_Weighted_Contribution": -1.15353, "Placenta_Crossing_Top_Rank": -0.0883779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60186973": { "type": "Drug", "properties": { "id": "CID:60186973", "label": "SA-1938111", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186973", "FDA_Category_D_L1000_Similarity": -0.492887, "FDA_Category_D_Structural_Similarity": -0.346361, "FDA_Category_D_Weighted_Contribution": -0.641082, "FDA_Category_D_Top_Rank": -0.0921561, "FDA_Category_X_L1000_Similarity": 0.553177, "FDA_Category_X_Structural_Similarity": -0.562859, "FDA_Category_X_Weighted_Contribution": -0.382458, "FDA_Category_X_Top_Rank": -0.08177, "FDA_Category_D_and_X_L1000_Similarity": -0.256883, "FDA_Category_D_and_X_Structural_Similarity": -0.578628, "FDA_Category_D_and_X_Weighted_Contribution": -0.709608, "FDA_Category_D_and_X_Top_Rank": -0.0939722, "Placenta_Crossing_L1000_Similarity": -0.424477, "Placenta_Crossing_Structural_Similarity": -0.822733, "Placenta_Crossing_Weighted_Contribution": -0.924476, "Placenta_Crossing_Top_Rank": -0.0905406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60190539": { "type": "Drug", "properties": { "id": "CID:60190539", "label": "SA-1939945", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60190539", "FDA_Category_D_L1000_Similarity": -0.0552595, "FDA_Category_X_L1000_Similarity": 0.683432, "FDA_Category_D_and_X_L1000_Similarity": 0.159909, "Placenta_Crossing_L1000_Similarity": 0.0943523, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60192484": { "type": "Drug", "properties": { "id": "CID:60192484", "label": "SA-1925621", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60192484", "FDA_Category_D_L1000_Similarity": 0.299851, "FDA_Category_D_Structural_Similarity": -0.319094, "FDA_Category_D_Weighted_Contribution": -0.242053, "FDA_Category_D_Top_Rank": -0.0888578, "FDA_Category_X_L1000_Similarity": 2.16442, "FDA_Category_X_Structural_Similarity": -0.524021, "FDA_Category_X_Weighted_Contribution": 0.444779, "FDA_Category_X_Top_Rank": 0.0435319, "FDA_Category_D_and_X_L1000_Similarity": 0.915769, "FDA_Category_D_and_X_Structural_Similarity": -0.536029, "FDA_Category_D_and_X_Weighted_Contribution": -0.153437, "FDA_Category_D_and_X_Top_Rank": -0.0733695, "Placenta_Crossing_L1000_Similarity": 1.82119, "Placenta_Crossing_Structural_Similarity": -0.683171, "Placenta_Crossing_Weighted_Contribution": 0.0886887, "Placenta_Crossing_Top_Rank": 0.00422649, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:62959": { "type": "Drug", "properties": { "id": "CID:62959", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID62959", "label": "trovafloxacin", "FDA_Category_D_L1000_Similarity": -0.967148, "FDA_Category_D_Structural_Similarity": -0.391186, "FDA_Category_D_Weighted_Contribution": -0.866532, "FDA_Category_D_Top_Rank": -0.0927962, "FDA_Category_X_L1000_Similarity": 0.0686554, "FDA_Category_X_Structural_Similarity": -0.462376, "FDA_Category_X_Weighted_Contribution": -0.503188, "FDA_Category_X_Top_Rank": -0.0870782, "FDA_Category_D_and_X_L1000_Similarity": -0.812845, "FDA_Category_D_and_X_Structural_Similarity": -0.559986, "FDA_Category_D_and_X_Weighted_Contribution": -0.903048, "FDA_Category_D_and_X_Top_Rank": -0.0944821, "Placenta_Crossing_L1000_Similarity": 0.448934, "Placenta_Crossing_Structural_Similarity": -0.246606, "Placenta_Crossing_Weighted_Contribution": -0.151437, "Placenta_Crossing_Top_Rank": -0.0837936, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "N[C@H]1[C@@H]2CN(C[C@H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F", "InChI_key": "WVPSKSLAZQPAKQ-CDMJZVDBSA-N" } }, "CID:6337614": { "type": "Drug", "properties": { "id": "CID:6337614", "label": "palonosetron", "lsm": "LSM-5266", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6337614", "IDG_ID": "2046", "FDA_Category_D_L1000_Similarity": 0.91142, "FDA_Category_D_Structural_Similarity": -0.44649, "FDA_Category_D_Weighted_Contribution": -0.0327205, "FDA_Category_D_Top_Rank": -0.0709073, "FDA_Category_X_L1000_Similarity": 1.34149, "FDA_Category_X_Structural_Similarity": -0.339458, "FDA_Category_X_Weighted_Contribution": 0.206039, "FDA_Category_X_Top_Rank": -0.0565934, "FDA_Category_D_and_X_L1000_Similarity": 1.19304, "FDA_Category_D_and_X_Structural_Similarity": -0.537556, "FDA_Category_D_and_X_Weighted_Contribution": -0.0142737, "FDA_Category_D_and_X_Top_Rank": -0.0552343, "Placenta_Crossing_L1000_Similarity": 1.33445, "Placenta_Crossing_Structural_Similarity": -0.828262, "Placenta_Crossing_Weighted_Contribution": -0.267636, "Placenta_Crossing_Top_Rank": -0.0534274, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5", "InChI_key": "CPZBLNMUGSZIPR-NVXWUHKLSA-N" } }, "CID:636403": { "type": "Drug", "properties": { "id": "CID:636403", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID636403", "label": "carbenoxolone", "FDA_Category_D_L1000_Similarity": 1.54103, "FDA_Category_D_Structural_Similarity": -0.608345, "FDA_Category_D_Weighted_Contribution": 0.16568, "FDA_Category_D_Top_Rank": 0.000334429, "FDA_Category_X_L1000_Similarity": 1.53347, "FDA_Category_X_Structural_Similarity": 1.62626, "FDA_Category_X_Weighted_Contribution": 2.47124, "FDA_Category_X_Top_Rank": 0.000748921, "FDA_Category_D_and_X_L1000_Similarity": 1.79408, "FDA_Category_D_and_X_Structural_Similarity": 0.394672, "FDA_Category_D_and_X_Weighted_Contribution": 1.28445, "FDA_Category_D_and_X_Top_Rank": 0.0314261, "Placenta_Crossing_L1000_Similarity": 2.13711, "Placenta_Crossing_Structural_Similarity": -0.369217, "Placenta_Crossing_Weighted_Contribution": 0.563058, "Placenta_Crossing_Top_Rank": 0.0864785, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C", "InChI_key": "OBZHEBDUNPOCJG-WBXJDKIVSA-N" } }, "CID:637566": { "type": "Drug", "properties": { "id": "CID:637566", "label": "geraniol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/637566", "FDA_Category_D_L1000_Similarity": 0.447092, "FDA_Category_D_Structural_Similarity": -0.924148, "FDA_Category_D_Weighted_Contribution": -0.661327, "FDA_Category_D_Top_Rank": -0.0863165, "FDA_Category_X_L1000_Similarity": 2.17288, "FDA_Category_X_Structural_Similarity": -0.60039, "FDA_Category_X_Weighted_Contribution": 0.367905, "FDA_Category_X_Top_Rank": 0.0454035, "FDA_Category_D_and_X_L1000_Similarity": 1.04527, "FDA_Category_D_and_X_Structural_Similarity": -1.05748, "FDA_Category_D_and_X_Weighted_Contribution": -0.525192, "FDA_Category_D_and_X_Top_Rank": -0.0662128, "Placenta_Crossing_L1000_Similarity": 0.728156, "Placenta_Crossing_Structural_Similarity": -0.86804, "Placenta_Crossing_Weighted_Contribution": -0.550564, "Placenta_Crossing_Top_Rank": -0.0782042, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCCC(=CCO)C)C", "InChI_key": "GLZPCOQZEFWAFX-JXMROGBWSA-N" } }, "CID:6433118": { "type": "Drug", "properties": { "id": "CID:6433118", "label": "lirimilast", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6433118", "FDA_Category_D_L1000_Similarity": -0.568931, "FDA_Category_D_Structural_Similarity": 1.61941, "FDA_Category_D_Weighted_Contribution": 1.21322, "FDA_Category_D_Top_Rank": -0.0030904, "FDA_Category_X_L1000_Similarity": 1.75201, "FDA_Category_X_Structural_Similarity": -0.570017, "FDA_Category_X_Weighted_Contribution": 0.180285, "FDA_Category_X_Top_Rank": -0.0251227, "FDA_Category_D_and_X_L1000_Similarity": 0.0416161, "FDA_Category_D_and_X_Structural_Similarity": 0.97777, "FDA_Category_D_and_X_Weighted_Contribution": 0.857866, "FDA_Category_D_and_X_Top_Rank": -0.0544658, "Placenta_Crossing_L1000_Similarity": 1.29006, "Placenta_Crossing_Structural_Similarity": 0.233908, "Placenta_Crossing_Weighted_Contribution": 0.745194, "Placenta_Crossing_Top_Rank": -0.0563185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6445540": { "type": "Drug", "properties": { "id": "CID:6445540", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6445540", "label": "ixabepilone", "FDA_Category_D_L1000_Similarity": 0.147333, "FDA_Category_D_Structural_Similarity": 0.475236, "FDA_Category_D_Weighted_Contribution": 0.435281, "FDA_Category_D_Top_Rank": -0.0719231, "FDA_Category_X_L1000_Similarity": -1.42588, "FDA_Category_X_Structural_Similarity": 0.773776, "FDA_Category_X_Weighted_Contribution": -0.0645676, "FDA_Category_X_Top_Rank": -0.0508378, "FDA_Category_D_and_X_L1000_Similarity": -0.306009, "FDA_Category_D_and_X_Structural_Similarity": 0.794728, "FDA_Category_D_and_X_Weighted_Contribution": 0.464378, "FDA_Category_D_and_X_Top_Rank": -0.0634442, "Placenta_Crossing_L1000_Similarity": -0.133195, "Placenta_Crossing_Structural_Similarity": 1.39714, "Placenta_Crossing_Weighted_Contribution": 1.21925, "Placenta_Crossing_Top_Rank": -0.027079, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C", "InChI_key": "FABUFPQFXZVHFB-PVYNADRNSA-N" } }, "CID:64981": { "type": "Drug", "properties": { "id": "CID:64981", "label": "arctigenin", "lsm": "LSM-3183", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/64981", "FDA_Category_D_L1000_Similarity": -0.456505, "FDA_Category_D_Structural_Similarity": -0.859265, "FDA_Category_D_Weighted_Contribution": -0.973202, "FDA_Category_D_Top_Rank": -0.0949771, "FDA_Category_X_L1000_Similarity": -0.963936, "FDA_Category_X_Structural_Similarity": -0.722387, "FDA_Category_X_Weighted_Contribution": -1.06048, "FDA_Category_X_Top_Rank": -0.0911999, "FDA_Category_D_and_X_L1000_Similarity": -0.686251, "FDA_Category_D_and_X_Structural_Similarity": -1.07181, "FDA_Category_D_and_X_Weighted_Contribution": -1.15128, "FDA_Category_D_and_X_Top_Rank": -0.0956361, "Placenta_Crossing_L1000_Similarity": -0.83071, "Placenta_Crossing_Structural_Similarity": -1.01684, "Placenta_Crossing_Weighted_Contribution": -1.1513, "Placenta_Crossing_Top_Rank": -0.0915567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC", "InChI_key": "NQWVSMVXKMHKTF-JKSUJKDBSA-N" } }, "CID:6572379": { "type": "Drug", "properties": { "id": "CID:6572379", "label": "psh-013", "lsm": "LSM-3213", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6572379", "FDA_Category_D_L1000_Similarity": -0.215913, "FDA_Category_D_Structural_Similarity": -0.462943, "FDA_Category_D_Weighted_Contribution": -0.606856, "FDA_Category_D_Top_Rank": -0.0936916, "FDA_Category_X_L1000_Similarity": -0.0404683, "FDA_Category_X_Structural_Similarity": -0.664244, "FDA_Category_X_Weighted_Contribution": -0.706532, "FDA_Category_X_Top_Rank": -0.0878527, "FDA_Category_D_and_X_L1000_Similarity": -0.198408, "FDA_Category_D_and_X_Structural_Similarity": -0.725868, "FDA_Category_D_and_X_Weighted_Contribution": -0.78795, "FDA_Category_D_and_X_Top_Rank": -0.0936271, "Placenta_Crossing_L1000_Similarity": -0.478337, "Placenta_Crossing_Structural_Similarity": -1.07541, "Placenta_Crossing_Weighted_Contribution": -1.08752, "Placenta_Crossing_Top_Rank": -0.0907028, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2)C", "InChI_key": "ZTKRHVRDOBGROC-LJQANCHMSA-N" } }, "CID:6604918": { "type": "Drug", "properties": { "id": "CID:6604918", "label": "ym-976", "lsm": "LSM-2271", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604918", "FDA_Category_D_L1000_Similarity": -0.100643, "FDA_Category_D_Structural_Similarity": -0.100237, "FDA_Category_D_Weighted_Contribution": -0.255776, "FDA_Category_D_Top_Rank": -0.0875443, "FDA_Category_X_L1000_Similarity": 2.59227, "FDA_Category_X_Structural_Similarity": -0.178704, "FDA_Category_X_Weighted_Contribution": 1.06588, "FDA_Category_X_Top_Rank": 0.208207, "FDA_Category_D_and_X_L1000_Similarity": 0.70047, "FDA_Category_D_and_X_Structural_Similarity": -0.175987, "FDA_Category_D_and_X_Weighted_Contribution": 0.0653544, "FDA_Category_D_and_X_Top_Rank": -0.0811944, "Placenta_Crossing_L1000_Similarity": 0.501663, "Placenta_Crossing_Structural_Similarity": -0.191971, "Placenta_Crossing_Weighted_Contribution": -0.0778606, "Placenta_Crossing_Top_Rank": -0.0829344, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3=CC(=CC=C3)Cl", "InChI_key": "MNHXYNNKDDXKNP-UHFFFAOYSA-N" } }, "CID:6610267": { "type": "Drug", "properties": { "id": "CID:6610267", "label": "ei-231", "lsm": "LSM-5138", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610267", "FDA_Category_D_L1000_Similarity": 0.717757, "FDA_Category_D_Structural_Similarity": 1.51772, "FDA_Category_D_Weighted_Contribution": 1.91649, "FDA_Category_D_Top_Rank": -0.0154619, "FDA_Category_X_L1000_Similarity": 0.21819, "FDA_Category_X_Structural_Similarity": -0.394267, "FDA_Category_X_Weighted_Contribution": -0.381619, "FDA_Category_X_Top_Rank": -0.0857503, "FDA_Category_D_and_X_L1000_Similarity": 0.684975, "FDA_Category_D_and_X_Structural_Similarity": 0.991893, "FDA_Category_D_and_X_Weighted_Contribution": 1.25821, "FDA_Category_D_and_X_Top_Rank": -0.0535445, "Placenta_Crossing_L1000_Similarity": 0.697323, "Placenta_Crossing_Structural_Similarity": 0.884438, "Placenta_Crossing_Weighted_Contribution": 1.12046, "Placenta_Crossing_Top_Rank": -0.0560561, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O", "InChI_key": "XHSQDZXAVJRBMX-AYLPWXGPSA-N" } }, "CID:6610313": { "type": "Drug", "properties": { "id": "CID:6610313", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6610313", "label": "ryanodine", "FDA_Category_D_L1000_Similarity": -0.153374, "FDA_Category_D_Structural_Similarity": -0.579011, "FDA_Category_D_Weighted_Contribution": -0.666098, "FDA_Category_D_Top_Rank": -0.0933971, "FDA_Category_X_L1000_Similarity": 2.28393, "FDA_Category_X_Structural_Similarity": 1.83603, "FDA_Category_X_Weighted_Contribution": 3.01734, "FDA_Category_X_Top_Rank": 0.073532, "FDA_Category_D_and_X_L1000_Similarity": 0.561371, "FDA_Category_D_and_X_Structural_Similarity": 0.531144, "FDA_Category_D_and_X_Weighted_Contribution": 0.694276, "FDA_Category_D_and_X_Top_Rank": -0.0729496, "Placenta_Crossing_L1000_Similarity": 0.638022, "Placenta_Crossing_Structural_Similarity": -0.247048, "Placenta_Crossing_Weighted_Contribution": -0.0649521, "Placenta_Crossing_Top_Rank": -0.0801982, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O", "InChI_key": "JJSYXNQGLHBRRK-RGPFZKLOSA-N" } }, "CID:66265": { "type": "Drug", "properties": { "id": "CID:66265", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID66265", "label": "dexfenfluramine", "FDA_Category_D_L1000_Similarity": 0.630064, "FDA_Category_D_Structural_Similarity": -0.543911, "FDA_Category_D_Weighted_Contribution": -0.269539, "FDA_Category_D_Top_Rank": -0.0817607, "FDA_Category_X_L1000_Similarity": 1.44859, "FDA_Category_X_Structural_Similarity": 1.56513, "FDA_Category_X_Weighted_Contribution": 2.36571, "FDA_Category_X_Top_Rank": -0.00484804, "FDA_Category_D_and_X_L1000_Similarity": 0.983031, "FDA_Category_D_and_X_Structural_Similarity": 0.41283, "FDA_Category_D_and_X_Weighted_Contribution": 0.818467, "FDA_Category_D_and_X_Top_Rank": -0.0701574, "Placenta_Crossing_L1000_Similarity": 0.277184, "Placenta_Crossing_Structural_Similarity": 0.119637, "Placenta_Crossing_Weighted_Contribution": 0.107365, "Placenta_Crossing_Top_Rank": -0.0795638, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(C)CC1=CC(=CC=C1)C(F)(F)F", "InChI_key": "DBGIVFWFUFKIQN-VIFPVBQESA-N" } }, "CID:6708716": { "type": "Drug", "properties": { "id": "CID:6708716", "label": "catechin", "lsm": "LSM-1682", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6708716", "FDA_Category_D_L1000_Similarity": 2.04745, "FDA_Category_X_L1000_Similarity": -0.441581, "FDA_Category_D_and_X_L1000_Similarity": 1.63084, "Placenta_Crossing_L1000_Similarity": 1.0143, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC2=C1C(=CC(=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8", "InChI_key": "RFKGHGMSJVVYTB-YWPUXERESA-N" } }, "CID:6708742": { "type": "Drug", "properties": { "id": "CID:6708742", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6708742", "label": "Inosine", "FDA_Category_D_L1000_Similarity": 2.35171, "FDA_Category_D_Structural_Similarity": 1.59415, "FDA_Category_D_Weighted_Contribution": 2.89005, "FDA_Category_D_Top_Rank": 0.542078, "FDA_Category_X_L1000_Similarity": 1.12165, "FDA_Category_X_Structural_Similarity": -0.585957, "FDA_Category_X_Weighted_Contribution": -0.145496, "FDA_Category_X_Top_Rank": -0.0672924, "FDA_Category_D_and_X_L1000_Similarity": 2.36784, "FDA_Category_D_and_X_Structural_Similarity": 0.949114, "FDA_Category_D_and_X_Weighted_Contribution": 2.18908, "FDA_Category_D_and_X_Top_Rank": 0.335265, "Placenta_Crossing_L1000_Similarity": 1.29425, "Placenta_Crossing_Structural_Similarity": 0.864219, "Placenta_Crossing_Weighted_Contribution": 1.4257, "Placenta_Crossing_Top_Rank": -0.0560891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6710622": { "type": "Drug", "properties": { "id": "CID:6710622", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6710622", "label": "bicuculline", "FDA_Category_D_L1000_Similarity": 0.159934, "FDA_Category_X_L1000_Similarity": 0.367752, "FDA_Category_D_and_X_L1000_Similarity": 0.24955, "Placenta_Crossing_L1000_Similarity": 1.32748, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3", "InChI_key": "IYGYMKDQCDOMRE-ZENAZSQFSA-N" } }, "CID:6780": { "type": "Drug", "properties": { "id": "CID:6780", "label": "anthraquinone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6780", "FDA_Category_D_L1000_Similarity": -0.439828, "FDA_Category_D_Structural_Similarity": 1.22108, "FDA_Category_D_Weighted_Contribution": 0.861321, "FDA_Category_D_Top_Rank": -0.0392566, "FDA_Category_X_L1000_Similarity": 0.204565, "FDA_Category_X_Structural_Similarity": 1.26603, "FDA_Category_X_Weighted_Contribution": 1.35083, "FDA_Category_X_Top_Rank": -0.0236239, "FDA_Category_D_and_X_L1000_Similarity": -0.317017, "FDA_Category_D_and_X_Structural_Similarity": 1.65234, "FDA_Category_D_and_X_Weighted_Contribution": 1.36387, "FDA_Category_D_and_X_Top_Rank": -0.000510323, "Placenta_Crossing_L1000_Similarity": 0.383092, "Placenta_Crossing_Structural_Similarity": 0.0199966, "Placenta_Crossing_Weighted_Contribution": 0.063571, "Placenta_Crossing_Top_Rank": -0.0819077, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:68210102": { "type": "Drug", "properties": { "id": "CID:68210102", "label": "GSK-2816126", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68210102", "FDA_Category_D_L1000_Similarity": 0.690591, "FDA_Category_X_L1000_Similarity": 0.287275, "FDA_Category_D_and_X_L1000_Similarity": 0.682533, "Placenta_Crossing_L1000_Similarity": 0.980705, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6839": { "type": "Drug", "properties": { "id": "CID:6839", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6839", "label": "phensuximide", "FDA_Category_D_L1000_Similarity": 1.48104, "FDA_Category_D_Structural_Similarity": -0.766899, "FDA_Category_D_Weighted_Contribution": -0.0203934, "FDA_Category_D_Top_Rank": -0.0131259, "FDA_Category_X_L1000_Similarity": 0.725177, "FDA_Category_X_Structural_Similarity": 1.48095, "FDA_Category_X_Weighted_Contribution": 1.88748, "FDA_Category_X_Top_Rank": -0.00998741, "FDA_Category_D_and_X_L1000_Similarity": 1.49691, "FDA_Category_D_and_X_Structural_Similarity": 0.190417, "FDA_Category_D_and_X_Weighted_Contribution": 0.888038, "FDA_Category_D_and_X_Top_Rank": -0.0239544, "Placenta_Crossing_L1000_Similarity": 1.05655, "Placenta_Crossing_Structural_Similarity": -0.634377, "Placenta_Crossing_Weighted_Contribution": -0.22175, "Placenta_Crossing_Top_Rank": -0.0682272, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(=O)CC(C1=O)C2=CC=CC=C2", "InChI_key": "WLWFNJKHKGIJNW-UHFFFAOYSA-N" } }, "CID:68602": { "type": "Drug", "properties": { "id": "CID:68602", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68602", "label": "medetomidine", "FDA_Category_D_L1000_Similarity": 0.635221, "FDA_Category_D_Structural_Similarity": -0.610446, "FDA_Category_D_Weighted_Contribution": -0.324257, "FDA_Category_D_Top_Rank": -0.0816085, "FDA_Category_X_L1000_Similarity": -0.759449, "FDA_Category_X_Structural_Similarity": -0.2455, "FDA_Category_X_Weighted_Contribution": -0.66148, "FDA_Category_X_Top_Rank": -0.0854429, "FDA_Category_D_and_X_L1000_Similarity": 0.316938, "FDA_Category_D_and_X_Structural_Similarity": -0.616989, "FDA_Category_D_and_X_Weighted_Contribution": -0.500291, "FDA_Category_D_and_X_Top_Rank": -0.0886992, "Placenta_Crossing_L1000_Similarity": -0.752767, "Placenta_Crossing_Structural_Similarity": 1.4558, "Placenta_Crossing_Weighted_Contribution": 0.943341, "Placenta_Crossing_Top_Rank": -0.0227007, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C", "InChI_key": "CUHVIMMYOGQXCV-UHFFFAOYSA-N" } }, "CID:686211": { "type": "Drug", "properties": { "id": "CID:686211", "label": "KU-C104126N", "lsm": "LSM-3471", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/686211", "FDA_Category_D_L1000_Similarity": 0.253632, "FDA_Category_D_Structural_Similarity": 0.0430325, "FDA_Category_D_Weighted_Contribution": 0.0661581, "FDA_Category_D_Top_Rank": -0.0840888, "FDA_Category_X_L1000_Similarity": 1.08099, "FDA_Category_X_Structural_Similarity": -0.751105, "FDA_Category_X_Weighted_Contribution": -0.3156, "FDA_Category_X_Top_Rank": -0.0687944, "FDA_Category_D_and_X_L1000_Similarity": 0.546911, "FDA_Category_D_and_X_Structural_Similarity": -0.371138, "FDA_Category_D_and_X_Weighted_Contribution": -0.190315, "FDA_Category_D_and_X_Top_Rank": -0.0847511, "Placenta_Crossing_L1000_Similarity": -0.0277167, "Placenta_Crossing_Structural_Similarity": -0.0690017, "Placenta_Crossing_Weighted_Contribution": -0.208328, "Placenta_Crossing_Top_Rank": -0.08361, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6914273": { "type": "Drug", "properties": { "id": "CID:6914273", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6914273", "label": "dantrolene", "FDA_Category_D_L1000_Similarity": 1.42785, "FDA_Category_D_Structural_Similarity": -0.525151, "FDA_Category_D_Weighted_Contribution": 0.182317, "FDA_Category_D_Top_Rank": -0.0210978, "FDA_Category_X_L1000_Similarity": -0.109544, "FDA_Category_X_Structural_Similarity": -0.23765, "FDA_Category_X_Weighted_Contribution": -0.388041, "FDA_Category_X_Top_Rank": -0.0852788, "FDA_Category_D_and_X_L1000_Similarity": 1.19755, "FDA_Category_D_and_X_Structural_Similarity": -0.545055, "FDA_Category_D_and_X_Weighted_Contribution": -0.0188544, "FDA_Category_D_and_X_Top_Rank": -0.0547518, "Placenta_Crossing_L1000_Similarity": 2.25857, "Placenta_Crossing_Structural_Similarity": -0.907941, "Placenta_Crossing_Weighted_Contribution": 0.0859362, "Placenta_Crossing_Top_Rank": 0.13608, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]", "InChI_key": "OZOMQRBLCMDCEG-VIZOYTHASA-N" } }, "CID:6918184": { "type": "Drug", "properties": { "id": "CID:6918184", "label": "y-27152", "lsm": "LSM-2947", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918184", "FDA_Category_D_L1000_Similarity": 1.56392, "FDA_Category_D_Structural_Similarity": 0.0643112, "FDA_Category_D_Weighted_Contribution": 0.87928, "FDA_Category_D_Top_Rank": 0.00603883, "FDA_Category_X_L1000_Similarity": 1.65077, "FDA_Category_X_Structural_Similarity": -0.563427, "FDA_Category_X_Weighted_Contribution": 0.135455, "FDA_Category_X_Top_Rank": -0.0351665, "FDA_Category_D_and_X_L1000_Similarity": 1.84944, "FDA_Category_D_and_X_Structural_Similarity": -0.252978, "FDA_Category_D_and_X_Weighted_Contribution": 0.629548, "FDA_Category_D_and_X_Top_Rank": 0.0457091, "Placenta_Crossing_L1000_Similarity": 2.21194, "Placenta_Crossing_Structural_Similarity": -0.503953, "Placenta_Crossing_Weighted_Contribution": 0.463124, "Placenta_Crossing_Top_Rank": 0.112366, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3", "InChI_key": "RHFUXPCCELGMFC-UXHICEINSA-N" } }, "CID:6918305": { "type": "Drug", "properties": { "id": "CID:6918305", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918305", "label": "ganaxolone", "FDA_Category_D_L1000_Similarity": 1.66245, "FDA_Category_D_Structural_Similarity": 2.37436, "FDA_Category_D_Weighted_Contribution": 3.17753, "FDA_Category_D_Top_Rank": 0.114382, "FDA_Category_X_L1000_Similarity": 2.09321, "FDA_Category_X_Structural_Similarity": 1.14188, "FDA_Category_X_Weighted_Contribution": 2.26095, "FDA_Category_X_Top_Rank": 0.0271932, "FDA_Category_D_and_X_L1000_Similarity": 2.06873, "FDA_Category_D_and_X_Structural_Similarity": 2.50072, "FDA_Category_D_and_X_Weighted_Contribution": 3.29485, "FDA_Category_D_and_X_Top_Rank": 0.12942, "Placenta_Crossing_L1000_Similarity": 1.27313, "Placenta_Crossing_Structural_Similarity": 2.29043, "Placenta_Crossing_Weighted_Contribution": 2.80482, "Placenta_Crossing_Top_Rank": 0.060465, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(C)O)C)C", "InChI_key": "PGTVWKLGGCQMBR-FLBATMFCSA-N" } }, "CID:6918324": { "type": "Drug", "properties": { "id": "CID:6918324", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918324", "label": "tonabersat", "FDA_Category_D_L1000_Similarity": 0.124197, "FDA_Category_D_Structural_Similarity": -0.421705, "FDA_Category_D_Weighted_Contribution": -0.416892, "FDA_Category_D_Top_Rank": -0.0910271, "FDA_Category_X_L1000_Similarity": -0.345696, "FDA_Category_X_Structural_Similarity": -0.648807, "FDA_Category_X_Weighted_Contribution": -0.807512, "FDA_Category_X_Top_Rank": -0.0894712, "FDA_Category_D_and_X_L1000_Similarity": 0.00207439, "FDA_Category_D_and_X_Structural_Similarity": -0.684807, "FDA_Category_D_and_X_Weighted_Contribution": -0.682108, "FDA_Category_D_and_X_Top_Rank": -0.0921817, "Placenta_Crossing_L1000_Similarity": -0.620549, "Placenta_Crossing_Structural_Similarity": -0.691371, "Placenta_Crossing_Weighted_Contribution": -0.904586, "Placenta_Crossing_Top_Rank": -0.0911284, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)C", "InChI_key": "XLIIRNOPGJTBJD-ROUUACIJSA-N" } }, "CID:6918409": { "type": "Drug", "properties": { "id": "CID:6918409", "label": "co-101244", "lsm": "LSM-3240", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918409", "FDA_Category_D_L1000_Similarity": 2.21472, "FDA_Category_D_Structural_Similarity": 0.973969, "FDA_Category_D_Weighted_Contribution": 2.25567, "FDA_Category_D_Top_Rank": 0.375399, "FDA_Category_X_L1000_Similarity": -0.576456, "FDA_Category_X_Structural_Similarity": 2.28935, "FDA_Category_X_Weighted_Contribution": 2.05966, "FDA_Category_X_Top_Rank": 0.0768512, "FDA_Category_D_and_X_L1000_Similarity": 1.73406, "FDA_Category_D_and_X_Structural_Similarity": 2.00838, "FDA_Category_D_and_X_Weighted_Contribution": 2.81415, "FDA_Category_D_and_X_Top_Rank": 0.0356486, "Placenta_Crossing_L1000_Similarity": 0.881881, "Placenta_Crossing_Structural_Similarity": 0.807667, "Placenta_Crossing_Weighted_Contribution": 1.13868, "Placenta_Crossing_Top_Rank": -0.0593147, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O", "InChI_key": "VKMFDKYCIKEDMR-UHFFFAOYSA-N" } }, "CID:70680398": { "type": "Drug", "properties": { "id": "CID:70680398", "label": "MW-SHH-97", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/70680398", "FDA_Category_D_L1000_Similarity": 1.06436, "FDA_Category_X_L1000_Similarity": 2.86179, "FDA_Category_D_and_X_L1000_Similarity": 1.78656, "Placenta_Crossing_L1000_Similarity": 1.70406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71781": { "type": "Drug", "properties": { "id": "CID:71781", "label": "mdl-11939", "lsm": "LSM-1685", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71781", "FDA_Category_D_L1000_Similarity": 1.28558, "FDA_Category_D_Structural_Similarity": 1.33288, "FDA_Category_D_Weighted_Contribution": 2.06937, "FDA_Category_D_Top_Rank": -0.0319747, "FDA_Category_X_L1000_Similarity": 0.215213, "FDA_Category_X_Structural_Similarity": -0.256375, "FDA_Category_X_Weighted_Contribution": -0.260244, "FDA_Category_X_Top_Rank": -0.0856421, "FDA_Category_D_and_X_L1000_Similarity": 1.17355, "FDA_Category_D_and_X_Structural_Similarity": 0.919587, "FDA_Category_D_and_X_Weighted_Contribution": 1.47345, "FDA_Category_D_and_X_Top_Rank": -0.0567753, "Placenta_Crossing_L1000_Similarity": 1.38638, "Placenta_Crossing_Structural_Similarity": 1.12412, "Placenta_Crossing_Weighted_Contribution": 1.75236, "Placenta_Crossing_Top_Rank": -0.044394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(C2=CC=CC=C2)O)CCC3=CC=CC=C3", "InChI_key": "AXNGJCOYCMDPQG-UHFFFAOYSA-N" } }, "CID:72385": { "type": "Drug", "properties": { "id": "CID:72385", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72385", "label": "nonoxynol-9", "FDA_Category_D_L1000_Similarity": -2.42388, "FDA_Category_D_Structural_Similarity": -0.86201, "FDA_Category_D_Weighted_Contribution": -1.51148, "FDA_Category_D_Top_Rank": -0.0968074, "FDA_Category_X_L1000_Similarity": -0.718598, "FDA_Category_X_Structural_Similarity": -0.428248, "FDA_Category_X_Weighted_Contribution": -0.783049, "FDA_Category_X_Top_Rank": -0.0886818, "FDA_Category_D_and_X_L1000_Similarity": -2.30764, "FDA_Category_D_and_X_Structural_Similarity": -0.91527, "FDA_Category_D_and_X_Weighted_Contribution": -1.46875, "FDA_Category_D_and_X_Top_Rank": -0.0964349, "Placenta_Crossing_L1000_Similarity": -3.17112, "Placenta_Crossing_Structural_Similarity": -0.293904, "Placenta_Crossing_Weighted_Contribution": -1.36518, "Placenta_Crossing_Top_Rank": -0.0873937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO", "InChI_key": "FBWNMEQMRUMQSO-UHFFFAOYSA-N" } }, "CID:73707499": { "type": "Drug", "properties": { "id": "CID:73707499", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707499", "label": "Paromomycin", "FDA_Category_D_L1000_Similarity": 0.39556, "FDA_Category_D_Structural_Similarity": 1.89097, "FDA_Category_D_Weighted_Contribution": 2.10701, "FDA_Category_D_Top_Rank": 0.0310358, "FDA_Category_X_L1000_Similarity": 0.00269283, "FDA_Category_X_Structural_Similarity": 0.683633, "FDA_Category_X_Weighted_Contribution": 0.581107, "FDA_Category_X_Top_Rank": -0.0546424, "FDA_Category_D_and_X_L1000_Similarity": 0.341798, "FDA_Category_D_and_X_Structural_Similarity": 1.86977, "FDA_Category_D_and_X_Weighted_Contribution": 1.97646, "FDA_Category_D_and_X_Top_Rank": 0.0215086, "Placenta_Crossing_L1000_Similarity": 1.02383, "Placenta_Crossing_Structural_Similarity": 2.35213, "Placenta_Crossing_Weighted_Contribution": 2.75116, "Placenta_Crossing_Top_Rank": 0.0687966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:766949": { "type": "Drug", "properties": { "id": "CID:766949", "label": "JNK-IN-5A", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/766949", "FDA_Category_D_L1000_Similarity": -0.254563, "FDA_Category_D_Structural_Similarity": -0.733885, "FDA_Category_D_Weighted_Contribution": -0.81698, "FDA_Category_D_Top_Rank": -0.0939862, "FDA_Category_X_L1000_Similarity": -1.54053, "FDA_Category_X_Structural_Similarity": -0.691277, "FDA_Category_X_Weighted_Contribution": -1.20766, "FDA_Category_X_Top_Rank": -0.091875, "FDA_Category_D_and_X_L1000_Similarity": -0.687274, "FDA_Category_D_and_X_Structural_Similarity": -0.955505, "FDA_Category_D_and_X_Weighted_Contribution": -1.09092, "FDA_Category_D_and_X_Top_Rank": -0.09564, "Placenta_Crossing_L1000_Similarity": -0.810188, "Placenta_Crossing_Structural_Similarity": -0.746582, "Placenta_Crossing_Weighted_Contribution": -0.996596, "Placenta_Crossing_Top_Rank": -0.0914866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:821257": { "type": "Drug", "properties": { "id": "CID:821257", "label": "ran-14a", "lsm": "LSM-4815", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/821257", "FDA_Category_D_L1000_Similarity": 0.857512, "FDA_Category_D_Structural_Similarity": 0.171465, "FDA_Category_D_Weighted_Contribution": 0.551971, "FDA_Category_D_Top_Rank": -0.0734553, "FDA_Category_X_L1000_Similarity": 0.747298, "FDA_Category_X_Structural_Similarity": -0.754257, "FDA_Category_X_Weighted_Contribution": -0.463254, "FDA_Category_X_Top_Rank": -0.078118, "FDA_Category_D_and_X_L1000_Similarity": 0.966136, "FDA_Category_D_and_X_Structural_Similarity": -0.2709, "FDA_Category_D_and_X_Weighted_Contribution": 0.116511, "FDA_Category_D_and_X_Top_Rank": -0.0709299, "Placenta_Crossing_L1000_Similarity": 1.08552, "Placenta_Crossing_Structural_Similarity": 0.972589, "Placenta_Crossing_Weighted_Contribution": 1.42837, "Placenta_Crossing_Top_Rank": -0.0514449, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C2=NC(=O)C3=CC=CC=C3N2", "InChI_key": "KSDABWGBZQUTRR-UHFFFAOYSA-N" } }, "CID:839770": { "type": "Drug", "properties": { "id": "CID:839770", "label": "ran-14b", "lsm": "LSM-4814", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/839770", "FDA_Category_D_L1000_Similarity": -0.132972, "FDA_Category_D_Structural_Similarity": -0.23165, "FDA_Category_D_Weighted_Contribution": -0.384192, "FDA_Category_D_Top_Rank": -0.0901251, "FDA_Category_X_L1000_Similarity": 1.6882, "FDA_Category_X_Structural_Similarity": -0.623997, "FDA_Category_X_Weighted_Contribution": 0.0933035, "FDA_Category_X_Top_Rank": -0.0317929, "FDA_Category_D_and_X_L1000_Similarity": 0.398044, "FDA_Category_D_and_X_Structural_Similarity": -0.52057, "FDA_Category_D_and_X_Weighted_Contribution": -0.387277, "FDA_Category_D_and_X_Top_Rank": -0.0874783, "Placenta_Crossing_L1000_Similarity": 0.0986088, "Placenta_Crossing_Structural_Similarity": -0.970905, "Placenta_Crossing_Weighted_Contribution": -0.850034, "Placenta_Crossing_Top_Rank": -0.087576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)C2=NC(=NC3=CC=CC=C32)N4CCCC4", "InChI_key": "VGDXTDLSFZUVNN-UHFFFAOYSA-N" } }, "CID:861": { "type": "Drug", "properties": { "id": "CID:861", "label": "rathyronine", "lsm": "LSM-1780", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/861", "FDA_Category_D_L1000_Similarity": 1.06588, "FDA_Category_D_Structural_Similarity": 0.312951, "FDA_Category_D_Weighted_Contribution": 0.83278, "FDA_Category_D_Top_Rank": -0.0609703, "FDA_Category_X_L1000_Similarity": 1.51721, "FDA_Category_X_Structural_Similarity": -0.409576, "FDA_Category_X_Weighted_Contribution": 0.224379, "FDA_Category_X_Top_Rank": -0.0459537, "FDA_Category_D_and_X_L1000_Similarity": 1.37955, "FDA_Category_D_and_X_Structural_Similarity": 0.0273881, "FDA_Category_D_and_X_Weighted_Contribution": 0.647193, "FDA_Category_D_and_X_Top_Rank": -0.0395272, "Placenta_Crossing_L1000_Similarity": 1.1699, "Placenta_Crossing_Structural_Similarity": -0.278859, "Placenta_Crossing_Weighted_Contribution": 0.159824, "Placenta_Crossing_Top_Rank": -0.0633243, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O", "InChI_key": "AUYYCJSJGJYCDS-UHFFFAOYSA-N" } }, "CID:8982": { "type": "Drug", "properties": { "id": "CID:8982", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8982", "label": "nafcillin", "FDA_Category_D_L1000_Similarity": 1.38542, "FDA_Category_D_Structural_Similarity": 1.06611, "FDA_Category_D_Weighted_Contribution": 1.85275, "FDA_Category_D_Top_Rank": -0.0269729, "FDA_Category_X_L1000_Similarity": -0.308181, "FDA_Category_X_Structural_Similarity": 2.95131, "FDA_Category_X_Weighted_Contribution": 2.85748, "FDA_Category_X_Top_Rank": 0.208207, "FDA_Category_D_and_X_L1000_Similarity": 1.10066, "FDA_Category_D_and_X_Structural_Similarity": 2.4387, "FDA_Category_D_and_X_Weighted_Contribution": 2.87356, "FDA_Category_D_and_X_Top_Rank": 0.0963261, "Placenta_Crossing_L1000_Similarity": 2.06033, "Placenta_Crossing_Structural_Similarity": 9.50681, "Placenta_Crossing_Weighted_Contribution": 4.4446, "Placenta_Crossing_Top_Rank": 54.0494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O", "InChI_key": "GPXLMGHLHQJAGZ-JTDSTZFVSA-N" } }, "CID:92722": { "type": "Drug", "properties": { "id": "CID:92722", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID92722", "label": "argatroban", "FDA_Category_D_L1000_Similarity": 0.85682, "FDA_Category_D_Structural_Similarity": 4.07125, "FDA_Category_D_Weighted_Contribution": 3.8496, "FDA_Category_D_Top_Rank": 0.54941, "FDA_Category_X_L1000_Similarity": 3.40239, "FDA_Category_X_Structural_Similarity": -0.538181, "FDA_Category_X_Weighted_Contribution": 1.11811, "FDA_Category_X_Top_Rank": 1.45038, "FDA_Category_D_and_X_L1000_Similarity": 1.77184, "FDA_Category_D_and_X_Structural_Similarity": 2.941, "FDA_Category_D_and_X_Weighted_Contribution": 3.45334, "FDA_Category_D_and_X_Top_Rank": 0.19141, "Placenta_Crossing_L1000_Similarity": 1.27756, "Placenta_Crossing_Structural_Similarity": 4.13574, "Placenta_Crossing_Weighted_Contribution": 3.86796, "Placenta_Crossing_Top_Rank": 0.554056, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C", "InChI_key": "KXNPVXPOPUZYGB-IOVMHBDKSA-N" } }, "CID:9363": { "type": "Drug", "properties": { "id": "CID:9363", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9363", "label": "etamivan", "FDA_Category_D_L1000_Similarity": -0.294103, "FDA_Category_D_Structural_Similarity": -0.493289, "FDA_Category_D_Weighted_Contribution": -0.663662, "FDA_Category_D_Top_Rank": -0.0940283, "FDA_Category_X_L1000_Similarity": 0.342481, "FDA_Category_X_Structural_Similarity": -0.0180218, "FDA_Category_X_Weighted_Contribution": 0.0262283, "FDA_Category_X_Top_Rank": -0.0801934, "FDA_Category_D_and_X_L1000_Similarity": -0.149518, "FDA_Category_D_and_X_Structural_Similarity": -0.401255, "FDA_Category_D_and_X_Weighted_Contribution": -0.535572, "FDA_Category_D_and_X_Top_Rank": -0.0929714, "Placenta_Crossing_L1000_Similarity": 0.391573, "Placenta_Crossing_Structural_Similarity": -0.370963, "Placenta_Crossing_Weighted_Contribution": -0.285679, "Placenta_Crossing_Top_Rank": -0.0845655, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC", "InChI_key": "BQJODPIMMWWMFC-UHFFFAOYSA-N" } }, "CID:97807": { "type": "Drug", "properties": { "id": "CID:97807", "label": "safrolglycol", "lsm": "LSM-1505", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/97807", "FDA_Category_D_L1000_Similarity": 0.0629653, "FDA_Category_D_Structural_Similarity": -0.810409, "FDA_Category_D_Weighted_Contribution": -0.741482, "FDA_Category_D_Top_Rank": -0.0916423, "FDA_Category_X_L1000_Similarity": 0.136479, "FDA_Category_X_Structural_Similarity": -0.561207, "FDA_Category_X_Weighted_Contribution": -0.556443, "FDA_Category_X_Top_Rank": -0.0865548, "FDA_Category_D_and_X_L1000_Similarity": 0.0957212, "FDA_Category_D_and_X_Structural_Similarity": -0.946057, "FDA_Category_D_and_X_Weighted_Contribution": -0.824527, "FDA_Category_D_and_X_Top_Rank": -0.091375, "Placenta_Crossing_L1000_Similarity": 0.192059, "Placenta_Crossing_Structural_Similarity": -1.01494, "Placenta_Crossing_Weighted_Contribution": -0.847834, "Placenta_Crossing_Top_Rank": -0.0866663, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9823820": { "type": "Drug", "properties": { "id": "CID:9823820", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9823820", "label": "lenvatinib", "FDA_Category_D_L1000_Similarity": 0.535817, "FDA_Category_D_Structural_Similarity": -0.368987, "FDA_Category_D_Weighted_Contribution": -0.163528, "FDA_Category_D_Top_Rank": -0.0843718, "FDA_Category_X_L1000_Similarity": 2.12438, "FDA_Category_X_Structural_Similarity": 0.557595, "FDA_Category_X_Weighted_Contribution": 1.63761, "FDA_Category_X_Top_Rank": 0.0345372, "FDA_Category_D_and_X_L1000_Similarity": 1.10702, "FDA_Category_D_and_X_Structural_Similarity": 0.00800571, "FDA_Category_D_and_X_Weighted_Contribution": 0.469849, "FDA_Category_D_and_X_Top_Rank": -0.0621759, "Placenta_Crossing_L1000_Similarity": 1.22854, "Placenta_Crossing_Structural_Similarity": 0.255673, "Placenta_Crossing_Weighted_Contribution": 0.735187, "Placenta_Crossing_Top_Rank": -0.060434, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl", "InChI_key": "WOSKHXYHFSIKNG-UHFFFAOYSA-N" } }, "CID:9824562": { "type": "Drug", "properties": { "id": "CID:9824562", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9824562", "label": "(2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide", "FDA_Category_D_L1000_Similarity": 1.84289, "FDA_Category_D_Structural_Similarity": 2.87142, "FDA_Category_D_Weighted_Contribution": 3.556, "FDA_Category_D_Top_Rank": 0.192867, "FDA_Category_X_L1000_Similarity": 2.98857, "FDA_Category_X_Structural_Similarity": 0.225944, "FDA_Category_X_Weighted_Contribution": 1.75108, "FDA_Category_X_Top_Rank": 0.532177, "FDA_Category_D_and_X_L1000_Similarity": 2.49618, "FDA_Category_D_and_X_Structural_Similarity": 2.40101, "FDA_Category_D_and_X_Weighted_Contribution": 3.37825, "FDA_Category_D_and_X_Top_Rank": 0.488898, "Placenta_Crossing_L1000_Similarity": 2.15673, "Placenta_Crossing_Structural_Similarity": 1.92713, "Placenta_Crossing_Weighted_Contribution": 2.87348, "Placenta_Crossing_Top_Rank": 0.090342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O", "InChI_key": "YVXVTLGIDOACBJ-SFHVURJKSA-N" } }, "CID:9836739": { "type": "Drug", "properties": { "id": "CID:9836739", "label": "pnu-74654", "lsm": "LSM-5449", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9836739", "FDA_Category_D_L1000_Similarity": 0.358826, "FDA_Category_D_Structural_Similarity": -0.3336, "FDA_Category_D_Weighted_Contribution": -0.224413, "FDA_Category_D_Top_Rank": -0.0878634, "FDA_Category_X_L1000_Similarity": -2.29664, "FDA_Category_X_Structural_Similarity": -0.644433, "FDA_Category_X_Weighted_Contribution": -1.37205, "FDA_Category_X_Top_Rank": -0.0915021, "FDA_Category_D_and_X_L1000_Similarity": -0.388127, "FDA_Category_D_and_X_Structural_Similarity": -0.612516, "FDA_Category_D_and_X_Weighted_Contribution": -0.783261, "FDA_Category_D_and_X_Top_Rank": -0.0946289, "Placenta_Crossing_L1000_Similarity": -0.323196, "Placenta_Crossing_Structural_Similarity": -0.0928191, "Placenta_Crossing_Weighted_Contribution": -0.356974, "Placenta_Crossing_Top_Rank": -0.0840578, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(O1)C=NNC(=O)C2=CC=CC=C2OC3=CC=CC=C3", "InChI_key": "JJEDWBQZCRESJL-DEDYPNTBSA-N" } }, "CID:9860529": { "type": "Drug", "properties": { "id": "CID:9860529", "label": "nu-7026", "lsm": "LSM-2191", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9860529", "FDA_Category_D_L1000_Similarity": 0.486972, "FDA_Category_D_Structural_Similarity": -0.0829974, "FDA_Category_D_Weighted_Contribution": 0.0763531, "FDA_Category_D_Top_Rank": -0.0855332, "FDA_Category_X_L1000_Similarity": -0.412576, "FDA_Category_X_Structural_Similarity": -0.673094, "FDA_Category_X_Weighted_Contribution": -0.84835, "FDA_Category_X_Top_Rank": -0.0897254, "FDA_Category_D_and_X_L1000_Similarity": 0.294496, "FDA_Category_D_and_X_Structural_Similarity": -0.429075, "FDA_Category_D_and_X_Weighted_Contribution": -0.359852, "FDA_Category_D_and_X_Top_Rank": -0.0890146, "Placenta_Crossing_L1000_Similarity": 1.88097, "Placenta_Crossing_Structural_Similarity": -0.536621, "Placenta_Crossing_Weighted_Contribution": 0.260802, "Placenta_Crossing_Top_Rank": 0.0186237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3", "InChI_key": "KKTZALUTXUZPSN-UHFFFAOYSA-N" } }, "CID:10071196": { "type": "Drug", "properties": { "id": "CID:10071196", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10071196", "label": "pimavanserin", "FDA_Category_D_L1000_Similarity": -0.384362, "FDA_Category_D_Structural_Similarity": -0.681789, "FDA_Category_D_Weighted_Contribution": -0.833035, "FDA_Category_D_Top_Rank": -0.0946407, "FDA_Category_X_L1000_Similarity": 1.06651, "FDA_Category_X_Structural_Similarity": -0.458875, "FDA_Category_X_Weighted_Contribution": -0.0505176, "FDA_Category_X_Top_Rank": -0.0693186, "FDA_Category_D_and_X_L1000_Similarity": -0.00744754, "FDA_Category_D_and_X_Structural_Similarity": -0.788753, "FDA_Category_D_and_X_Weighted_Contribution": -0.758149, "FDA_Category_D_and_X_Top_Rank": -0.0922623, "Placenta_Crossing_L1000_Similarity": 0.696619, "Placenta_Crossing_Structural_Similarity": -0.936138, "Placenta_Crossing_Weighted_Contribution": -0.614134, "Placenta_Crossing_Top_Rank": -0.0789772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C", "InChI_key": "RKEWSXXUOLRFBX-UHFFFAOYSA-N" } }, "CID:10109823": { "type": "Drug", "properties": { "id": "CID:10109823", "label": "as-601245", "lsm": "LSM-1034", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10109823", "FDA_Category_D_L1000_Similarity": 0.731247, "FDA_Category_D_Structural_Similarity": -0.831414, "FDA_Category_D_Weighted_Contribution": -0.461138, "FDA_Category_D_Top_Rank": -0.078623, "FDA_Category_X_L1000_Similarity": 0.0514182, "FDA_Category_X_Structural_Similarity": -0.682688, "FDA_Category_X_Weighted_Contribution": -0.685618, "FDA_Category_X_Top_Rank": -0.0872323, "FDA_Category_D_and_X_L1000_Similarity": 0.645962, "FDA_Category_D_and_X_Structural_Similarity": -1.02828, "FDA_Category_D_and_X_Weighted_Contribution": -0.66965, "FDA_Category_D_and_X_Top_Rank": -0.0825072, "Placenta_Crossing_L1000_Similarity": 0.519807, "Placenta_Crossing_Structural_Similarity": -0.784928, "Placenta_Crossing_Weighted_Contribution": -0.567828, "Placenta_Crossing_Top_Rank": -0.0825808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4", "InChI_key": "RCYPVQCPYKNSTG-UHFFFAOYSA-N" } }, "CID:10377751": { "type": "Drug", "properties": { "id": "CID:10377751", "label": "as-605240", "lsm": "LSM-1054", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10377751", "FDA_Category_D_L1000_Similarity": 2.08537, "FDA_Category_D_Structural_Similarity": -0.696086, "FDA_Category_D_Weighted_Contribution": 0.397783, "FDA_Category_D_Top_Rank": 0.264969, "FDA_Category_X_L1000_Similarity": 1.85325, "FDA_Category_X_Structural_Similarity": 1.44905, "FDA_Category_X_Weighted_Contribution": 2.4539, "FDA_Category_X_Top_Rank": -0.0116684, "FDA_Category_D_and_X_L1000_Similarity": 2.36042, "FDA_Category_D_and_X_Structural_Similarity": 0.229411, "FDA_Category_D_and_X_Weighted_Contribution": 1.44701, "FDA_Category_D_and_X_Top_Rank": 0.328674, "Placenta_Crossing_L1000_Similarity": 3.04563, "Placenta_Crossing_Structural_Similarity": -0.345362, "Placenta_Crossing_Weighted_Contribution": 1.07888, "Placenta_Crossing_Top_Rank": 1.10496, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3", "InChI_key": "SQWZFLMPDUSYGV-UXBLZVDNSA-N" } }, "CID:10405323": { "type": "Drug", "properties": { "id": "CID:10405323", "label": "wr-216174", "lsm": "LSM-2584", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10405323", "FDA_Category_D_L1000_Similarity": -2.26448, "FDA_Category_D_Structural_Similarity": -0.328067, "FDA_Category_D_Weighted_Contribution": -1.25778, "FDA_Category_D_Top_Rank": -0.0918566, "FDA_Category_X_L1000_Similarity": -1.33125, "FDA_Category_X_Structural_Similarity": -0.578352, "FDA_Category_X_Weighted_Contribution": -1.08439, "FDA_Category_X_Top_Rank": -0.0908307, "FDA_Category_D_and_X_L1000_Similarity": -2.35629, "FDA_Category_D_and_X_Structural_Similarity": -0.572468, "FDA_Category_D_and_X_Weighted_Contribution": -1.35049, "FDA_Category_D_and_X_Top_Rank": -0.0945942, "Placenta_Crossing_L1000_Similarity": -2.24799, "Placenta_Crossing_Structural_Similarity": -0.743783, "Placenta_Crossing_Weighted_Contribution": -1.35762, "Placenta_Crossing_Top_Rank": -0.091471, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)C=C2C3=C(C=CC(=C3)Br)NC2=O)F", "InChI_key": "VVBIXEJMWRHSLL-JYRVWZFOSA-N" } }, "CID:10620479": { "type": "Drug", "properties": { "id": "CID:10620479", "label": "BML-278", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10620479", "FDA_Category_D_L1000_Similarity": 0.541064, "FDA_Category_D_Structural_Similarity": 0.591024, "FDA_Category_D_Weighted_Contribution": 0.801239, "FDA_Category_D_Top_Rank": -0.0677286, "FDA_Category_X_L1000_Similarity": -1.37275, "FDA_Category_X_Structural_Similarity": -0.565804, "FDA_Category_X_Weighted_Contribution": -1.08928, "FDA_Category_X_Top_Rank": -0.0906705, "FDA_Category_D_and_X_L1000_Similarity": 0.049526, "FDA_Category_D_and_X_Structural_Similarity": 0.163798, "FDA_Category_D_and_X_Weighted_Contribution": 0.0417837, "FDA_Category_D_and_X_Top_Rank": -0.0824261, "Placenta_Crossing_L1000_Similarity": 0.696732, "Placenta_Crossing_Structural_Similarity": 0.0383875, "Placenta_Crossing_Weighted_Contribution": 0.235339, "Placenta_Crossing_Top_Rank": -0.0789599, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:108137": { "type": "Drug", "properties": { "id": "CID:108137", "label": "sch-28080", "lsm": "LSM-3243", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/108137", "FDA_Category_D_L1000_Similarity": 0.292001, "FDA_Category_D_Structural_Similarity": -0.271658, "FDA_Category_D_Weighted_Contribution": -0.204198, "FDA_Category_D_Top_Rank": -0.0889634, "FDA_Category_X_L1000_Similarity": 0.125822, "FDA_Category_X_Structural_Similarity": 0.7254, "FDA_Category_X_Weighted_Contribution": 0.694834, "FDA_Category_X_Top_Rank": -0.0529139, "FDA_Category_D_and_X_L1000_Similarity": 0.289929, "FDA_Category_D_and_X_Structural_Similarity": 0.175804, "FDA_Category_D_and_X_Weighted_Contribution": 0.181445, "FDA_Category_D_and_X_Top_Rank": -0.0821561, "Placenta_Crossing_L1000_Similarity": 1.65886, "Placenta_Crossing_Structural_Similarity": -0.229119, "Placenta_Crossing_Weighted_Contribution": 0.457231, "Placenta_Crossing_Top_Rank": -0.0208615, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CC#N", "InChI_key": "PYKJFEPAUKAXNN-UHFFFAOYSA-N" } }, "CID:10947895": { "type": "Drug", "properties": { "id": "CID:10947895", "label": "paroxetine", "lsm": "LSM-2843", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10947895", "drugcentral_id": "2068", "IDG_ID": "2068", "FDA_Category_D_L1000_Similarity": -2.32614, "FDA_Category_D_Structural_Similarity": -0.389828, "FDA_Category_D_Weighted_Contribution": -1.30302, "FDA_Category_D_Top_Rank": -0.0927887, "FDA_Category_X_L1000_Similarity": 0.416777, "FDA_Category_X_Structural_Similarity": -0.376615, "FDA_Category_X_Weighted_Contribution": -0.277798, "FDA_Category_X_Top_Rank": -0.0835485, "FDA_Category_D_and_X_L1000_Similarity": -1.87861, "FDA_Category_D_and_X_Structural_Similarity": -0.512631, "FDA_Category_D_and_X_Weighted_Contribution": -1.20524, "FDA_Category_D_and_X_Top_Rank": -0.0941036, "Placenta_Crossing_L1000_Similarity": -2.04519, "Placenta_Crossing_Structural_Similarity": -0.649238, "Placenta_Crossing_Weighted_Contribution": -1.27196, "Placenta_Crossing_Top_Rank": -0.0909055, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F", "InChI_key": "MOJZPKOBKCXNKG-YJBOKZPZSA-N" } }, "CID:11207937": { "type": "Drug", "properties": { "id": "CID:11207937", "label": "TMPH", "lsm": "LSM-3080", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11207937", "FDA_Category_D_L1000_Similarity": 1.72523, "FDA_Category_D_Structural_Similarity": 0.160646, "FDA_Category_D_Weighted_Contribution": 1.087, "FDA_Category_D_Top_Rank": 0.0495909, "FDA_Category_X_L1000_Similarity": 0.976138, "FDA_Category_X_Structural_Similarity": 0.428621, "FDA_Category_X_Weighted_Contribution": 0.838319, "FDA_Category_X_Top_Rank": -0.0647554, "FDA_Category_D_and_X_L1000_Similarity": 1.78361, "FDA_Category_D_and_X_Structural_Similarity": 0.358789, "FDA_Category_D_and_X_Weighted_Contribution": 1.23974, "FDA_Category_D_and_X_Top_Rank": 0.0295628, "Placenta_Crossing_L1000_Similarity": 1.47344, "Placenta_Crossing_Structural_Similarity": -0.107777, "Placenta_Crossing_Weighted_Contribution": 0.485236, "Placenta_Crossing_Top_Rank": -0.0426185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11326715": { "type": "Drug", "properties": { "id": "CID:11326715", "label": "enobosarm", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11326715", "FDA_Category_D_L1000_Similarity": 2.01939, "FDA_Category_X_L1000_Similarity": -0.688548, "FDA_Category_D_and_X_L1000_Similarity": 1.53164, "Placenta_Crossing_L1000_Similarity": 0.907667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O", "InChI_key": "JNGVJMBLXIUVRD-SFHVURJKSA-N" } }, "CID:11561383": { "type": "Drug", "properties": { "id": "CID:11561383", "label": "nesbuvir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11561383", "FDA_Category_D_L1000_Similarity": -1.07362, "FDA_Category_D_Structural_Similarity": -0.49443, "FDA_Category_D_Weighted_Contribution": -0.971096, "FDA_Category_D_Top_Rank": -0.0940441, "FDA_Category_X_L1000_Similarity": 1.41227, "FDA_Category_X_Structural_Similarity": 0.117971, "FDA_Category_X_Weighted_Contribution": 0.735122, "FDA_Category_X_Top_Rank": -0.0524218, "FDA_Category_D_and_X_L1000_Similarity": -0.496602, "FDA_Category_D_and_X_Structural_Similarity": -0.328779, "FDA_Category_D_and_X_Weighted_Contribution": -0.626943, "FDA_Category_D_and_X_Top_Rank": -0.0921125, "Placenta_Crossing_L1000_Similarity": 0.906237, "Placenta_Crossing_Structural_Similarity": -0.55412, "Placenta_Crossing_Weighted_Contribution": -0.218249, "Placenta_Crossing_Top_Rank": -0.0734648, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CCO)S(=O)(=O)C)C4=CC=C(C=C4)F", "InChI_key": "WTDWVLJJJOTABN-UHFFFAOYSA-N" } }, "CID:11640390": { "type": "Drug", "properties": { "id": "CID:11640390", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11640390", "label": "linsitinib", "FDA_Category_D_L1000_Similarity": -1.17869, "FDA_Category_D_Structural_Similarity": -0.346309, "FDA_Category_D_Weighted_Contribution": -0.917349, "FDA_Category_D_Top_Rank": -0.0921498, "FDA_Category_X_L1000_Similarity": 0.712887, "FDA_Category_X_Structural_Similarity": 0.192071, "FDA_Category_X_Weighted_Contribution": 0.433786, "FDA_Category_X_Top_Rank": -0.0735174, "FDA_Category_D_and_X_L1000_Similarity": -0.799558, "FDA_Category_D_and_X_Structural_Similarity": -0.171229, "FDA_Category_D_and_X_Weighted_Contribution": -0.635906, "FDA_Category_D_and_X_Top_Rank": -0.0897117, "Placenta_Crossing_L1000_Similarity": -0.873587, "Placenta_Crossing_Structural_Similarity": -0.459701, "Placenta_Crossing_Weighted_Contribution": -0.838267, "Placenta_Crossing_Top_Rank": -0.0893239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "PKCDDUHJAFVJJB-FQFBAAABSA-N" } }, "CID:1176": { "type": "Drug", "properties": { "id": "CID:1176", "label": "urea", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1176", "FDA_Category_D_L1000_Similarity": 0.433136, "FDA_Category_D_Structural_Similarity": 1.5248, "FDA_Category_D_Weighted_Contribution": 1.7477, "FDA_Category_D_Top_Rank": -0.0145149, "FDA_Category_X_L1000_Similarity": -0.0489009, "FDA_Category_X_Structural_Similarity": -0.30402, "FDA_Category_X_Weighted_Contribution": -0.419152, "FDA_Category_X_Top_Rank": -0.0865835, "FDA_Category_D_and_X_L1000_Similarity": 0.358526, "FDA_Category_D_and_X_Structural_Similarity": 1.0462, "FDA_Category_D_and_X_Weighted_Contribution": 1.12036, "FDA_Category_D_and_X_Top_Rank": -0.0500252, "Placenta_Crossing_L1000_Similarity": 0.40287, "Placenta_Crossing_Structural_Similarity": 0.0357728, "Placenta_Crossing_Weighted_Contribution": 0.0881332, "Placenta_Crossing_Top_Rank": -0.081536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(=O)(N)N", "InChI_key": "XSQUKJJJFZCRTK-UHFFFAOYSA-N" } }, "CID:119565": { "type": "Drug", "properties": { "id": "CID:119565", "label": "l-bso", "lsm": "LSM-4915", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/119565", "FDA_Category_D_L1000_Similarity": 0.76043, "FDA_Category_X_L1000_Similarity": 0.300845, "FDA_Category_D_and_X_L1000_Similarity": 0.746855, "Placenta_Crossing_L1000_Similarity": 1.31744, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCS(=N)(=O)CCC(C(=O)O)N", "InChI_key": "KJQFBVYMGADDTQ-CVSPRKDYSA-N" } }, "CID:11960529": { "type": "Drug", "properties": { "id": "CID:11960529", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11960529", "label": "veliparib", "FDA_Category_D_L1000_Similarity": 1.88944, "FDA_Category_D_Structural_Similarity": 0.527083, "FDA_Category_D_Weighted_Contribution": 1.59193, "FDA_Category_D_Top_Rank": 0.114382, "FDA_Category_X_L1000_Similarity": 1.76347, "FDA_Category_X_Structural_Similarity": -0.7415, "FDA_Category_X_Weighted_Contribution": 0.0140028, "FDA_Category_X_Top_Rank": -0.0240296, "FDA_Category_D_and_X_L1000_Similarity": 2.16426, "FDA_Category_D_and_X_Structural_Similarity": 0.0182426, "FDA_Category_D_and_X_Weighted_Contribution": 1.10352, "FDA_Category_D_and_X_Top_Rank": 0.185491, "Placenta_Crossing_L1000_Similarity": 3.09002, "Placenta_Crossing_Structural_Similarity": -0.138476, "Placenta_Crossing_Weighted_Contribution": 1.32684, "Placenta_Crossing_Top_Rank": 1.40578, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N", "InChI_key": "JNAHVYVRKWKWKQ-CYBMUJFWSA-N" } }, "CID:11998575": { "type": "Drug", "properties": { "id": "CID:11998575", "label": "palomid 529", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11998575", "FDA_Category_D_L1000_Similarity": -0.0192537, "FDA_Category_D_Structural_Similarity": 0.498653, "FDA_Category_D_Weighted_Contribution": 0.359228, "FDA_Category_D_Top_Rank": -0.0710693, "FDA_Category_X_L1000_Similarity": 1.1664, "FDA_Category_X_Structural_Similarity": 0.228313, "FDA_Category_X_Weighted_Contribution": 0.721023, "FDA_Category_X_Top_Rank": -0.0657425, "FDA_Category_D_and_X_L1000_Similarity": 0.337618, "FDA_Category_D_and_X_Structural_Similarity": 0.518984, "FDA_Category_D_and_X_Weighted_Contribution": 0.551432, "FDA_Category_D_and_X_Top_Rank": -0.073308, "Placenta_Crossing_L1000_Similarity": 1.37327, "Placenta_Crossing_Structural_Similarity": 1.51252, "Placenta_Crossing_Weighted_Contribution": 2.143, "Placenta_Crossing_Top_Rank": -0.0189305, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O", "InChI_key": "YEAHTLOYHVWAKW-UHFFFAOYSA-N" } }, "CID:121891": { "type": "Drug", "properties": { "id": "CID:121891", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID121891", "label": "mitiglinide", "FDA_Category_D_L1000_Similarity": 0.782349, "FDA_Category_D_Structural_Similarity": 0.0605161, "FDA_Category_D_Weighted_Contribution": 0.391192, "FDA_Category_D_Top_Rank": -0.0766934, "FDA_Category_X_L1000_Similarity": 0.358865, "FDA_Category_X_Structural_Similarity": -0.69894, "FDA_Category_X_Weighted_Contribution": -0.5778, "FDA_Category_X_Top_Rank": -0.0842833, "FDA_Category_D_and_X_L1000_Similarity": 0.783378, "FDA_Category_D_and_X_Structural_Similarity": -0.329113, "FDA_Category_D_and_X_Weighted_Contribution": -0.0337755, "FDA_Category_D_and_X_Top_Rank": -0.0783894, "Placenta_Crossing_L1000_Similarity": 0.0761706, "Placenta_Crossing_Structural_Similarity": -0.145302, "Placenta_Crossing_Weighted_Contribution": -0.228977, "Placenta_Crossing_Top_Rank": -0.0850967, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)O", "InChI_key": "WPGGHFDDFPHPOB-BBWFWOEESA-N" } }, "CID:123619": { "type": "Drug", "properties": { "id": "CID:123619", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123619", "label": "etoricoxib", "FDA_Category_D_L1000_Similarity": 1.63288, "FDA_Category_D_Structural_Similarity": -0.635343, "FDA_Category_D_Weighted_Contribution": 0.192057, "FDA_Category_D_Top_Rank": 0.0230742, "FDA_Category_X_L1000_Similarity": 1.0728, "FDA_Category_X_Structural_Similarity": -0.551336, "FDA_Category_X_Weighted_Contribution": -0.135899, "FDA_Category_X_Top_Rank": -0.0690512, "FDA_Category_D_and_X_L1000_Similarity": 1.73336, "FDA_Category_D_and_X_Structural_Similarity": -0.801779, "FDA_Category_D_and_X_Weighted_Contribution": 0.0215507, "FDA_Category_D_and_X_Top_Rank": 0.0175837, "Placenta_Crossing_L1000_Similarity": 1.54088, "Placenta_Crossing_Structural_Similarity": -0.752527, "Placenta_Crossing_Weighted_Contribution": -0.108209, "Placenta_Crossing_Top_Rank": -0.0353635, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C", "InChI_key": "MNJVRJDLRVPLFE-UHFFFAOYSA-N" } }, "CID:123683": { "type": "Drug", "properties": { "id": "CID:123683", "label": "piclidenoson", "lsm": "LSM-1380", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123683", "FDA_Category_D_L1000_Similarity": -0.142349, "FDA_Category_D_Structural_Similarity": 0.464489, "FDA_Category_D_Weighted_Contribution": 0.251953, "FDA_Category_D_Top_Rank": -0.0722918, "FDA_Category_X_L1000_Similarity": 1.49061, "FDA_Category_X_Structural_Similarity": 0.122037, "FDA_Category_X_Weighted_Contribution": 0.783327, "FDA_Category_X_Top_Rank": -0.0476438, "FDA_Category_D_and_X_L1000_Similarity": 0.329961, "FDA_Category_D_and_X_Structural_Similarity": 0.434521, "FDA_Category_D_and_X_Weighted_Contribution": 0.460612, "FDA_Category_D_and_X_Top_Rank": -0.0758821, "Placenta_Crossing_L1000_Similarity": 2.10693, "Placenta_Crossing_Structural_Similarity": -0.312656, "Placenta_Crossing_Weighted_Contribution": 0.606054, "Placenta_Crossing_Top_Rank": 0.0757824, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O", "InChI_key": "HUJXGQILHAUCCV-MOROJQBDSA-N" } }, "CID:124846": { "type": "Drug", "properties": { "id": "CID:124846", "label": "htmt", "lsm": "LSM-1720", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/124846", "FDA_Category_D_L1000_Similarity": 0.30037, "FDA_Category_D_Structural_Similarity": -0.454353, "FDA_Category_D_Weighted_Contribution": -0.35816, "FDA_Category_D_Top_Rank": -0.0888471, "FDA_Category_X_L1000_Similarity": 1.3028, "FDA_Category_X_Structural_Similarity": -0.141225, "FDA_Category_X_Weighted_Contribution": 0.393136, "FDA_Category_X_Top_Rank": -0.0590582, "FDA_Category_D_and_X_L1000_Similarity": 0.65456, "FDA_Category_D_and_X_Structural_Similarity": -0.43683, "FDA_Category_D_and_X_Weighted_Contribution": -0.194994, "FDA_Category_D_and_X_Top_Rank": -0.0823368, "Placenta_Crossing_L1000_Similarity": 1.37416, "Placenta_Crossing_Structural_Similarity": 0.265358, "Placenta_Crossing_Weighted_Contribution": 0.82401, "Placenta_Crossing_Top_Rank": -0.0505767, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCCCC(=O)NC1=CC=C(C=C1)C(F)(F)F)NCCC2=CN=CN2", "InChI_key": "PMKJGGBYYNEYPA-UHFFFAOYSA-N" } }, "CID:12801781": { "type": "Drug", "properties": { "id": "CID:12801781", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID12801781", "label": "Imipenem", "FDA_Category_D_L1000_Similarity": 0.641996, "FDA_Category_D_Structural_Similarity": -0.252259, "FDA_Category_D_Weighted_Contribution": 0.00154832, "FDA_Category_D_Top_Rank": -0.081372, "FDA_Category_X_L1000_Similarity": -0.217406, "FDA_Category_X_Structural_Similarity": -0.332311, "FDA_Category_X_Weighted_Contribution": -0.514021, "FDA_Category_X_Top_Rank": -0.087053, "FDA_Category_D_and_X_L1000_Similarity": 0.487393, "FDA_Category_D_and_X_Structural_Similarity": -0.379535, "FDA_Category_D_and_X_Weighted_Contribution": -0.226656, "FDA_Category_D_and_X_Top_Rank": -0.0858776, "Placenta_Crossing_L1000_Similarity": 0.0920843, "Placenta_Crossing_Structural_Similarity": 1.16554, "Placenta_Crossing_Weighted_Contribution": 1.09244, "Placenta_Crossing_Top_Rank": -0.0418633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129010004": { "type": "Drug", "properties": { "id": "CID:129010004", "label": "tebipenem", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010004", "FDA_Category_D_L1000_Similarity": 1.00032, "FDA_Category_D_Structural_Similarity": -0.526725, "FDA_Category_D_Weighted_Contribution": -0.0589876, "FDA_Category_D_Top_Rank": -0.065328, "FDA_Category_X_L1000_Similarity": 0.755649, "FDA_Category_X_Structural_Similarity": -0.690311, "FDA_Category_X_Weighted_Contribution": -0.405111, "FDA_Category_X_Top_Rank": -0.0779716, "FDA_Category_D_and_X_L1000_Similarity": 1.09176, "FDA_Category_D_and_X_Structural_Similarity": -0.790557, "FDA_Category_D_and_X_Weighted_Contribution": -0.288472, "FDA_Category_D_and_X_Top_Rank": -0.0631969, "Placenta_Crossing_L1000_Similarity": 1.89622, "Placenta_Crossing_Structural_Similarity": 0.181452, "Placenta_Crossing_Weighted_Contribution": 1.01815, "Placenta_Crossing_Top_Rank": 0.0199005, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:132846": { "type": "Drug", "properties": { "id": "CID:132846", "label": "l-733060", "lsm": "LSM-2345", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/132846", "FDA_Category_D_L1000_Similarity": -1.72293, "FDA_Category_D_Structural_Similarity": -0.516081, "FDA_Category_D_Weighted_Contribution": -1.19461, "FDA_Category_D_Top_Rank": -0.0942795, "FDA_Category_X_L1000_Similarity": 2.95871, "FDA_Category_X_Structural_Similarity": -0.0977944, "FDA_Category_X_Weighted_Contribution": 1.36722, "FDA_Category_X_Top_Rank": 0.478548, "FDA_Category_D_and_X_L1000_Similarity": -0.586689, "FDA_Category_D_and_X_Structural_Similarity": -0.46239, "FDA_Category_D_and_X_Weighted_Contribution": -0.757019, "FDA_Category_D_and_X_Top_Rank": -0.0936302, "Placenta_Crossing_L1000_Similarity": -0.923257, "Placenta_Crossing_Structural_Similarity": 0.0461793, "Placenta_Crossing_Weighted_Contribution": -0.491092, "Placenta_Crossing_Top_Rank": -0.0812877, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C(NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F", "InChI_key": "FCDRFVCGMLUYPG-ROUUACIJSA-N" } }, "CID:135411": { "type": "Drug", "properties": { "id": "CID:135411", "label": "cd-437", "lsm": "LSM-6237", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135411", "FDA_Category_D_L1000_Similarity": 0.49583, "FDA_Category_D_Structural_Similarity": 0.156646, "FDA_Category_D_Weighted_Contribution": 0.318208, "FDA_Category_D_Top_Rank": -0.0810795, "FDA_Category_X_L1000_Similarity": -2.88608, "FDA_Category_X_Structural_Similarity": 0.328997, "FDA_Category_X_Weighted_Contribution": -1.00506, "FDA_Category_X_Top_Rank": -0.0685091, "FDA_Category_D_and_X_L1000_Similarity": -0.44904, "FDA_Category_D_and_X_Structural_Similarity": 0.301857, "FDA_Category_D_and_X_Weighted_Contribution": -0.0882928, "FDA_Category_D_and_X_Top_Rank": -0.0793654, "Placenta_Crossing_L1000_Similarity": -2.18656, "Placenta_Crossing_Structural_Similarity": 0.346103, "Placenta_Crossing_Weighted_Contribution": -0.743924, "Placenta_Crossing_Top_Rank": -0.0739351, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O", "InChI_key": "LDGIHZJOIQSHPB-UHFFFAOYSA-N" } }, "CID:1359": { "type": "Drug", "properties": { "id": "CID:1359", "label": "TRIM", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1359", "FDA_Category_D_L1000_Similarity": 0.393011, "FDA_Category_D_Structural_Similarity": -0.706706, "FDA_Category_D_Weighted_Contribution": -0.519703, "FDA_Category_D_Top_Rank": -0.0873124, "FDA_Category_X_L1000_Similarity": 0.228801, "FDA_Category_X_Structural_Similarity": -0.734605, "FDA_Category_X_Weighted_Contribution": -0.657287, "FDA_Category_X_Top_Rank": -0.0856616, "FDA_Category_D_and_X_L1000_Similarity": 0.40827, "FDA_Category_D_and_X_Structural_Similarity": -0.957312, "FDA_Category_D_and_X_Weighted_Contribution": -0.713679, "FDA_Category_D_and_X_Top_Rank": -0.0873249, "Placenta_Crossing_L1000_Similarity": 0.205006, "Placenta_Crossing_Structural_Similarity": -0.897591, "Placenta_Crossing_Weighted_Contribution": -0.764931, "Placenta_Crossing_Top_Rank": -0.0865624, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1548953": { "type": "Drug", "properties": { "id": "CID:1548953", "label": "enclomiphene", "lsm": "LSM-2072", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1548953", "IDG_ID": "700", "FDA_Category_D_L1000_Similarity": -0.528783, "FDA_Category_D_Structural_Similarity": 0.293371, "FDA_Category_D_Weighted_Contribution": -0.128261, "FDA_Category_D_Top_Rank": -0.0773348, "FDA_Category_X_L1000_Similarity": 3.34624, "FDA_Category_X_Structural_Similarity": -0.0954541, "FDA_Category_X_Weighted_Contribution": 1.59052, "FDA_Category_X_Top_Rank": 1.25684, "FDA_Category_D_and_X_L1000_Similarity": 0.56036, "FDA_Category_D_and_X_Structural_Similarity": 0.181345, "FDA_Category_D_and_X_Weighted_Contribution": 0.335745, "FDA_Category_D_and_X_Top_Rank": -0.0819876, "Placenta_Crossing_L1000_Similarity": 0.24561, "Placenta_Crossing_Structural_Similarity": -0.468245, "Placenta_Crossing_Weighted_Contribution": -0.428324, "Placenta_Crossing_Top_Rank": -0.0862395, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3", "InChI_key": "GKIRPKYJQBWNGO-OCEACIFDSA-N" } }, "CID:1549000": { "type": "Drug", "properties": { "id": "CID:1549000", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1549000", "label": "levocetirizine", "ref": "LSM-5412", "FDA_Category_D_L1000_Similarity": -0.481254, "FDA_Category_D_Structural_Similarity": -0.699445, "FDA_Category_D_Weighted_Contribution": -0.881975, "FDA_Category_D_Top_Rank": -0.0950619, "FDA_Category_X_L1000_Similarity": -0.0949394, "FDA_Category_X_Structural_Similarity": -0.457131, "FDA_Category_X_Weighted_Contribution": -0.565937, "FDA_Category_X_Top_Rank": -0.0881987, "FDA_Category_D_and_X_L1000_Similarity": -0.443674, "FDA_Category_D_and_X_Structural_Similarity": -0.801825, "FDA_Category_D_and_X_Weighted_Contribution": -0.92454, "FDA_Category_D_and_X_Top_Rank": -0.0948533, "Placenta_Crossing_L1000_Similarity": 1.20148, "Placenta_Crossing_Structural_Similarity": -0.754728, "Placenta_Crossing_Weighted_Contribution": -0.262405, "Placenta_Crossing_Top_Rank": -0.061715, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "InChI_key": "ZKLPARSLTMPFCP-OAQYLSRUSA-N" } }, "CID:155815": { "type": "Drug", "properties": { "id": "CID:155815", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID155815", "label": "varespladib", "FDA_Category_D_L1000_Similarity": 0.951389, "FDA_Category_D_Structural_Similarity": -0.615355, "FDA_Category_D_Weighted_Contribution": -0.166243, "FDA_Category_D_Top_Rank": -0.0684973, "FDA_Category_X_L1000_Similarity": 1.01093, "FDA_Category_X_Structural_Similarity": -0.41759, "FDA_Category_X_Weighted_Contribution": -0.0374614, "FDA_Category_X_Top_Rank": -0.071067, "FDA_Category_D_and_X_L1000_Similarity": 1.12711, "FDA_Category_D_and_X_Structural_Similarity": -0.713746, "FDA_Category_D_and_X_Weighted_Contribution": -0.205483, "FDA_Category_D_and_X_Top_Rank": -0.0607304, "Placenta_Crossing_L1000_Similarity": 0.665867, "Placenta_Crossing_Structural_Similarity": -0.908648, "Placenta_Crossing_Weighted_Contribution": -0.605265, "Placenta_Crossing_Top_Rank": -0.0797185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)N", "InChI_key": "BHLXTPHDSZUFHR-UHFFFAOYSA-N" } }, "CID:159269": { "type": "Drug", "properties": { "id": "CID:159269", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID159269", "label": "telbivudine", "FDA_Category_D_L1000_Similarity": 1.26444, "FDA_Category_D_Structural_Similarity": 3.17239, "FDA_Category_D_Weighted_Contribution": 3.53515, "FDA_Category_D_Top_Rank": 0.267344, "FDA_Category_X_L1000_Similarity": 1.49571, "FDA_Category_X_Structural_Similarity": -0.639628, "FDA_Category_X_Weighted_Contribution": -0.0174597, "FDA_Category_X_Top_Rank": -0.0472672, "FDA_Category_D_and_X_L1000_Similarity": 1.54419, "FDA_Category_D_and_X_Structural_Similarity": 2.17283, "FDA_Category_D_and_X_Weighted_Contribution": 2.86008, "FDA_Category_D_and_X_Top_Rank": 0.0573433, "Placenta_Crossing_L1000_Similarity": 2.11754, "Placenta_Crossing_Structural_Similarity": 4.63702, "Placenta_Crossing_Weighted_Contribution": 4.12577, "Placenta_Crossing_Top_Rank": 0.734716, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O", "InChI_key": "IQFYYKKMVGJFEH-CSMHCCOUSA-N" } }, "CID:16659841": { "type": "Drug", "properties": { "id": "CID:16659841", "label": "azd-1480", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16659841", "FDA_Category_D_L1000_Similarity": 2.3775, "FDA_Category_D_Structural_Similarity": 1.23792, "FDA_Category_D_Weighted_Contribution": 2.59628, "FDA_Category_D_Top_Rank": 0.614664, "FDA_Category_X_L1000_Similarity": 2.17223, "FDA_Category_X_Structural_Similarity": -0.230737, "FDA_Category_X_Weighted_Contribution": 0.770285, "FDA_Category_X_Top_Rank": 0.0450252, "FDA_Category_D_and_X_L1000_Similarity": 2.70911, "FDA_Category_D_and_X_Structural_Similarity": 0.858048, "FDA_Category_D_and_X_Weighted_Contribution": 2.28513, "FDA_Category_D_and_X_Top_Rank": 0.904296, "Placenta_Crossing_L1000_Similarity": 2.3298, "Placenta_Crossing_Structural_Similarity": -0.499889, "Placenta_Crossing_Weighted_Contribution": 0.528912, "Placenta_Crossing_Top_Rank": 0.171066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F", "InChI_key": "PDOQBOJDRPLBQU-QMMMGPOBSA-N" } }, "CID:167551": { "type": "Drug", "properties": { "id": "CID:167551", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID167551", "label": "Anacardic-acid", "FDA_Category_D_L1000_Similarity": 1.64797, "FDA_Category_D_Structural_Similarity": -0.846544, "FDA_Category_D_Weighted_Contribution": -0.00336046, "FDA_Category_D_Top_Rank": 0.0267861, "FDA_Category_X_L1000_Similarity": 3.26599, "FDA_Category_X_Structural_Similarity": -0.566563, "FDA_Category_X_Weighted_Contribution": 1.0083, "FDA_Category_X_Top_Rank": 1.03104, "FDA_Category_D_and_X_L1000_Similarity": 2.4124, "FDA_Category_D_and_X_Structural_Similarity": -0.977628, "FDA_Category_D_and_X_Weighted_Contribution": 0.216727, "FDA_Category_D_and_X_Top_Rank": 0.379464, "Placenta_Crossing_L1000_Similarity": 1.56802, "Placenta_Crossing_Structural_Similarity": -0.801173, "Placenta_Crossing_Weighted_Contribution": -0.139655, "Placenta_Crossing_Top_Rank": -0.0322116, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16760692": { "type": "Drug", "properties": { "id": "CID:16760692", "label": "u-0124", "lsm": "LSM-3065", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760692", "FDA_Category_D_L1000_Similarity": 2.04032, "FDA_Category_D_Structural_Similarity": 1.19069, "FDA_Category_D_Weighted_Contribution": 2.3675, "FDA_Category_D_Top_Rank": 0.225003, "FDA_Category_X_L1000_Similarity": 0.581379, "FDA_Category_X_Structural_Similarity": -0.726111, "FDA_Category_X_Weighted_Contribution": -0.509128, "FDA_Category_X_Top_Rank": -0.0812714, "FDA_Category_D_and_X_L1000_Similarity": 1.93534, "FDA_Category_D_and_X_Structural_Similarity": 0.553263, "FDA_Category_D_and_X_Weighted_Contribution": 1.53787, "FDA_Category_D_and_X_Top_Rank": 0.0699037, "Placenta_Crossing_L1000_Similarity": 0.955929, "Placenta_Crossing_Structural_Similarity": 3.11499, "Placenta_Crossing_Weighted_Contribution": 3.28851, "Placenta_Crossing_Top_Rank": 0.229842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CSC(=C(C#N)C(=C(N)SC)[N+]#[C-])N", "InChI_key": "QRTOSWGHCGATQF-YMBWGVAGSA-N" } }, "CID:18381": { "type": "Drug", "properties": { "id": "CID:18381", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID18381", "label": "dicloxacillin", "FDA_Category_D_L1000_Similarity": 1.587, "FDA_Category_D_Structural_Similarity": -0.269249, "FDA_Category_D_Weighted_Contribution": 0.537775, "FDA_Category_D_Top_Rank": 0.0112581, "FDA_Category_X_L1000_Similarity": 1.636, "FDA_Category_X_Structural_Similarity": -0.00790187, "FDA_Category_X_Weighted_Contribution": 0.719663, "FDA_Category_X_Top_Rank": -0.0368655, "FDA_Category_D_and_X_L1000_Similarity": 1.86484, "FDA_Category_D_and_X_Structural_Similarity": -0.21797, "FDA_Category_D_and_X_Weighted_Contribution": 0.67501, "FDA_Category_D_and_X_Top_Rank": 0.0496653, "Placenta_Crossing_L1000_Similarity": 2.46952, "Placenta_Crossing_Structural_Similarity": 5.68388, "Placenta_Crossing_Weighted_Contribution": 4.30686, "Placenta_Crossing_Top_Rank": 1.56776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O", "InChI_key": "YFAGHNZHGGCZAX-JKIFEVAISA-N" } }, "CID:1853": { "type": "Drug", "properties": { "id": "CID:1853", "label": "phenanthridone", "lsm": "LSM-2229", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1853", "FDA_Category_D_L1000_Similarity": 0.958552, "FDA_Category_D_Structural_Similarity": 0.0961282, "FDA_Category_D_Weighted_Contribution": 0.535022, "FDA_Category_D_Top_Rank": -0.0678591, "FDA_Category_X_L1000_Similarity": 1.6282, "FDA_Category_X_Structural_Similarity": -0.0258523, "FDA_Category_X_Weighted_Contribution": 0.69544, "FDA_Category_X_Top_Rank": -0.037276, "FDA_Category_D_and_X_L1000_Similarity": 1.32074, "FDA_Category_D_and_X_Structural_Similarity": 0.0623484, "FDA_Category_D_and_X_Weighted_Contribution": 0.649267, "FDA_Category_D_and_X_Top_Rank": -0.0447503, "Placenta_Crossing_L1000_Similarity": 1.87523, "Placenta_Crossing_Structural_Similarity": 0.118606, "Placenta_Crossing_Weighted_Contribution": 0.939052, "Placenta_Crossing_Top_Rank": 0.0161512, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O", "InChI_key": "RZFVLEJOHSLEFR-UHFFFAOYSA-N" } }, "CID:19582717": { "type": "Drug", "properties": { "id": "CID:19582717", "label": "chembl-1222381", "lsm": "LSM-6252", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19582717", "FDA_Category_D_L1000_Similarity": -0.615416, "FDA_Category_D_Structural_Similarity": -0.463774, "FDA_Category_D_Weighted_Contribution": -0.776821, "FDA_Category_D_Top_Rank": -0.093704, "FDA_Category_X_L1000_Similarity": -0.363977, "FDA_Category_X_Structural_Similarity": -0.588333, "FDA_Category_X_Weighted_Contribution": -0.770406, "FDA_Category_X_Top_Rank": -0.0895385, "FDA_Category_D_and_X_L1000_Similarity": -0.641027, "FDA_Category_D_and_X_Structural_Similarity": -0.685566, "FDA_Category_D_and_X_Weighted_Contribution": -0.921095, "FDA_Category_D_and_X_Top_Rank": -0.0953442, "Placenta_Crossing_L1000_Similarity": -1.02989, "Placenta_Crossing_Structural_Similarity": -0.605272, "Placenta_Crossing_Weighted_Contribution": -0.978938, "Placenta_Crossing_Top_Rank": -0.0906072, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3", "InChI_key": "SYENTKHGMVKGAQ-UHFFFAOYSA-N" } }, "CID:20345": { "type": "Drug", "properties": { "id": "CID:20345", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID20345", "label": "kinetin-riboside", "FDA_Category_D_L1000_Similarity": -0.937499, "FDA_Category_D_Structural_Similarity": 1.23308, "FDA_Category_D_Weighted_Contribution": 0.562981, "FDA_Category_D_Top_Rank": -0.0385381, "FDA_Category_X_L1000_Similarity": 0.497108, "FDA_Category_X_Structural_Similarity": -0.381795, "FDA_Category_X_Weighted_Contribution": -0.245997, "FDA_Category_X_Top_Rank": -0.0825527, "FDA_Category_D_and_X_L1000_Similarity": -0.657187, "FDA_Category_D_and_X_Structural_Similarity": 0.772699, "FDA_Category_D_and_X_Weighted_Contribution": 0.245659, "FDA_Category_D_and_X_Top_Rank": -0.0644035, "Placenta_Crossing_L1000_Similarity": -0.749505, "Placenta_Crossing_Structural_Similarity": 1.13505, "Placenta_Crossing_Weighted_Contribution": 0.604611, "Placenta_Crossing_Top_Rank": -0.0435206, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O", "InChI_key": "CAGLGYNQQSIUGX-SDBHATRESA-N" } }, "CID:20555075": { "type": "Drug", "properties": { "id": "CID:20555075", "label": "cgp-12177", "lsm": "LSM-1474", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20555075", "FDA_Category_D_L1000_Similarity": 0.674242, "FDA_Category_D_Structural_Similarity": -0.484355, "FDA_Category_D_Weighted_Contribution": -0.19428, "FDA_Category_D_Top_Rank": -0.0804703, "FDA_Category_X_L1000_Similarity": 3.12024, "FDA_Category_X_Structural_Similarity": -0.126611, "FDA_Category_X_Weighted_Contribution": 1.42654, "FDA_Category_X_Top_Rank": 0.762227, "FDA_Category_D_and_X_L1000_Similarity": 1.52878, "FDA_Category_D_and_X_Structural_Similarity": -0.452758, "FDA_Category_D_and_X_Weighted_Contribution": 0.245583, "FDA_Category_D_and_X_Top_Rank": -0.0192207, "Placenta_Crossing_L1000_Similarity": 1.35063, "Placenta_Crossing_Structural_Similarity": -0.105519, "Placenta_Crossing_Weighted_Contribution": 0.423739, "Placenta_Crossing_Top_Rank": -0.0523212, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(COC1=CC=CC2=NC(=O)N=C21)O", "InChI_key": "ANAWRRAUQXSHKD-UHFFFAOYSA-N" } }, "CID:2063": { "type": "Drug", "properties": { "id": "CID:2063", "label": "tyrphostin-1", "lsm": "LSM-2933", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2063", "FDA_Category_D_L1000_Similarity": 1.01459, "FDA_Category_D_Structural_Similarity": -0.86028, "FDA_Category_D_Weighted_Contribution": -0.347771, "FDA_Category_D_Top_Rank": -0.0645145, "FDA_Category_X_L1000_Similarity": 1.35707, "FDA_Category_X_Structural_Similarity": -0.594456, "FDA_Category_X_Weighted_Contribution": -0.0410068, "FDA_Category_X_Top_Rank": -0.0556238, "FDA_Category_D_and_X_L1000_Similarity": 1.28671, "FDA_Category_D_and_X_Structural_Similarity": -1.00358, "FDA_Category_D_and_X_Weighted_Contribution": -0.374895, "FDA_Category_D_and_X_Top_Rank": -0.0478862, "Placenta_Crossing_L1000_Similarity": 1.65857, "Placenta_Crossing_Structural_Similarity": -1.08777, "Placenta_Crossing_Weighted_Contribution": -0.348283, "Placenta_Crossing_Top_Rank": -0.0211925, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C=C(C#N)C#N", "InChI_key": "UOHFCPXBKJPCAD-UHFFFAOYSA-N" } }, "CID:2343": { "type": "Drug", "properties": { "id": "CID:2343", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2343", "label": "benzthiazide", "FDA_Category_D_L1000_Similarity": 2.65901, "FDA_Category_D_Structural_Similarity": -0.228967, "FDA_Category_D_Weighted_Contribution": 1.25904, "FDA_Category_D_Top_Rank": 1.33246, "FDA_Category_X_L1000_Similarity": 1.9547, "FDA_Category_X_Structural_Similarity": 2.55538, "FDA_Category_X_Weighted_Contribution": 3.44625, "FDA_Category_X_Top_Rank": 0.118806, "FDA_Category_D_and_X_L1000_Similarity": 2.88572, "FDA_Category_D_and_X_Structural_Similarity": 1.19714, "FDA_Category_D_and_X_Weighted_Contribution": 2.67809, "FDA_Category_D_and_X_Top_Rank": 1.36922, "Placenta_Crossing_L1000_Similarity": 2.72904, "Placenta_Crossing_Structural_Similarity": -0.2787, "Placenta_Crossing_Weighted_Contribution": 0.97759, "Placenta_Crossing_Top_Rank": 0.490236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N", "InChI_key": "NDTSRXAMMQDVSW-UHFFFAOYSA-N" } }, "CID:23649154": { "type": "Drug", "properties": { "id": "CID:23649154", "label": "tegobuvir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23649154", "FDA_Category_D_L1000_Similarity": 0.339182, "FDA_Category_D_Structural_Similarity": 0.91008, "FDA_Category_D_Weighted_Contribution": 1.01906, "FDA_Category_D_Top_Rank": -0.0548358, "FDA_Category_X_L1000_Similarity": -0.235588, "FDA_Category_X_Structural_Similarity": 0.67574, "FDA_Category_X_Weighted_Contribution": 0.443477, "FDA_Category_X_Top_Rank": -0.0548491, "FDA_Category_D_and_X_L1000_Similarity": 0.220842, "FDA_Category_D_and_X_Structural_Similarity": 1.08697, "FDA_Category_D_and_X_Weighted_Contribution": 1.08137, "FDA_Category_D_and_X_Top_Rank": -0.0472971, "Placenta_Crossing_L1000_Similarity": -0.750919, "Placenta_Crossing_Structural_Similarity": 2.21713, "Placenta_Crossing_Weighted_Contribution": 1.76154, "Placenta_Crossing_Top_Rank": 0.0529246, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)F", "InChI_key": "XBEQSQDCBSKCHJ-UHFFFAOYSA-N" } }, "CID:23727689": { "type": "Drug", "properties": { "id": "CID:23727689", "label": "almorexant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23727689", "FDA_Category_D_L1000_Similarity": 2.25876, "FDA_Category_D_Structural_Similarity": -0.738267, "FDA_Category_D_Weighted_Contribution": 0.458975, "FDA_Category_D_Top_Rank": 0.405042, "FDA_Category_X_L1000_Similarity": 2.42058, "FDA_Category_X_Structural_Similarity": 0.142006, "FDA_Category_X_Weighted_Contribution": 1.33358, "FDA_Category_X_Top_Rank": 0.125051, "FDA_Category_D_and_X_L1000_Similarity": 2.68216, "FDA_Category_D_and_X_Structural_Similarity": -0.509346, "FDA_Category_D_and_X_Weighted_Contribution": 0.850538, "FDA_Category_D_and_X_Top_Rank": 0.794118, "Placenta_Crossing_L1000_Similarity": 1.24595, "Placenta_Crossing_Structural_Similarity": -0.39619, "Placenta_Crossing_Weighted_Contribution": 0.0840656, "Placenta_Crossing_Top_Rank": -0.0593147, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC", "InChI_key": "DKMACHNQISHMDN-RPLLCQBOSA-N" } }, "CID:2377": { "type": "Drug", "properties": { "id": "CID:2377", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2377", "label": "bifemelane", "FDA_Category_D_L1000_Similarity": -0.159302, "FDA_Category_D_Structural_Similarity": -0.71441, "FDA_Category_D_Weighted_Contribution": -0.765409, "FDA_Category_D_Top_Rank": -0.0934333, "FDA_Category_X_L1000_Similarity": 2.50478, "FDA_Category_X_Structural_Similarity": -0.367991, "FDA_Category_X_Weighted_Contribution": 0.802844, "FDA_Category_X_Top_Rank": 0.154094, "FDA_Category_D_and_X_L1000_Similarity": 0.623339, "FDA_Category_D_and_X_Structural_Similarity": -0.765603, "FDA_Category_D_and_X_Weighted_Contribution": -0.482226, "FDA_Category_D_and_X_Top_Rank": -0.0829947, "Placenta_Crossing_L1000_Similarity": 1.33111, "Placenta_Crossing_Structural_Similarity": 0.382288, "Placenta_Crossing_Weighted_Contribution": 0.925787, "Placenta_Crossing_Top_Rank": -0.0536497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2", "InChI_key": "QSQQPMHPCBLLGX-UHFFFAOYSA-N" } }, "CID:23986045": { "type": "Drug", "properties": { "id": "CID:23986045", "label": "karakoline", "lsm": "LSM-1556", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23986045", "FDA_Category_D_L1000_Similarity": 1.13041, "FDA_Category_D_Structural_Similarity": 0.201178, "FDA_Category_D_Weighted_Contribution": 0.75316, "FDA_Category_D_Top_Rank": -0.0553582, "FDA_Category_X_L1000_Similarity": -0.267611, "FDA_Category_X_Structural_Similarity": -0.530051, "FDA_Category_X_Weighted_Contribution": -0.690961, "FDA_Category_X_Top_Rank": -0.0891193, "FDA_Category_D_and_X_L1000_Similarity": 0.893169, "FDA_Category_D_and_X_Structural_Similarity": -0.126335, "FDA_Category_D_and_X_Weighted_Contribution": 0.216396, "FDA_Category_D_and_X_Top_Rank": -0.0744198, "Placenta_Crossing_L1000_Similarity": 1.39416, "Placenta_Crossing_Structural_Similarity": -0.70596, "Placenta_Crossing_Weighted_Contribution": -0.133354, "Placenta_Crossing_Top_Rank": -0.0490111, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)C", "InChI_key": "HKQZUYOVMYOFIT-VEUUHKJVSA-N" } }, "CID:243": { "type": "Drug", "properties": { "id": "CID:243", "label": "benzoic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/243", "FDA_Category_D_L1000_Similarity": 1.76886, "FDA_Category_D_Structural_Similarity": 0.00481435, "FDA_Category_D_Weighted_Contribution": 0.944937, "FDA_Category_D_Top_Rank": 0.0633137, "FDA_Category_X_L1000_Similarity": 3.42612, "FDA_Category_X_Structural_Similarity": 0.974843, "FDA_Category_X_Weighted_Contribution": 2.75839, "FDA_Category_X_Top_Rank": 1.49592, "FDA_Category_D_and_X_L1000_Similarity": 2.56523, "FDA_Category_D_and_X_Structural_Similarity": 0.529842, "FDA_Category_D_and_X_Weighted_Contribution": 1.88151, "FDA_Category_D_and_X_Top_Rank": 0.605825, "Placenta_Crossing_L1000_Similarity": 2.64008, "Placenta_Crossing_Structural_Similarity": 1.03112, "Placenta_Crossing_Weighted_Contribution": 2.30027, "Placenta_Crossing_Top_Rank": 0.412502, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(=O)O", "InChI_key": "WPYMKLBDIGXBTP-UHFFFAOYSA-N" } }, "CID:24747193": { "type": "Drug", "properties": { "id": "CID:24747193", "label": "jas07-005", "lsm": "LSM-2986", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747193", "FDA_Category_D_L1000_Similarity": -0.601711, "FDA_Category_X_L1000_Similarity": -0.305031, "FDA_Category_D_and_X_L1000_Similarity": -0.61132, "Placenta_Crossing_L1000_Similarity": -1.05952, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CC=C4OC)C5=CC=CC=C5N2)C", "InChI_key": "WHJOFSJBUCQZAT-SFHVURJKSA-N" } }, "CID:24748573": { "type": "Drug", "properties": { "id": "CID:24748573", "label": "silmitasertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24748573", "FDA_Category_D_L1000_Similarity": -0.757392, "FDA_Category_D_Structural_Similarity": 0.839389, "FDA_Category_D_Weighted_Contribution": 0.266709, "FDA_Category_D_Top_Rank": -0.0589596, "FDA_Category_X_L1000_Similarity": -2.03403, "FDA_Category_X_Structural_Similarity": 1.49987, "FDA_Category_X_Weighted_Contribution": 0.362718, "FDA_Category_X_Top_Rank": -0.00897621, "FDA_Category_D_and_X_L1000_Similarity": -1.27058, "FDA_Category_D_and_X_Structural_Similarity": 1.47556, "FDA_Category_D_and_X_Weighted_Contribution": 0.608329, "FDA_Category_D_and_X_Top_Rank": -0.0174718, "Placenta_Crossing_L1000_Similarity": -0.546581, "Placenta_Crossing_Structural_Similarity": 0.494462, "Placenta_Crossing_Weighted_Contribution": 0.066262, "Placenta_Crossing_Top_Rank": -0.0696309, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4", "InChI_key": "MUOKSQABCJCOPU-UHFFFAOYSA-N" } }, "CID:24771867": { "type": "Drug", "properties": { "id": "CID:24771867", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24771867", "label": "alisertib", "FDA_Category_D_L1000_Similarity": -2.05048, "FDA_Category_D_Structural_Similarity": 2.5068, "FDA_Category_D_Weighted_Contribution": 1.23491, "FDA_Category_D_Top_Rank": 0.132211, "FDA_Category_X_L1000_Similarity": -1.05396, "FDA_Category_X_Structural_Similarity": 0.991592, "FDA_Category_X_Weighted_Contribution": 0.343871, "FDA_Category_X_Top_Rank": -0.0412158, "FDA_Category_D_and_X_L1000_Similarity": -2.08762, "FDA_Category_D_and_X_Structural_Similarity": 2.52474, "FDA_Category_D_and_X_Weighted_Contribution": 1.23532, "FDA_Category_D_and_X_Top_Rank": 0.110408, "Placenta_Crossing_L1000_Similarity": -2.86334, "Placenta_Crossing_Structural_Similarity": 2.43014, "Placenta_Crossing_Weighted_Contribution": 0.840093, "Placenta_Crossing_Top_Rank": 0.0797915, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC", "InChI_key": "ZLHFILGSQDJULK-UHFFFAOYSA-N" } }, "CID:2478": { "type": "Drug", "properties": { "id": "CID:2478", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2478", "label": "busulfan", "ref": "LSM-5388", "FDA_Category_D_L1000_Similarity": 2.03437, "FDA_Category_D_Structural_Similarity": 1.8857, "FDA_Category_D_Weighted_Contribution": 2.97474, "FDA_Category_D_Top_Rank": 0.221296, "FDA_Category_X_L1000_Similarity": 0.764934, "FDA_Category_X_Structural_Similarity": -0.762006, "FDA_Category_X_Weighted_Contribution": -0.462346, "FDA_Category_X_Top_Rank": -0.077838, "FDA_Category_D_and_X_L1000_Similarity": 1.98596, "FDA_Category_D_and_X_Structural_Similarity": 1.08553, "FDA_Category_D_and_X_Weighted_Contribution": 2.11329, "FDA_Category_D_and_X_Top_Rank": 0.0896359, "Placenta_Crossing_L1000_Similarity": 2.13912, "Placenta_Crossing_Structural_Similarity": 0.309208, "Placenta_Crossing_Weighted_Contribution": 1.28934, "Placenta_Crossing_Top_Rank": 0.0871114, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)OCCCCOS(=O)(=O)C", "InChI_key": "COVZYZSDYWQREU-UHFFFAOYSA-N" } }, "CID:24880028": { "type": "Drug", "properties": { "id": "CID:24880028", "label": "alw-ii-38-3", "lsm": "LSM-1002", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24880028", "FDA_Category_D_L1000_Similarity": 2.10773, "FDA_Category_D_Structural_Similarity": -0.553279, "FDA_Category_D_Weighted_Contribution": 0.559702, "FDA_Category_D_Top_Rank": 0.298432, "FDA_Category_X_L1000_Similarity": 2.0571, "FDA_Category_X_Structural_Similarity": -0.133162, "FDA_Category_X_Weighted_Contribution": 0.814938, "FDA_Category_X_Top_Rank": 0.0206205, "FDA_Category_D_and_X_L1000_Similarity": 2.4416, "FDA_Category_D_and_X_Structural_Similarity": -0.510999, "FDA_Category_D_and_X_Weighted_Contribution": 0.706681, "FDA_Category_D_and_X_Top_Rank": 0.418942, "Placenta_Crossing_L1000_Similarity": 2.25532, "Placenta_Crossing_Structural_Similarity": -0.534482, "Placenta_Crossing_Weighted_Contribution": 0.454385, "Placenta_Crossing_Top_Rank": 0.135069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)C4=CC=NO4", "InChI_key": "IYUFHBXMTTXZBE-UHFFFAOYSA-N" } }, "CID:25031915": { "type": "Drug", "properties": { "id": "CID:25031915", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25031915", "label": "lucitanib", "FDA_Category_D_L1000_Similarity": -1.02873, "FDA_Category_D_Structural_Similarity": 1.90295, "FDA_Category_D_Weighted_Contribution": 1.22886, "FDA_Category_D_Top_Rank": 0.0332666, "FDA_Category_X_L1000_Similarity": 0.212145, "FDA_Category_X_Structural_Similarity": 0.674714, "FDA_Category_X_Weighted_Contribution": 0.686546, "FDA_Category_X_Top_Rank": -0.0548834, "FDA_Category_D_and_X_L1000_Similarity": -0.822355, "FDA_Category_D_and_X_Structural_Similarity": 1.87447, "FDA_Category_D_and_X_Weighted_Contribution": 1.29849, "FDA_Category_D_and_X_Top_Rank": 0.0223245, "Placenta_Crossing_L1000_Similarity": 0.253746, "Placenta_Crossing_Structural_Similarity": 0.953864, "Placenta_Crossing_Weighted_Contribution": 0.952667, "Placenta_Crossing_Top_Rank": -0.0523212, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC", "InChI_key": "CUDVHEFYRIWYQD-UHFFFAOYSA-N" } }, "CID:260972": { "type": "Drug", "properties": { "id": "CID:260972", "label": "emf-sumo1-8", "lsm": "LSM-6588", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/260972", "FDA_Category_D_L1000_Similarity": 2.08784, "FDA_Category_D_Structural_Similarity": 0.109565, "FDA_Category_D_Weighted_Contribution": 1.26349, "FDA_Category_D_Top_Rank": 0.267344, "FDA_Category_X_L1000_Similarity": 0.414317, "FDA_Category_X_Structural_Similarity": 0.0109626, "FDA_Category_X_Weighted_Contribution": 0.0907982, "FDA_Category_X_Top_Rank": -0.0795349, "FDA_Category_D_and_X_L1000_Similarity": 1.92557, "FDA_Category_D_and_X_Structural_Similarity": 0.0928788, "FDA_Category_D_and_X_Weighted_Contribution": 1.04021, "FDA_Category_D_and_X_Top_Rank": 0.0653391, "Placenta_Crossing_L1000_Similarity": 1.91596, "Placenta_Crossing_Structural_Similarity": -0.0523302, "Placenta_Crossing_Weighted_Contribution": 0.778402, "Placenta_Crossing_Top_Rank": 0.0239036, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCCC2", "InChI_key": "YXSWGHDOGYIRBI-UHFFFAOYSA-N" } }, "CID:2630179": { "type": "Drug", "properties": { "id": "CID:2630179", "label": "emf-sumo1-12", "lsm": "LSM-6523", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2630179", "FDA_Category_D_L1000_Similarity": 1.94148, "FDA_Category_D_Structural_Similarity": -0.532479, "FDA_Category_D_Weighted_Contribution": 0.479722, "FDA_Category_D_Top_Rank": 0.152085, "FDA_Category_X_L1000_Similarity": 0.978825, "FDA_Category_X_Structural_Similarity": -0.739089, "FDA_Category_X_Weighted_Contribution": -0.350261, "FDA_Category_X_Top_Rank": -0.0720197, "FDA_Category_D_and_X_L1000_Similarity": 1.97084, "FDA_Category_D_and_X_Structural_Similarity": -0.821445, "FDA_Category_D_and_X_Weighted_Contribution": 0.12859, "FDA_Category_D_and_X_Top_Rank": 0.085833, "Placenta_Crossing_L1000_Similarity": 2.9091, "Placenta_Crossing_Structural_Similarity": -0.425959, "Placenta_Crossing_Weighted_Contribution": 0.917497, "Placenta_Crossing_Top_Rank": 0.747732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]", "InChI_key": "NENLILZNTFFZKS-UHFFFAOYSA-N" } }, "CID:26987": { "type": "Drug", "properties": { "id": "CID:26987", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26987", "label": "clemastine", "FDA_Category_D_L1000_Similarity": -2.2349, "FDA_Category_D_Structural_Similarity": -0.496239, "FDA_Category_D_Weighted_Contribution": -1.32659, "FDA_Category_D_Top_Rank": -0.0940614, "FDA_Category_X_L1000_Similarity": 1.0494, "FDA_Category_X_Structural_Similarity": -0.408069, "FDA_Category_X_Weighted_Contribution": -0.00943045, "FDA_Category_X_Top_Rank": -0.0699116, "FDA_Category_D_and_X_L1000_Similarity": -1.60783, "FDA_Category_D_and_X_Structural_Similarity": -0.614064, "FDA_Category_D_and_X_Weighted_Contribution": -1.18071, "FDA_Category_D_and_X_Top_Rank": -0.0948836, "Placenta_Crossing_L1000_Similarity": -2.44339, "Placenta_Crossing_Structural_Similarity": -0.370086, "Placenta_Crossing_Weighted_Contribution": -1.23608, "Placenta_Crossing_Top_Rank": -0.0883687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C", "InChI_key": "YNNUSGIPVFPVBX-NHCUHLMSSA-N" } }, "CID:2712": { "type": "Drug", "properties": { "id": "CID:2712", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2712", "label": "chlordiazepoxide", "FDA_Category_D_L1000_Similarity": -0.410397, "FDA_Category_D_Structural_Similarity": -0.736198, "FDA_Category_D_Weighted_Contribution": -0.878903, "FDA_Category_D_Top_Rank": -0.0947535, "FDA_Category_X_L1000_Similarity": 1.08254, "FDA_Category_X_Structural_Similarity": -0.598102, "FDA_Category_X_Weighted_Contribution": -0.175235, "FDA_Category_X_Top_Rank": -0.0687157, "FDA_Category_D_and_X_L1000_Similarity": -0.0250137, "FDA_Category_D_and_X_Structural_Similarity": -0.907063, "FDA_Category_D_and_X_Weighted_Contribution": -0.84317, "FDA_Category_D_and_X_Top_Rank": -0.0924061, "Placenta_Crossing_L1000_Similarity": 0.85647, "Placenta_Crossing_Structural_Similarity": -0.625784, "Placenta_Crossing_Weighted_Contribution": -0.301858, "Placenta_Crossing_Top_Rank": -0.0748244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3", "InChI_key": "ANTSCNMPPGJYLG-UHFFFAOYSA-N" } }, "CID:2756": { "type": "Drug", "properties": { "id": "CID:2756", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2756", "label": "cimetidine", "FDA_Category_D_L1000_Similarity": 0.572903, "FDA_Category_D_Structural_Similarity": 0.636423, "FDA_Category_D_Weighted_Contribution": 0.870386, "FDA_Category_D_Top_Rank": -0.066298, "FDA_Category_X_L1000_Similarity": 1.11905, "FDA_Category_X_Structural_Similarity": -0.592128, "FDA_Category_X_Weighted_Contribution": -0.152528, "FDA_Category_X_Top_Rank": -0.0673961, "FDA_Category_D_and_X_L1000_Similarity": 0.833675, "FDA_Category_D_and_X_Structural_Similarity": 0.185627, "FDA_Category_D_and_X_Weighted_Contribution": 0.494728, "FDA_Category_D_and_X_Top_Rank": -0.076583, "Placenta_Crossing_L1000_Similarity": 0.693577, "Placenta_Crossing_Structural_Similarity": -0.688039, "Placenta_Crossing_Weighted_Contribution": -0.422273, "Placenta_Crossing_Top_Rank": -0.0790906, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C(N=CN1)CSCCNC(=NC)NC#N", "InChI_key": "AQIXAKUUQRKLND-UHFFFAOYSA-N" } }, "CID:2775510": { "type": "Drug", "properties": { "id": "CID:2775510", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2775510", "label": "wiskostatin", "FDA_Category_D_L1000_Similarity": -2.53736, "FDA_Category_D_Structural_Similarity": -0.874772, "FDA_Category_D_Weighted_Contribution": -1.53785, "FDA_Category_D_Top_Rank": -0.0968619, "FDA_Category_X_L1000_Similarity": 0.970919, "FDA_Category_X_Structural_Similarity": -0.143447, "FDA_Category_X_Weighted_Contribution": 0.216919, "FDA_Category_X_Top_Rank": -0.0723628, "FDA_Category_D_and_X_L1000_Similarity": -1.89239, "FDA_Category_D_and_X_Structural_Similarity": -0.771722, "FDA_Category_D_and_X_Weighted_Contribution": -1.32534, "FDA_Category_D_and_X_Top_Rank": -0.0958097, "Placenta_Crossing_L1000_Similarity": -2.51776, "Placenta_Crossing_Structural_Similarity": -0.369759, "Placenta_Crossing_Weighted_Contribution": -1.25365, "Placenta_Crossing_Top_Rank": -0.0883651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC(CN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br)O", "InChI_key": "XUBJEDZHBUPBKL-UHFFFAOYSA-N" } }, "CID:2900": { "type": "Drug", "properties": { "id": "CID:2900", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2900", "label": "cycloheximide", "FDA_Category_D_L1000_Similarity": 0.330562, "FDA_Category_D_Structural_Similarity": -0.344823, "FDA_Category_D_Weighted_Contribution": -0.248845, "FDA_Category_D_Top_Rank": -0.0883317, "FDA_Category_X_L1000_Similarity": -1.5823, "FDA_Category_X_Structural_Similarity": 0.39237, "FDA_Category_X_Weighted_Contribution": -0.47933, "FDA_Category_X_Top_Rank": -0.0661771, "FDA_Category_D_and_X_L1000_Similarity": -0.195571, "FDA_Category_D_and_X_Structural_Similarity": -0.0619693, "FDA_Category_D_and_X_Weighted_Contribution": -0.282581, "FDA_Category_D_and_X_Top_Rank": -0.0875455, "Placenta_Crossing_L1000_Similarity": -0.0267708, "Placenta_Crossing_Structural_Similarity": 0.833493, "Placenta_Crossing_Weighted_Contribution": 0.672878, "Placenta_Crossing_Top_Rank": -0.0582463, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C", "InChI_key": "YPHMISFOHDHNIV-UHFFFAOYSA-N" } }, "CID:29327": { "type": "Drug", "properties": { "id": "CID:29327", "label": "streptozocin", "lsm": "LSM-5014", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/29327", "FDA_Category_D_L1000_Similarity": 0.972209, "FDA_Category_D_Structural_Similarity": 2.22792, "FDA_Category_D_Weighted_Contribution": 2.744, "FDA_Category_D_Top_Rank": 0.090214, "FDA_Category_X_L1000_Similarity": 1.69472, "FDA_Category_X_Structural_Similarity": -0.0832797, "FDA_Category_X_Weighted_Contribution": 0.668748, "FDA_Category_X_Top_Rank": -0.0310577, "FDA_Category_D_and_X_L1000_Similarity": 1.35272, "FDA_Category_D_and_X_Structural_Similarity": 1.72339, "FDA_Category_D_and_X_Weighted_Contribution": 2.38342, "FDA_Category_D_and_X_Top_Rank": 0.00674343, "Placenta_Crossing_L1000_Similarity": 2.03474, "Placenta_Crossing_Structural_Similarity": -0.671102, "Placenta_Crossing_Weighted_Contribution": 0.205159, "Placenta_Crossing_Top_Rank": 0.0533483, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O", "InChI_key": "ZSJLQEPLLKMAKR-GKHCUFPYSA-N" } }, "CID:2973": { "type": "Drug", "properties": { "id": "CID:2973", "label": "deferoxamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2973", "FDA_Category_D_L1000_Similarity": -1.24049, "FDA_Category_D_Structural_Similarity": -0.799126, "FDA_Category_D_Weighted_Contribution": -1.19488, "FDA_Category_D_Top_Rank": -0.0964907, "FDA_Category_X_L1000_Similarity": 0.691819, "FDA_Category_X_Structural_Similarity": -0.425144, "FDA_Category_X_Weighted_Contribution": -0.196227, "FDA_Category_X_Top_Rank": -0.0793065, "FDA_Category_D_and_X_L1000_Similarity": -0.859234, "FDA_Category_D_and_X_Structural_Similarity": -0.863683, "FDA_Category_D_and_X_Weighted_Contribution": -1.09337, "FDA_Category_D_and_X_Top_Rank": -0.0960056, "Placenta_Crossing_L1000_Similarity": -0.338298, "Placenta_Crossing_Structural_Similarity": -0.975784, "Placenta_Crossing_Weighted_Contribution": -0.990595, "Placenta_Crossing_Top_Rank": -0.0902128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O", "InChI_key": "UBQYURCVBFRUQT-UHFFFAOYSA-N" } }, "CID:3276": { "type": "Drug", "properties": { "id": "CID:3276", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3276", "label": "etanidazole", "ref": "LSM-4774", "FDA_Category_D_L1000_Similarity": 0.708779, "FDA_Category_D_Structural_Similarity": -0.80484, "FDA_Category_D_Weighted_Contribution": -0.450265, "FDA_Category_D_Top_Rank": -0.0793241, "FDA_Category_X_L1000_Similarity": 2.74579, "FDA_Category_X_Structural_Similarity": -0.331455, "FDA_Category_X_Weighted_Contribution": 0.979744, "FDA_Category_X_Top_Rank": 0.322131, "FDA_Category_D_and_X_L1000_Similarity": 1.44482, "FDA_Category_D_and_X_Structural_Similarity": -0.817664, "FDA_Category_D_and_X_Weighted_Contribution": -0.14018, "FDA_Category_D_and_X_Top_Rank": -0.0308187, "Placenta_Crossing_L1000_Similarity": 1.54293, "Placenta_Crossing_Structural_Similarity": -0.81292, "Placenta_Crossing_Weighted_Contribution": -0.161545, "Placenta_Crossing_Top_Rank": -0.0352168, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO", "InChI_key": "WCDWBPCFGJXFJZ-UHFFFAOYSA-N" } }, "CID:3394": { "type": "Drug", "properties": { "id": "CID:3394", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3394", "label": "flurbiprofen", "FDA_Category_D_L1000_Similarity": 1.64428, "FDA_Category_D_Structural_Similarity": -0.89486, "FDA_Category_D_Weighted_Contribution": -0.0506583, "FDA_Category_D_Top_Rank": 0.0262009, "FDA_Category_X_L1000_Similarity": -0.115998, "FDA_Category_X_Structural_Similarity": -0.209301, "FDA_Category_X_Weighted_Contribution": -0.366129, "FDA_Category_X_Top_Rank": -0.084763, "FDA_Category_D_and_X_L1000_Similarity": 1.38217, "FDA_Category_D_and_X_Structural_Similarity": -0.8232, "FDA_Category_D_and_X_Weighted_Contribution": -0.176139, "FDA_Category_D_and_X_Top_Rank": -0.0391028, "Placenta_Crossing_L1000_Similarity": 1.60771, "Placenta_Crossing_Structural_Similarity": -0.854326, "Placenta_Crossing_Weighted_Contribution": -0.169149, "Placenta_Crossing_Top_Rank": -0.0277292, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O", "InChI_key": "SYTBZMRGLBWNTM-UHFFFAOYSA-N" } }, "CID:3448": { "type": "Drug", "properties": { "id": "CID:3448", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3448", "label": "gaboxadol", "FDA_Category_D_L1000_Similarity": 0.873647, "FDA_Category_D_Structural_Similarity": -0.969375, "FDA_Category_D_Weighted_Contribution": -0.504849, "FDA_Category_D_Top_Rank": -0.0726196, "FDA_Category_X_L1000_Similarity": 2.53221, "FDA_Category_X_Structural_Similarity": -0.661821, "FDA_Category_X_Weighted_Contribution": 0.494545, "FDA_Category_X_Top_Rank": 0.177124, "FDA_Category_D_and_X_L1000_Similarity": 1.52208, "FDA_Category_D_and_X_Structural_Similarity": -1.12652, "FDA_Category_D_and_X_Weighted_Contribution": -0.367509, "FDA_Category_D_and_X_Top_Rank": -0.0203077, "Placenta_Crossing_L1000_Similarity": 1.87659, "Placenta_Crossing_Structural_Similarity": -1.03583, "Placenta_Crossing_Weighted_Contribution": -0.209, "Placenta_Crossing_Top_Rank": 0.0166373, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCC2=C1C(=O)NO2", "InChI_key": "ZXRVKCBLGJOCEE-UHFFFAOYSA-N" } }, "CID:34633": { "type": "Drug", "properties": { "id": "CID:34633", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID34633", "label": "moricizine", "FDA_Category_D_L1000_Similarity": 0.8591, "FDA_Category_D_Structural_Similarity": 0.410132, "FDA_Category_D_Weighted_Contribution": 0.806996, "FDA_Category_D_Top_Rank": -0.073363, "FDA_Category_X_L1000_Similarity": 2.52721, "FDA_Category_X_Structural_Similarity": -0.594838, "FDA_Category_X_Weighted_Contribution": 0.564525, "FDA_Category_X_Top_Rank": 0.170315, "FDA_Category_D_and_X_L1000_Similarity": 1.50802, "FDA_Category_D_and_X_Structural_Similarity": 0.00455474, "FDA_Category_D_and_X_Weighted_Contribution": 0.698538, "FDA_Category_D_and_X_Top_Rank": -0.0220581, "Placenta_Crossing_L1000_Similarity": 1.7176, "Placenta_Crossing_Structural_Similarity": 0.199929, "Placenta_Crossing_Weighted_Contribution": 0.94051, "Placenta_Crossing_Top_Rank": -0.013054, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4", "InChI_key": "FUBVWMNBEHXPSU-UHFFFAOYSA-N" } }, "CID:3568": { "type": "Drug", "properties": { "id": "CID:3568", "label": "ei-273", "lsm": "LSM-5666", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3568", "FDA_Category_D_L1000_Similarity": 0.924689, "FDA_Category_D_Structural_Similarity": -0.632488, "FDA_Category_D_Weighted_Contribution": -0.195595, "FDA_Category_D_Top_Rank": -0.0699387, "FDA_Category_X_L1000_Similarity": -0.712984, "FDA_Category_X_Structural_Similarity": -0.487533, "FDA_Category_X_Weighted_Contribution": -0.82355, "FDA_Category_X_Top_Rank": -0.0896163, "FDA_Category_D_and_X_L1000_Similarity": 0.580573, "FDA_Category_D_and_X_Structural_Similarity": -0.765085, "FDA_Category_D_and_X_Weighted_Contribution": -0.500533, "FDA_Category_D_and_X_Top_Rank": -0.0839735, "Placenta_Crossing_L1000_Similarity": 0.910526, "Placenta_Crossing_Structural_Similarity": -0.844895, "Placenta_Crossing_Weighted_Contribution": -0.459964, "Placenta_Crossing_Top_Rank": -0.0733501, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCC1=CC(=C(C(=C1C2=C(C(=C(C=C2COC)O)O)O)O)O)O", "InChI_key": "NEBCAMAQXZIVRE-UHFFFAOYSA-N" } }, "CID:362328": { "type": "Drug", "properties": { "id": "CID:362328", "label": "NSC-625987", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/362328", "FDA_Category_D_L1000_Similarity": -1.19245, "FDA_Category_D_Structural_Similarity": -0.927183, "FDA_Category_D_Weighted_Contribution": -1.24411, "FDA_Category_D_Top_Rank": -0.0965236, "FDA_Category_X_L1000_Similarity": -0.880695, "FDA_Category_X_Structural_Similarity": 1.85568, "FDA_Category_X_Weighted_Contribution": 1.40396, "FDA_Category_X_Top_Rank": 0.0214041, "FDA_Category_D_and_X_L1000_Similarity": -1.29536, "FDA_Category_D_and_X_Structural_Similarity": 0.265398, "FDA_Category_D_and_X_Weighted_Contribution": -0.516876, "FDA_Category_D_and_X_Top_Rank": -0.080258, "Placenta_Crossing_L1000_Similarity": -0.923563, "Placenta_Crossing_Structural_Similarity": -0.632539, "Placenta_Crossing_Weighted_Contribution": -0.962963, "Placenta_Crossing_Top_Rank": -0.0907824, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:363863": { "type": "Drug", "properties": { "id": "CID:363863", "label": "maackiain", "lsm": "LSM-1932", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/363863", "FDA_Category_D_L1000_Similarity": 0.674056, "FDA_Category_D_Structural_Similarity": 0.435056, "FDA_Category_D_Weighted_Contribution": 0.717443, "FDA_Category_D_Top_Rank": -0.0733166, "FDA_Category_X_L1000_Similarity": 1.36831, "FDA_Category_X_Structural_Similarity": 0.141187, "FDA_Category_X_Weighted_Contribution": 0.736475, "FDA_Category_X_Top_Rank": -0.0551894, "FDA_Category_D_and_X_L1000_Similarity": 0.996583, "FDA_Category_D_and_X_Structural_Similarity": 0.421494, "FDA_Category_D_and_X_Weighted_Contribution": 0.835668, "FDA_Category_D_and_X_Top_Rank": -0.0693271, "Placenta_Crossing_L1000_Similarity": 1.09774, "Placenta_Crossing_Structural_Similarity": 0.681556, "Placenta_Crossing_Weighted_Contribution": 1.12073, "Placenta_Crossing_Top_Rank": -0.0635714, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5", "InChI_key": "HUKSJTUUSUGIDC-UHFFFAOYSA-N" } }, "CID:3652": { "type": "Drug", "properties": { "id": "CID:3652", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3652", "label": "hydroxychloroquine", "ref": "LSM-5193", "FDA_Category_D_L1000_Similarity": 2.45305, "FDA_Category_D_Structural_Similarity": 0.0370681, "FDA_Category_D_Weighted_Contribution": 1.41807, "FDA_Category_D_Top_Rank": 0.808355, "FDA_Category_X_L1000_Similarity": 3.39172, "FDA_Category_X_Structural_Similarity": -0.5669, "FDA_Category_X_Weighted_Contribution": 1.07936, "FDA_Category_X_Top_Rank": 1.40737, "FDA_Category_D_and_X_L1000_Similarity": 3.14457, "FDA_Category_D_and_X_Structural_Similarity": -0.276475, "FDA_Category_D_and_X_Weighted_Contribution": 1.3763, "FDA_Category_D_and_X_Top_Rank": 2.63116, "Placenta_Crossing_L1000_Similarity": 3.04463, "Placenta_Crossing_Structural_Similarity": 2.18875, "Placenta_Crossing_Weighted_Contribution": 3.37117, "Placenta_Crossing_Top_Rank": 1.0788, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO", "InChI_key": "XXSMGPRMXLTPCZ-UHFFFAOYSA-N" } }, "CID:3816756": { "type": "Drug", "properties": { "id": "CID:3816756", "label": "at-sumo-1", "lsm": "LSM-4836", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3816756", "FDA_Category_D_L1000_Similarity": -1.24076, "FDA_Category_D_Structural_Similarity": -0.712602, "FDA_Category_D_Weighted_Contribution": -1.15035, "FDA_Category_D_Top_Rank": -0.095946, "FDA_Category_X_L1000_Similarity": -1.1933, "FDA_Category_X_Structural_Similarity": -0.525524, "FDA_Category_X_Weighted_Contribution": -1.00975, "FDA_Category_X_Top_Rank": -0.0901666, "FDA_Category_D_and_X_L1000_Similarity": -1.43194, "FDA_Category_D_and_X_Structural_Similarity": -0.849173, "FDA_Category_D_and_X_Weighted_Contribution": -1.2458, "FDA_Category_D_and_X_Top_Rank": -0.0961851, "Placenta_Crossing_L1000_Similarity": -1.52713, "Placenta_Crossing_Structural_Similarity": -0.732706, "Placenta_Crossing_Weighted_Contribution": -1.18637, "Placenta_Crossing_Top_Rank": -0.0914119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br", "InChI_key": "GBENPFHLRCFAOS-UHFFFAOYSA-N" } }, "CID:3902": { "type": "Drug", "properties": { "id": "CID:3902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3902", "label": "letrozole", "ref": "LSM-3980", "FDA_Category_D_L1000_Similarity": 0.588644, "FDA_Category_D_Structural_Similarity": 0.935043, "FDA_Category_D_Weighted_Contribution": 1.20609, "FDA_Category_D_Top_Rank": -0.0537986, "FDA_Category_X_L1000_Similarity": -1.59904, "FDA_Category_X_Structural_Similarity": -0.0472119, "FDA_Category_X_Weighted_Contribution": -0.825721, "FDA_Category_X_Top_Rank": -0.0809036, "FDA_Category_D_and_X_L1000_Similarity": 0.0218215, "FDA_Category_D_and_X_Structural_Similarity": 0.716681, "FDA_Category_D_and_X_Weighted_Contribution": 0.572743, "FDA_Category_D_and_X_Top_Rank": -0.0667941, "Placenta_Crossing_L1000_Similarity": 0.58409, "Placenta_Crossing_Structural_Similarity": 0.253683, "Placenta_Crossing_Weighted_Contribution": 0.393569, "Placenta_Crossing_Top_Rank": -0.076395, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3", "InChI_key": "HPJKCIUCZWXJDR-UHFFFAOYSA-N" } }, "CID:39042": { "type": "Drug", "properties": { "id": "CID:39042", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID39042", "label": "bezafibrate", "FDA_Category_D_L1000_Similarity": 0.933947, "FDA_Category_D_Structural_Similarity": -0.588175, "FDA_Category_D_Weighted_Contribution": -0.150938, "FDA_Category_D_Top_Rank": -0.069452, "FDA_Category_X_L1000_Similarity": 0.791639, "FDA_Category_X_Structural_Similarity": -0.64999, "FDA_Category_X_Weighted_Contribution": -0.354283, "FDA_Category_X_Top_Rank": -0.0771102, "FDA_Category_D_and_X_L1000_Similarity": 1.04549, "FDA_Category_D_and_X_Structural_Similarity": -0.817574, "FDA_Category_D_and_X_Weighted_Contribution": -0.332939, "FDA_Category_D_and_X_Top_Rank": -0.0661892, "Placenta_Crossing_L1000_Similarity": -0.0433938, "Placenta_Crossing_Structural_Similarity": 0.255806, "Placenta_Crossing_Weighted_Contribution": 0.0820669, "Placenta_Crossing_Top_Rank": -0.0763416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl", "InChI_key": "IIBYAHWJQTYFKB-UHFFFAOYSA-N" } }, "CID:3941250": { "type": "Drug", "properties": { "id": "CID:3941250", "label": "nitrocaramiphen", "lsm": "LSM-2626", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3941250", "FDA_Category_D_L1000_Similarity": 1.83257, "FDA_Category_D_Structural_Similarity": 1.37479, "FDA_Category_D_Weighted_Contribution": 2.42722, "FDA_Category_D_Top_Rank": 0.0851426, "FDA_Category_X_L1000_Similarity": 1.43476, "FDA_Category_X_Structural_Similarity": 0.199066, "FDA_Category_X_Weighted_Contribution": 0.838255, "FDA_Category_X_Top_Rank": -0.0511229, "FDA_Category_D_and_X_L1000_Similarity": 2.01541, "FDA_Category_D_and_X_Structural_Similarity": 1.19861, "FDA_Category_D_and_X_Weighted_Contribution": 2.23911, "FDA_Category_D_and_X_Top_Rank": 0.100568, "Placenta_Crossing_L1000_Similarity": 0.696404, "Placenta_Crossing_Structural_Similarity": 2.09612, "Placenta_Crossing_Weighted_Contribution": 2.37528, "Placenta_Crossing_Top_Rank": 0.0405143, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]", "InChI_key": "NSHMVLOWOAQFTP-UHFFFAOYSA-N" } }, "CID:3969": { "type": "Drug", "properties": { "id": "CID:3969", "label": "tomelukast", "lsm": "LSM-3675", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3969", "FDA_Category_D_L1000_Similarity": 0.846875, "FDA_Category_D_Structural_Similarity": 4.96597, "FDA_Category_D_Weighted_Contribution": 4.13142, "FDA_Category_D_Top_Rank": 1.20195, "FDA_Category_X_L1000_Similarity": -0.992578, "FDA_Category_X_Structural_Similarity": -0.578893, "FDA_Category_X_Weighted_Contribution": -0.979811, "FDA_Category_X_Top_Rank": -0.0908373, "FDA_Category_D_and_X_L1000_Similarity": 0.428594, "FDA_Category_D_and_X_Structural_Similarity": 3.62919, "FDA_Category_D_and_X_Weighted_Contribution": 3.41759, "FDA_Category_D_and_X_Top_Rank": 0.47694, "Placenta_Crossing_L1000_Similarity": 1.54145, "Placenta_Crossing_Structural_Similarity": 1.3143, "Placenta_Crossing_Weighted_Contribution": 2.02991, "Placenta_Crossing_Top_Rank": -0.0319685, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2", "InChI_key": "MWYHLEQJTQJHSS-UHFFFAOYSA-N" } }, "CID:39836": { "type": "Drug", "properties": { "id": "CID:39836", "label": "n-omega-nitro-l-arginine methyl ester", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/39836", "FDA_Category_D_L1000_Similarity": 0.640373, "FDA_Category_D_Structural_Similarity": 0.345265, "FDA_Category_D_Weighted_Contribution": 0.60107, "FDA_Category_D_Top_Rank": -0.0759295, "FDA_Category_X_L1000_Similarity": 1.07084, "FDA_Category_X_Structural_Similarity": -0.581083, "FDA_Category_X_Weighted_Contribution": -0.164797, "FDA_Category_X_Top_Rank": -0.0691357, "FDA_Category_D_and_X_L1000_Similarity": 0.877207, "FDA_Category_D_and_X_Structural_Similarity": -0.039509, "FDA_Category_D_and_X_Weighted_Contribution": 0.292826, "FDA_Category_D_and_X_Top_Rank": -0.0750204, "Placenta_Crossing_L1000_Similarity": 1.37627, "Placenta_Crossing_Structural_Similarity": 0.00640827, "Placenta_Crossing_Weighted_Contribution": 0.5523, "Placenta_Crossing_Top_Rank": -0.05045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C(CCCN=C(N)N[N+](=O)[O-])N", "InChI_key": "KCWZGJVSDFYRIX-YFKPBYRVSA-N" } }, "CID:4160": { "type": "Drug", "properties": { "id": "CID:4160", "label": "methyl-testosterone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4160", "FDA_Category_D_L1000_Similarity": -0.345062, "FDA_Category_D_Structural_Similarity": -0.458565, "FDA_Category_D_Weighted_Contribution": -0.660067, "FDA_Category_D_Top_Rank": -0.0936354, "FDA_Category_X_L1000_Similarity": 0.642849, "FDA_Category_X_Structural_Similarity": 7.11797, "FDA_Category_X_Weighted_Contribution": 4.61239, "FDA_Category_X_Top_Rank": 2.16003, "FDA_Category_D_and_X_L1000_Similarity": -0.102224, "FDA_Category_D_and_X_Structural_Similarity": 3.47686, "FDA_Category_D_and_X_Weighted_Contribution": 3.13901, "FDA_Category_D_and_X_Top_Rank": 0.371489, "Placenta_Crossing_L1000_Similarity": -0.439418, "Placenta_Crossing_Structural_Similarity": 1.27287, "Placenta_Crossing_Weighted_Contribution": 0.917607, "Placenta_Crossing_Top_Rank": -0.0347723, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:41867": { "type": "Drug", "properties": { "id": "CID:41867", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID41867", "label": "epirubicin", "FDA_Category_D_L1000_Similarity": 1.09939, "FDA_Category_D_Structural_Similarity": 6.46979, "FDA_Category_D_Weighted_Contribution": 4.38578, "FDA_Category_D_Top_Rank": 2.50703, "FDA_Category_X_L1000_Similarity": -2.44226, "FDA_Category_X_Structural_Similarity": 1.50371, "FDA_Category_X_Weighted_Contribution": 0.154693, "FDA_Category_X_Top_Rank": -0.00882986, "FDA_Category_D_and_X_L1000_Similarity": 0.206025, "FDA_Category_D_and_X_Structural_Similarity": 5.94655, "FDA_Category_D_and_X_Weighted_Contribution": 4.15085, "FDA_Category_D_and_X_Top_Rank": 1.94761, "Placenta_Crossing_L1000_Similarity": -1.48455, "Placenta_Crossing_Structural_Similarity": 1.63757, "Placenta_Crossing_Weighted_Contribution": 0.741046, "Placenta_Crossing_Top_Rank": -0.00926726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O", "InChI_key": "AOJJSUZBOXZQNB-VTZDEGQISA-N" } }, "CID:42623900": { "type": "Drug", "properties": { "id": "CID:42623900", "label": "qs-11", "lsm": "LSM-5212", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42623900", "FDA_Category_D_L1000_Similarity": 0.331929, "FDA_Category_D_Structural_Similarity": 0.288662, "FDA_Category_D_Weighted_Contribution": 0.354802, "FDA_Category_D_Top_Rank": -0.0774731, "FDA_Category_X_L1000_Similarity": -1.27244, "FDA_Category_X_Structural_Similarity": 0.13191, "FDA_Category_X_Weighted_Contribution": -0.566086, "FDA_Category_X_Top_Rank": -0.0759678, "FDA_Category_D_and_X_L1000_Similarity": -0.100288, "FDA_Category_D_and_X_Structural_Similarity": 0.300293, "FDA_Category_D_and_X_Weighted_Contribution": 0.0912292, "FDA_Category_D_and_X_Top_Rank": -0.0794335, "Placenta_Crossing_L1000_Similarity": -1.17291, "Placenta_Crossing_Structural_Similarity": 0.319511, "Placenta_Crossing_Weighted_Contribution": -0.372533, "Placenta_Crossing_Top_Rank": -0.0745457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)NC(CC7=CC=CC=C7)CO", "InChI_key": "DOKZLKDGUQWMSX-HKBQPEDESA-N" } }, "CID:439620": { "type": "Drug", "properties": { "id": "CID:439620", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID439620", "label": "oxalomalic-acid", "FDA_Category_D_L1000_Similarity": 0.103824, "FDA_Category_D_Structural_Similarity": 0.337101, "FDA_Category_D_Weighted_Contribution": 0.268742, "FDA_Category_D_Top_Rank": -0.0761721, "FDA_Category_X_L1000_Similarity": 0.377473, "FDA_Category_X_Structural_Similarity": -0.638966, "FDA_Category_X_Weighted_Contribution": -0.521425, "FDA_Category_X_Top_Rank": -0.0840552, "FDA_Category_D_and_X_L1000_Similarity": 0.204129, "FDA_Category_D_and_X_Structural_Similarity": -0.0772216, "FDA_Category_D_and_X_Weighted_Contribution": -0.0999566, "FDA_Category_D_and_X_Top_Rank": -0.0878771, "Placenta_Crossing_L1000_Similarity": 0.955644, "Placenta_Crossing_Structural_Similarity": 1.39502, "Placenta_Crossing_Weighted_Contribution": 1.80723, "Placenta_Crossing_Top_Rank": -0.0271726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(C(=O)O)O)(C(=O)C(=O)O)C(=O)O", "InChI_key": "YILAUJBAPQXZGM-UHFFFAOYSA-N" } }, "CID:4410": { "type": "Drug", "properties": { "id": "CID:4410", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4410", "label": "nadifloxacin", "FDA_Category_D_L1000_Similarity": 0.200918, "FDA_Category_D_Structural_Similarity": 1.17147, "FDA_Category_D_Weighted_Contribution": 1.21636, "FDA_Category_D_Top_Rank": -0.0417815, "FDA_Category_X_L1000_Similarity": 1.18777, "FDA_Category_X_Structural_Similarity": -0.543398, "FDA_Category_X_Weighted_Contribution": -0.0735111, "FDA_Category_X_Top_Rank": -0.0648163, "FDA_Category_D_and_X_L1000_Similarity": 0.533896, "FDA_Category_D_and_X_Structural_Similarity": 0.636596, "FDA_Category_D_and_X_Weighted_Contribution": 0.788891, "FDA_Category_D_and_X_Top_Rank": -0.0694454, "Placenta_Crossing_L1000_Similarity": 1.33975, "Placenta_Crossing_Structural_Similarity": -0.539493, "Placenta_Crossing_Weighted_Contribution": -0.00618918, "Placenta_Crossing_Top_Rank": -0.0530898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O", "InChI_key": "JYJTVFIEFKZWCJ-UHFFFAOYSA-N" } }, "CID:441029": { "type": "Drug", "properties": { "id": "CID:441029", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441029", "label": "Fosfomycin", "FDA_Category_D_L1000_Similarity": 2.11652, "FDA_Category_D_Structural_Similarity": -0.865637, "FDA_Category_D_Weighted_Contribution": 0.244594, "FDA_Category_D_Top_Rank": 0.309988, "FDA_Category_X_L1000_Similarity": 2.2033, "FDA_Category_X_Structural_Similarity": -0.673566, "FDA_Category_X_Weighted_Contribution": 0.306859, "FDA_Category_X_Top_Rank": 0.0517401, "FDA_Category_D_and_X_L1000_Similarity": 2.49357, "FDA_Category_D_and_X_Structural_Similarity": -1.05052, "FDA_Category_D_and_X_Weighted_Contribution": 0.19012, "FDA_Category_D_and_X_Top_Rank": 0.482858, "Placenta_Crossing_L1000_Similarity": 1.57016, "Placenta_Crossing_Structural_Similarity": -1.03034, "Placenta_Crossing_Weighted_Contribution": -0.337755, "Placenta_Crossing_Top_Rank": -0.0320497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:441728": { "type": "Drug", "properties": { "id": "CID:441728", "label": "deltaline", "lsm": "LSM-1966", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441728", "FDA_Category_D_L1000_Similarity": 1.28634, "FDA_Category_D_Structural_Similarity": -0.105149, "FDA_Category_D_Weighted_Contribution": 0.525261, "FDA_Category_D_Top_Rank": -0.0388274, "FDA_Category_X_L1000_Similarity": 0.670897, "FDA_Category_X_Structural_Similarity": -0.0881695, "FDA_Category_X_Weighted_Contribution": 0.12022, "FDA_Category_X_Top_Rank": -0.079776, "FDA_Category_D_and_X_L1000_Similarity": 1.31259, "FDA_Category_D_and_X_Structural_Similarity": -0.131034, "FDA_Category_D_and_X_Weighted_Contribution": 0.445657, "FDA_Category_D_and_X_Top_Rank": -0.0457393, "Placenta_Crossing_L1000_Similarity": 1.98919, "Placenta_Crossing_Structural_Similarity": 0.065838, "Placenta_Crossing_Weighted_Contribution": 0.944472, "Placenta_Crossing_Top_Rank": 0.04123, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C[C@]2(C)CC[C@H](OC)[C@]34C2[C@H](OC(C)=O)C5(OCO[C@@]56C[C@H](OC)[C@H]7C[C@]3(O)C6[C@H]7OC)C14", "InChI_key": "DTTPWCNKTMQMTE-DCRKHLHRSA-N" } }, "CID:44199317": { "type": "Drug", "properties": { "id": "CID:44199317", "label": "AZD-2461", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44199317", "FDA_Category_D_L1000_Similarity": 1.55082, "FDA_Category_D_Structural_Similarity": 0.0964119, "FDA_Category_D_Weighted_Contribution": 0.905756, "FDA_Category_D_Top_Rank": 0.00301192, "FDA_Category_X_L1000_Similarity": 0.834337, "FDA_Category_X_Structural_Similarity": -0.117013, "FDA_Category_X_Weighted_Contribution": 0.173947, "FDA_Category_X_Top_Rank": -0.0760567, "FDA_Category_D_and_X_L1000_Similarity": 1.59021, "FDA_Category_D_and_X_Structural_Similarity": 0.0133838, "FDA_Category_D_and_X_Weighted_Contribution": 0.756153, "FDA_Category_D_and_X_Top_Rank": -0.00891464, "Placenta_Crossing_L1000_Similarity": 1.30831, "Placenta_Crossing_Structural_Similarity": 0.371502, "Placenta_Crossing_Weighted_Contribution": 0.901807, "Placenta_Crossing_Top_Rank": -0.0548688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44483329": { "type": "Drug", "properties": { "id": "CID:44483329", "label": "malonoben", "lsm": "LSM-2854", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483329", "FDA_Category_D_L1000_Similarity": -2.16109, "FDA_Category_D_Structural_Similarity": 0.885282, "FDA_Category_D_Weighted_Contribution": -0.44248, "FDA_Category_D_Top_Rank": -0.0565593, "FDA_Category_X_L1000_Similarity": -0.847777, "FDA_Category_X_Structural_Similarity": -0.510948, "FDA_Category_X_Weighted_Contribution": -0.886775, "FDA_Category_X_Top_Rank": -0.0899836, "FDA_Category_D_and_X_L1000_Similarity": -2.12035, "FDA_Category_D_and_X_Structural_Similarity": 0.426955, "FDA_Category_D_and_X_Weighted_Contribution": -0.736714, "FDA_Category_D_and_X_Top_Rank": -0.0760861, "Placenta_Crossing_L1000_Similarity": -2.25425, "Placenta_Crossing_Structural_Similarity": 0.295634, "Placenta_Crossing_Weighted_Contribution": -0.801826, "Placenta_Crossing_Top_Rank": -0.0750966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)[N+]#[C-]", "InChI_key": "MKUVGSJPVXTADZ-UHFFFAOYSA-N" } }, "CID:44483932": { "type": "Drug", "properties": { "id": "CID:44483932", "label": "SA-423862", "lsm": "LSM-14866", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483932", "FDA_Category_D_L1000_Similarity": -0.31937, "FDA_Category_X_L1000_Similarity": 0.348055, "FDA_Category_D_and_X_L1000_Similarity": -0.169597, "Placenta_Crossing_L1000_Similarity": 0.721874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44483939": { "type": "Drug", "properties": { "id": "CID:44483939", "label": "SA-1944378", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483939", "FDA_Category_D_L1000_Similarity": 1.318, "FDA_Category_D_Structural_Similarity": -0.314207, "FDA_Category_D_Weighted_Contribution": 0.328942, "FDA_Category_D_Top_Rank": -0.0355744, "FDA_Category_X_L1000_Similarity": 0.997787, "FDA_Category_X_Structural_Similarity": -0.343448, "FDA_Category_X_Weighted_Contribution": 0.0286883, "FDA_Category_X_Top_Rank": -0.0715132, "FDA_Category_D_and_X_L1000_Similarity": 1.43914, "FDA_Category_D_and_X_Structural_Similarity": -0.434713, "FDA_Category_D_and_X_Weighted_Contribution": 0.214135, "FDA_Category_D_and_X_Top_Rank": -0.0315383, "Placenta_Crossing_L1000_Similarity": 1.57161, "Placenta_Crossing_Structural_Similarity": -0.0740895, "Placenta_Crossing_Weighted_Contribution": 0.571635, "Placenta_Crossing_Top_Rank": -0.0318055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44484295": { "type": "Drug", "properties": { "id": "CID:44484295", "label": "SA-90544", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484295", "FDA_Category_D_L1000_Similarity": -0.538348, "FDA_Category_X_L1000_Similarity": -0.0971815, "FDA_Category_D_and_X_L1000_Similarity": -0.49358, "Placenta_Crossing_L1000_Similarity": 0.539977, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44489343": { "type": "Drug", "properties": { "id": "CID:44489343", "label": "SA-425929", "lsm": "LSM-14854", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489343", "FDA_Category_D_L1000_Similarity": 0.468318, "FDA_Category_X_L1000_Similarity": -0.735672, "FDA_Category_D_and_X_L1000_Similarity": 0.180289, "Placenta_Crossing_L1000_Similarity": -0.0926019, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4449": { "type": "Drug", "properties": { "id": "CID:4449", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4449", "label": "nefazodone", "ref": "LSM-4031", "FDA_Category_D_L1000_Similarity": -0.614389, "FDA_Category_D_Structural_Similarity": 0.00831865, "FDA_Category_D_Weighted_Contribution": -0.418933, "FDA_Category_D_Top_Rank": -0.084971, "FDA_Category_X_L1000_Similarity": 1.33252, "FDA_Category_X_Structural_Similarity": 0.480695, "FDA_Category_X_Weighted_Contribution": 1.09888, "FDA_Category_X_Top_Rank": -0.0572766, "FDA_Category_D_and_X_L1000_Similarity": -0.124951, "FDA_Category_D_and_X_Structural_Similarity": 0.265984, "FDA_Category_D_and_X_Weighted_Contribution": 0.0458847, "FDA_Category_D_and_X_Top_Rank": -0.0802218, "Placenta_Crossing_L1000_Similarity": 1.40103, "Placenta_Crossing_Structural_Similarity": -0.14185, "Placenta_Crossing_Weighted_Contribution": 0.41278, "Placenta_Crossing_Top_Rank": -0.0481428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl", "InChI_key": "VRBKIVRKKCLPHA-UHFFFAOYSA-N" } }, "CID:44492524": { "type": "Drug", "properties": { "id": "CID:44492524", "label": "SA-242939", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44492524", "FDA_Category_D_L1000_Similarity": 0.195486, "FDA_Category_D_Structural_Similarity": -0.255657, "FDA_Category_D_Weighted_Contribution": -0.240012, "FDA_Category_D_Top_Rank": -0.0902765, "FDA_Category_X_L1000_Similarity": -0.184439, "FDA_Category_X_Structural_Similarity": 0.386752, "FDA_Category_X_Weighted_Contribution": 0.16779, "FDA_Category_X_Top_Rank": -0.0664176, "FDA_Category_D_and_X_L1000_Similarity": 0.112497, "FDA_Category_D_and_X_Structural_Similarity": 0.00577152, "FDA_Category_D_and_X_Weighted_Contribution": -0.0713645, "FDA_Category_D_and_X_Top_Rank": -0.0861751, "Placenta_Crossing_L1000_Similarity": 0.589287, "Placenta_Crossing_Structural_Similarity": -0.498362, "Placenta_Crossing_Weighted_Contribution": -0.308755, "Placenta_Crossing_Top_Rank": -0.0812069, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44496365": { "type": "Drug", "properties": { "id": "CID:44496365", "label": "SA-243929", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44496365", "FDA_Category_D_L1000_Similarity": 1.35216, "FDA_Category_D_Structural_Similarity": 0.171561, "FDA_Category_D_Weighted_Contribution": 0.861143, "FDA_Category_D_Top_Rank": -0.0314417, "FDA_Category_X_L1000_Similarity": 0.0344079, "FDA_Category_X_Structural_Similarity": 1.18621, "FDA_Category_X_Weighted_Contribution": 1.16259, "FDA_Category_X_Top_Rank": -0.0294506, "FDA_Category_D_and_X_L1000_Similarity": 1.17603, "FDA_Category_D_and_X_Structural_Similarity": 0.776246, "FDA_Category_D_and_X_Weighted_Contribution": 1.32203, "FDA_Category_D_and_X_Top_Rank": -0.0565881, "Placenta_Crossing_L1000_Similarity": 1.13502, "Placenta_Crossing_Structural_Similarity": 0.54292, "Placenta_Crossing_Weighted_Contribution": 0.99154, "Placenta_Crossing_Top_Rank": -0.0651065, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44498994": { "type": "Drug", "properties": { "id": "CID:44498994", "label": "SA-96835", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44498994", "FDA_Category_D_L1000_Similarity": 0.846511, "FDA_Category_D_Structural_Similarity": -0.426939, "FDA_Category_D_Weighted_Contribution": -0.0499487, "FDA_Category_D_Top_Rank": -0.0739381, "FDA_Category_X_L1000_Similarity": 1.18067, "FDA_Category_X_Structural_Similarity": 1.02268, "FDA_Category_X_Weighted_Contribution": 1.62952, "FDA_Category_X_Top_Rank": -0.0398778, "FDA_Category_D_and_X_L1000_Similarity": 1.08826, "FDA_Category_D_and_X_Structural_Similarity": 0.212966, "FDA_Category_D_and_X_Weighted_Contribution": 0.670429, "FDA_Category_D_and_X_Top_Rank": -0.0634987, "Placenta_Crossing_L1000_Similarity": 0.812658, "Placenta_Crossing_Structural_Similarity": -0.575608, "Placenta_Crossing_Weighted_Contribution": -0.277994, "Placenta_Crossing_Top_Rank": -0.0759694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44500998": { "type": "Drug", "properties": { "id": "CID:44500998", "label": "SA-245650", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44500998", "FDA_Category_D_L1000_Similarity": 1.15532, "FDA_Category_X_L1000_Similarity": 1.40637, "FDA_Category_D_and_X_L1000_Similarity": 1.423, "Placenta_Crossing_L1000_Similarity": 1.5252, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44504533": { "type": "Drug", "properties": { "id": "CID:44504533", "label": "SA-103150", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44504533", "FDA_Category_D_L1000_Similarity": 0.475433, "FDA_Category_D_Structural_Similarity": 2.26857, "FDA_Category_D_Weighted_Contribution": 2.52011, "FDA_Category_D_Top_Rank": 0.0983549, "FDA_Category_X_L1000_Similarity": 1.16235, "FDA_Category_X_Structural_Similarity": -0.282023, "FDA_Category_X_Weighted_Contribution": 0.17306, "FDA_Category_X_Top_Rank": -0.065857, "FDA_Category_D_and_X_L1000_Similarity": 0.762809, "FDA_Category_D_and_X_Structural_Similarity": 1.64841, "FDA_Category_D_and_X_Weighted_Contribution": 1.9912, "FDA_Category_D_and_X_Top_Rank": -0.000875208, "Placenta_Crossing_L1000_Similarity": 0.815512, "Placenta_Crossing_Structural_Similarity": 0.234479, "Placenta_Crossing_Weighted_Contribution": 0.493969, "Placenta_Crossing_Top_Rank": -0.0758767, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505239": { "type": "Drug", "properties": { "id": "CID:44505239", "label": "SA-419021", "lsm": "LSM-8196", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505239", "FDA_Category_D_L1000_Similarity": 1.49229, "FDA_Category_X_L1000_Similarity": 0.842416, "FDA_Category_D_and_X_L1000_Similarity": 1.5422, "Placenta_Crossing_L1000_Similarity": 1.61766, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44593870": { "type": "Drug", "properties": { "id": "CID:44593870", "label": "ku-c103885", "lsm": "LSM-2794", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44593870", "FDA_Category_D_L1000_Similarity": -0.811037, "FDA_Category_D_Structural_Similarity": -0.370593, "FDA_Category_D_Weighted_Contribution": -0.791528, "FDA_Category_D_Top_Rank": -0.0925153, "FDA_Category_X_L1000_Similarity": 0.350887, "FDA_Category_X_Structural_Similarity": -0.613311, "FDA_Category_X_Weighted_Contribution": -0.511229, "FDA_Category_X_Top_Rank": -0.0843793, "FDA_Category_D_and_X_L1000_Similarity": -0.592564, "FDA_Category_D_and_X_Structural_Similarity": -0.625084, "FDA_Category_D_and_X_Weighted_Contribution": -0.86636, "FDA_Category_D_and_X_Top_Rank": -0.0949741, "Placenta_Crossing_L1000_Similarity": -0.161534, "Placenta_Crossing_Structural_Similarity": -0.730392, "Placenta_Crossing_Weighted_Contribution": -0.777746, "Placenta_Crossing_Top_Rank": -0.0893715, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F", "InChI_key": "SVRPCKORFHWVIP-UHFFFAOYSA-N" } }, "CID:44601475": { "type": "Drug", "properties": { "id": "CID:44601475", "label": "kuc103903n", "lsm": "LSM-3983", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44601475", "FDA_Category_D_L1000_Similarity": 0.869564, "FDA_Category_D_Structural_Similarity": -0.387804, "FDA_Category_D_Weighted_Contribution": -0.000608713, "FDA_Category_D_Top_Rank": -0.0728608, "FDA_Category_X_L1000_Similarity": 0.103094, "FDA_Category_X_Structural_Similarity": -0.474247, "FDA_Category_X_Weighted_Contribution": -0.498733, "FDA_Category_X_Top_Rank": -0.0868232, "FDA_Category_D_and_X_L1000_Similarity": 0.780881, "FDA_Category_D_and_X_Structural_Similarity": -0.563707, "FDA_Category_D_and_X_Weighted_Contribution": -0.243606, "FDA_Category_D_and_X_Top_Rank": -0.0784738, "Placenta_Crossing_L1000_Similarity": 0.486856, "Placenta_Crossing_Structural_Similarity": 0.688754, "Placenta_Crossing_Weighted_Contribution": 0.795517, "Placenta_Crossing_Top_Rank": -0.0634258, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CS3)SCC4=CC(=C(C=C4)Cl)Cl", "InChI_key": "FCROWDAKNKFHDO-UHFFFAOYSA-N" } }, "CID:44607360": { "type": "Drug", "properties": { "id": "CID:44607360", "label": "wz-3146", "lsm": "LSM-5809", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607360", "FDA_Category_D_L1000_Similarity": -2.26031, "FDA_Category_D_Structural_Similarity": -0.435106, "FDA_Category_D_Weighted_Contribution": -1.30605, "FDA_Category_D_Top_Rank": -0.0933673, "FDA_Category_X_L1000_Similarity": 1.64232, "FDA_Category_X_Structural_Similarity": -0.460042, "FDA_Category_X_Weighted_Contribution": 0.236914, "FDA_Category_X_Top_Rank": -0.0360984, "FDA_Category_D_and_X_L1000_Similarity": -1.44969, "FDA_Category_D_and_X_Structural_Similarity": -0.593586, "FDA_Category_D_and_X_Weighted_Contribution": -1.12547, "FDA_Category_D_and_X_Top_Rank": -0.0947528, "Placenta_Crossing_L1000_Similarity": -1.61424, "Placenta_Crossing_Structural_Similarity": 0.456258, "Placenta_Crossing_Weighted_Contribution": -0.443669, "Placenta_Crossing_Top_Rank": -0.0708259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl", "InChI_key": "APHGZZPEOCCYNO-UHFFFAOYSA-N" } }, "CID:44617231": { "type": "Drug", "properties": { "id": "CID:44617231", "label": "SA-424371", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44617231", "FDA_Category_D_L1000_Similarity": -0.318329, "FDA_Category_D_Structural_Similarity": 1.36233, "FDA_Category_D_Weighted_Contribution": 1.09247, "FDA_Category_D_Top_Rank": -0.0300735, "FDA_Category_X_L1000_Similarity": 0.696966, "FDA_Category_X_Structural_Similarity": -0.607328, "FDA_Category_X_Weighted_Contribution": -0.358425, "FDA_Category_X_Top_Rank": -0.0791967, "FDA_Category_D_and_X_L1000_Similarity": -0.0627459, "FDA_Category_D_and_X_Structural_Similarity": 0.753587, "FDA_Category_D_and_X_Weighted_Contribution": 0.561912, "FDA_Category_D_and_X_Top_Rank": -0.0653422, "Placenta_Crossing_L1000_Similarity": 0.971246, "Placenta_Crossing_Structural_Similarity": 0.397446, "Placenta_Crossing_Weighted_Contribution": 0.747102, "Placenta_Crossing_Top_Rank": -0.0713868, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:448013": { "type": "Drug", "properties": { "id": "CID:448013", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID448013", "label": "patupilone", "FDA_Category_D_L1000_Similarity": -1.14935, "FDA_Category_X_L1000_Similarity": -0.832019, "FDA_Category_D_and_X_L1000_Similarity": -1.24342, "Placenta_Crossing_L1000_Similarity": -1.20172, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C", "InChI_key": "QXRSDHAAWVKZLJ-PVYNADRNSA-N" } }, "CID:4485": { "type": "Drug", "properties": { "id": "CID:4485", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4485", "label": "nifedipine", "FDA_Category_D_L1000_Similarity": 1.03354, "FDA_Category_D_Structural_Similarity": 1.43732, "FDA_Category_D_Weighted_Contribution": 2.02506, "FDA_Category_D_Top_Rank": -0.0235975, "FDA_Category_X_L1000_Similarity": -0.494441, "FDA_Category_X_Structural_Similarity": 0.0131121, "FDA_Category_X_Weighted_Contribution": -0.337042, "FDA_Category_X_Top_Rank": -0.0794467, "FDA_Category_D_and_X_L1000_Similarity": 0.740763, "FDA_Category_D_and_X_Structural_Similarity": 1.1479, "FDA_Category_D_and_X_Weighted_Contribution": 1.45825, "FDA_Category_D_and_X_Top_Rank": -0.042793, "Placenta_Crossing_L1000_Similarity": 0.593398, "Placenta_Crossing_Structural_Similarity": 0.687516, "Placenta_Crossing_Weighted_Contribution": 0.851849, "Placenta_Crossing_Top_Rank": -0.0634595, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC", "InChI_key": "HYIMSNHJOBLJNT-UHFFFAOYSA-N" } }, "CID:448991": { "type": "Drug", "properties": { "id": "CID:448991", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID448991", "label": "purvalanol", "FDA_Category_D_L1000_Similarity": 0.587796, "FDA_Category_D_Structural_Similarity": 1.73869, "FDA_Category_D_Weighted_Contribution": 2.06651, "FDA_Category_D_Top_Rank": 0.0110307, "FDA_Category_X_L1000_Similarity": 1.09204, "FDA_Category_X_Structural_Similarity": -0.341377, "FDA_Category_X_Weighted_Contribution": 0.0775884, "FDA_Category_X_Top_Rank": -0.0683482, "FDA_Category_D_and_X_L1000_Similarity": 0.838321, "FDA_Category_D_and_X_Structural_Similarity": 1.19582, "FDA_Category_D_and_X_Weighted_Contribution": 1.56707, "FDA_Category_D_and_X_Top_Rank": -0.0397373, "Placenta_Crossing_L1000_Similarity": 1.05165, "Placenta_Crossing_Structural_Similarity": -0.0233988, "Placenta_Crossing_Weighted_Contribution": 0.35324, "Placenta_Crossing_Top_Rank": -0.0684761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)O)Cl", "InChI_key": "ZKDXRFMOHZVXSG-HNNXBMFYSA-N" } }, "CID:449381": { "type": "Drug", "properties": { "id": "CID:449381", "label": "oseltamivir acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/449381", "FDA_Category_D_L1000_Similarity": 1.08961, "FDA_Category_X_L1000_Similarity": -0.250855, "FDA_Category_D_and_X_L1000_Similarity": 0.863078, "Placenta_Crossing_L1000_Similarity": 1.36674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O", "InChI_key": "NENPYTRHICXVCS-YNEHKIRRSA-N" } }, "CID:4497": { "type": "Drug", "properties": { "id": "CID:4497", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4497", "label": "nimodipine", "FDA_Category_D_L1000_Similarity": 2.96086, "FDA_Category_D_Structural_Similarity": -0.104838, "FDA_Category_D_Weighted_Contribution": 1.58705, "FDA_Category_D_Top_Rank": 3.08707, "FDA_Category_X_L1000_Similarity": 1.41657, "FDA_Category_X_Structural_Similarity": 0.172283, "FDA_Category_X_Weighted_Contribution": 0.79807, "FDA_Category_X_Top_Rank": -0.0521136, "FDA_Category_D_and_X_L1000_Similarity": 2.98249, "FDA_Category_D_and_X_Structural_Similarity": 0.00975205, "FDA_Category_D_and_X_Weighted_Contribution": 1.58384, "FDA_Category_D_and_X_Top_Rank": 1.63691, "Placenta_Crossing_L1000_Similarity": 2.60703, "Placenta_Crossing_Structural_Similarity": 2.83629, "Placenta_Crossing_Weighted_Contribution": 3.60382, "Placenta_Crossing_Top_Rank": 0.349176, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC", "InChI_key": "UIAGMCDKSXEBJQ-UHFFFAOYSA-N" } }, "CID:45100448": { "type": "Drug", "properties": { "id": "CID:45100448", "label": "brd-k77547509", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45100448", "FDA_Category_D_L1000_Similarity": 0.124125, "FDA_Category_D_Structural_Similarity": 0.715953, "FDA_Category_D_Weighted_Contribution": 0.673564, "FDA_Category_D_Top_Rank": -0.0635836, "FDA_Category_X_L1000_Similarity": -0.807126, "FDA_Category_X_Structural_Similarity": -0.64678, "FDA_Category_X_Weighted_Contribution": -0.963711, "FDA_Category_X_Top_Rank": -0.0908939, "FDA_Category_D_and_X_L1000_Similarity": -0.138107, "FDA_Category_D_and_X_Structural_Similarity": 0.219262, "FDA_Category_D_and_X_Weighted_Contribution": -0.00446751, "FDA_Category_D_and_X_Top_Rank": -0.0812772, "Placenta_Crossing_L1000_Similarity": -0.156025, "Placenta_Crossing_Structural_Similarity": -0.698973, "Placenta_Crossing_Weighted_Contribution": -0.754289, "Placenta_Crossing_Top_Rank": -0.0893134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F", "InChI_key": "MFABFKUNLDYKGH-UHFFFAOYSA-N" } }, "CID:4534086": { "type": "Drug", "properties": { "id": "CID:4534086", "label": "kb-r7943", "lsm": "LSM-2384", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4534086", "FDA_Category_D_L1000_Similarity": -1.88903, "FDA_Category_D_Structural_Similarity": -0.519867, "FDA_Category_D_Weighted_Contribution": -1.24439, "FDA_Category_D_Top_Rank": -0.0943189, "FDA_Category_X_L1000_Similarity": 1.14636, "FDA_Category_X_Structural_Similarity": -0.516541, "FDA_Category_X_Weighted_Contribution": -0.0676079, "FDA_Category_X_Top_Rank": -0.0664176, "FDA_Category_D_and_X_L1000_Similarity": -1.28026, "FDA_Category_D_and_X_Structural_Similarity": -0.691349, "FDA_Category_D_and_X_Weighted_Contribution": -1.12692, "FDA_Category_D_and_X_Top_Rank": -0.0953709, "Placenta_Crossing_L1000_Similarity": -2.54346, "Placenta_Crossing_Structural_Similarity": 2.05635, "Placenta_Crossing_Weighted_Contribution": 0.616334, "Placenta_Crossing_Top_Rank": 0.0370433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]", "InChI_key": "UMJUNUMSJDTYTM-UHFFFAOYSA-N" } }, "CID:4583": { "type": "Drug", "properties": { "id": "CID:4583", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4583", "label": "ofloxacin", "FDA_Category_D_L1000_Similarity": 1.08245, "FDA_Category_X_L1000_Similarity": -1.80342, "FDA_Category_D_and_X_L1000_Similarity": 0.385425, "Placenta_Crossing_L1000_Similarity": 0.887266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O", "InChI_key": "GSDSWSVVBLHKDQ-UHFFFAOYSA-N" } }, "CID:46191454": { "type": "Drug", "properties": { "id": "CID:46191454", "label": "pha-793887", "lsm": "LSM-1073", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46191454", "FDA_Category_D_L1000_Similarity": -0.375564, "FDA_Category_D_Structural_Similarity": 2.31846, "FDA_Category_D_Weighted_Contribution": 2.08249, "FDA_Category_D_Top_Rank": 0.107985, "FDA_Category_X_L1000_Similarity": -2.64139, "FDA_Category_X_Structural_Similarity": -0.734308, "FDA_Category_X_Weighted_Contribution": -1.48375, "FDA_Category_X_Top_Rank": -0.0921522, "FDA_Category_D_and_X_L1000_Similarity": -1.12588, "FDA_Category_D_and_X_Structural_Similarity": 1.44396, "FDA_Category_D_and_X_Weighted_Contribution": 0.65981, "FDA_Category_D_and_X_Top_Rank": -0.0204268, "Placenta_Crossing_L1000_Similarity": -1.80098, "Placenta_Crossing_Structural_Similarity": 0.776681, "Placenta_Crossing_Weighted_Contribution": -0.255291, "Placenta_Crossing_Top_Rank": -0.0602474, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C", "InChI_key": "HUXYBQXJVXOMKX-UHFFFAOYSA-N" } }, "CID:4628": { "type": "Drug", "properties": { "id": "CID:4628", "label": "oxolinic acid", "lsm": "LSM-5811", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4628", "FDA_Category_D_L1000_Similarity": 0.474239, "FDA_Category_D_Structural_Similarity": -0.199915, "FDA_Category_D_Weighted_Contribution": -0.0415327, "FDA_Category_D_Top_Rank": -0.0857568, "FDA_Category_X_L1000_Similarity": -0.419424, "FDA_Category_X_Structural_Similarity": 0.194317, "FDA_Category_X_Weighted_Contribution": -0.136903, "FDA_Category_X_Top_Rank": -0.0733955, "FDA_Category_D_and_X_L1000_Similarity": 0.281419, "FDA_Category_D_and_X_Structural_Similarity": -0.0538225, "FDA_Category_D_and_X_Weighted_Contribution": -0.0393596, "FDA_Category_D_and_X_Top_Rank": -0.0873721, "Placenta_Crossing_L1000_Similarity": 0.364395, "Placenta_Crossing_Structural_Similarity": 0.0259316, "Placenta_Crossing_Weighted_Contribution": 0.0602036, "Placenta_Crossing_Top_Rank": -0.0817823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O", "InChI_key": "KYGZCKSPAKDVKC-UHFFFAOYSA-N" } }, "CID:4631": { "type": "Drug", "properties": { "id": "CID:4631", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4631", "label": "oxprenolol", "FDA_Category_D_L1000_Similarity": 1.24126, "FDA_Category_D_Structural_Similarity": -0.48221, "FDA_Category_D_Weighted_Contribution": 0.117424, "FDA_Category_D_Top_Rank": -0.0447149, "FDA_Category_X_L1000_Similarity": -0.0412943, "FDA_Category_X_Structural_Similarity": 0.965304, "FDA_Category_X_Weighted_Contribution": 0.869262, "FDA_Category_X_Top_Rank": -0.0427198, "FDA_Category_D_and_X_L1000_Similarity": 1.05744, "FDA_Category_D_and_X_Structural_Similarity": 0.138137, "FDA_Category_D_and_X_Weighted_Contribution": 0.5748, "FDA_Category_D_and_X_Top_Rank": -0.065637, "Placenta_Crossing_L1000_Similarity": 1.56374, "Placenta_Crossing_Structural_Similarity": 3.60503, "Placenta_Crossing_Weighted_Contribution": 3.7152, "Placenta_Crossing_Top_Rank": 0.376654, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(C)NCC(COC1=CC=CC=C1OCC=C)O", "InChI_key": "CEMAWMOMDPGJMB-UHFFFAOYSA-N" } }, "CID:4632": { "type": "Drug", "properties": { "id": "CID:4632", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4632", "label": "oxybenzone", "FDA_Category_D_L1000_Similarity": 1.98633, "FDA_Category_D_Structural_Similarity": 0.338281, "FDA_Category_D_Weighted_Contribution": 1.44851, "FDA_Category_D_Top_Rank": 0.188359, "FDA_Category_X_L1000_Similarity": 0.447421, "FDA_Category_X_Structural_Similarity": 2.12278, "FDA_Category_X_Weighted_Contribution": 2.42372, "FDA_Category_X_Top_Rank": 0.0559929, "FDA_Category_D_and_X_L1000_Similarity": 1.84813, "FDA_Category_D_and_X_Structural_Similarity": 1.41394, "FDA_Category_D_and_X_Weighted_Contribution": 2.35397, "FDA_Category_D_and_X_Top_Rank": 0.0438069, "Placenta_Crossing_L1000_Similarity": 1.37162, "Placenta_Crossing_Structural_Similarity": 0.0729331, "Placenta_Crossing_Weighted_Contribution": 0.619192, "Placenta_Crossing_Top_Rank": -0.050828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O", "InChI_key": "DXGLGDHPHMLXJC-UHFFFAOYSA-N" } }, "CID:4688": { "type": "Drug", "properties": { "id": "CID:4688", "label": "pargyline", "lsm": "LSM-3878", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4688", "FDA_Category_D_L1000_Similarity": 1.76332, "FDA_Category_D_Structural_Similarity": -0.366175, "FDA_Category_D_Weighted_Contribution": 0.544408, "FDA_Category_D_Top_Rank": 0.0600038, "FDA_Category_X_L1000_Similarity": 0.40278, "FDA_Category_X_Structural_Similarity": 2.41771, "FDA_Category_X_Weighted_Contribution": 2.69237, "FDA_Category_X_Top_Rank": 0.0969735, "FDA_Category_D_and_X_L1000_Similarity": 1.64233, "FDA_Category_D_and_X_Structural_Similarity": 1.01395, "FDA_Category_D_and_X_Weighted_Contribution": 1.84746, "FDA_Category_D_and_X_Top_Rank": -0.000875208, "Placenta_Crossing_L1000_Similarity": 1.18258, "Placenta_Crossing_Structural_Similarity": -0.449912, "Placenta_Crossing_Weighted_Contribution": 0.00300091, "Placenta_Crossing_Top_Rank": -0.0626085, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC#C)CC1=CC=CC=C1", "InChI_key": "DPWPWRLQFGFJFI-UHFFFAOYSA-N" } }, "CID:47510": { "type": "Drug", "properties": { "id": "CID:47510", "label": "lidamidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/47510", "FDA_Category_D_L1000_Similarity": 1.51432, "FDA_Category_D_Structural_Similarity": -0.921067, "FDA_Category_D_Weighted_Contribution": -0.144636, "FDA_Category_D_Top_Rank": -0.00530597, "FDA_Category_X_L1000_Similarity": 2.53939, "FDA_Category_X_Structural_Similarity": 0.937972, "FDA_Category_X_Weighted_Contribution": 2.28125, "FDA_Category_X_Top_Rank": 0.182826, "FDA_Category_D_and_X_L1000_Similarity": 2.07654, "FDA_Category_D_and_X_Structural_Similarity": -0.224938, "FDA_Category_D_and_X_Weighted_Contribution": 0.792287, "FDA_Category_D_and_X_Top_Rank": 0.133246, "Placenta_Crossing_L1000_Similarity": 2.068, "Placenta_Crossing_Structural_Similarity": 0.6174, "Placenta_Crossing_Weighted_Contribution": 1.5819, "Placenta_Crossing_Top_Rank": 0.0628279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4938": { "type": "Drug", "properties": { "id": "CID:4938", "label": "propentofylline", "lsm": "LSM-3315", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4938", "FDA_Category_D_L1000_Similarity": 1.41905, "FDA_Category_D_Structural_Similarity": -0.23605, "FDA_Category_D_Weighted_Contribution": 0.469859, "FDA_Category_D_Top_Rank": -0.0224804, "FDA_Category_X_L1000_Similarity": 1.57912, "FDA_Category_X_Structural_Similarity": -0.286135, "FDA_Category_X_Weighted_Contribution": 0.386082, "FDA_Category_X_Top_Rank": -0.0413344, "FDA_Category_D_and_X_L1000_Similarity": 1.7028, "FDA_Category_D_and_X_Structural_Similarity": -0.341753, "FDA_Category_D_and_X_Weighted_Contribution": 0.453798, "FDA_Category_D_and_X_Top_Rank": 0.0122548, "Placenta_Crossing_L1000_Similarity": 2.46227, "Placenta_Crossing_Structural_Similarity": 3.73112, "Placenta_Crossing_Weighted_Contribution": 3.9344, "Placenta_Crossing_Top_Rank": 0.417367, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C", "InChI_key": "RBQOQRRFDPXAGN-UHFFFAOYSA-N" } }, "CID:5281040": { "type": "Drug", "properties": { "id": "CID:5281040", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281040", "label": "montelukast", "FDA_Category_D_L1000_Similarity": 0.606366, "FDA_Category_D_Structural_Similarity": 1.4499, "FDA_Category_D_Weighted_Contribution": 1.776, "FDA_Category_D_Top_Rank": -0.022367, "FDA_Category_X_L1000_Similarity": -0.495199, "FDA_Category_X_Structural_Similarity": 0.158754, "FDA_Category_X_Weighted_Contribution": -0.205573, "FDA_Category_X_Top_Rank": -0.0748418, "FDA_Category_D_and_X_L1000_Similarity": 0.372315, "FDA_Category_D_and_X_Structural_Similarity": 1.23647, "FDA_Category_D_and_X_Weighted_Contribution": 1.33239, "FDA_Category_D_and_X_Top_Rank": -0.0367401, "Placenta_Crossing_L1000_Similarity": 1.78777, "Placenta_Crossing_Structural_Similarity": 0.155191, "Placenta_Crossing_Weighted_Contribution": 0.930693, "Placenta_Crossing_Top_Rank": -0.00248934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O", "InChI_key": "UCHDWCPVSPXUMX-TZIWLTJVSA-N" } }, "CID:5281707": { "type": "Drug", "properties": { "id": "CID:5281707", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281707", "label": "coumestrol", "FDA_Category_D_L1000_Similarity": 0.602027, "FDA_Category_D_Structural_Similarity": -0.254511, "FDA_Category_D_Weighted_Contribution": -0.0225985, "FDA_Category_D_Top_Rank": -0.0825865, "FDA_Category_X_L1000_Similarity": 0.619031, "FDA_Category_X_Structural_Similarity": -0.465411, "FDA_Category_X_Weighted_Contribution": -0.266564, "FDA_Category_X_Top_Rank": -0.0807191, "FDA_Category_D_and_X_L1000_Similarity": 0.706942, "FDA_Category_D_and_X_Structural_Similarity": -0.453142, "FDA_Category_D_and_X_Weighted_Contribution": -0.183564, "FDA_Category_D_and_X_Top_Rank": -0.0810268, "Placenta_Crossing_L1000_Similarity": 1.14337, "Placenta_Crossing_Structural_Similarity": -0.51358, "Placenta_Crossing_Weighted_Contribution": -0.0742629, "Placenta_Crossing_Top_Rank": -0.0647148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O", "InChI_key": "ZZIALNLLNHEQPJ-UHFFFAOYSA-N" } }, "CID:5288209": { "type": "Drug", "properties": { "id": "CID:5288209", "label": "fenretinide", "lsm": "LSM-2616", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5288209", "FDA_Category_D_L1000_Similarity": -1.56592, "FDA_Category_D_Structural_Similarity": -0.696974, "FDA_Category_D_Weighted_Contribution": -1.23856, "FDA_Category_D_Top_Rank": -0.0958286, "FDA_Category_X_L1000_Similarity": -1.45556, "FDA_Category_X_Structural_Similarity": 1.40512, "FDA_Category_X_Weighted_Contribution": 0.57212, "FDA_Category_X_Top_Rank": -0.0143318, "FDA_Category_D_and_X_L1000_Similarity": -1.79188, "FDA_Category_D_and_X_Structural_Similarity": 0.205001, "FDA_Category_D_and_X_Weighted_Contribution": -0.762595, "FDA_Category_D_and_X_Top_Rank": -0.0815542, "Placenta_Crossing_L1000_Similarity": -1.63002, "Placenta_Crossing_Structural_Similarity": 0.266116, "Placenta_Crossing_Weighted_Contribution": -0.597742, "Placenta_Crossing_Top_Rank": -0.0759878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C", "InChI_key": "AKJHMTWEGVYYSE-FXILSDISSA-N" } }, "CID:5312145": { "type": "Drug", "properties": { "id": "CID:5312145", "label": "ro-04-6790", "lsm": "LSM-2960", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312145", "FDA_Category_D_L1000_Similarity": 0.822169, "FDA_Category_D_Structural_Similarity": -0.178025, "FDA_Category_D_Weighted_Contribution": 0.174884, "FDA_Category_D_Top_Rank": -0.0748858, "FDA_Category_X_L1000_Similarity": -0.552974, "FDA_Category_X_Structural_Similarity": 1.34166, "FDA_Category_X_Weighted_Contribution": 1.00511, "FDA_Category_X_Top_Rank": -0.0183843, "FDA_Category_D_and_X_L1000_Similarity": 0.540794, "FDA_Category_D_and_X_Structural_Similarity": 0.582652, "FDA_Category_D_and_X_Weighted_Contribution": 0.736178, "FDA_Category_D_and_X_Top_Rank": -0.0715118, "Placenta_Crossing_L1000_Similarity": 1.24165, "Placenta_Crossing_Structural_Similarity": 1.77597, "Placenta_Crossing_Weighted_Contribution": 2.33409, "Placenta_Crossing_Top_Rank": 0.00743125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "JELFWSXQTXRMAJ-UHFFFAOYSA-N" } }, "CID:5318433": { "type": "Drug", "properties": { "id": "CID:5318433", "label": "indirubin", "lsm": "LSM-2390", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5318433", "FDA_Category_D_L1000_Similarity": 0.649141, "FDA_Category_D_Structural_Similarity": 0.552097, "FDA_Category_D_Weighted_Contribution": 0.827501, "FDA_Category_D_Top_Rank": -0.0693132, "FDA_Category_X_L1000_Similarity": 0.0337362, "FDA_Category_X_Structural_Similarity": 1.25571, "FDA_Category_X_Weighted_Contribution": 1.24147, "FDA_Category_X_Top_Rank": -0.0245305, "FDA_Category_D_and_X_L1000_Similarity": 0.569818, "FDA_Category_D_and_X_Structural_Similarity": 1.11578, "FDA_Category_D_and_X_Weighted_Contribution": 1.32172, "FDA_Category_D_and_X_Top_Rank": -0.0449861, "Placenta_Crossing_L1000_Similarity": -0.329844, "Placenta_Crossing_Structural_Similarity": 0.484366, "Placenta_Crossing_Weighted_Contribution": 0.162148, "Placenta_Crossing_Top_Rank": -0.0699764, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=C3C(=O)C4=CC=CC=C4N3)C(=O)N2", "InChI_key": "CRDNMYFJWFXOCH-YPKPFQOOSA-N" } }, "CID:5330535": { "type": "Drug", "properties": { "id": "CID:5330535", "label": "d-64406", "lsm": "LSM-2606", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5330535", "FDA_Category_D_L1000_Similarity": -1.13487, "FDA_Category_D_Structural_Similarity": -0.484468, "FDA_Category_D_Weighted_Contribution": -0.986782, "FDA_Category_D_Top_Rank": -0.0939291, "FDA_Category_X_L1000_Similarity": -3.12208, "FDA_Category_X_Structural_Similarity": 0.0861677, "FDA_Category_X_Weighted_Contribution": -1.21515, "FDA_Category_X_Top_Rank": -0.07755, "FDA_Category_D_and_X_L1000_Similarity": -1.9264, "FDA_Category_D_and_X_Structural_Similarity": -0.338033, "FDA_Category_D_and_X_Weighted_Contribution": -1.13152, "FDA_Category_D_and_X_Top_Rank": -0.0922318, "Placenta_Crossing_L1000_Similarity": -2.2436, "Placenta_Crossing_Structural_Similarity": -0.533656, "Placenta_Crossing_Weighted_Contribution": -1.26512, "Placenta_Crossing_Top_Rank": -0.0899828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=C(N2)C(=O)C3=CC4=C(N3)C=CC(=C4)O", "InChI_key": "AALNCHNFTKRFEL-UHFFFAOYSA-N" } }, "CID:5352062": { "type": "Drug", "properties": { "id": "CID:5352062", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5352062", "label": "romidepsin", "FDA_Category_D_L1000_Similarity": -0.755664, "FDA_Category_D_Structural_Similarity": 0.276827, "FDA_Category_D_Weighted_Contribution": -0.261458, "FDA_Category_D_Top_Rank": -0.0778571, "FDA_Category_X_L1000_Similarity": -1.29783, "FDA_Category_X_Structural_Similarity": -0.403091, "FDA_Category_X_Weighted_Contribution": -0.96492, "FDA_Category_X_Top_Rank": -0.0882546, "FDA_Category_D_and_X_L1000_Similarity": -1.04552, "FDA_Category_D_and_X_Structural_Similarity": 0.00221515, "FDA_Category_D_and_X_Weighted_Contribution": -0.609826, "FDA_Category_D_and_X_Top_Rank": -0.0862932, "Placenta_Crossing_L1000_Similarity": -0.968461, "Placenta_Crossing_Structural_Similarity": 0.552842, "Placenta_Crossing_Weighted_Contribution": -0.0787667, "Placenta_Crossing_Top_Rank": -0.0681601, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C", "InChI_key": "OHRURASPPZQGQM-GCCNXGTGSA-N" } }, "CID:5353593": { "type": "Drug", "properties": { "id": "CID:5353593", "label": "dmbi", "lsm": "LSM-2454", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353593", "FDA_Category_D_L1000_Similarity": -1.72317, "FDA_Category_X_L1000_Similarity": -0.309606, "FDA_Category_D_and_X_L1000_Similarity": -1.57942, "Placenta_Crossing_L1000_Similarity": -0.6402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O", "InChI_key": "UAKWLVYMKBWHMX-RVDMUPIBSA-N" } }, "CID:5383": { "type": "Drug", "properties": { "id": "CID:5383", "label": "tebuthiuron", "lsm": "LSM-2761", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5383", "FDA_Category_D_L1000_Similarity": 1.12147, "FDA_Category_D_Structural_Similarity": -0.970956, "FDA_Category_D_Weighted_Contribution": -0.388126, "FDA_Category_D_Top_Rank": -0.0562168, "FDA_Category_X_L1000_Similarity": 1.93121, "FDA_Category_X_Structural_Similarity": -0.763742, "FDA_Category_X_Weighted_Contribution": 0.0751515, "FDA_Category_X_Top_Rank": -0.000318215, "FDA_Category_D_and_X_L1000_Similarity": 1.55321, "FDA_Category_D_and_X_Structural_Similarity": -1.18277, "FDA_Category_D_and_X_Weighted_Contribution": -0.3992, "FDA_Category_D_and_X_Top_Rank": -0.0148429, "Placenta_Crossing_L1000_Similarity": 2.30242, "Placenta_Crossing_Structural_Similarity": -0.853488, "Placenta_Crossing_Weighted_Contribution": 0.159732, "Placenta_Crossing_Top_Rank": 0.157088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC", "InChI_key": "HBPDKDSFLXWOAE-UHFFFAOYSA-N" } }, "CID:5388962": { "type": "Drug", "properties": { "id": "CID:5388962", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5388962", "label": "enalapril", "FDA_Category_D_L1000_Similarity": 1.48828, "FDA_Category_X_L1000_Similarity": 3.48253, "FDA_Category_D_and_X_L1000_Similarity": 2.3405, "Placenta_Crossing_L1000_Similarity": 2.23566, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O", "InChI_key": "GBXSMTUPTTWBMN-XIRDDKMYSA-N" } }, "CID:54613797": { "type": "Drug", "properties": { "id": "CID:54613797", "label": "SA-440968", "lsm": "LSM-15085", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54613797", "FDA_Category_D_L1000_Similarity": -0.492878, "FDA_Category_D_Structural_Similarity": -0.273843, "FDA_Category_D_Weighted_Contribution": -0.586386, "FDA_Category_D_Top_Rank": -0.0909436, "FDA_Category_X_L1000_Similarity": 0.440377, "FDA_Category_X_Structural_Similarity": -0.0222459, "FDA_Category_X_Weighted_Contribution": 0.0706357, "FDA_Category_X_Top_Rank": -0.0803005, "FDA_Category_D_and_X_L1000_Similarity": -0.29113, "FDA_Category_D_and_X_Structural_Similarity": -0.229357, "FDA_Category_D_and_X_Weighted_Contribution": -0.463635, "FDA_Category_D_and_X_Top_Rank": -0.0906457, "Placenta_Crossing_L1000_Similarity": -0.10879, "Placenta_Crossing_Structural_Similarity": -0.288247, "Placenta_Crossing_Weighted_Contribution": -0.428155, "Placenta_Crossing_Top_Rank": -0.0873036, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658535": { "type": "Drug", "properties": { "id": "CID:54658535", "label": "SA-1459975", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658535", "FDA_Category_D_L1000_Similarity": -0.205634, "FDA_Category_D_Structural_Similarity": -0.647478, "FDA_Category_D_Weighted_Contribution": -0.737498, "FDA_Category_D_Top_Rank": -0.093721, "FDA_Category_X_L1000_Similarity": 0.575833, "FDA_Category_X_Structural_Similarity": -0.510244, "FDA_Category_X_Weighted_Contribution": -0.326211, "FDA_Category_X_Top_Rank": -0.0813735, "FDA_Category_D_and_X_L1000_Similarity": -0.00239815, "FDA_Category_D_and_X_Structural_Similarity": -0.789237, "FDA_Category_D_and_X_Weighted_Contribution": -0.756551, "FDA_Category_D_and_X_Top_Rank": -0.0922237, "Placenta_Crossing_L1000_Similarity": 0.84699, "Placenta_Crossing_Structural_Similarity": 0.21701, "Placenta_Crossing_Weighted_Contribution": 0.492424, "Placenta_Crossing_Top_Rank": -0.0750966, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54667404": { "type": "Drug", "properties": { "id": "CID:54667404", "label": "SA-1919877", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54667404", "FDA_Category_D_L1000_Similarity": -1.42179, "FDA_Category_D_Structural_Similarity": -0.687805, "FDA_Category_D_Weighted_Contribution": -1.19227, "FDA_Category_D_Top_Rank": -0.0957507, "FDA_Category_X_L1000_Similarity": 0.0993085, "FDA_Category_X_Structural_Similarity": -0.347595, "FDA_Category_X_Weighted_Contribution": -0.392757, "FDA_Category_X_Top_Rank": -0.0868631, "FDA_Category_D_and_X_L1000_Similarity": -1.19545, "FDA_Category_D_and_X_Structural_Similarity": -0.733481, "FDA_Category_D_and_X_Weighted_Contribution": -1.12411, "FDA_Category_D_and_X_Top_Rank": -0.0956045, "Placenta_Crossing_L1000_Similarity": -0.873041, "Placenta_Crossing_Structural_Similarity": 0.677341, "Placenta_Crossing_Weighted_Contribution": 0.0826862, "Placenta_Crossing_Top_Rank": -0.063793, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54668627": { "type": "Drug", "properties": { "id": "CID:54668627", "label": "SA-1922659", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54668627", "FDA_Category_D_L1000_Similarity": -1.59362, "FDA_Category_D_Structural_Similarity": -0.757994, "FDA_Category_D_Weighted_Contribution": -1.27518, "FDA_Category_D_Top_Rank": -0.0962586, "FDA_Category_X_L1000_Similarity": -0.717699, "FDA_Category_X_Structural_Similarity": -0.540056, "FDA_Category_X_Weighted_Contribution": -0.862023, "FDA_Category_X_Top_Rank": -0.0903489, "FDA_Category_D_and_X_L1000_Similarity": -1.59168, "FDA_Category_D_and_X_Structural_Similarity": -0.893042, "FDA_Category_D_and_X_Weighted_Contribution": -1.30524, "FDA_Category_D_and_X_Top_Rank": -0.0963533, "Placenta_Crossing_L1000_Similarity": -2.1243, "Placenta_Crossing_Structural_Similarity": 0.331479, "Placenta_Crossing_Weighted_Contribution": -0.732103, "Placenta_Crossing_Top_Rank": -0.0743244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54669462": { "type": "Drug", "properties": { "id": "CID:54669462", "label": "SA-1922796", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54669462", "FDA_Category_D_L1000_Similarity": -0.036212, "FDA_Category_X_L1000_Similarity": -1.18136, "FDA_Category_D_and_X_L1000_Similarity": -0.389972, "Placenta_Crossing_L1000_Similarity": -0.446692, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54677407": { "type": "Drug", "properties": { "id": "CID:54677407", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54677407", "label": "robustic-acid", "FDA_Category_D_L1000_Similarity": 1.83831, "FDA_Category_D_Structural_Similarity": 0.188468, "FDA_Category_D_Weighted_Contribution": 1.1899, "FDA_Category_D_Top_Rank": 0.0895652, "FDA_Category_X_L1000_Similarity": 0.721265, "FDA_Category_X_Structural_Similarity": -0.335463, "FDA_Category_X_Weighted_Contribution": -0.0979475, "FDA_Category_X_Top_Rank": -0.0787306, "FDA_Category_D_and_X_L1000_Similarity": 1.80369, "FDA_Category_D_and_X_Structural_Similarity": -0.0314251, "FDA_Category_D_and_X_Weighted_Contribution": 0.835157, "FDA_Category_D_and_X_Top_Rank": 0.0323775, "Placenta_Crossing_L1000_Similarity": 1.36111, "Placenta_Crossing_Structural_Similarity": 0.362245, "Placenta_Crossing_Weighted_Contribution": 0.920606, "Placenta_Crossing_Top_Rank": -0.0517273, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)C", "InChI_key": "MBZKDBQDALOSRP-UHFFFAOYSA-N" } }, "CID:54688261": { "type": "Drug", "properties": { "id": "CID:54688261", "label": "4-hydroxy-3-[(1s)-3-oxo-1-phenylbutyl]-2h-chromen-2-one", "lsm": "LSM-1405", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54688261", "IDG_ID": "2847", "FDA_Category_D_L1000_Similarity": 0.785232, "FDA_Category_D_Structural_Similarity": -0.708481, "FDA_Category_D_Weighted_Contribution": -0.332938, "FDA_Category_D_Top_Rank": -0.0765712, "FDA_Category_X_L1000_Similarity": 1.20895, "FDA_Category_X_Structural_Similarity": -0.751084, "FDA_Category_X_Weighted_Contribution": -0.257916, "FDA_Category_X_Top_Rank": -0.0636408, "FDA_Category_D_and_X_L1000_Similarity": 1.04402, "FDA_Category_D_and_X_Structural_Similarity": -0.967613, "FDA_Category_D_and_X_Weighted_Contribution": -0.455575, "FDA_Category_D_and_X_Top_Rank": -0.0663306, "Placenta_Crossing_L1000_Similarity": 1.84677, "Placenta_Crossing_Structural_Similarity": 2.65687, "Placenta_Crossing_Weighted_Contribution": 3.28456, "Placenta_Crossing_Top_Rank": 0.120012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O", "InChI_key": "PJVWKTKQMONHTI-HNNXBMFYSA-N" } }, "CID:54892": { "type": "Drug", "properties": { "id": "CID:54892", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54892", "label": "quinapril", "FDA_Category_D_L1000_Similarity": 0.600654, "FDA_Category_D_Structural_Similarity": 5.72012, "FDA_Category_D_Weighted_Contribution": 4.25607, "FDA_Category_D_Top_Rank": 1.63698, "FDA_Category_X_L1000_Similarity": 1.69258, "FDA_Category_X_Structural_Similarity": -0.607033, "FDA_Category_X_Weighted_Contribution": 0.11255, "FDA_Category_X_Top_Rank": -0.0313864, "FDA_Category_D_and_X_L1000_Similarity": 1.03179, "FDA_Category_D_and_X_Structural_Similarity": 4.21258, "FDA_Category_D_and_X_Weighted_Contribution": 3.83282, "FDA_Category_D_and_X_Top_Rank": 0.808359, "Placenta_Crossing_L1000_Similarity": -0.111719, "Placenta_Crossing_Structural_Similarity": 3.86059, "Placenta_Crossing_Weighted_Contribution": 3.413, "Placenta_Crossing_Top_Rank": 0.465713, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O", "InChI_key": "JSDRRTOADPPCHY-HSQYWUDLSA-N" } }, "CID:5496659": { "type": "Drug", "properties": { "id": "CID:5496659", "label": "otamixaban", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5496659", "FDA_Category_D_L1000_Similarity": 1.65135, "FDA_Category_D_Structural_Similarity": 0.276, "FDA_Category_D_Weighted_Contribution": 1.16587, "FDA_Category_D_Top_Rank": 0.0288768, "FDA_Category_X_L1000_Similarity": 0.632737, "FDA_Category_X_Structural_Similarity": -0.672669, "FDA_Category_X_Weighted_Contribution": -0.4427, "FDA_Category_X_Top_Rank": -0.0805362, "FDA_Category_D_and_X_L1000_Similarity": 1.61564, "FDA_Category_D_and_X_Structural_Similarity": -0.143905, "FDA_Category_D_and_X_Weighted_Contribution": 0.606731, "FDA_Category_D_and_X_Top_Rank": -0.00455535, "Placenta_Crossing_L1000_Similarity": 0.0790621, "Placenta_Crossing_Structural_Similarity": 1.08995, "Placenta_Crossing_Weighted_Contribution": 1.00376, "Placenta_Crossing_Top_Rank": -0.0460094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(CC1=CC(=CC=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-]", "InChI_key": "PFGVNLZDWRZPJW-OPAMFIHVSA-N" } }, "CID:59174488": { "type": "Drug", "properties": { "id": "CID:59174488", "label": "spebrutinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59174488", "FDA_Category_D_L1000_Similarity": -1.61487, "FDA_Category_D_Structural_Similarity": -0.248141, "FDA_Category_D_Weighted_Contribution": -1.01345, "FDA_Category_D_Top_Rank": -0.0904301, "FDA_Category_X_L1000_Similarity": -0.305281, "FDA_Category_X_Structural_Similarity": 0.274139, "FDA_Category_X_Weighted_Contribution": -0.00520489, "FDA_Category_X_Top_Rank": -0.0707701, "FDA_Category_D_and_X_L1000_Similarity": -1.48476, "FDA_Category_D_and_X_Structural_Similarity": -0.0490291, "FDA_Category_D_and_X_Weighted_Contribution": -0.817278, "FDA_Category_D_and_X_Top_Rank": -0.0872731, "Placenta_Crossing_L1000_Similarity": -0.167005, "Placenta_Crossing_Structural_Similarity": 0.335548, "Placenta_Crossing_Weighted_Contribution": 0.0983333, "Placenta_Crossing_Top_Rank": -0.0741853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F", "InChI_key": "KXBDTLQSDKGAEB-UHFFFAOYSA-N" } }, "CID:5918561": { "type": "Drug", "properties": { "id": "CID:5918561", "label": "st-024029", "lsm": "LSM-4325", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5918561", "FDA_Category_D_L1000_Similarity": 0.246176, "FDA_Category_X_L1000_Similarity": 1.48231, "FDA_Category_D_and_X_L1000_Similarity": 0.662367, "Placenta_Crossing_L1000_Similarity": 0.64, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C=CC3=CC=CC=N3", "InChI_key": "UIMTZSFVAUUJNX-CMDGGOBGSA-N" } }, "CID:59768": { "type": "Drug", "properties": { "id": "CID:59768", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/59768", "label": "esmolol", "ref": "LSM-4957", "FDA_Category_D_L1000_Similarity": 0.225481, "FDA_Category_D_Structural_Similarity": 0.128229, "FDA_Category_D_Weighted_Contribution": 0.13262, "FDA_Category_D_Top_Rank": -0.0817686, "FDA_Category_X_L1000_Similarity": 0.387812, "FDA_Category_X_Structural_Similarity": 1.05931, "FDA_Category_X_Weighted_Contribution": 1.21955, "FDA_Category_X_Top_Rank": -0.0374792, "FDA_Category_D_and_X_L1000_Similarity": 0.312134, "FDA_Category_D_and_X_Structural_Similarity": 0.673377, "FDA_Category_D_and_X_Weighted_Contribution": 0.696911, "FDA_Category_D_and_X_Top_Rank": -0.0681171, "Placenta_Crossing_L1000_Similarity": 0.00820049, "Placenta_Crossing_Structural_Similarity": 6.48723, "Placenta_Crossing_Weighted_Contribution": 4.25623, "Placenta_Crossing_Top_Rank": 2.90988, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O", "InChI_key": "AQNDDEOPVVGCPG-UHFFFAOYSA-N" } }, "CID:60187611": { "type": "Drug", "properties": { "id": "CID:60187611", "label": "SA-1939838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60187611", "FDA_Category_D_L1000_Similarity": 0.796603, "FDA_Category_D_Structural_Similarity": 1.93674, "FDA_Category_D_Weighted_Contribution": 2.38456, "FDA_Category_D_Top_Rank": 0.0386552, "FDA_Category_X_L1000_Similarity": 1.0732, "FDA_Category_X_Structural_Similarity": -0.534627, "FDA_Category_X_Weighted_Contribution": -0.119892, "FDA_Category_X_Top_Rank": -0.0690126, "FDA_Category_D_and_X_L1000_Similarity": 1.01259, "FDA_Category_D_and_X_Structural_Similarity": 1.24873, "FDA_Category_D_and_X_Weighted_Contribution": 1.72515, "FDA_Category_D_and_X_Top_Rank": -0.0355715, "Placenta_Crossing_L1000_Similarity": 1.07302, "Placenta_Crossing_Structural_Similarity": 1.02187, "Placenta_Crossing_Weighted_Contribution": 1.47454, "Placenta_Crossing_Top_Rank": -0.0492347, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60751": { "type": "Drug", "properties": { "id": "CID:60751", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60751", "label": "temoporfin", "FDA_Category_D_L1000_Similarity": -0.954204, "FDA_Category_D_Structural_Similarity": 0.908632, "FDA_Category_D_Weighted_Contribution": 0.220797, "FDA_Category_D_Top_Rank": -0.0549574, "FDA_Category_X_L1000_Similarity": 1.66782, "FDA_Category_X_Structural_Similarity": -0.683811, "FDA_Category_X_Weighted_Contribution": 0.0236824, "FDA_Category_X_Top_Rank": -0.0333702, "FDA_Category_D_and_X_L1000_Similarity": -0.316053, "FDA_Category_D_and_X_Structural_Similarity": 0.352212, "FDA_Category_D_and_X_Weighted_Contribution": 0.0263559, "FDA_Category_D_and_X_Top_Rank": -0.0782617, "Placenta_Crossing_L1000_Similarity": 0.488178, "Placenta_Crossing_Structural_Similarity": 0.589312, "Placenta_Crossing_Weighted_Contribution": 0.690849, "Placenta_Crossing_Top_Rank": -0.0670267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "LYPFDBRUNKHDGX-LWQDQPMZSA-N" } }, "CID:60769": { "type": "Drug", "properties": { "id": "CID:60769", "label": "mdl-73005ef", "lsm": "LSM-1611", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60769", "FDA_Category_D_L1000_Similarity": 0.958277, "FDA_Category_D_Structural_Similarity": -0.62258, "FDA_Category_D_Weighted_Contribution": -0.169113, "FDA_Category_D_Top_Rank": -0.067924, "FDA_Category_X_L1000_Similarity": -0.104225, "FDA_Category_X_Structural_Similarity": 0.0400571, "FDA_Category_X_Weighted_Contribution": -0.133628, "FDA_Category_X_Top_Rank": -0.0787986, "FDA_Category_D_and_X_L1000_Similarity": 0.79441, "FDA_Category_D_and_X_Structural_Similarity": -0.472535, "FDA_Category_D_and_X_Weighted_Contribution": -0.157453, "FDA_Category_D_and_X_Top_Rank": -0.0779914, "Placenta_Crossing_L1000_Similarity": 1.21289, "Placenta_Crossing_Structural_Similarity": -0.251265, "Placenta_Crossing_Weighted_Contribution": 0.208009, "Placenta_Crossing_Top_Rank": -0.0610342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC2(C1)CC(=O)N(C(=O)C2)CCNCC3COC4=CC=CC=C4O3", "InChI_key": "BVMYCHKQPGEOSI-UHFFFAOYSA-N" } }, "CID:60910": { "type": "Drug", "properties": { "id": "CID:60910", "label": "mifobate", "lsm": "LSM-1761", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60910", "FDA_Category_D_L1000_Similarity": 0.872954, "FDA_Category_D_Structural_Similarity": -0.66983, "FDA_Category_D_Weighted_Contribution": -0.255313, "FDA_Category_D_Top_Rank": -0.0726762, "FDA_Category_X_L1000_Similarity": 0.746063, "FDA_Category_X_Structural_Similarity": -0.725151, "FDA_Category_X_Weighted_Contribution": -0.439102, "FDA_Category_X_Top_Rank": -0.0781325, "FDA_Category_D_and_X_L1000_Similarity": 0.979072, "FDA_Category_D_and_X_Structural_Similarity": -0.922942, "FDA_Category_D_and_X_Weighted_Contribution": -0.449014, "FDA_Category_D_and_X_Top_Rank": -0.0703261, "Placenta_Crossing_L1000_Similarity": 1.40426, "Placenta_Crossing_Structural_Similarity": -0.389137, "Placenta_Crossing_Weighted_Contribution": 0.168189, "Placenta_Crossing_Top_Rank": -0.0476733, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC", "InChI_key": "VQHUQHAPWMNBLP-UHFFFAOYSA-N" } }, "CID:60953": { "type": "Drug", "properties": { "id": "CID:60953", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60953", "label": "capecitabine", "ref": "LSM-5705", "FDA_Category_D_L1000_Similarity": 1.70863, "FDA_Category_D_Structural_Similarity": -0.604581, "FDA_Category_D_Weighted_Contribution": 0.266807, "FDA_Category_D_Top_Rank": 0.044487, "FDA_Category_X_L1000_Similarity": 2.35504, "FDA_Category_X_Structural_Similarity": -0.63969, "FDA_Category_X_Weighted_Contribution": 0.423073, "FDA_Category_X_Top_Rank": 0.0969735, "FDA_Category_D_and_X_L1000_Similarity": 2.18804, "FDA_Category_D_and_X_Structural_Similarity": -0.825038, "FDA_Category_D_and_X_Weighted_Contribution": 0.24292, "FDA_Category_D_and_X_Top_Rank": 0.207326, "Placenta_Crossing_L1000_Similarity": 1.62161, "Placenta_Crossing_Structural_Similarity": -0.890145, "Placenta_Crossing_Weighted_Contribution": -0.194623, "Placenta_Crossing_Top_Rank": -0.0262252, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O", "InChI_key": "GAGWJHPBXLXJQN-UORFTKCHSA-N" } }, "CID:6410758": { "type": "Drug", "properties": { "id": "CID:6410758", "label": "cefatrizine", "lsm": "LSM-6052", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6410758", "FDA_Category_D_L1000_Similarity": -0.0520481, "FDA_Category_D_Structural_Similarity": 1.56062, "FDA_Category_D_Weighted_Contribution": 1.47976, "FDA_Category_D_Top_Rank": -0.0105128, "FDA_Category_X_L1000_Similarity": 0.208178, "FDA_Category_X_Structural_Similarity": -0.529795, "FDA_Category_X_Weighted_Contribution": -0.501195, "FDA_Category_X_Top_Rank": -0.0858594, "FDA_Category_D_and_X_L1000_Similarity": 0.0183525, "FDA_Category_D_and_X_Structural_Similarity": 0.952806, "FDA_Category_D_and_X_Weighted_Contribution": 0.817631, "FDA_Category_D_and_X_Top_Rank": -0.0557072, "Placenta_Crossing_L1000_Similarity": 0.0567153, "Placenta_Crossing_Structural_Similarity": 1.31576, "Placenta_Crossing_Weighted_Contribution": 1.23543, "Placenta_Crossing_Top_Rank": -0.0317236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4", "InChI_key": "UOCJDOLVGGIYIQ-PBFPGSCMSA-N" } }, "CID:644241": { "type": "Drug", "properties": { "id": "CID:644241", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID644241", "label": "nilotinib", "FDA_Category_D_L1000_Similarity": 0.897625, "FDA_Category_D_Structural_Similarity": -0.497012, "FDA_Category_D_Weighted_Contribution": -0.0871334, "FDA_Category_D_Top_Rank": -0.0715628, "FDA_Category_X_L1000_Similarity": 0.768629, "FDA_Category_X_Structural_Similarity": -0.140853, "FDA_Category_X_Weighted_Contribution": 0.11641, "FDA_Category_X_Top_Rank": -0.0777328, "FDA_Category_D_and_X_L1000_Similarity": 1.00719, "FDA_Category_D_and_X_Structural_Similarity": -0.470488, "FDA_Category_D_and_X_Weighted_Contribution": -0.0483469, "FDA_Category_D_and_X_Top_Rank": -0.0687019, "Placenta_Crossing_L1000_Similarity": 1.26809, "Placenta_Crossing_Structural_Similarity": -0.678708, "Placenta_Crossing_Weighted_Contribution": -0.166192, "Placenta_Crossing_Top_Rank": -0.0578569, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5", "InChI_key": "HHZIURLSWUIHRB-UHFFFAOYSA-N" } }, "CID:65599": { "type": "Drug", "properties": { "id": "CID:65599", "label": "lomifylline", "lsm": "LSM-5748", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65599", "FDA_Category_D_L1000_Similarity": -0.493099, "FDA_Category_D_Structural_Similarity": -0.199438, "FDA_Category_D_Weighted_Contribution": -0.528847, "FDA_Category_D_Top_Rank": -0.089456, "FDA_Category_X_L1000_Similarity": 0.363286, "FDA_Category_X_Structural_Similarity": -0.266212, "FDA_Category_X_Weighted_Contribution": -0.201294, "FDA_Category_X_Top_Rank": -0.0842278, "FDA_Category_D_and_X_L1000_Similarity": -0.314741, "FDA_Category_D_and_X_Structural_Similarity": -0.301943, "FDA_Category_D_and_X_Weighted_Contribution": -0.530446, "FDA_Category_D_and_X_Top_Rank": -0.0917513, "Placenta_Crossing_L1000_Similarity": 0.559647, "Placenta_Crossing_Structural_Similarity": 3.85999, "Placenta_Crossing_Weighted_Contribution": 3.59642, "Placenta_Crossing_Top_Rank": 0.459898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C", "InChI_key": "XBEDAMVJWVPVDS-UHFFFAOYSA-N" } }, "CID:657237": { "type": "Drug", "properties": { "id": "CID:657237", "label": "fludarabine", "lsm": "LSM-5747", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/657237", "FDA_Category_D_L1000_Similarity": 2.63407, "FDA_Category_X_L1000_Similarity": -0.0325441, "FDA_Category_D_and_X_L1000_Similarity": 2.26073, "Placenta_Crossing_L1000_Similarity": 2.14801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N", "InChI_key": "HBUBKKRHXORPQB-FJFJXFQQSA-N" } }, "CID:659840": { "type": "Drug", "properties": { "id": "CID:659840", "label": "vesamicol", "lsm": "LSM-2313", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/659840", "FDA_Category_D_L1000_Similarity": 1.09682, "FDA_Category_D_Structural_Similarity": -0.773964, "FDA_Category_D_Weighted_Contribution": -0.231652, "FDA_Category_D_Top_Rank": -0.0585826, "FDA_Category_X_L1000_Similarity": 0.734318, "FDA_Category_X_Structural_Similarity": -0.593068, "FDA_Category_X_Weighted_Contribution": -0.329334, "FDA_Category_X_Top_Rank": -0.0783974, "FDA_Category_D_and_X_L1000_Similarity": 1.16847, "FDA_Category_D_and_X_Structural_Similarity": -0.934323, "FDA_Category_D_and_X_Weighted_Contribution": -0.372456, "FDA_Category_D_and_X_Top_Rank": -0.0574368, "Placenta_Crossing_L1000_Similarity": 2.06426, "Placenta_Crossing_Structural_Similarity": -0.942184, "Placenta_Crossing_Weighted_Contribution": -0.0388019, "Placenta_Crossing_Top_Rank": 0.0623497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O", "InChI_key": "YSSBJODGIYRAMI-IAGOWNOFSA-N" } }, "CID:6604789": { "type": "Drug", "properties": { "id": "CID:6604789", "label": "rs-56812", "lsm": "LSM-2460", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604789", "FDA_Category_D_L1000_Similarity": 1.67695, "FDA_Category_D_Structural_Similarity": -0.788772, "FDA_Category_D_Weighted_Contribution": 0.0677607, "FDA_Category_D_Top_Rank": 0.0339177, "FDA_Category_X_L1000_Similarity": -0.356003, "FDA_Category_X_Structural_Similarity": -0.499653, "FDA_Category_X_Weighted_Contribution": -0.701467, "FDA_Category_X_Top_Rank": -0.0895135, "FDA_Category_D_and_X_L1000_Similarity": 1.33744, "FDA_Category_D_and_X_Structural_Similarity": -0.895669, "FDA_Category_D_and_X_Weighted_Contribution": -0.260731, "FDA_Category_D_and_X_Top_Rank": -0.0436038, "Placenta_Crossing_L1000_Similarity": 0.496073, "Placenta_Crossing_Structural_Similarity": -0.874296, "Placenta_Crossing_Weighted_Contribution": -0.64361, "Placenta_Crossing_Top_Rank": -0.0830473, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NC3CN4CCC3CC4", "InChI_key": "ZNAPADWWBWFMCQ-HNNXBMFYSA-N" } }, "CID:6610281": { "type": "Drug", "properties": { "id": "CID:6610281", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6610281", "label": "Lithium-chloride", "FDA_Category_D_L1000_Similarity": 0.124645, "FDA_Category_D_Structural_Similarity": -0.531839, "FDA_Category_D_Weighted_Contribution": -0.505696, "FDA_Category_D_Top_Rank": -0.091022, "FDA_Category_X_L1000_Similarity": -0.154902, "FDA_Category_X_Structural_Similarity": 3.8901, "FDA_Category_X_Weighted_Contribution": 3.62846, "FDA_Category_X_Top_Rank": 0.497554, "FDA_Category_D_and_X_L1000_Similarity": 0.0604071, "FDA_Category_D_and_X_Structural_Similarity": 1.67695, "FDA_Category_D_and_X_Weighted_Contribution": 1.6146, "FDA_Category_D_and_X_Top_Rank": 0.00211872, "Placenta_Crossing_L1000_Similarity": 1.45902, "Placenta_Crossing_Structural_Similarity": 2.08877, "Placenta_Crossing_Weighted_Contribution": 2.71529, "Placenta_Crossing_Top_Rank": 0.0394544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6610344": { "type": "Drug", "properties": { "id": "CID:6610344", "label": "forskolin", "lsm": "LSM-2193", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610344", "FDA_Category_D_L1000_Similarity": -0.454494, "FDA_Category_X_L1000_Similarity": 0.629124, "FDA_Category_D_and_X_L1000_Similarity": -0.200723, "Placenta_Crossing_L1000_Similarity": 0.633244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O", "InChI_key": "OHCQJHSOBUTRHG-ZYIXGEAZSA-N" } }, "CID:6697": { "type": "Drug", "properties": { "id": "CID:6697", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6697", "label": "benzanthrone", "FDA_Category_D_L1000_Similarity": 0.893799, "FDA_Category_D_Structural_Similarity": 0.165936, "FDA_Category_D_Weighted_Contribution": 0.568483, "FDA_Category_D_Top_Rank": -0.0717868, "FDA_Category_X_L1000_Similarity": -1.03928, "FDA_Category_X_Structural_Similarity": -0.444498, "FDA_Category_X_Weighted_Contribution": -0.906709, "FDA_Category_X_Top_Rank": -0.0889682, "FDA_Category_D_and_X_L1000_Similarity": 0.454852, "FDA_Category_D_and_X_Structural_Similarity": -0.108144, "FDA_Category_D_and_X_Weighted_Contribution": 0.000146771, "FDA_Category_D_and_X_Top_Rank": -0.0865388, "Placenta_Crossing_L1000_Similarity": 0.729849, "Placenta_Crossing_Structural_Similarity": -0.956678, "Placenta_Crossing_Weighted_Contribution": -0.616873, "Placenta_Crossing_Top_Rank": -0.0781668, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O", "InChI_key": "HUKPVYBUJRAUAG-UHFFFAOYSA-N" } }, "CID:6732844": { "type": "Drug", "properties": { "id": "CID:6732844", "label": "st-023431", "lsm": "LSM-4327", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6732844", "FDA_Category_D_L1000_Similarity": 1.09557, "FDA_Category_X_L1000_Similarity": -0.792099, "FDA_Category_D_and_X_L1000_Similarity": 0.703852, "Placenta_Crossing_L1000_Similarity": 1.00356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCCC(C1CCC3=CC(C(CC23)O)(C)C=C)(C)C(=O)O", "InChI_key": "UAXNLFQWKCSHGV-TXPIITFASA-N" } }, "CID:689043": { "type": "Drug", "properties": { "id": "CID:689043", "label": "3,4-dihydroxycinnamic acid", "lsm": "LSM-5272", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/689043", "FDA_Category_D_L1000_Similarity": -2.27707, "FDA_Category_D_Structural_Similarity": -0.643857, "FDA_Category_D_Weighted_Contribution": -1.39892, "FDA_Category_D_Top_Rank": -0.0954237, "FDA_Category_X_L1000_Similarity": 0.0792211, "FDA_Category_X_Structural_Similarity": -0.522915, "FDA_Category_X_Weighted_Contribution": -0.548608, "FDA_Category_X_Top_Rank": -0.0869956, "FDA_Category_D_and_X_L1000_Similarity": -1.93881, "FDA_Category_D_and_X_Structural_Similarity": -0.793201, "FDA_Category_D_and_X_Weighted_Contribution": -1.34506, "FDA_Category_D_and_X_Top_Rank": -0.0959227, "Placenta_Crossing_L1000_Similarity": -1.91307, "Placenta_Crossing_Structural_Similarity": 3.5569, "Placenta_Crossing_Weighted_Contribution": 2.50205, "Placenta_Crossing_Top_Rank": 0.372524, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=CC(=O)O)O)O", "InChI_key": "QAIPRVGONGVQAS-DUXPYHPUSA-N" } }, "CID:6913176": { "type": "Drug", "properties": { "id": "CID:6913176", "label": "NXY-059", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6913176", "FDA_Category_D_L1000_Similarity": 1.3625, "FDA_Category_D_Structural_Similarity": -0.344447, "FDA_Category_D_Weighted_Contribution": 0.324703, "FDA_Category_D_Top_Rank": -0.0303513, "FDA_Category_X_L1000_Similarity": 0.670987, "FDA_Category_X_Structural_Similarity": -0.360924, "FDA_Category_X_Weighted_Contribution": -0.145949, "FDA_Category_X_Top_Rank": -0.0797699, "FDA_Category_D_and_X_L1000_Similarity": 1.37826, "FDA_Category_D_and_X_Structural_Similarity": -0.468145, "FDA_Category_D_and_X_Weighted_Contribution": 0.148816, "FDA_Category_D_and_X_Top_Rank": -0.0397373, "Placenta_Crossing_L1000_Similarity": 1.76442, "Placenta_Crossing_Structural_Similarity": 0.668562, "Placenta_Crossing_Weighted_Contribution": 1.4718, "Placenta_Crossing_Top_Rank": -0.00544828, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6918638": { "type": "Drug", "properties": { "id": "CID:6918638", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918638", "label": "belinostat", "FDA_Category_D_L1000_Similarity": -1.20099, "FDA_Category_D_Structural_Similarity": -0.122481, "FDA_Category_D_Weighted_Contribution": -0.777933, "FDA_Category_D_Top_Rank": -0.0880795, "FDA_Category_X_L1000_Similarity": -1.00703, "FDA_Category_X_Structural_Similarity": -0.6102, "FDA_Category_X_Weighted_Contribution": -1.00437, "FDA_Category_X_Top_Rank": -0.0911736, "FDA_Category_D_and_X_L1000_Similarity": -1.34109, "FDA_Category_D_and_X_Structural_Similarity": -0.426477, "FDA_Category_D_and_X_Weighted_Contribution": -1.00045, "FDA_Category_D_and_X_Top_Rank": -0.093248, "Placenta_Crossing_L1000_Similarity": -1.08569, "Placenta_Crossing_Structural_Similarity": -0.52532, "Placenta_Crossing_Weighted_Contribution": -0.947833, "Placenta_Crossing_Top_Rank": -0.0899075, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO", "InChI_key": "NCNRHFGMJRPRSK-MDZDMXLPSA-N" } }, "CID:691868": { "type": "Drug", "properties": { "id": "CID:691868", "label": "st-4029010", "lsm": "LSM-4786", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/691868", "FDA_Category_D_L1000_Similarity": 0.376596, "FDA_Category_D_Structural_Similarity": -0.751402, "FDA_Category_D_Weighted_Contribution": -0.562101, "FDA_Category_D_Top_Rank": -0.0875823, "FDA_Category_X_L1000_Similarity": 1.82761, "FDA_Category_X_Structural_Similarity": -0.32468, "FDA_Category_X_Weighted_Contribution": 0.477882, "FDA_Category_X_Top_Rank": -0.015099, "FDA_Category_D_and_X_L1000_Similarity": 0.879641, "FDA_Category_D_and_X_Structural_Similarity": -0.771594, "FDA_Category_D_and_X_Weighted_Contribution": -0.371782, "FDA_Category_D_and_X_Top_Rank": -0.0749106, "Placenta_Crossing_L1000_Similarity": 1.1533, "Placenta_Crossing_Structural_Similarity": 0.442872, "Placenta_Crossing_Weighted_Contribution": 0.894015, "Placenta_Crossing_Top_Rank": -0.0642279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NN=CS2", "InChI_key": "ZILKGLDSYYFWJP-UHFFFAOYSA-N" } }, "CID:6918736": { "type": "Drug", "properties": { "id": "CID:6918736", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918736", "label": "rigosertib", "FDA_Category_D_L1000_Similarity": 0.387717, "FDA_Category_D_Structural_Similarity": 1.10307, "FDA_Category_D_Weighted_Contribution": 1.26124, "FDA_Category_D_Top_Rank": -0.0454773, "FDA_Category_X_L1000_Similarity": -1.2956, "FDA_Category_X_Structural_Similarity": -0.614332, "FDA_Category_X_Weighted_Contribution": -1.09515, "FDA_Category_X_Top_Rank": -0.0912117, "FDA_Category_D_and_X_L1000_Similarity": -0.0592295, "FDA_Category_D_and_X_Structural_Similarity": 0.544034, "FDA_Category_D_and_X_Weighted_Contribution": 0.351078, "FDA_Category_D_and_X_Top_Rank": -0.0725338, "Placenta_Crossing_L1000_Similarity": -1.29468, "Placenta_Crossing_Structural_Similarity": 1.52285, "Placenta_Crossing_Weighted_Contribution": 0.721561, "Placenta_Crossing_Top_Rank": -0.0181072, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)NCC(=O)O", "InChI_key": "OWBFCJROIKNMGD-BQYQJAHWSA-N" } }, "CID:6918837": { "type": "Drug", "properties": { "id": "CID:6918837", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918837", "label": "panobinostat", "FDA_Category_D_L1000_Similarity": -0.747415, "FDA_Category_X_L1000_Similarity": -1.18317, "FDA_Category_D_and_X_L1000_Similarity": -1.00359, "Placenta_Crossing_L1000_Similarity": -0.850869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO", "InChI_key": "FPOHNWQLNRZRFC-ZHACJKMWSA-N" } }, "CID:71271629": { "type": "Drug", "properties": { "id": "CID:71271629", "label": "PFI-1", "lsm": "LSM-6331", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71271629", "FDA_Category_D_L1000_Similarity": -0.198471, "FDA_Category_D_Structural_Similarity": -0.832461, "FDA_Category_D_Weighted_Contribution": -0.860732, "FDA_Category_D_Top_Rank": -0.0936791, "FDA_Category_X_L1000_Similarity": -0.186853, "FDA_Category_X_Structural_Similarity": 2.16603, "FDA_Category_X_Weighted_Contribution": 2.13693, "FDA_Category_X_Top_Rank": 0.0618968, "FDA_Category_D_and_X_L1000_Similarity": -0.227827, "FDA_Category_D_and_X_Structural_Similarity": 0.508048, "FDA_Category_D_and_X_Weighted_Contribution": 0.222234, "FDA_Category_D_and_X_Top_Rank": -0.0736128, "Placenta_Crossing_L1000_Similarity": 0.642246, "Placenta_Crossing_Structural_Similarity": -0.983091, "Placenta_Crossing_Weighted_Contribution": -0.668846, "Placenta_Crossing_Top_Rank": -0.080122, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:720272": { "type": "Drug", "properties": { "id": "CID:720272", "label": "st-012015", "lsm": "LSM-4628", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/720272", "FDA_Category_D_L1000_Similarity": 0.401583, "FDA_Category_D_Structural_Similarity": -0.538185, "FDA_Category_D_Weighted_Contribution": -0.378771, "FDA_Category_D_Top_Rank": -0.0871806, "FDA_Category_X_L1000_Similarity": 1.02098, "FDA_Category_X_Structural_Similarity": 0.0114054, "FDA_Category_X_Weighted_Contribution": 0.405489, "FDA_Category_X_Top_Rank": -0.0708517, "FDA_Category_D_and_X_L1000_Similarity": 0.656219, "FDA_Category_D_and_X_Structural_Similarity": -0.42101, "FDA_Category_D_and_X_Weighted_Contribution": -0.180318, "FDA_Category_D_and_X_Top_Rank": -0.0823069, "Placenta_Crossing_L1000_Similarity": 1.39484, "Placenta_Crossing_Structural_Similarity": 0.0376391, "Placenta_Crossing_Weighted_Contribution": 0.594613, "Placenta_Crossing_Top_Rank": -0.048876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC=C(C=C1)C=C2CSC(=S)NC2=O", "InChI_key": "JJIHTWZCDRSIKT-JXMROGBWSA-N" } }, "CID:73707378": { "type": "Drug", "properties": { "id": "CID:73707378", "label": "triacsin-c", "lsm": "LSM-6275", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707378", "FDA_Category_D_L1000_Similarity": 0.237426, "FDA_Category_D_Structural_Similarity": -0.911404, "FDA_Category_D_Weighted_Contribution": -0.74066, "FDA_Category_D_Top_Rank": -0.089674, "FDA_Category_X_L1000_Similarity": 4.12508, "FDA_Category_X_Structural_Similarity": -0.385588, "FDA_Category_X_Weighted_Contribution": 1.70299, "FDA_Category_X_Top_Rank": 4.82857, "FDA_Category_D_and_X_L1000_Similarity": 1.45737, "FDA_Category_D_and_X_Structural_Similarity": -0.931455, "FDA_Category_D_and_X_Weighted_Contribution": -0.233725, "FDA_Category_D_and_X_Top_Rank": -0.0289549, "Placenta_Crossing_L1000_Similarity": 1.6781, "Placenta_Crossing_Structural_Similarity": -0.885229, "Placenta_Crossing_Weighted_Contribution": -0.164873, "Placenta_Crossing_Top_Rank": -0.0181072, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC=CCC=CC=CC=NN[NH2+][O-]", "InChI_key": "DQMOSRDZWQSBHC-YLEPRARLSA-N" } }, "CID:73707549": { "type": "Drug", "properties": { "id": "CID:73707549", "label": "BG-1010", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707549", "FDA_Category_D_L1000_Similarity": -1.52546, "FDA_Category_D_Structural_Similarity": -0.350368, "FDA_Category_D_Weighted_Contribution": -1.04255, "FDA_Category_D_Top_Rank": -0.0922166, "FDA_Category_X_L1000_Similarity": -1.55406, "FDA_Category_X_Structural_Similarity": -0.607159, "FDA_Category_X_Weighted_Contribution": -1.1653, "FDA_Category_X_Top_Rank": -0.0911463, "FDA_Category_D_and_X_L1000_Similarity": -1.7869, "FDA_Category_D_and_X_Structural_Similarity": -0.605712, "FDA_Category_D_and_X_Weighted_Contribution": -1.22507, "FDA_Category_D_and_X_Top_Rank": -0.0948287, "Placenta_Crossing_L1000_Similarity": -1.82878, "Placenta_Crossing_Structural_Similarity": -0.531679, "Placenta_Crossing_Weighted_Contribution": -1.16216, "Placenta_Crossing_Top_Rank": -0.0899621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:7427": { "type": "Drug", "properties": { "id": "CID:7427", "label": "trehalose", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7427", "FDA_Category_D_L1000_Similarity": -0.126448, "FDA_Category_D_Structural_Similarity": 0.0852834, "FDA_Category_D_Weighted_Contribution": -0.103117, "FDA_Category_D_Top_Rank": -0.0829617, "FDA_Category_X_L1000_Similarity": -0.696078, "FDA_Category_X_Structural_Similarity": -0.493543, "FDA_Category_X_Weighted_Contribution": -0.821812, "FDA_Category_X_Top_Rank": -0.0897141, "FDA_Category_D_and_X_L1000_Similarity": -0.320383, "FDA_Category_D_and_X_Structural_Similarity": -0.198623, "FDA_Category_D_and_X_Weighted_Contribution": -0.452281, "FDA_Category_D_and_X_Top_Rank": -0.0902035, "Placenta_Crossing_L1000_Similarity": 0.765369, "Placenta_Crossing_Structural_Similarity": -0.314792, "Placenta_Crossing_Weighted_Contribution": -0.0678311, "Placenta_Crossing_Top_Rank": -0.0773222, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O", "InChI_key": "HDTRYLNUVZCQOY-LIZSDCNHSA-N" } }, "CID:761523": { "type": "Drug", "properties": { "id": "CID:761523", "label": "m-3m3fbs", "lsm": "LSM-2196", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/761523", "FDA_Category_D_L1000_Similarity": 1.1631, "FDA_Category_D_Structural_Similarity": -0.555863, "FDA_Category_D_Weighted_Contribution": 0.00300672, "FDA_Category_D_Top_Rank": -0.0522692, "FDA_Category_X_L1000_Similarity": -1.33557, "FDA_Category_X_Structural_Similarity": -0.114263, "FDA_Category_X_Weighted_Contribution": -0.779236, "FDA_Category_X_Top_Rank": -0.0826657, "FDA_Category_D_and_X_L1000_Similarity": 0.597017, "FDA_Category_D_and_X_Structural_Similarity": -0.502852, "FDA_Category_D_and_X_Weighted_Contribution": -0.279681, "FDA_Category_D_and_X_Top_Rank": -0.0835064, "Placenta_Crossing_L1000_Similarity": 1.117, "Placenta_Crossing_Structural_Similarity": -0.151683, "Placenta_Crossing_Weighted_Contribution": 0.258197, "Placenta_Crossing_Top_Rank": -0.065999, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C", "InChI_key": "ZIIUUSVHCHPIQD-UHFFFAOYSA-N" } }, "CID:7972413": { "type": "Drug", "properties": { "id": "CID:7972413", "label": "kb188-iii-56", "lsm": "LSM-4709", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7972413", "FDA_Category_D_L1000_Similarity": 0.868543, "FDA_Category_X_L1000_Similarity": 3.12584, "FDA_Category_D_and_X_L1000_Similarity": 1.69795, "Placenta_Crossing_L1000_Similarity": 1.71547, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=CC=CC=C4C=C3)C#N", "InChI_key": "ORBXXOSCLKRHMA-RCCKNPSSSA-N" } }, "CID:82148": { "type": "Drug", "properties": { "id": "CID:82148", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID82148", "label": "agomelatine", "FDA_Category_D_L1000_Similarity": 1.59409, "FDA_Category_D_Structural_Similarity": -0.711168, "FDA_Category_D_Weighted_Contribution": 0.0957717, "FDA_Category_D_Top_Rank": 0.0121769, "FDA_Category_X_L1000_Similarity": 0.401237, "FDA_Category_X_Structural_Similarity": -0.451894, "FDA_Category_X_Weighted_Contribution": -0.351874, "FDA_Category_X_Top_Rank": -0.0837563, "FDA_Category_D_and_X_L1000_Similarity": 1.49598, "FDA_Category_D_and_X_Structural_Similarity": -0.808304, "FDA_Category_D_and_X_Weighted_Contribution": -0.106173, "FDA_Category_D_and_X_Top_Rank": -0.0242799, "Placenta_Crossing_L1000_Similarity": 2.22408, "Placenta_Crossing_Structural_Similarity": 0.208539, "Placenta_Crossing_Weighted_Contribution": 1.2271, "Placenta_Crossing_Top_Rank": 0.123591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC", "InChI_key": "YJYPHIXNFHFHND-UHFFFAOYSA-N" } }, "CID:8616": { "type": "Drug", "properties": { "id": "CID:8616", "label": "peucedanin", "lsm": "LSM-3618", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8616", "FDA_Category_D_L1000_Similarity": 1.8337, "FDA_Category_D_Structural_Similarity": 0.133869, "FDA_Category_D_Weighted_Contribution": 1.12718, "FDA_Category_D_Top_Rank": 0.0863854, "FDA_Category_X_L1000_Similarity": 0.401673, "FDA_Category_X_Structural_Similarity": 0.969601, "FDA_Category_X_Weighted_Contribution": 1.12518, "FDA_Category_X_Top_Rank": -0.0425503, "FDA_Category_D_and_X_L1000_Similarity": 1.70266, "FDA_Category_D_and_X_Structural_Similarity": 0.629446, "FDA_Category_D_and_X_Weighted_Contribution": 1.48032, "FDA_Category_D_and_X_Top_Rank": 0.0117936, "Placenta_Crossing_L1000_Similarity": 1.73682, "Placenta_Crossing_Structural_Similarity": 2.56864, "Placenta_Crossing_Weighted_Contribution": 3.18965, "Placenta_Crossing_Top_Rank": 0.101481, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC", "InChI_key": "YQBNJPACAUPNLV-UHFFFAOYSA-N" } }, "CID:87217390": { "type": "Drug", "properties": { "id": "CID:87217390", "label": "SU-014813", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/87217390", "FDA_Category_D_L1000_Similarity": 0.93809, "FDA_Category_D_Structural_Similarity": 2.45435, "FDA_Category_D_Weighted_Contribution": 2.91634, "FDA_Category_D_Top_Rank": 0.126563, "FDA_Category_X_L1000_Similarity": -0.885669, "FDA_Category_X_Structural_Similarity": 0.260662, "FDA_Category_X_Weighted_Contribution": -0.290844, "FDA_Category_X_Top_Rank": -0.0712788, "FDA_Category_D_and_X_L1000_Similarity": 0.539688, "FDA_Category_D_and_X_Structural_Similarity": 2.0887, "FDA_Category_D_and_X_Weighted_Contribution": 2.29889, "FDA_Category_D_and_X_Top_Rank": 0.0457091, "Placenta_Crossing_L1000_Similarity": -0.954222, "Placenta_Crossing_Structural_Similarity": 0.847193, "Placenta_Crossing_Weighted_Contribution": 0.207093, "Placenta_Crossing_Top_Rank": -0.0575521, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:906542": { "type": "Drug", "properties": { "id": "CID:906542", "label": "stk-249718", "lsm": "LSM-6671", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/906542", "FDA_Category_D_L1000_Similarity": -0.120831, "FDA_Category_D_Structural_Similarity": -0.856369, "FDA_Category_D_Weighted_Contribution": -0.846515, "FDA_Category_D_Top_Rank": -0.0931717, "FDA_Category_X_L1000_Similarity": -2.0551, "FDA_Category_X_Structural_Similarity": -0.651686, "FDA_Category_X_Weighted_Contribution": -1.31876, "FDA_Category_X_Top_Rank": -0.0915616, "FDA_Category_D_and_X_L1000_Similarity": -0.72825, "FDA_Category_D_and_X_Structural_Similarity": -1.03136, "FDA_Category_D_and_X_Weighted_Contribution": -1.14267, "FDA_Category_D_and_X_Top_Rank": -0.0957555, "Placenta_Crossing_L1000_Similarity": -1.14557, "Placenta_Crossing_Structural_Similarity": -0.735253, "Placenta_Crossing_Weighted_Contribution": -1.08661, "Placenta_Crossing_Top_Rank": -0.0914247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=CC=N3)C", "InChI_key": "HDXJYJIPXWVRSM-UHFFFAOYSA-N" } }, "CID:91930061": { "type": "Drug", "properties": { "id": "CID:91930061", "label": "bruceantin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/91930061", "FDA_Category_D_L1000_Similarity": -0.504029, "FDA_Category_D_Structural_Similarity": 0.917895, "FDA_Category_D_Weighted_Contribution": 0.498781, "FDA_Category_D_Top_Rank": -0.0544262, "FDA_Category_X_L1000_Similarity": -2.08418, "FDA_Category_X_Structural_Similarity": -0.175113, "FDA_Category_X_Weighted_Contribution": -1.06853, "FDA_Category_X_Top_Rank": -0.0840301, "FDA_Category_D_and_X_L1000_Similarity": -1.0674, "FDA_Category_D_and_X_Structural_Similarity": 0.634055, "FDA_Category_D_and_X_Weighted_Contribution": -0.101309, "FDA_Category_D_and_X_Top_Rank": -0.069563, "Placenta_Crossing_L1000_Similarity": -1.24627, "Placenta_Crossing_Structural_Similarity": -0.177086, "Placenta_Crossing_Weighted_Contribution": -0.775695, "Placenta_Crossing_Top_Rank": -0.0856033, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:92786": { "type": "Drug", "properties": { "id": "CID:92786", "label": "brexanolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/92786", "FDA_Category_D_L1000_Similarity": 0.348583, "FDA_Category_D_Structural_Similarity": -0.641768, "FDA_Category_D_Weighted_Contribution": -0.488815, "FDA_Category_D_Top_Rank": -0.0880241, "FDA_Category_X_L1000_Similarity": -0.592514, "FDA_Category_X_Structural_Similarity": 1.86842, "FDA_Category_X_Weighted_Contribution": 1.58247, "FDA_Category_X_Top_Rank": 0.0240925, "FDA_Category_D_and_X_L1000_Similarity": 0.120549, "FDA_Category_D_and_X_Structural_Similarity": 0.498814, "FDA_Category_D_and_X_Weighted_Contribution": 0.406846, "FDA_Category_D_and_X_Top_Rank": -0.0739262, "Placenta_Crossing_L1000_Similarity": 0.333857, "Placenta_Crossing_Structural_Similarity": -0.092328, "Placenta_Crossing_Weighted_Contribution": -0.064571, "Placenta_Crossing_Top_Rank": -0.084039, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C", "InChI_key": "AURFZBICLPNKBZ-SYBPFIFISA-N" } }, "CID:938": { "type": "Drug", "properties": { "id": "CID:938", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID938", "label": "niacin", "FDA_Category_D_L1000_Similarity": 0.934747, "FDA_Category_X_L1000_Similarity": 2.39069, "FDA_Category_D_and_X_L1000_Similarity": 1.53177, "Placenta_Crossing_L1000_Similarity": 2.26193, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CN=C1)C(=O)O", "InChI_key": "PVNIIMVLHYAWGP-UHFFFAOYSA-N" } }, "CID:95801": { "type": "Drug", "properties": { "id": "CID:95801", "label": "BTS", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/95801", "FDA_Category_D_L1000_Similarity": 0.174421, "FDA_Category_D_Structural_Similarity": -0.644373, "FDA_Category_D_Weighted_Contribution": -0.570867, "FDA_Category_D_Top_Rank": -0.0904971, "FDA_Category_X_L1000_Similarity": -0.21157, "FDA_Category_X_Structural_Similarity": -0.428314, "FDA_Category_X_Weighted_Contribution": -0.58968, "FDA_Category_X_Top_Rank": -0.0886849, "FDA_Category_D_and_X_L1000_Similarity": 0.0861044, "FDA_Category_D_and_X_Structural_Similarity": -0.742564, "FDA_Category_D_and_X_Weighted_Contribution": -0.689665, "FDA_Category_D_and_X_Top_Rank": -0.0914387, "Placenta_Crossing_L1000_Similarity": -0.257064, "Placenta_Crossing_Structural_Similarity": 0.205236, "Placenta_Crossing_Weighted_Contribution": -0.0666025, "Placenta_Crossing_Top_Rank": -0.0775559, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9803433": { "type": "Drug", "properties": { "id": "CID:9803433", "label": "mk-0752", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9803433", "FDA_Category_D_L1000_Similarity": -0.315669, "FDA_Category_D_Structural_Similarity": -0.839638, "FDA_Category_D_Weighted_Contribution": -0.909714, "FDA_Category_D_Top_Rank": -0.0943175, "FDA_Category_X_L1000_Similarity": 2.53617, "FDA_Category_X_Structural_Similarity": -0.635246, "FDA_Category_X_Weighted_Contribution": 0.525455, "FDA_Category_X_Top_Rank": 0.179946, "FDA_Category_D_and_X_L1000_Similarity": 0.498084, "FDA_Category_D_and_X_Structural_Similarity": -1.00921, "FDA_Category_D_and_X_Weighted_Contribution": -0.714762, "FDA_Category_D_and_X_Top_Rank": -0.0856488, "Placenta_Crossing_L1000_Similarity": 1.97895, "Placenta_Crossing_Structural_Similarity": -0.910568, "Placenta_Crossing_Weighted_Contribution": -0.0495623, "Placenta_Crossing_Top_Rank": 0.0380662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "OC(=O)CC[C@H]1CC[C@@](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3", "InChI_key": "XCGJIFAKUZNNOR-QCKZDCLWSA-N" } }, "CID:9961192": { "type": "Drug", "properties": { "id": "CID:9961192", "label": "l-161982", "lsm": "LSM-2875", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9961192", "FDA_Category_D_L1000_Similarity": 0.231432, "FDA_Category_D_Structural_Similarity": -0.0332782, "FDA_Category_D_Weighted_Contribution": -0.0186395, "FDA_Category_D_Top_Rank": -0.0858821, "FDA_Category_X_L1000_Similarity": 0.602774, "FDA_Category_X_Structural_Similarity": -0.386877, "FDA_Category_X_Weighted_Contribution": -0.202056, "FDA_Category_X_Top_Rank": -0.0809411, "FDA_Category_D_and_X_L1000_Similarity": 0.382549, "FDA_Category_D_and_X_Structural_Similarity": -0.23517, "FDA_Category_D_and_X_Weighted_Contribution": -0.151707, "FDA_Category_D_and_X_Top_Rank": -0.0877315, "Placenta_Crossing_L1000_Similarity": 1.092, "Placenta_Crossing_Structural_Similarity": 0.0402344, "Placenta_Crossing_Weighted_Contribution": 0.438591, "Placenta_Crossing_Top_Rank": -0.0667898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=CS4)C)C5=CC=CC=C5C(F)(F)F", "InChI_key": "MMDNKTXNUZFVKD-UHFFFAOYSA-N" } }, "CID:10074640": { "type": "Drug", "properties": { "id": "CID:10074640", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10074640", "label": "masitinib", "FDA_Category_D_L1000_Similarity": 0.219214, "FDA_Category_D_Structural_Similarity": 0.212132, "FDA_Category_D_Weighted_Contribution": 0.211504, "FDA_Category_D_Top_Rank": -0.0795973, "FDA_Category_X_L1000_Similarity": 5.17299, "FDA_Category_X_Structural_Similarity": -0.504051, "FDA_Category_X_Weighted_Contribution": 2.1498, "FDA_Category_X_Top_Rank": 26.998, "FDA_Category_D_and_X_L1000_Similarity": 1.7599, "FDA_Category_D_and_X_Structural_Similarity": -0.103612, "FDA_Category_D_and_X_Weighted_Contribution": 0.733161, "FDA_Category_D_and_X_Top_Rank": 0.0251229, "Placenta_Crossing_L1000_Similarity": 1.03955, "Placenta_Crossing_Structural_Similarity": -0.099641, "Placenta_Crossing_Weighted_Contribution": 0.270839, "Placenta_Crossing_Top_Rank": -0.0690411, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5", "InChI_key": "WJEOLQLKVOPQFV-UHFFFAOYSA-N" } }, "CID:10200390": { "type": "Drug", "properties": { "id": "CID:10200390", "label": "syk-inhibitor", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10200390", "FDA_Category_D_L1000_Similarity": 0.495448, "FDA_Category_D_Structural_Similarity": -0.660972, "FDA_Category_D_Weighted_Contribution": -0.434831, "FDA_Category_D_Top_Rank": -0.0853699, "FDA_Category_X_L1000_Similarity": -1.23378, "FDA_Category_X_Structural_Similarity": -0.664836, "FDA_Category_X_Weighted_Contribution": -1.10666, "FDA_Category_X_Top_Rank": -0.0915842, "FDA_Category_D_and_X_L1000_Similarity": 0.0524023, "FDA_Category_D_and_X_Structural_Similarity": -0.883365, "FDA_Category_D_and_X_Weighted_Contribution": -0.799215, "FDA_Category_D_and_X_Top_Rank": -0.0917291, "Placenta_Crossing_L1000_Similarity": -0.135576, "Placenta_Crossing_Structural_Similarity": -1.04289, "Placenta_Crossing_Weighted_Contribution": -0.969333, "Placenta_Crossing_Top_Rank": -0.0892026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC", "InChI_key": "JWQOJVOKBAAAAR-UHFFFAOYSA-N" } }, "CID:10294813": { "type": "Drug", "properties": { "id": "CID:10294813", "label": "genz-644282", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10294813", "FDA_Category_D_L1000_Similarity": 1.5076, "FDA_Category_D_Structural_Similarity": -0.851154, "FDA_Category_D_Weighted_Contribution": -0.084322, "FDA_Category_D_Top_Rank": -0.00629577, "FDA_Category_X_L1000_Similarity": -2.77387, "FDA_Category_X_Structural_Similarity": -0.582065, "FDA_Category_X_Weighted_Contribution": -1.44885, "FDA_Category_X_Top_Rank": -0.0908717, "FDA_Category_D_and_X_L1000_Similarity": 0.457207, "FDA_Category_D_and_X_Structural_Similarity": -0.989652, "FDA_Category_D_and_X_Weighted_Contribution": -0.717104, "FDA_Category_D_and_X_Top_Rank": -0.0864673, "Placenta_Crossing_L1000_Similarity": -1.52408, "Placenta_Crossing_Structural_Similarity": -0.619724, "Placenta_Crossing_Weighted_Contribution": -1.12765, "Placenta_Crossing_Top_Rank": -0.0907114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10767": { "type": "Drug", "properties": { "id": "CID:10767", "label": "amylocaine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10767", "FDA_Category_D_L1000_Similarity": -0.587815, "FDA_Category_D_Structural_Similarity": -0.570927, "FDA_Category_D_Weighted_Contribution": -0.838556, "FDA_Category_D_Top_Rank": -0.0947839, "FDA_Category_X_L1000_Similarity": 0.824743, "FDA_Category_X_Structural_Similarity": -0.682592, "FDA_Category_X_Weighted_Contribution": -0.368352, "FDA_Category_X_Top_Rank": -0.0763018, "FDA_Category_D_and_X_L1000_Similarity": -0.25625, "FDA_Category_D_and_X_Structural_Similarity": -0.821476, "FDA_Category_D_and_X_Weighted_Contribution": -0.871356, "FDA_Category_D_and_X_Top_Rank": -0.0939679, "Placenta_Crossing_L1000_Similarity": 0.437379, "Placenta_Crossing_Structural_Similarity": -0.552855, "Placenta_Crossing_Weighted_Contribution": -0.418038, "Placenta_Crossing_Top_Rank": -0.083948, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1", "InChI_key": "FDMBBCOBEAVDAO-UHFFFAOYSA-N" } }, "CID:108046": { "type": "Drug", "properties": { "id": "CID:108046", "label": "bmy-14802", "lsm": "LSM-1339", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/108046", "FDA_Category_D_L1000_Similarity": 1.22284, "FDA_Category_D_Structural_Similarity": -0.575318, "FDA_Category_D_Weighted_Contribution": 0.0176999, "FDA_Category_D_Top_Rank": -0.0464449, "FDA_Category_X_L1000_Similarity": 0.982428, "FDA_Category_X_Structural_Similarity": 1.61084, "FDA_Category_X_Weighted_Contribution": 2.16893, "FDA_Category_X_Top_Rank": -0.000493832, "FDA_Category_D_and_X_L1000_Similarity": 1.35245, "FDA_Category_D_and_X_Structural_Similarity": 0.412563, "FDA_Category_D_and_X_Weighted_Contribution": 1.03852, "FDA_Category_D_and_X_Top_Rank": -0.0423471, "Placenta_Crossing_L1000_Similarity": 1.08415, "Placenta_Crossing_Structural_Similarity": -0.343301, "Placenta_Crossing_Weighted_Contribution": 0.0563238, "Placenta_Crossing_Top_Rank": -0.0670629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F", "InChI_key": "ZXUYYZPJUGQHLQ-UHFFFAOYSA-N" } }, "CID:11001318": { "type": "Drug", "properties": { "id": "CID:11001318", "label": "tafamidis", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11001318", "FDA_Category_D_L1000_Similarity": 1.31857, "FDA_Category_D_Structural_Similarity": -0.094411, "FDA_Category_D_Weighted_Contribution": 0.556286, "FDA_Category_D_Top_Rank": -0.035415, "FDA_Category_X_L1000_Similarity": 1.81971, "FDA_Category_X_Structural_Similarity": -0.170967, "FDA_Category_X_Weighted_Contribution": 0.641035, "FDA_Category_X_Top_Rank": -0.0164697, "FDA_Category_D_and_X_L1000_Similarity": 1.68923, "FDA_Category_D_and_X_Structural_Similarity": -0.167188, "FDA_Category_D_and_X_Weighted_Contribution": 0.625376, "FDA_Category_D_and_X_Top_Rank": 0.00737681, "Placenta_Crossing_L1000_Similarity": 0.456211, "Placenta_Crossing_Structural_Similarity": 0.395438, "Placenta_Crossing_Weighted_Contribution": 0.472046, "Placenta_Crossing_Top_Rank": -0.0726392, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl", "InChI_key": "TXEIIPDJKFWEEC-UHFFFAOYSA-N" } }, "CID:11095": { "type": "Drug", "properties": { "id": "CID:11095", "label": "eriodictyol", "lsm": "LSM-1479", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11095", "FDA_Category_D_L1000_Similarity": 0.414852, "FDA_Category_D_Structural_Similarity": -0.52974, "FDA_Category_D_Weighted_Contribution": -0.365183, "FDA_Category_D_Top_Rank": -0.086924, "FDA_Category_X_L1000_Similarity": 1.13902, "FDA_Category_X_Structural_Similarity": 0.380899, "FDA_Category_X_Weighted_Contribution": 0.876271, "FDA_Category_X_Top_Rank": -0.0666726, "FDA_Category_D_and_X_L1000_Similarity": 0.703513, "FDA_Category_D_and_X_Structural_Similarity": -0.21493, "FDA_Category_D_and_X_Weighted_Contribution": 0.030453, "FDA_Category_D_and_X_Top_Rank": -0.0810858, "Placenta_Crossing_L1000_Similarity": 0.33806, "Placenta_Crossing_Structural_Similarity": -0.670872, "Placenta_Crossing_Weighted_Contribution": -0.551125, "Placenta_Crossing_Top_Rank": -0.0852247, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O", "InChI_key": "SBHXYTNGIZCORC-UHFFFAOYSA-N" } }, "CID:11494412": { "type": "Drug", "properties": { "id": "CID:11494412", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11494412", "label": "tivantinib", "FDA_Category_D_L1000_Similarity": 0.211675, "FDA_Category_D_Structural_Similarity": -0.751036, "FDA_Category_D_Weighted_Contribution": -0.635191, "FDA_Category_D_Top_Rank": -0.0900926, "FDA_Category_X_L1000_Similarity": -0.47754, "FDA_Category_X_Structural_Similarity": -0.693658, "FDA_Category_X_Weighted_Contribution": -0.885028, "FDA_Category_X_Top_Rank": -0.0899583, "FDA_Category_D_and_X_L1000_Similarity": 0.0374517, "FDA_Category_D_and_X_Structural_Similarity": -0.970402, "FDA_Category_D_and_X_Weighted_Contribution": -0.861358, "FDA_Category_D_and_X_Top_Rank": -0.0918917, "Placenta_Crossing_L1000_Similarity": -0.621291, "Placenta_Crossing_Structural_Similarity": -0.992854, "Placenta_Crossing_Weighted_Contribution": -1.08203, "Placenta_Crossing_Top_Rank": -0.0911303, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=C3C(=CC=C2)C(=CN3C1)C4C(C(=O)NC4=O)C5=CNC6=CC=CC=C65", "InChI_key": "UCEQXRCJXIVODC-PMACEKPBSA-N" } }, "CID:11560787": { "type": "Drug", "properties": { "id": "CID:11560787", "label": "e-2012", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11560787", "FDA_Category_D_L1000_Similarity": -1.02632, "FDA_Category_D_Structural_Similarity": 0.130522, "FDA_Category_D_Weighted_Contribution": -0.514899, "FDA_Category_D_Top_Rank": -0.0816808, "FDA_Category_X_L1000_Similarity": -0.554567, "FDA_Category_X_Structural_Similarity": -0.496443, "FDA_Category_X_Weighted_Contribution": -0.772948, "FDA_Category_X_Top_Rank": -0.0897652, "FDA_Category_D_and_X_L1000_Similarity": -1.05312, "FDA_Category_D_and_X_Structural_Similarity": -0.164281, "FDA_Category_D_and_X_Weighted_Contribution": -0.73187, "FDA_Category_D_and_X_Top_Rank": -0.0895741, "Placenta_Crossing_L1000_Similarity": -0.139881, "Placenta_Crossing_Structural_Similarity": -1.00007, "Placenta_Crossing_Weighted_Contribution": -0.944746, "Placenta_Crossing_Top_Rank": -0.089221, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN(C3=O)C(C)C4=CC=C(C=C4)F)OC", "InChI_key": "PUOAETJYKQITMO-LANLRWRYSA-N" } }, "CID:11713159": { "type": "Drug", "properties": { "id": "CID:11713159", "label": "pf-562271", "lsm": "LSM-1072", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11713159", "FDA_Category_D_L1000_Similarity": -0.579559, "FDA_Category_D_Structural_Similarity": 0.362018, "FDA_Category_D_Weighted_Contribution": -0.092646, "FDA_Category_D_Top_Rank": -0.0753773, "FDA_Category_X_L1000_Similarity": -2.00696, "FDA_Category_X_Structural_Similarity": 0.143893, "FDA_Category_X_Weighted_Contribution": -0.834917, "FDA_Category_X_Top_Rank": -0.0755586, "FDA_Category_D_and_X_L1000_Similarity": -1.10907, "FDA_Category_D_and_X_Structural_Similarity": 0.364982, "FDA_Category_D_and_X_Weighted_Contribution": -0.353856, "FDA_Category_D_and_X_Top_Rank": -0.0778927, "Placenta_Crossing_L1000_Similarity": -1.34612, "Placenta_Crossing_Structural_Similarity": -0.548279, "Placenta_Crossing_Weighted_Contribution": -1.03912, "Placenta_Crossing_Top_Rank": -0.0901255, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C", "InChI_key": "MZDKLVOWGIOKTN-UHFFFAOYSA-N" } }, "CID:11784736": { "type": "Drug", "properties": { "id": "CID:11784736", "label": "y-134", "lsm": "LSM-4127", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11784736", "FDA_Category_D_L1000_Similarity": -2.4746, "FDA_Category_D_Structural_Similarity": 1.41992, "FDA_Category_D_Weighted_Contribution": -0.139977, "FDA_Category_D_Top_Rank": -0.0250042, "FDA_Category_X_L1000_Similarity": 1.33781, "FDA_Category_X_Structural_Similarity": 2.36623, "FDA_Category_X_Weighted_Contribution": 3.06533, "FDA_Category_X_Top_Rank": 0.0882651, "FDA_Category_D_and_X_L1000_Similarity": -1.72688, "FDA_Category_D_and_X_Structural_Similarity": 2.40382, "FDA_Category_D_and_X_Weighted_Contribution": 1.32235, "FDA_Category_D_and_X_Top_Rank": 0.0883514, "Placenta_Crossing_L1000_Similarity": -2.85969, "Placenta_Crossing_Structural_Similarity": 0.817762, "Placenta_Crossing_Weighted_Contribution": -0.65118, "Placenta_Crossing_Top_Rank": -0.0590316, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O", "InChI_key": "LQEOPHGPHCWOAC-UHFFFAOYSA-N" } }, "CID:121396": { "type": "Drug", "properties": { "id": "CID:121396", "label": "carglumic acid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/121396", "FDA_Category_D_L1000_Similarity": 0.188276, "FDA_Category_D_Structural_Similarity": -0.48865, "FDA_Category_D_Weighted_Contribution": -0.440997, "FDA_Category_D_Top_Rank": -0.0903395, "FDA_Category_X_L1000_Similarity": 1.41451, "FDA_Category_X_Structural_Similarity": -0.307829, "FDA_Category_X_Weighted_Contribution": 0.276582, "FDA_Category_X_Top_Rank": -0.0522682, "FDA_Category_D_and_X_L1000_Similarity": 0.591857, "FDA_Category_D_and_X_Structural_Similarity": -0.553952, "FDA_Category_D_and_X_Weighted_Contribution": -0.325156, "FDA_Category_D_and_X_Top_Rank": -0.0836972, "Placenta_Crossing_L1000_Similarity": 1.22581, "Placenta_Crossing_Structural_Similarity": 0.490858, "Placenta_Crossing_Weighted_Contribution": 0.985079, "Placenta_Crossing_Top_Rank": -0.0606187, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(=O)O)C(C(=O)O)NC(=O)N", "InChI_key": "LCQLHJZYVOQKHU-VKHMYHEASA-N" } }, "CID:122070": { "type": "Drug", "properties": { "id": "CID:122070", "label": "l-655240", "lsm": "LSM-4003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122070", "FDA_Category_D_L1000_Similarity": 0.524553, "FDA_Category_D_Structural_Similarity": -0.445406, "FDA_Category_D_Weighted_Contribution": -0.237421, "FDA_Category_D_Top_Rank": -0.0846852, "FDA_Category_X_L1000_Similarity": 0.935773, "FDA_Category_X_Structural_Similarity": -0.161928, "FDA_Category_X_Weighted_Contribution": 0.179916, "FDA_Category_X_Top_Rank": -0.0734511, "FDA_Category_D_and_X_L1000_Similarity": 0.736353, "FDA_Category_D_and_X_Structural_Similarity": -0.4409, "FDA_Category_D_and_X_Weighted_Contribution": -0.158257, "FDA_Category_D_and_X_Top_Rank": -0.0800251, "Placenta_Crossing_L1000_Similarity": 1.92875, "Placenta_Crossing_Structural_Similarity": -0.650217, "Placenta_Crossing_Weighted_Contribution": 0.173052, "Placenta_Crossing_Top_Rank": 0.0264383, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O", "InChI_key": "JLPYLHLUHJOPNL-UHFFFAOYSA-N" } }, "CID:128268": { "type": "Drug", "properties": { "id": "CID:128268", "label": "FPL-62064", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/128268", "FDA_Category_D_L1000_Similarity": 0.939451, "FDA_Category_D_Structural_Similarity": 0.263941, "FDA_Category_D_Weighted_Contribution": 0.700668, "FDA_Category_D_Top_Rank": -0.0691933, "FDA_Category_X_L1000_Similarity": 0.22104, "FDA_Category_X_Structural_Similarity": -0.716378, "FDA_Category_X_Weighted_Contribution": -0.646151, "FDA_Category_X_Top_Rank": -0.0857255, "FDA_Category_D_and_X_L1000_Similarity": 0.876946, "FDA_Category_D_and_X_Structural_Similarity": -0.177061, "FDA_Category_D_and_X_Weighted_Contribution": 0.158489, "FDA_Category_D_and_X_Top_Rank": -0.0750341, "Placenta_Crossing_L1000_Similarity": 0.89049, "Placenta_Crossing_Structural_Similarity": 0.791515, "Placenta_Crossing_Weighted_Contribution": 1.12594, "Placenta_Crossing_Top_Rank": -0.0597318, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:135398516": { "type": "Drug", "properties": { "id": "CID:135398516", "label": "osi-027", "lsm": "LSM-1063", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135398516", "FDA_Category_D_L1000_Similarity": -1.52901, "FDA_Category_D_Structural_Similarity": -0.00866926, "FDA_Category_D_Weighted_Contribution": -0.831144, "FDA_Category_D_Top_Rank": -0.0853973, "FDA_Category_X_L1000_Similarity": -1.14548, "FDA_Category_X_Structural_Similarity": 1.13698, "FDA_Category_X_Weighted_Contribution": 0.44983, "FDA_Category_X_Top_Rank": -0.0338288, "FDA_Category_D_and_X_L1000_Similarity": -1.6659, "FDA_Category_D_and_X_Structural_Similarity": 0.606628, "FDA_Category_D_and_X_Weighted_Contribution": -0.411444, "FDA_Category_D_and_X_Top_Rank": -0.0706033, "Placenta_Crossing_L1000_Similarity": -1.52696, "Placenta_Crossing_Structural_Similarity": 0.395819, "Placenta_Crossing_Weighted_Contribution": -0.456637, "Placenta_Crossing_Top_Rank": -0.0725904, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "JROFGZPOBKIAEW-TXEJJXNPSA-N" } }, "CID:135999136": { "type": "Drug", "properties": { "id": "CID:135999136", "label": "brd-k01121114", "lsm": "LSM-3882", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135999136", "FDA_Category_D_L1000_Similarity": 1.28122, "FDA_Category_D_Structural_Similarity": 1.3909, "FDA_Category_D_Weighted_Contribution": 2.12584, "FDA_Category_D_Top_Rank": -0.0269729, "FDA_Category_X_L1000_Similarity": 1.04817, "FDA_Category_X_Structural_Similarity": -0.705845, "FDA_Category_X_Weighted_Contribution": -0.289767, "FDA_Category_X_Top_Rank": -0.0699695, "FDA_Category_D_and_X_L1000_Similarity": 1.42274, "FDA_Category_D_and_X_Structural_Similarity": 0.723101, "FDA_Category_D_and_X_Weighted_Contribution": 1.41298, "FDA_Category_D_and_X_Top_Rank": -0.0337809, "Placenta_Crossing_L1000_Similarity": 1.62773, "Placenta_Crossing_Structural_Similarity": 0.578559, "Placenta_Crossing_Weighted_Contribution": 1.30006, "Placenta_Crossing_Top_Rank": -0.0256445, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CNC(=C1)C=NNC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl", "InChI_key": "NVEDPFICKAIHKD-NGYBGAFCSA-N" } }, "CID:1549008": { "type": "Drug", "properties": { "id": "CID:1549008", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1549008", "label": "terbinafine", "FDA_Category_D_L1000_Similarity": 1.20322, "FDA_Category_D_Structural_Similarity": 0.47013, "FDA_Category_D_Weighted_Contribution": 1.09116, "FDA_Category_D_Top_Rank": -0.0482333, "FDA_Category_X_L1000_Similarity": 0.862158, "FDA_Category_X_Structural_Similarity": -0.544258, "FDA_Category_X_Weighted_Contribution": -0.227492, "FDA_Category_X_Top_Rank": -0.0753718, "FDA_Category_D_and_X_L1000_Similarity": 1.29902, "FDA_Category_D_and_X_Structural_Similarity": 0.079469, "FDA_Category_D_and_X_Weighted_Contribution": 0.654416, "FDA_Category_D_and_X_Top_Rank": -0.0471343, "Placenta_Crossing_L1000_Similarity": 2.39139, "Placenta_Crossing_Structural_Similarity": 0.448134, "Placenta_Crossing_Weighted_Contribution": 1.57634, "Placenta_Crossing_Top_Rank": 0.209331, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21", "InChI_key": "DOMXUEMWDBAQBQ-WEVVVXLNSA-N" } }, "CID:16741": { "type": "Drug", "properties": { "id": "CID:16741", "label": "phenethyl isothiocyanate", "lsm": "LSM-4926", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16741", "FDA_Category_D_L1000_Similarity": -0.404093, "FDA_Category_D_Structural_Similarity": -0.927797, "FDA_Category_D_Weighted_Contribution": -0.996017, "FDA_Category_D_Top_Rank": -0.0947265, "FDA_Category_X_L1000_Similarity": 1.70368, "FDA_Category_X_Structural_Similarity": -0.675903, "FDA_Category_X_Weighted_Contribution": 0.0492525, "FDA_Category_X_Top_Rank": -0.0300516, "FDA_Category_D_and_X_L1000_Similarity": 0.169036, "FDA_Category_D_and_X_Structural_Similarity": -1.10112, "FDA_Category_D_and_X_Weighted_Contribution": -0.89728, "FDA_Category_D_and_X_Top_Rank": -0.0906175, "Placenta_Crossing_L1000_Similarity": 0.0688238, "Placenta_Crossing_Structural_Similarity": -0.384042, "Placenta_Crossing_Weighted_Contribution": -0.432758, "Placenta_Crossing_Top_Rank": -0.0878037, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCN=C=S", "InChI_key": "IZJDOKYDEWTZSO-UHFFFAOYSA-N" } }, "CID:17507": { "type": "Drug", "properties": { "id": "CID:17507", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID17507", "label": "dobesilic acid", "FDA_Category_D_L1000_Similarity": 0.334848, "FDA_Category_D_Structural_Similarity": -0.741776, "FDA_Category_D_Weighted_Contribution": -0.573528, "FDA_Category_D_Top_Rank": -0.0882588, "FDA_Category_X_L1000_Similarity": 3.11056, "FDA_Category_X_Structural_Similarity": -0.507567, "FDA_Category_X_Weighted_Contribution": 0.987013, "FDA_Category_X_Top_Rank": 0.687428, "FDA_Category_D_and_X_L1000_Similarity": 1.23326, "FDA_Category_D_and_X_Structural_Similarity": -0.862638, "FDA_Category_D_and_X_Weighted_Contribution": -0.282336, "FDA_Category_D_and_X_Top_Rank": -0.0525876, "Placenta_Crossing_L1000_Similarity": 1.31719, "Placenta_Crossing_Structural_Similarity": -0.645498, "Placenta_Crossing_Weighted_Contribution": -0.114047, "Placenta_Crossing_Top_Rank": -0.0543392, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1O)S(=O)(=O)O)O", "InChI_key": "IKQCSJBQLWJEPU-UHFFFAOYSA-N" } }, "CID:17753743": { "type": "Drug", "properties": { "id": "CID:17753743", "label": "oprozomib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17753743", "FDA_Category_D_L1000_Similarity": -1.81178, "FDA_Category_D_Structural_Similarity": -0.602466, "FDA_Category_D_Weighted_Contribution": -1.26218, "FDA_Category_D_Top_Rank": -0.0950642, "FDA_Category_X_L1000_Similarity": -2.83363, "FDA_Category_X_Structural_Similarity": 0.131254, "FDA_Category_X_Weighted_Contribution": -1.10928, "FDA_Category_X_Top_Rank": -0.0759945, "FDA_Category_D_and_X_L1000_Similarity": -2.4223, "FDA_Category_D_and_X_Structural_Similarity": -0.407361, "FDA_Category_D_and_X_Weighted_Contribution": -1.29656, "FDA_Category_D_and_X_Top_Rank": -0.0930503, "Placenta_Crossing_L1000_Similarity": -2.35983, "Placenta_Crossing_Structural_Similarity": -0.268508, "Placenta_Crossing_Weighted_Contribution": -1.16533, "Placenta_Crossing_Top_Rank": -0.0869909, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1833": { "type": "Drug", "properties": { "id": "CID:1833", "label": "5-methoxytryptamine", "lsm": "LSM-4582", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1833", "FDA_Category_D_L1000_Similarity": 0.318254, "FDA_Category_D_Structural_Similarity": -0.253563, "FDA_Category_D_Weighted_Contribution": -0.174298, "FDA_Category_D_Top_Rank": -0.0885755, "FDA_Category_X_L1000_Similarity": 0.55855, "FDA_Category_X_Structural_Similarity": 0.723042, "FDA_Category_X_Weighted_Contribution": 0.934506, "FDA_Category_X_Top_Rank": -0.0531004, "FDA_Category_D_and_X_L1000_Similarity": 0.443963, "FDA_Category_D_and_X_Structural_Similarity": 0.188894, "FDA_Category_D_and_X_Weighted_Contribution": 0.27855, "FDA_Category_D_and_X_Top_Rank": -0.0818555, "Placenta_Crossing_L1000_Similarity": 0.830979, "Placenta_Crossing_Structural_Similarity": -0.302633, "Placenta_Crossing_Weighted_Contribution": -0.0259371, "Placenta_Crossing_Top_Rank": -0.0754209, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=C1)NC=C2CCN", "InChI_key": "JTEJPPKMYBDEMY-UHFFFAOYSA-N" } }, "CID:1858": { "type": "Drug", "properties": { "id": "CID:1858", "label": "6-chloromelatonin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1858", "FDA_Category_D_L1000_Similarity": -0.760687, "FDA_Category_D_Structural_Similarity": -0.639097, "FDA_Category_D_Weighted_Contribution": -0.947401, "FDA_Category_D_Top_Rank": -0.0953852, "FDA_Category_X_L1000_Similarity": -1.11321, "FDA_Category_X_Structural_Similarity": -0.253244, "FDA_Category_X_Weighted_Contribution": -0.799269, "FDA_Category_X_Top_Rank": -0.085566, "FDA_Category_D_and_X_L1000_Similarity": -0.993789, "FDA_Category_D_and_X_Structural_Similarity": -0.64391, "FDA_Category_D_and_X_Weighted_Contribution": -1.01352, "FDA_Category_D_and_X_Top_Rank": -0.0950893, "Placenta_Crossing_L1000_Similarity": -0.298823, "Placenta_Crossing_Structural_Similarity": -0.849104, "Placenta_Crossing_Weighted_Contribution": -0.90114, "Placenta_Crossing_Top_Rank": -0.0900415, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:19009": { "type": "Drug", "properties": { "id": "CID:19009", "label": "palmatine-chloride", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19009", "FDA_Category_D_L1000_Similarity": 0.335958, "FDA_Category_D_Structural_Similarity": -0.249979, "FDA_Category_D_Weighted_Contribution": -0.161749, "FDA_Category_D_Top_Rank": -0.0882318, "FDA_Category_X_L1000_Similarity": -0.712766, "FDA_Category_X_Structural_Similarity": -0.56544, "FDA_Category_X_Weighted_Contribution": -0.877829, "FDA_Category_X_Top_Rank": -0.0906656, "FDA_Category_D_and_X_L1000_Similarity": 0.0731372, "FDA_Category_D_and_X_Structural_Similarity": -0.503521, "FDA_Category_D_and_X_Weighted_Contribution": -0.518254, "FDA_Category_D_and_X_Top_Rank": -0.0915594, "Placenta_Crossing_L1000_Similarity": 0.176806, "Placenta_Crossing_Structural_Similarity": -0.764967, "Placenta_Crossing_Weighted_Contribution": -0.681825, "Placenta_Crossing_Top_Rank": -0.0868175, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:20854254": { "type": "Drug", "properties": { "id": "CID:20854254", "label": "KU-C104236N", "lsm": "LSM-2305", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20854254", "FDA_Category_D_L1000_Similarity": 0.63315, "FDA_Category_D_Structural_Similarity": 0.977173, "FDA_Category_D_Weighted_Contribution": 1.28075, "FDA_Category_D_Top_Rank": -0.051538, "FDA_Category_X_L1000_Similarity": 1.84928, "FDA_Category_X_Structural_Similarity": -0.477372, "FDA_Category_X_Weighted_Contribution": 0.326844, "FDA_Category_X_Top_Rank": -0.0127539, "FDA_Category_D_and_X_L1000_Similarity": 1.10738, "FDA_Category_D_and_X_Structural_Similarity": 0.518008, "FDA_Category_D_and_X_Weighted_Contribution": 1.0044, "FDA_Category_D_and_X_Top_Rank": -0.0620885, "Placenta_Crossing_L1000_Similarity": 1.49238, "Placenta_Crossing_Structural_Similarity": 4.12291, "Placenta_Crossing_Weighted_Contribution": 3.90138, "Placenta_Crossing_Top_Rank": 0.54629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:208908": { "type": "Drug", "properties": { "id": "CID:208908", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID208908", "label": "lapatinib", "FDA_Category_D_L1000_Similarity": 0.495776, "FDA_Category_D_Structural_Similarity": -0.433218, "FDA_Category_D_Weighted_Contribution": -0.241519, "FDA_Category_D_Top_Rank": -0.0853534, "FDA_Category_X_L1000_Similarity": 3.18585, "FDA_Category_X_Structural_Similarity": -0.653559, "FDA_Category_X_Weighted_Contribution": 0.864786, "FDA_Category_X_Top_Rank": 0.852773, "FDA_Category_D_and_X_L1000_Similarity": 1.39485, "FDA_Category_D_and_X_Structural_Similarity": -0.696509, "FDA_Category_D_and_X_Weighted_Contribution": -0.0562944, "FDA_Category_D_and_X_Top_Rank": -0.0374221, "Placenta_Crossing_L1000_Similarity": 1.32823, "Placenta_Crossing_Structural_Similarity": -0.678037, "Placenta_Crossing_Weighted_Contribution": -0.138319, "Placenta_Crossing_Top_Rank": -0.05376, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl", "InChI_key": "BCFGMOOMADDAQU-UHFFFAOYSA-N" } }, "CID:2141": { "type": "Drug", "properties": { "id": "CID:2141", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2141", "label": "amifostine", "ref": "LSM-4721", "FDA_Category_D_L1000_Similarity": 0.580036, "FDA_Category_D_Structural_Similarity": 1.0254, "FDA_Category_D_Weighted_Contribution": 1.29949, "FDA_Category_D_Top_Rank": -0.0492127, "FDA_Category_X_L1000_Similarity": 0.729044, "FDA_Category_X_Structural_Similarity": 0.0156888, "FDA_Category_X_Weighted_Contribution": 0.25631, "FDA_Category_X_Top_Rank": -0.0785097, "FDA_Category_D_and_X_L1000_Similarity": 0.721395, "FDA_Category_D_and_X_Structural_Similarity": 0.822336, "FDA_Category_D_and_X_Weighted_Contribution": 1.09846, "FDA_Category_D_and_X_Top_Rank": -0.0623497, "Placenta_Crossing_L1000_Similarity": 1.68126, "Placenta_Crossing_Structural_Similarity": -0.0204457, "Placenta_Crossing_Weighted_Contribution": 0.686108, "Placenta_Crossing_Top_Rank": -0.017629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CN)CNCCSP(=O)(O)O", "InChI_key": "JKOQGQFVAUAYPM-UHFFFAOYSA-N" } }, "CID:22121918": { "type": "Drug", "properties": { "id": "CID:22121918", "label": "TUL_XX087", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/22121918", "FDA_Category_D_L1000_Similarity": 1.80677, "FDA_Category_D_Structural_Similarity": -0.736096, "FDA_Category_D_Weighted_Contribution": 0.193116, "FDA_Category_D_Top_Rank": 0.0774459, "FDA_Category_X_L1000_Similarity": 1.58344, "FDA_Category_X_Structural_Similarity": -0.365416, "FDA_Category_X_Weighted_Contribution": 0.304727, "FDA_Category_X_Top_Rank": -0.040857, "FDA_Category_D_and_X_L1000_Similarity": 2.03832, "FDA_Category_D_and_X_Structural_Similarity": -0.781426, "FDA_Category_D_and_X_Weighted_Contribution": 0.2036, "FDA_Category_D_and_X_Top_Rank": 0.114451, "Placenta_Crossing_L1000_Similarity": 1.46395, "Placenta_Crossing_Structural_Similarity": 1.97427, "Placenta_Crossing_Weighted_Contribution": 2.61866, "Placenta_Crossing_Top_Rank": 0.0293809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:23891514": { "type": "Drug", "properties": { "id": "CID:23891514", "label": "i-606061", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23891514", "FDA_Category_D_L1000_Similarity": -3.34112, "FDA_Category_D_Structural_Similarity": -0.113328, "FDA_Category_D_Weighted_Contribution": -1.43515, "FDA_Category_D_Top_Rank": -0.0878227, "FDA_Category_X_L1000_Similarity": -2.71319, "FDA_Category_X_Structural_Similarity": 0.283098, "FDA_Category_X_Weighted_Contribution": -0.979175, "FDA_Category_X_Top_Rank": -0.0704247, "FDA_Category_D_and_X_L1000_Similarity": -3.70404, "FDA_Category_D_and_X_Structural_Similarity": 0.062809, "FDA_Category_D_and_X_Weighted_Contribution": -1.39791, "FDA_Category_D_and_X_Top_Rank": -0.0850266, "Placenta_Crossing_L1000_Similarity": -3.12541, "Placenta_Crossing_Structural_Similarity": 0.28084, "Placenta_Crossing_Weighted_Contribution": -1.0802, "Placenta_Crossing_Top_Rank": -0.0755174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(C(C(C(O1)CO)OC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)OC(=O)NC4=CC=CC=C4C5=CC=CC=C5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7", "InChI_key": "RVJRMPQLLBUGDF-MHUNNFNASA-N" } }, "CID:23976270": { "type": "Drug", "properties": { "id": "CID:23976270", "label": "jpr-3-97-17", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23976270", "FDA_Category_D_L1000_Similarity": 0.418929, "FDA_Category_D_Structural_Similarity": -0.528841, "FDA_Category_D_Weighted_Contribution": -0.362421, "FDA_Category_D_Top_Rank": -0.0868504, "FDA_Category_X_L1000_Similarity": 1.16065, "FDA_Category_X_Structural_Similarity": -0.565828, "FDA_Category_X_Weighted_Contribution": -0.107955, "FDA_Category_X_Top_Rank": -0.0659518, "FDA_Category_D_and_X_L1000_Similarity": 0.713588, "FDA_Category_D_and_X_Structural_Similarity": -0.725067, "FDA_Category_D_and_X_Weighted_Contribution": -0.409694, "FDA_Category_D_and_X_Top_Rank": -0.0808309, "Placenta_Crossing_L1000_Similarity": 0.868627, "Placenta_Crossing_Structural_Similarity": -0.910214, "Placenta_Crossing_Weighted_Contribution": -0.528123, "Placenta_Crossing_Top_Rank": -0.0744829, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B1(CC2C(=C(CN3N2C(=O)N(C3=O)C4=CC=CC=C4)COC)C(O1)CCCC)O", "InChI_key": "CLEIYVOPWCTZCC-DLBZAZTESA-N" } }, "CID:2453": { "type": "Drug", "properties": { "id": "CID:2453", "label": "broxyquinoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2453", "FDA_Category_D_L1000_Similarity": -0.0181195, "FDA_Category_D_Structural_Similarity": -0.637535, "FDA_Category_D_Weighted_Contribution": -0.650848, "FDA_Category_D_Top_Rank": -0.0923316, "FDA_Category_X_L1000_Similarity": -0.984577, "FDA_Category_X_Structural_Similarity": -0.701821, "FDA_Category_X_Weighted_Contribution": -1.05426, "FDA_Category_X_Top_Rank": -0.0912385, "FDA_Category_D_and_X_L1000_Similarity": -0.314623, "FDA_Category_D_and_X_Structural_Similarity": -0.88472, "FDA_Category_D_and_X_Weighted_Contribution": -0.930976, "FDA_Category_D_and_X_Top_Rank": -0.0942849, "Placenta_Crossing_L1000_Similarity": 0.0617833, "Placenta_Crossing_Structural_Similarity": -0.913346, "Placenta_Crossing_Weighted_Contribution": -0.824513, "Placenta_Crossing_Top_Rank": -0.0878586, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24747273": { "type": "Drug", "properties": { "id": "CID:24747273", "label": "psh-010", "lsm": "LSM-3844", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747273", "FDA_Category_D_L1000_Similarity": 0.457245, "FDA_Category_D_Structural_Similarity": -0.455813, "FDA_Category_D_Weighted_Contribution": -0.280914, "FDA_Category_D_Top_Rank": -0.0861071, "FDA_Category_X_L1000_Similarity": 0.692137, "FDA_Category_X_Structural_Similarity": -0.645117, "FDA_Category_X_Weighted_Contribution": -0.393509, "FDA_Category_X_Top_Rank": -0.0793001, "FDA_Category_D_and_X_L1000_Similarity": 0.604334, "FDA_Category_D_and_X_Structural_Similarity": -0.709887, "FDA_Category_D_and_X_Weighted_Contribution": -0.446636, "FDA_Category_D_and_X_Top_Rank": -0.0833455, "Placenta_Crossing_L1000_Similarity": 0.337523, "Placenta_Crossing_Structural_Similarity": -1.06207, "Placenta_Crossing_Weighted_Contribution": -0.830353, "Placenta_Crossing_Top_Rank": -0.0852405, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=CC=C4OC)C5=CC=CC=C5N2)C", "InChI_key": "WHJOFSJBUCQZAT-GOSISDBHSA-N" } }, "CID:24771824": { "type": "Drug", "properties": { "id": "CID:24771824", "label": "pf-04457845", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24771824", "FDA_Category_D_L1000_Similarity": -0.834994, "FDA_Category_D_Structural_Similarity": -0.684255, "FDA_Category_D_Weighted_Contribution": -1.00126, "FDA_Category_D_Top_Rank": -0.0957221, "FDA_Category_X_L1000_Similarity": 1.03484, "FDA_Category_X_Structural_Similarity": -0.282997, "FDA_Category_X_Weighted_Contribution": 0.107418, "FDA_Category_X_Top_Rank": -0.0703826, "FDA_Category_D_and_X_L1000_Similarity": -0.405512, "FDA_Category_D_and_X_Structural_Similarity": -0.695806, "FDA_Category_D_and_X_Weighted_Contribution": -0.844485, "FDA_Category_D_and_X_Top_Rank": -0.0946925, "Placenta_Crossing_L1000_Similarity": 1.73907, "Placenta_Crossing_Structural_Similarity": 1.39275, "Placenta_Crossing_Weighted_Contribution": 2.2078, "Placenta_Crossing_Top_Rank": -0.0094135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4", "InChI_key": "BATCTBJIJJEPHM-UHFFFAOYSA-N" } }, "CID:24776445": { "type": "Drug", "properties": { "id": "CID:24776445", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24776445", "label": "vismodegib", "FDA_Category_D_L1000_Similarity": 0.447044, "FDA_Category_D_Structural_Similarity": -0.431842, "FDA_Category_D_Weighted_Contribution": -0.265277, "FDA_Category_D_Top_Rank": -0.0863214, "FDA_Category_X_L1000_Similarity": -0.302358, "FDA_Category_X_Structural_Similarity": 0.255823, "FDA_Category_X_Weighted_Contribution": -0.021667, "FDA_Category_X_Top_Rank": -0.0713835, "FDA_Category_D_and_X_L1000_Similarity": 0.29354, "FDA_Category_D_and_X_Structural_Similarity": -0.204717, "FDA_Category_D_and_X_Weighted_Contribution": -0.168891, "FDA_Category_D_and_X_Top_Rank": -0.0890352, "Placenta_Crossing_L1000_Similarity": 1.73721, "Placenta_Crossing_Structural_Similarity": -0.0483372, "Placenta_Crossing_Weighted_Contribution": 0.686626, "Placenta_Crossing_Top_Rank": -0.0101375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl", "InChI_key": "BPQMGSKTAYIVFO-UHFFFAOYSA-N" } }, "CID:24861442": { "type": "Drug", "properties": { "id": "CID:24861442", "label": "Fluoro-SAHA", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24861442", "FDA_Category_D_L1000_Similarity": -0.425645, "FDA_Category_D_Structural_Similarity": 1.44307, "FDA_Category_D_Weighted_Contribution": 1.11204, "FDA_Category_D_Top_Rank": -0.0232656, "FDA_Category_X_L1000_Similarity": -1.37005, "FDA_Category_X_Structural_Similarity": -0.158034, "FDA_Category_X_Weighted_Contribution": -0.823052, "FDA_Category_X_Top_Rank": -0.0835867, "FDA_Category_D_and_X_L1000_Similarity": -0.782971, "FDA_Category_D_and_X_Structural_Similarity": 1.06011, "FDA_Category_D_and_X_Weighted_Contribution": 0.462354, "FDA_Category_D_and_X_Top_Rank": -0.0492806, "Placenta_Crossing_L1000_Similarity": -1.04571, "Placenta_Crossing_Structural_Similarity": 0.312256, "Placenta_Crossing_Weighted_Contribution": -0.324676, "Placenta_Crossing_Top_Rank": -0.074763, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:25126798": { "type": "Drug", "properties": { "id": "CID:25126798", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25126798", "label": "ruxolitinib", "FDA_Category_D_L1000_Similarity": 1.88383, "FDA_Category_D_Structural_Similarity": -0.537802, "FDA_Category_D_Weighted_Contribution": 0.439237, "FDA_Category_D_Top_Rank": 0.109549, "FDA_Category_X_L1000_Similarity": 2.19995, "FDA_Category_X_Structural_Similarity": -0.53301, "FDA_Category_X_Weighted_Contribution": 0.454213, "FDA_Category_X_Top_Rank": 0.0505096, "FDA_Category_D_and_X_L1000_Similarity": 2.29198, "FDA_Category_D_and_X_Structural_Similarity": -0.714471, "FDA_Category_D_and_X_Weighted_Contribution": 0.410825, "FDA_Category_D_and_X_Top_Rank": 0.282315, "Placenta_Crossing_L1000_Similarity": 2.57849, "Placenta_Crossing_Structural_Similarity": -0.689577, "Placenta_Crossing_Weighted_Contribution": 0.463459, "Placenta_Crossing_Top_Rank": 0.341899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3", "InChI_key": "HFNKQEVNSGCOJV-OAHLLOKOSA-N" } }, "CID:25260757": { "type": "Drug", "properties": { "id": "CID:25260757", "label": "wye-125132", "lsm": "LSM-1064", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25260757", "FDA_Category_D_L1000_Similarity": -1.54329, "FDA_Category_D_Structural_Similarity": -0.0525835, "FDA_Category_D_Weighted_Contribution": -0.865732, "FDA_Category_D_Top_Rank": -0.0863753, "FDA_Category_X_L1000_Similarity": -2.1938, "FDA_Category_X_Structural_Similarity": -0.205149, "FDA_Category_X_Weighted_Contribution": -1.11873, "FDA_Category_X_Top_Rank": -0.0846984, "FDA_Category_D_and_X_L1000_Similarity": -1.99656, "FDA_Category_D_and_X_Structural_Similarity": -0.152434, "FDA_Category_D_and_X_Weighted_Contribution": -1.05327, "FDA_Category_D_and_X_Top_Rank": -0.0893361, "Placenta_Crossing_L1000_Similarity": -1.61429, "Placenta_Crossing_Structural_Similarity": -0.480224, "Placenta_Crossing_Weighted_Contribution": -1.07715, "Placenta_Crossing_Top_Rank": -0.0895215, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7", "InChI_key": "QLHHRYZMBGPBJG-UHFFFAOYSA-N" } }, "CID:2581": { "type": "Drug", "properties": { "id": "CID:2581", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2581", "label": "carprofen", "FDA_Category_D_L1000_Similarity": 1.74503, "FDA_Category_D_Structural_Similarity": -0.327623, "FDA_Category_D_Weighted_Contribution": 0.57365, "FDA_Category_D_Top_Rank": 0.0559367, "FDA_Category_X_L1000_Similarity": 1.01619, "FDA_Category_X_Structural_Similarity": -0.364412, "FDA_Category_X_Weighted_Contribution": 0.0171019, "FDA_Category_X_Top_Rank": -0.0709194, "FDA_Category_D_and_X_L1000_Similarity": 1.81285, "FDA_Category_D_and_X_Structural_Similarity": -0.456674, "FDA_Category_D_and_X_Weighted_Contribution": 0.39995, "FDA_Category_D_and_X_Top_Rank": 0.0346508, "Placenta_Crossing_L1000_Similarity": 1.05205, "Placenta_Crossing_Structural_Similarity": -0.500414, "Placenta_Crossing_Weighted_Contribution": -0.104469, "Placenta_Crossing_Top_Rank": -0.0684596, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O", "InChI_key": "PUXBGTOOZJQSKH-UHFFFAOYSA-N" } }, "CID:2727": { "type": "Drug", "properties": { "id": "CID:2727", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2727", "label": "chlorpropamide", "FDA_Category_D_L1000_Similarity": 0.514847, "FDA_Category_D_Structural_Similarity": -0.523216, "FDA_Category_D_Weighted_Contribution": -0.309939, "FDA_Category_D_Top_Rank": -0.0849653, "FDA_Category_X_L1000_Similarity": 1.81289, "FDA_Category_X_Structural_Similarity": -0.637546, "FDA_Category_X_Weighted_Contribution": 0.142554, "FDA_Category_X_Top_Rank": -0.0175579, "FDA_Category_D_and_X_L1000_Similarity": 0.994354, "FDA_Category_D_and_X_Structural_Similarity": -0.759301, "FDA_Category_D_and_X_Weighted_Contribution": -0.308166, "FDA_Category_D_and_X_Top_Rank": -0.0694847, "Placenta_Crossing_L1000_Similarity": 2.09419, "Placenta_Crossing_Structural_Similarity": 0.0100699, "Placenta_Crossing_Weighted_Contribution": 0.941787, "Placenta_Crossing_Top_Rank": 0.072487, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl", "InChI_key": "RKWGIWYCVPQPMF-UHFFFAOYSA-N" } }, "CID:2730": { "type": "Drug", "properties": { "id": "CID:2730", "label": "chlorpyrifos", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2730", "FDA_Category_D_L1000_Similarity": 0.99956, "FDA_Category_D_Structural_Similarity": 3.88348, "FDA_Category_D_Weighted_Contribution": 3.80668, "FDA_Category_D_Top_Rank": 0.482824, "FDA_Category_X_L1000_Similarity": -1.29542, "FDA_Category_X_Structural_Similarity": -0.281923, "FDA_Category_X_Weighted_Contribution": -0.883344, "FDA_Category_X_Top_Rank": -0.0861573, "FDA_Category_D_and_X_L1000_Similarity": 0.468246, "FDA_Category_D_and_X_Structural_Similarity": 2.93025, "FDA_Category_D_and_X_Weighted_Contribution": 2.97778, "FDA_Category_D_and_X_Top_Rank": 0.189908, "Placenta_Crossing_L1000_Similarity": -0.0146837, "Placenta_Crossing_Structural_Similarity": 2.34842, "Placenta_Crossing_Weighted_Contribution": 2.27192, "Placenta_Crossing_Top_Rank": 0.0682824, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1 } }, "CID:2754": { "type": "Drug", "properties": { "id": "CID:2754", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2754", "label": "cilostazol", "FDA_Category_D_L1000_Similarity": 0.343384, "FDA_Category_D_Structural_Similarity": 1.31643, "FDA_Category_D_Weighted_Contribution": 1.46601, "FDA_Category_D_Top_Rank": -0.0332731, "FDA_Category_X_L1000_Similarity": 1.66624, "FDA_Category_X_Structural_Similarity": -0.468709, "FDA_Category_X_Weighted_Contribution": 0.240328, "FDA_Category_X_Top_Rank": -0.0335238, "FDA_Category_D_and_X_L1000_Similarity": 0.802011, "FDA_Category_D_and_X_Structural_Similarity": 0.791953, "FDA_Category_D_and_X_Weighted_Contribution": 1.11431, "FDA_Category_D_and_X_Top_Rank": -0.063526, "Placenta_Crossing_L1000_Similarity": -0.299372, "Placenta_Crossing_Structural_Similarity": -0.0784831, "Placenta_Crossing_Weighted_Contribution": -0.334873, "Placenta_Crossing_Top_Rank": -0.0837819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4", "InChI_key": "RRGUKTPIGVIEKM-UHFFFAOYSA-N" } }, "CID:2801": { "type": "Drug", "properties": { "id": "CID:2801", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2801", "label": "clomipramine", "ref": "LSM-3171", "FDA_Category_D_L1000_Similarity": 0.126519, "FDA_Category_D_Structural_Similarity": -0.666912, "FDA_Category_D_Weighted_Contribution": -0.609462, "FDA_Category_D_Top_Rank": -0.0909938, "FDA_Category_X_L1000_Similarity": 1.91143, "FDA_Category_X_Structural_Similarity": -0.234621, "FDA_Category_X_Weighted_Contribution": 0.621516, "FDA_Category_X_Top_Rank": -0.0035503, "FDA_Category_D_and_X_L1000_Similarity": 0.689526, "FDA_Category_D_and_X_Structural_Similarity": -0.655938, "FDA_Category_D_and_X_Weighted_Contribution": -0.364318, "FDA_Category_D_and_X_Top_Rank": -0.0815219, "Placenta_Crossing_L1000_Similarity": -0.412613, "Placenta_Crossing_Structural_Similarity": -0.0424638, "Placenta_Crossing_Weighted_Contribution": -0.352811, "Placenta_Crossing_Top_Rank": -0.0831074, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl", "InChI_key": "GDLIGKIOYRNHDA-UHFFFAOYSA-N" } }, "CID:2858523": { "type": "Drug", "properties": { "id": "CID:2858523", "label": "chembl-374350", "lsm": "LSM-3337", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2858523", "FDA_Category_D_L1000_Similarity": -1.52712, "FDA_Category_D_Structural_Similarity": -0.441386, "FDA_Category_D_Weighted_Contribution": -1.0945, "FDA_Category_D_Top_Rank": -0.0934529, "FDA_Category_X_L1000_Similarity": 0.672385, "FDA_Category_X_Structural_Similarity": -0.632778, "FDA_Category_X_Weighted_Contribution": -0.39138, "FDA_Category_X_Top_Rank": -0.0797332, "FDA_Category_D_and_X_L1000_Similarity": -1.11221, "FDA_Category_D_and_X_Structural_Similarity": -0.691778, "FDA_Category_D_and_X_Weighted_Contribution": -1.07716, "FDA_Category_D_and_X_Top_Rank": -0.095375, "Placenta_Crossing_L1000_Similarity": -1.94732, "Placenta_Crossing_Structural_Similarity": -0.142762, "Placenta_Crossing_Weighted_Contribution": -0.98067, "Placenta_Crossing_Top_Rank": -0.0850643, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C", "InChI_key": "CYCGGKILBWERDJ-UHFFFAOYSA-N" } }, "CID:2882": { "type": "Drug", "properties": { "id": "CID:2882", "label": "cromoglicic acid", "lsm": "LSM-5370", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2882", "FDA_Category_D_L1000_Similarity": 0.00492137, "FDA_Category_D_Structural_Similarity": -0.902488, "FDA_Category_D_Weighted_Contribution": -0.828177, "FDA_Category_D_Top_Rank": -0.0921288, "FDA_Category_X_L1000_Similarity": 1.55464, "FDA_Category_X_Structural_Similarity": -0.122851, "FDA_Category_X_Weighted_Contribution": 0.548525, "FDA_Category_X_Top_Rank": -0.0433323, "FDA_Category_D_and_X_L1000_Similarity": 0.476353, "FDA_Category_D_and_X_Structural_Similarity": -0.782606, "FDA_Category_D_and_X_Weighted_Contribution": -0.558786, "FDA_Category_D_and_X_Top_Rank": -0.0861404, "Placenta_Crossing_L1000_Similarity": 0.423465, "Placenta_Crossing_Structural_Similarity": -0.609061, "Placenta_Crossing_Weighted_Contribution": -0.468941, "Placenta_Crossing_Top_Rank": -0.0841475, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O", "InChI_key": "IMZMKUWMOSJXDT-UHFFFAOYSA-N" } }, "CID:323": { "type": "Drug", "properties": { "id": "CID:323", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/323", "label": "coumarin", "ref": "LSM-2519", "FDA_Category_D_L1000_Similarity": 2.03979, "FDA_Category_D_Structural_Similarity": 0.850271, "FDA_Category_D_Weighted_Contribution": 2.02732, "FDA_Category_D_Top_Rank": 0.223139, "FDA_Category_X_L1000_Similarity": 2.10077, "FDA_Category_X_Structural_Similarity": 1.25456, "FDA_Category_X_Weighted_Contribution": 2.38194, "FDA_Category_X_Top_Rank": 0.0289518, "FDA_Category_D_and_X_L1000_Similarity": 2.3963, "FDA_Category_D_and_X_Structural_Similarity": 1.35183, "FDA_Category_D_and_X_Weighted_Contribution": 2.57538, "FDA_Category_D_and_X_Top_Rank": 0.360008, "Placenta_Crossing_L1000_Similarity": 2.21143, "Placenta_Crossing_Structural_Similarity": 1.22033, "Placenta_Crossing_Weighted_Contribution": 2.27311, "Placenta_Crossing_Top_Rank": 0.110739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=CC(=O)O2", "InChI_key": "ZYGHJZDHTFUPRJ-UHFFFAOYSA-N" } }, "CID:3292447": { "type": "Drug", "properties": { "id": "CID:3292447", "label": "sb-216641", "lsm": "LSM-2671", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3292447", "FDA_Category_D_L1000_Similarity": -1.83401, "FDA_Category_D_Structural_Similarity": 0.869657, "FDA_Category_D_Weighted_Contribution": -0.294964, "FDA_Category_D_Top_Rank": -0.0576295, "FDA_Category_X_L1000_Similarity": 2.74074, "FDA_Category_X_Structural_Similarity": 3.18179, "FDA_Category_X_Weighted_Contribution": 4.01124, "FDA_Category_X_Top_Rank": 0.318899, "FDA_Category_D_and_X_L1000_Similarity": -0.748637, "FDA_Category_D_and_X_Structural_Similarity": 2.40714, "FDA_Category_D_and_X_Weighted_Contribution": 1.90157, "FDA_Category_D_and_X_Top_Rank": 0.0889915, "Placenta_Crossing_L1000_Similarity": -1.55419, "Placenta_Crossing_Structural_Similarity": -0.271111, "Placenta_Crossing_Weighted_Contribution": -0.937724, "Placenta_Crossing_Top_Rank": -0.0870358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OCCN(C)C", "InChI_key": "JRNUKVFYILMMLX-UHFFFAOYSA-N" } }, "CID:3476": { "type": "Drug", "properties": { "id": "CID:3476", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3476", "label": "glimepiride", "FDA_Category_D_L1000_Similarity": 1.9218, "FDA_Category_D_Structural_Similarity": -0.117732, "FDA_Category_D_Weighted_Contribution": 0.909114, "FDA_Category_D_Top_Rank": 0.136134, "FDA_Category_X_L1000_Similarity": 2.28618, "FDA_Category_X_Structural_Similarity": 0.60056, "FDA_Category_X_Weighted_Contribution": 1.77699, "FDA_Category_X_Top_Rank": 0.0746243, "FDA_Category_D_and_X_L1000_Similarity": 2.35089, "FDA_Category_D_and_X_Structural_Similarity": 0.230615, "FDA_Category_D_and_X_Weighted_Contribution": 1.4426, "FDA_Category_D_and_X_Top_Rank": 0.322278, "Placenta_Crossing_L1000_Similarity": 1.85521, "Placenta_Crossing_Structural_Similarity": -0.357712, "Placenta_Crossing_Weighted_Contribution": 0.427598, "Placenta_Crossing_Top_Rank": 0.00953797, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O", "InChI_key": "WIGIZIANZCJQQY-RUCARUNLSA-N" } }, "CID:35370": { "type": "Drug", "properties": { "id": "CID:35370", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/35370", "label": "zidovudine", "ref": "LSM-5806", "FDA_Category_D_L1000_Similarity": 0.888761, "FDA_Category_D_Structural_Similarity": 1.83751, "FDA_Category_D_Weighted_Contribution": 2.3409, "FDA_Category_D_Top_Rank": 0.0227974, "FDA_Category_X_L1000_Similarity": 0.24661, "FDA_Category_X_Structural_Similarity": -0.232915, "FDA_Category_X_Weighted_Contribution": -0.224441, "FDA_Category_X_Top_Rank": -0.0851891, "FDA_Category_D_and_X_L1000_Similarity": 0.841016, "FDA_Category_D_and_X_Structural_Similarity": 1.33278, "FDA_Category_D_and_X_Weighted_Contribution": 1.7125, "FDA_Category_D_and_X_Top_Rank": -0.0281821, "Placenta_Crossing_L1000_Similarity": 0.997484, "Placenta_Crossing_Structural_Similarity": 3.78522, "Placenta_Crossing_Weighted_Contribution": 3.66705, "Placenta_Crossing_Top_Rank": 0.43779, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]", "InChI_key": "HBOMLICNUCNMMY-XLPZGREQSA-N" } }, "CID:3598": { "type": "Drug", "properties": { "id": "CID:3598", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3598", "label": "hexachlorophene", "ref": "LSM-6032", "FDA_Category_D_L1000_Similarity": -1.59144, "FDA_Category_X_L1000_Similarity": -1.96541, "FDA_Category_D_and_X_L1000_Similarity": -1.96871, "Placenta_Crossing_L1000_Similarity": -1.93289, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl", "InChI_key": "ACGUYXCXAPNIKK-UHFFFAOYSA-N" } }, "CID:36462": { "type": "Drug", "properties": { "id": "CID:36462", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID36462", "label": "etoposide", "FDA_Category_D_L1000_Similarity": -0.608847, "FDA_Category_D_Structural_Similarity": 1.94733, "FDA_Category_D_Weighted_Contribution": 1.54567, "FDA_Category_D_Top_Rank": 0.0407873, "FDA_Category_X_L1000_Similarity": -3.51552, "FDA_Category_X_Structural_Similarity": 0.937133, "FDA_Category_X_Weighted_Contribution": -0.807696, "FDA_Category_X_Top_Rank": -0.0438235, "FDA_Category_D_and_X_L1000_Similarity": -1.59243, "FDA_Category_D_and_X_Structural_Similarity": 2.05129, "FDA_Category_D_and_X_Weighted_Contribution": 1.02561, "FDA_Category_D_and_X_Top_Rank": 0.0423198, "Placenta_Crossing_L1000_Similarity": -3.04186, "Placenta_Crossing_Structural_Similarity": 0.437922, "Placenta_Crossing_Weighted_Contribution": -0.96547, "Placenta_Crossing_Top_Rank": -0.0714403, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O", "InChI_key": "VJJPUSNTGOMMGY-MRVIYFEKSA-N" } }, "CID:3784": { "type": "Drug", "properties": { "id": "CID:3784", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3784", "label": "isradipine", "FDA_Category_D_L1000_Similarity": 2.05447, "FDA_Category_D_Structural_Similarity": 3.00349, "FDA_Category_D_Weighted_Contribution": 3.68787, "FDA_Category_D_Top_Rank": 0.238676, "FDA_Category_X_L1000_Similarity": -0.179673, "FDA_Category_X_Structural_Similarity": -0.678671, "FDA_Category_X_Weighted_Contribution": -0.769026, "FDA_Category_X_Top_Rank": -0.088669, "FDA_Category_D_and_X_L1000_Similarity": 1.71643, "FDA_Category_D_and_X_Structural_Similarity": 2.01771, "FDA_Category_D_and_X_Weighted_Contribution": 2.81371, "FDA_Category_D_and_X_Top_Rank": 0.0363218, "Placenta_Crossing_L1000_Similarity": 2.12676, "Placenta_Crossing_Structural_Similarity": -0.493988, "Placenta_Crossing_Weighted_Contribution": 0.429113, "Placenta_Crossing_Top_Rank": 0.08277, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC", "InChI_key": "HMJIYCCIJYRONP-UHFFFAOYSA-N" } }, "CID:3795": { "type": "Drug", "properties": { "id": "CID:3795", "label": "jak3-inhibitor-ii", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3795", "FDA_Category_D_L1000_Similarity": -2.24178, "FDA_Category_D_Structural_Similarity": 0.921679, "FDA_Category_D_Weighted_Contribution": -0.451306, "FDA_Category_D_Top_Rank": -0.0541771, "FDA_Category_X_L1000_Similarity": -1.87887, "FDA_Category_X_Structural_Similarity": -0.517636, "FDA_Category_X_Weighted_Contribution": -1.20533, "FDA_Category_X_Top_Rank": -0.0900684, "FDA_Category_D_and_X_L1000_Similarity": -2.50303, "FDA_Category_D_and_X_Structural_Similarity": 0.452235, "FDA_Category_D_and_X_Weighted_Contribution": -0.862297, "FDA_Category_D_and_X_Top_Rank": -0.0754115, "Placenta_Crossing_L1000_Similarity": -2.07616, "Placenta_Crossing_Structural_Similarity": -0.58896, "Placenta_Crossing_Weighted_Contribution": -1.2514, "Placenta_Crossing_Top_Rank": -0.0904614, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OC", "InChI_key": "CBIAKDAYHRWZCU-UHFFFAOYSA-N" } }, "CID:3820": { "type": "Drug", "properties": { "id": "CID:3820", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3820", "label": "kenpaullone", "FDA_Category_D_L1000_Similarity": 1.39952, "FDA_Category_D_Structural_Similarity": -0.949189, "FDA_Category_D_Weighted_Contribution": -0.229864, "FDA_Category_D_Top_Rank": -0.0245767, "FDA_Category_X_L1000_Similarity": -1.14912, "FDA_Category_X_Structural_Similarity": -0.750003, "FDA_Category_X_Weighted_Contribution": -1.13147, "FDA_Category_X_Top_Rank": -0.0914874, "FDA_Category_D_and_X_L1000_Similarity": 0.857444, "FDA_Category_D_and_X_Structural_Similarity": -1.15808, "FDA_Category_D_and_X_Weighted_Contribution": -0.677685, "FDA_Category_D_and_X_Top_Rank": -0.07574, "Placenta_Crossing_L1000_Similarity": 0.619609, "Placenta_Crossing_Structural_Similarity": -1.04248, "Placenta_Crossing_Weighted_Contribution": -0.71944, "Placenta_Crossing_Top_Rank": -0.0805901, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br", "InChI_key": "QQUXFYAWXPMDOE-UHFFFAOYSA-N" } }, "CID:4032": { "type": "Drug", "properties": { "id": "CID:4032", "label": "mecamylamine", "lsm": "LSM-4990", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4032", "IDG_ID": "1646", "FDA_Category_D_L1000_Similarity": 1.22022, "FDA_Category_D_Structural_Similarity": -0.845532, "FDA_Category_D_Weighted_Contribution": -0.231041, "FDA_Category_D_Top_Rank": -0.0469441, "FDA_Category_X_L1000_Similarity": 2.21568, "FDA_Category_X_Structural_Similarity": 1.89012, "FDA_Category_X_Weighted_Contribution": 3.03431, "FDA_Category_X_Top_Rank": 0.0551231, "FDA_Category_D_and_X_L1000_Similarity": 1.72471, "FDA_Category_D_and_X_Structural_Similarity": 0.34879, "FDA_Category_D_and_X_Weighted_Contribution": 1.19366, "FDA_Category_D_and_X_Top_Rank": 0.0155899, "Placenta_Crossing_L1000_Similarity": 2.16316, "Placenta_Crossing_Structural_Similarity": -0.871759, "Placenta_Crossing_Weighted_Contribution": 0.0742936, "Placenta_Crossing_Top_Rank": 0.0936872, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2CCC(C2)C1(C)NC)C", "InChI_key": "IMYZQPCYWPFTAG-UHFFFAOYSA-N" } }, "CID:4038180": { "type": "Drug", "properties": { "id": "CID:4038180", "label": "A-61603", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4038180", "FDA_Category_D_L1000_Similarity": -0.655863, "FDA_Category_D_Structural_Similarity": 0.901877, "FDA_Category_D_Weighted_Contribution": 0.390337, "FDA_Category_D_Top_Rank": -0.0553979, "FDA_Category_X_L1000_Similarity": 0.379252, "FDA_Category_X_Structural_Similarity": -0.0699464, "FDA_Category_X_Weighted_Contribution": -0.00671295, "FDA_Category_X_Top_Rank": -0.0814242, "FDA_Category_D_and_X_L1000_Similarity": -0.45019, "FDA_Category_D_and_X_Structural_Similarity": 0.678089, "FDA_Category_D_and_X_Weighted_Contribution": 0.266695, "FDA_Category_D_and_X_Top_Rank": -0.0679677, "Placenta_Crossing_L1000_Similarity": -0.207496, "Placenta_Crossing_Structural_Similarity": 0.846651, "Placenta_Crossing_Weighted_Contribution": 0.590583, "Placenta_Crossing_Top_Rank": -0.057644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4139": { "type": "Drug", "properties": { "id": "CID:4139", "label": "methylthioninium", "lsm": "LSM-4555", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4139", "FDA_Category_D_L1000_Similarity": -0.272942, "FDA_Category_D_Structural_Similarity": 1.43207, "FDA_Category_D_Weighted_Contribution": 1.19787, "FDA_Category_D_Top_Rank": -0.0241445, "FDA_Category_X_L1000_Similarity": -2.72594, "FDA_Category_X_Structural_Similarity": -0.653877, "FDA_Category_X_Weighted_Contribution": -1.46846, "FDA_Category_X_Top_Rank": -0.0915887, "FDA_Category_D_and_X_L1000_Similarity": -1.0631, "FDA_Category_D_and_X_Structural_Similarity": 0.78382, "FDA_Category_D_and_X_Weighted_Contribution": 0.0383429, "FDA_Category_D_and_X_Top_Rank": -0.0639564, "Placenta_Crossing_L1000_Similarity": -0.810596, "Placenta_Crossing_Structural_Similarity": -0.709389, "Placenta_Crossing_Weighted_Contribution": -0.974685, "Placenta_Crossing_Top_Rank": -0.0912957, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2", "InChI_key": "RBTBFTRPCNLSDE-UHFFFAOYSA-N" } }, "CID:4212": { "type": "Drug", "properties": { "id": "CID:4212", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4212", "label": "mitoxantrone", "FDA_Category_D_L1000_Similarity": 1.30353, "FDA_Category_D_Structural_Similarity": 0.875531, "FDA_Category_D_Weighted_Contribution": 1.59772, "FDA_Category_D_Top_Rank": -0.0372788, "FDA_Category_X_L1000_Similarity": -2.92173, "FDA_Category_X_Structural_Similarity": -0.19223, "FDA_Category_X_Weighted_Contribution": -1.30623, "FDA_Category_X_Top_Rank": -0.0844132, "FDA_Category_D_and_X_L1000_Similarity": 0.236393, "FDA_Category_D_and_X_Structural_Similarity": 0.591194, "FDA_Category_D_and_X_Weighted_Contribution": 0.567371, "FDA_Category_D_and_X_Top_Rank": -0.0711617, "Placenta_Crossing_L1000_Similarity": -1.62875, "Placenta_Crossing_Structural_Similarity": -0.564089, "Placenta_Crossing_Weighted_Contribution": -1.12631, "Placenta_Crossing_Top_Rank": -0.0902695, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO", "InChI_key": "KKZJGLLVHKMTCM-UHFFFAOYSA-N" } }, "CID:44129591": { "type": "Drug", "properties": { "id": "CID:44129591", "label": "vu-0366968", "lsm": "LSM-2285", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44129591", "FDA_Category_D_L1000_Similarity": -0.0194506, "FDA_Category_D_Structural_Similarity": -0.260411, "FDA_Category_D_Weighted_Contribution": -0.352544, "FDA_Category_D_Top_Rank": -0.0906672, "FDA_Category_X_L1000_Similarity": 0.901398, "FDA_Category_X_Structural_Similarity": -0.161431, "FDA_Category_X_Weighted_Contribution": 0.162875, "FDA_Category_X_Top_Rank": -0.0743585, "FDA_Category_D_and_X_L1000_Similarity": 0.25697, "FDA_Category_D_and_X_Structural_Similarity": -0.293799, "FDA_Category_D_and_X_Weighted_Contribution": -0.263984, "FDA_Category_D_and_X_Top_Rank": -0.0895265, "Placenta_Crossing_L1000_Similarity": 0.28366, "Placenta_Crossing_Structural_Similarity": -0.703608, "Placenta_Crossing_Weighted_Contribution": -0.596917, "Placenta_Crossing_Top_Rank": -0.0858063, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NO1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl", "InChI_key": "BYFJVTLVJDOCMV-UHFFFAOYSA-N" } }, "CID:44137675": { "type": "Drug", "properties": { "id": "CID:44137675", "label": "azd-6482", "lsm": "LSM-1059", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44137675", "FDA_Category_D_L1000_Similarity": -1.1376, "FDA_Category_D_Structural_Similarity": -0.799721, "FDA_Category_D_Weighted_Contribution": -1.16432, "FDA_Category_D_Top_Rank": -0.0964653, "FDA_Category_X_L1000_Similarity": 1.26614, "FDA_Category_X_Structural_Similarity": 0.653812, "FDA_Category_X_Weighted_Contribution": 1.25837, "FDA_Category_X_Top_Rank": -0.0556899, "FDA_Category_D_and_X_L1000_Similarity": -0.596124, "FDA_Category_D_and_X_Structural_Similarity": -0.281955, "FDA_Category_D_and_X_Weighted_Contribution": -0.633492, "FDA_Category_D_and_X_Top_Rank": -0.0914598, "Placenta_Crossing_L1000_Similarity": 0.051615, "Placenta_Crossing_Structural_Similarity": 1.53049, "Placenta_Crossing_Weighted_Contribution": 1.46428, "Placenta_Crossing_Top_Rank": -0.0173877, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4", "InChI_key": "IRTDIKMSKMREGO-OAHLLOKOSA-N" } }, "CID:44143703": { "type": "Drug", "properties": { "id": "CID:44143703", "label": "ku-c103428n", "lsm": "LSM-1833", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44143703", "FDA_Category_D_L1000_Similarity": -0.406544, "FDA_Category_D_Structural_Similarity": 0.263537, "FDA_Category_D_Weighted_Contribution": -0.0900376, "FDA_Category_D_Top_Rank": -0.0782189, "FDA_Category_X_L1000_Similarity": 0.705925, "FDA_Category_X_Structural_Similarity": -0.248066, "FDA_Category_X_Weighted_Contribution": -0.0210233, "FDA_Category_X_Top_Rank": -0.079013, "FDA_Category_D_and_X_L1000_Similarity": -0.136077, "FDA_Category_D_and_X_Structural_Similarity": 0.0753169, "FDA_Category_D_and_X_Weighted_Contribution": -0.134144, "FDA_Category_D_and_X_Top_Rank": -0.0846809, "Placenta_Crossing_L1000_Similarity": 0.215293, "Placenta_Crossing_Structural_Similarity": 3.22706, "Placenta_Crossing_Weighted_Contribution": 3.11086, "Placenta_Crossing_Top_Rank": 0.262659, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)Br", "InChI_key": "YTYYWJOOCWVVKJ-UHFFFAOYSA-N" } }, "CID:441853": { "type": "Drug", "properties": { "id": "CID:441853", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441853", "label": "cymarin", "FDA_Category_D_L1000_Similarity": -1.23724, "FDA_Category_D_Structural_Similarity": -0.318736, "FDA_Category_D_Weighted_Contribution": -0.921588, "FDA_Category_D_Top_Rank": -0.0916881, "FDA_Category_X_L1000_Similarity": -3.02282, "FDA_Category_X_Structural_Similarity": -0.0624138, "FDA_Category_X_Weighted_Contribution": -1.26671, "FDA_Category_X_Top_Rank": -0.0812353, "FDA_Category_D_and_X_L1000_Similarity": -1.98449, "FDA_Category_D_and_X_Structural_Similarity": -0.286663, "FDA_Category_D_and_X_Weighted_Contribution": -1.12176, "FDA_Category_D_and_X_Top_Rank": -0.0915271, "Placenta_Crossing_L1000_Similarity": -1.92421, "Placenta_Crossing_Structural_Similarity": -0.11061, "Placenta_Crossing_Weighted_Contribution": -0.954322, "Placenta_Crossing_Top_Rank": -0.0843991, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O", "InChI_key": "XQCGNURMLWFQJR-ZNDDOCHDSA-N" } }, "CID:444": { "type": "Drug", "properties": { "id": "CID:444", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/444", "label": "bupropion", "ref": "LSM-1267", "FDA_Category_D_L1000_Similarity": 1.27867, "FDA_Category_D_Structural_Similarity": -0.613576, "FDA_Category_D_Weighted_Contribution": 0.0124276, "FDA_Category_D_Top_Rank": -0.0398897, "FDA_Category_X_L1000_Similarity": 3.06863, "FDA_Category_X_Structural_Similarity": -0.454966, "FDA_Category_X_Weighted_Contribution": 1.02286, "FDA_Category_X_Top_Rank": 0.61509, "FDA_Category_D_and_X_L1000_Similarity": 2.03412, "FDA_Category_D_and_X_Structural_Similarity": -0.732501, "FDA_Category_D_and_X_Weighted_Contribution": 0.249047, "FDA_Category_D_and_X_Top_Rank": 0.112007, "Placenta_Crossing_L1000_Similarity": 2.61495, "Placenta_Crossing_Structural_Similarity": -0.886256, "Placenta_Crossing_Weighted_Contribution": 0.283358, "Placenta_Crossing_Top_Rank": 0.364475, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C", "InChI_key": "SNPPWIUOZRMYNY-UHFFFAOYSA-N" } }, "CID:44484222": { "type": "Drug", "properties": { "id": "CID:44484222", "label": "SA-90024", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484222", "FDA_Category_D_L1000_Similarity": 0.647309, "FDA_Category_D_Structural_Similarity": -0.11834, "FDA_Category_D_Weighted_Contribution": 0.133055, "FDA_Category_D_Top_Rank": -0.0812392, "FDA_Category_X_L1000_Similarity": 1.29318, "FDA_Category_X_Structural_Similarity": -0.352437, "FDA_Category_X_Weighted_Contribution": 0.168013, "FDA_Category_X_Top_Rank": -0.0596901, "FDA_Category_D_and_X_L1000_Similarity": 0.950704, "FDA_Category_D_and_X_Structural_Similarity": -0.284101, "FDA_Category_D_and_X_Weighted_Contribution": 0.0957383, "FDA_Category_D_and_X_Top_Rank": -0.0717694, "Placenta_Crossing_L1000_Similarity": 0.835784, "Placenta_Crossing_Structural_Similarity": -0.334488, "Placenta_Crossing_Weighted_Contribution": -0.0531117, "Placenta_Crossing_Top_Rank": -0.0753333, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44498015": { "type": "Drug", "properties": { "id": "CID:44498015", "label": "SA-97110", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44498015", "FDA_Category_D_L1000_Similarity": -0.473362, "FDA_Category_D_Structural_Similarity": -0.747101, "FDA_Category_D_Weighted_Contribution": -0.90959, "FDA_Category_D_Top_Rank": -0.0950369, "FDA_Category_X_L1000_Similarity": -0.824036, "FDA_Category_X_Structural_Similarity": 0.277273, "FDA_Category_X_Weighted_Contribution": -0.247858, "FDA_Category_X_Top_Rank": -0.0706536, "FDA_Category_D_and_X_L1000_Similarity": -0.658293, "FDA_Category_D_and_X_Structural_Similarity": -0.443369, "FDA_Category_D_and_X_Weighted_Contribution": -0.771346, "FDA_Category_D_and_X_Top_Rank": -0.0934309, "Placenta_Crossing_L1000_Similarity": -0.222921, "Placenta_Crossing_Structural_Similarity": -0.83759, "Placenta_Crossing_Weighted_Contribution": -0.869316, "Placenta_Crossing_Top_Rank": -0.0896996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44503122": { "type": "Drug", "properties": { "id": "CID:44503122", "label": "SA-101776", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44503122", "FDA_Category_D_L1000_Similarity": 0.520906, "FDA_Category_X_L1000_Similarity": 1.60613, "FDA_Category_D_and_X_L1000_Similarity": 0.936788, "Placenta_Crossing_L1000_Similarity": 1.12119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4456": { "type": "Drug", "properties": { "id": "CID:4456", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4456", "label": "neostigmine", "FDA_Category_D_L1000_Similarity": 0.716712, "FDA_Category_D_Structural_Similarity": -0.498378, "FDA_Category_D_Weighted_Contribution": -0.18459, "FDA_Category_D_Top_Rank": -0.0790848, "FDA_Category_X_L1000_Similarity": 1.78816, "FDA_Category_X_Structural_Similarity": -0.481986, "FDA_Category_X_Weighted_Contribution": 0.289953, "FDA_Category_X_Top_Rank": -0.0210933, "FDA_Category_D_and_X_L1000_Similarity": 1.16085, "FDA_Category_D_and_X_Structural_Similarity": -0.655647, "FDA_Category_D_and_X_Weighted_Contribution": -0.137662, "FDA_Category_D_and_X_Top_Rank": -0.0581499, "Placenta_Crossing_L1000_Similarity": 2.50645, "Placenta_Crossing_Structural_Similarity": -0.717136, "Placenta_Crossing_Weighted_Contribution": 0.398043, "Placenta_Crossing_Top_Rank": 0.282996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C", "InChI_key": "ALWKGYPQUAPLQC-UHFFFAOYSA-N" } }, "CID:44631078": { "type": "Drug", "properties": { "id": "CID:44631078", "label": "ku-c104337", "lsm": "LSM-2893", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44631078", "FDA_Category_D_L1000_Similarity": -3.28048, "FDA_Category_D_Structural_Similarity": -0.66087, "FDA_Category_D_Weighted_Contribution": -1.60562, "FDA_Category_D_Top_Rank": -0.0955419, "FDA_Category_X_L1000_Similarity": -3.21754, "FDA_Category_X_Structural_Similarity": 0.574462, "FDA_Category_X_Weighted_Contribution": -0.953896, "FDA_Category_X_Top_Rank": -0.0587769, "FDA_Category_D_and_X_L1000_Similarity": -3.80494, "FDA_Category_D_and_X_Structural_Similarity": -0.214564, "FDA_Category_D_and_X_Weighted_Contribution": -1.51464, "FDA_Category_D_and_X_Top_Rank": -0.0904706, "Placenta_Crossing_L1000_Similarity": -4.47341, "Placenta_Crossing_Structural_Similarity": -0.447774, "Placenta_Crossing_Weighted_Contribution": -1.63377, "Placenta_Crossing_Top_Rank": -0.0892118, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C#CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=COC=C4)C5=CC(=CC=C5)Cl", "InChI_key": "HIHRDBPZNHRLGO-UHFFFAOYSA-N" } }, "CID:44819697": { "type": "Drug", "properties": { "id": "CID:44819697", "label": "cay-10618", "lsm": "LSM-4946", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44819697", "FDA_Category_D_L1000_Similarity": -0.716939, "FDA_Category_D_Structural_Similarity": 1.18534, "FDA_Category_D_Weighted_Contribution": 0.648978, "FDA_Category_D_Top_Rank": -0.0409848, "FDA_Category_X_L1000_Similarity": -0.882429, "FDA_Category_X_Structural_Similarity": -0.61593, "FDA_Category_X_Weighted_Contribution": -0.968144, "FDA_Category_X_Top_Rank": -0.0910604, "FDA_Category_D_and_X_L1000_Similarity": -0.885994, "FDA_Category_D_and_X_Structural_Similarity": 0.608465, "FDA_Category_D_and_X_Weighted_Contribution": -0.0321392, "FDA_Category_D_and_X_Top_Rank": -0.0705666, "Placenta_Crossing_L1000_Similarity": -1.66046, "Placenta_Crossing_Structural_Similarity": -0.220416, "Placenta_Crossing_Weighted_Contribution": -0.939698, "Placenta_Crossing_Top_Rank": -0.0862178, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4", "InChI_key": "SJOLTIOPWDLDEB-UHFFFAOYSA-N" } }, "CID:4615": { "type": "Drug", "properties": { "id": "CID:4615", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4615", "label": "oxatomide", "FDA_Category_D_L1000_Similarity": 0.100344, "FDA_Category_D_Structural_Similarity": 0.890206, "FDA_Category_D_Weighted_Contribution": 0.845578, "FDA_Category_D_Top_Rank": -0.0561016, "FDA_Category_X_L1000_Similarity": 1.68927, "FDA_Category_X_Structural_Similarity": -0.515029, "FDA_Category_X_Weighted_Contribution": 0.20446, "FDA_Category_X_Top_Rank": -0.031712, "FDA_Category_D_and_X_L1000_Similarity": 0.599506, "FDA_Category_D_and_X_Structural_Similarity": 0.428661, "FDA_Category_D_and_X_Weighted_Contribution": 0.609792, "FDA_Category_D_and_X_Top_Rank": -0.0760608, "Placenta_Crossing_L1000_Similarity": 0.920447, "Placenta_Crossing_Structural_Similarity": -0.652052, "Placenta_Crossing_Weighted_Contribution": -0.296592, "Placenta_Crossing_Top_Rank": -0.0730941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5", "InChI_key": "BAINIUMDFURPJM-UHFFFAOYSA-N" } }, "CID:464205": { "type": "Drug", "properties": { "id": "CID:464205", "label": "tenofovir", "ref": "LSM-5340", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/464205", "FDA_Category_D_L1000_Similarity": 0.361548, "FDA_Category_D_Structural_Similarity": 3.34301, "FDA_Category_D_Weighted_Contribution": 3.3186, "FDA_Category_D_Top_Rank": 0.304128, "FDA_Category_X_L1000_Similarity": 0.166397, "FDA_Category_X_Structural_Similarity": 0.272806, "FDA_Category_X_Weighted_Contribution": 0.231013, "FDA_Category_X_Top_Rank": -0.070811, "FDA_Category_D_and_X_L1000_Similarity": 0.362201, "FDA_Category_D_and_X_Structural_Similarity": 2.8006, "FDA_Category_D_and_X_Weighted_Contribution": 2.83263, "FDA_Category_D_and_X_Top_Rank": 0.155598, "Placenta_Crossing_L1000_Similarity": 0.570939, "Placenta_Crossing_Structural_Similarity": -0.249274, "Placenta_Crossing_Weighted_Contribution": -0.0980526, "Placenta_Crossing_Top_Rank": -0.0816652, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O", "InChI_key": "SGOIRFVFHAKUTI-ZCFIWIBFSA-N" } }, "CID:46926973": { "type": "Drug", "properties": { "id": "CID:46926973", "label": "wnt-974", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46926973", "FDA_Category_D_L1000_Similarity": 1.19482, "FDA_Category_D_Structural_Similarity": 0.446556, "FDA_Category_D_Weighted_Contribution": 1.06002, "FDA_Category_D_Top_Rank": -0.0495147, "FDA_Category_X_L1000_Similarity": -0.873846, "FDA_Category_X_Structural_Similarity": -0.132435, "FDA_Category_X_Weighted_Contribution": -0.617894, "FDA_Category_X_Top_Rank": -0.0830282, "FDA_Category_D_and_X_L1000_Similarity": 0.764579, "FDA_Category_D_and_X_Structural_Similarity": 0.282976, "FDA_Category_D_and_X_Weighted_Contribution": 0.554864, "FDA_Category_D_and_X_Top_Rank": -0.0790488, "Placenta_Crossing_L1000_Similarity": 0.354291, "Placenta_Crossing_Structural_Similarity": 0.042567, "Placenta_Crossing_Weighted_Contribution": 0.0711299, "Placenta_Crossing_Top_Rank": -0.0813412, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4", "InChI_key": "XXYGTCZJJLTAGH-UHFFFAOYSA-N" } }, "CID:47641": { "type": "Drug", "properties": { "id": "CID:47641", "label": "naftifine", "lsm": "LSM-3661", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/47641", "IDG_ID": "1872", "FDA_Category_D_L1000_Similarity": 0.676892, "FDA_Category_D_Structural_Similarity": -0.351492, "FDA_Category_D_Weighted_Contribution": -0.0721161, "FDA_Category_D_Top_Rank": -0.0804255, "FDA_Category_X_L1000_Similarity": 0.0810183, "FDA_Category_X_Structural_Similarity": -0.373838, "FDA_Category_X_Weighted_Contribution": -0.423275, "FDA_Category_X_Top_Rank": -0.0869845, "FDA_Category_D_and_X_L1000_Similarity": 0.608096, "FDA_Category_D_and_X_Structural_Similarity": -0.480705, "FDA_Category_D_and_X_Weighted_Contribution": -0.255498, "FDA_Category_D_and_X_Top_Rank": -0.0832709, "Placenta_Crossing_L1000_Similarity": 1.31636, "Placenta_Crossing_Structural_Similarity": -0.155691, "Placenta_Crossing_Weighted_Contribution": 0.355253, "Placenta_Crossing_Top_Rank": -0.0543749, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32", "InChI_key": "OZGNYLLQHRPOBR-DHZHZOJOSA-N" } }, "CID:481747": { "type": "Drug", "properties": { "id": "CID:481747", "label": "ryuvidine", "lsm": "LSM-2121", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/481747", "FDA_Category_D_L1000_Similarity": -0.352971, "FDA_Category_D_Structural_Similarity": -0.102685, "FDA_Category_D_Weighted_Contribution": -0.384077, "FDA_Category_D_Top_Rank": -0.0876033, "FDA_Category_X_L1000_Similarity": -2.74916, "FDA_Category_X_Structural_Similarity": 0.318395, "FDA_Category_X_Weighted_Contribution": -0.968013, "FDA_Category_X_Top_Rank": -0.0689971, "FDA_Category_D_and_X_L1000_Similarity": -1.13913, "FDA_Category_D_and_X_Structural_Similarity": 0.0903023, "FDA_Category_D_and_X_Weighted_Contribution": -0.583371, "FDA_Category_D_and_X_Top_Rank": -0.0843034, "Placenta_Crossing_L1000_Similarity": -1.89109, "Placenta_Crossing_Structural_Similarity": 0.199935, "Placenta_Crossing_Weighted_Contribution": -0.741333, "Placenta_Crossing_Top_Rank": -0.0777219, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C", "InChI_key": "HFPLHASLIOXVGS-UHFFFAOYSA-N" } }, "CID:49843099": { "type": "Drug", "properties": { "id": "CID:49843099", "label": "SA-441350", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843099", "FDA_Category_D_L1000_Similarity": 0.606241, "FDA_Category_D_Structural_Similarity": -0.460532, "FDA_Category_D_Weighted_Contribution": -0.208516, "FDA_Category_D_Top_Rank": -0.0824533, "FDA_Category_X_L1000_Similarity": -0.714704, "FDA_Category_X_Structural_Similarity": -0.306092, "FDA_Category_X_Weighted_Contribution": -0.690785, "FDA_Category_X_Top_Rank": -0.0866264, "FDA_Category_D_and_X_L1000_Similarity": 0.305543, "FDA_Category_D_and_X_Structural_Similarity": -0.530696, "FDA_Category_D_and_X_Weighted_Contribution": -0.437308, "FDA_Category_D_and_X_Top_Rank": -0.0888517, "Placenta_Crossing_L1000_Similarity": -0.121839, "Placenta_Crossing_Structural_Similarity": -0.4292, "Placenta_Crossing_Weighted_Contribution": -0.544699, "Placenta_Crossing_Top_Rank": -0.0890047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:49849909": { "type": "Drug", "properties": { "id": "CID:49849909", "label": "dm-161", "lsm": "LSM-4139", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49849909", "FDA_Category_D_L1000_Similarity": 0.668475, "FDA_Category_D_Structural_Similarity": 0.083911, "FDA_Category_D_Weighted_Contribution": 0.346989, "FDA_Category_D_Top_Rank": -0.0806478, "FDA_Category_X_L1000_Similarity": 2.60489, "FDA_Category_X_Structural_Similarity": -0.410573, "FDA_Category_X_Weighted_Contribution": 0.81125, "FDA_Category_X_Top_Rank": 0.224609, "FDA_Category_D_and_X_L1000_Similarity": 1.36729, "FDA_Category_D_and_X_Structural_Similarity": -0.154942, "FDA_Category_D_and_X_Weighted_Contribution": 0.452512, "FDA_Category_D_and_X_Top_Rank": -0.0408347, "Placenta_Crossing_L1000_Similarity": 1.69949, "Placenta_Crossing_Structural_Similarity": 0.0955107, "Placenta_Crossing_Weighted_Contribution": 0.818888, "Placenta_Crossing_Top_Rank": -0.0152774, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)COCC4=CC=C(C=C4)OC)C)CN(C)S(=O)(=O)C5=CC=C(C=C5)F", "InChI_key": "NJCFHVZVQQXDMT-FBYVDAEASA-N" } }, "CID:49855250": { "type": "Drug", "properties": { "id": "CID:49855250", "label": "pracinostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49855250", "FDA_Category_D_L1000_Similarity": -1.28416, "FDA_Category_D_Structural_Similarity": 4.74064, "FDA_Category_D_Weighted_Contribution": 3.57665, "FDA_Category_D_Top_Rank": 0.980333, "FDA_Category_X_L1000_Similarity": -1.26627, "FDA_Category_X_Structural_Similarity": -0.639226, "FDA_Category_X_Weighted_Contribution": -1.10117, "FDA_Category_X_Top_Rank": -0.091461, "FDA_Category_D_and_X_L1000_Similarity": -1.49151, "FDA_Category_D_and_X_Structural_Similarity": 3.41779, "FDA_Category_D_and_X_Weighted_Contribution": 2.47473, "FDA_Category_D_and_X_Top_Rank": 0.345538, "Placenta_Crossing_L1000_Similarity": -1.60217, "Placenta_Crossing_Structural_Similarity": 0.492926, "Placenta_Crossing_Weighted_Contribution": -0.408991, "Placenta_Crossing_Top_Rank": -0.0697218, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO", "InChI_key": "JHDKZFFAIZKUCU-ZRDIBKRKSA-N" } }, "CID:5013": { "type": "Drug", "properties": { "id": "CID:5013", "label": "quipazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5013", "FDA_Category_D_L1000_Similarity": 0.0728681, "FDA_Category_D_Structural_Similarity": 0.505936, "FDA_Category_D_Weighted_Contribution": 0.421974, "FDA_Category_D_Top_Rank": -0.070762, "FDA_Category_X_L1000_Similarity": -0.517492, "FDA_Category_X_Structural_Similarity": -0.484486, "FDA_Category_X_Weighted_Contribution": -0.750559, "FDA_Category_X_Top_Rank": -0.0895802, "FDA_Category_D_and_X_L1000_Similarity": -0.0943381, "FDA_Category_D_and_X_Structural_Similarity": 0.140142, "FDA_Category_D_and_X_Weighted_Contribution": -0.0545989, "FDA_Category_D_and_X_Top_Rank": -0.0830645, "Placenta_Crossing_L1000_Similarity": 0.672682, "Placenta_Crossing_Structural_Similarity": -0.905743, "Placenta_Crossing_Weighted_Contribution": -0.600503, "Placenta_Crossing_Top_Rank": -0.0795182, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2", "InChI_key": "HOMWNUXPSJQSSU-UHFFFAOYSA-N" } }, "CID:51003685": { "type": "Drug", "properties": { "id": "CID:51003685", "label": "cvf-sumo-14", "lsm": "LSM-4841", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51003685", "FDA_Category_D_L1000_Similarity": -1.5002, "FDA_Category_D_Structural_Similarity": -0.826248, "FDA_Category_D_Weighted_Contribution": -1.28146, "FDA_Category_D_Top_Rank": -0.0966165, "FDA_Category_X_L1000_Similarity": -1.60466, "FDA_Category_X_Structural_Similarity": -0.548234, "FDA_Category_X_Weighted_Contribution": -1.1464, "FDA_Category_X_Top_Rank": -0.0904606, "FDA_Category_D_and_X_L1000_Similarity": -1.78051, "FDA_Category_D_and_X_Structural_Similarity": -0.951629, "FDA_Category_D_and_X_Weighted_Contribution": -1.37311, "FDA_Category_D_and_X_Top_Rank": -0.0965683, "Placenta_Crossing_L1000_Similarity": -2.23758, "Placenta_Crossing_Structural_Similarity": -0.883056, "Placenta_Crossing_Weighted_Contribution": -1.41094, "Placenta_Crossing_Top_Rank": -0.0920993, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F", "InChI_key": "ZSTFBDBEPIYXAW-UHFFFAOYSA-N" } }, "CID:5145950": { "type": "Drug", "properties": { "id": "CID:5145950", "label": "rs-39604", "lsm": "LSM-2461", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5145950", "FDA_Category_D_L1000_Similarity": -3.06588, "FDA_Category_D_Structural_Similarity": -0.250859, "FDA_Category_D_Weighted_Contribution": -1.42607, "FDA_Category_D_Top_Rank": -0.0904943, "FDA_Category_X_L1000_Similarity": 1.27987, "FDA_Category_X_Structural_Similarity": -0.461065, "FDA_Category_X_Weighted_Contribution": 0.051996, "FDA_Category_X_Top_Rank": -0.0603802, "FDA_Category_D_and_X_L1000_Similarity": -2.25416, "FDA_Category_D_and_X_Structural_Similarity": -0.447899, "FDA_Category_D_and_X_Weighted_Contribution": -1.27287, "FDA_Category_D_and_X_Top_Rank": -0.0934797, "Placenta_Crossing_L1000_Similarity": -2.16136, "Placenta_Crossing_Structural_Similarity": 0.529489, "Placenta_Crossing_Weighted_Contribution": -0.602373, "Placenta_Crossing_Top_Rank": -0.0687533, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N)OC", "InChI_key": "BKVIWGRFRKLFIO-UHFFFAOYSA-N" } }, "CID:515328": { "type": "Drug", "properties": { "id": "CID:515328", "label": "5-fluoro-2'-deoxycytidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/515328", "FDA_Category_D_L1000_Similarity": 1.2588, "FDA_Category_D_Structural_Similarity": 5.02163, "FDA_Category_D_Weighted_Contribution": 4.19777, "FDA_Category_D_Top_Rank": 1.2323, "FDA_Category_X_L1000_Similarity": -3.06267, "FDA_Category_X_Structural_Similarity": -0.514658, "FDA_Category_X_Weighted_Contribution": -1.48023, "FDA_Category_X_Top_Rank": -0.0900361, "FDA_Category_D_and_X_L1000_Similarity": 0.155034, "FDA_Category_D_and_X_Structural_Similarity": 3.70803, "FDA_Category_D_and_X_Weighted_Contribution": 3.37516, "FDA_Category_D_and_X_Top_Rank": 0.527928, "Placenta_Crossing_L1000_Similarity": -1.93539, "Placenta_Crossing_Structural_Similarity": 1.56753, "Placenta_Crossing_Weighted_Contribution": 0.429887, "Placenta_Crossing_Top_Rank": -0.0154045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O", "InChI_key": "IDYKCXHJJGMAEV-RRKCRQDMSA-N" } }, "CID:5281718": { "type": "Drug", "properties": { "id": "CID:5281718", "label": "polydatin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281718", "FDA_Category_D_L1000_Similarity": 1.44862, "FDA_Category_D_Structural_Similarity": 0.688887, "FDA_Category_D_Weighted_Contribution": 1.48742, "FDA_Category_D_Top_Rank": -0.0183109, "FDA_Category_X_L1000_Similarity": -1.28235, "FDA_Category_X_Structural_Similarity": 1.29056, "FDA_Category_X_Weighted_Contribution": 0.541746, "FDA_Category_X_Top_Rank": -0.0210933, "FDA_Category_D_and_X_L1000_Similarity": 0.859309, "FDA_Category_D_and_X_Structural_Similarity": 1.24316, "FDA_Category_D_and_X_Weighted_Contribution": 1.62937, "FDA_Category_D_and_X_Top_Rank": -0.0361998, "Placenta_Crossing_L1000_Similarity": 0.842325, "Placenta_Crossing_Structural_Similarity": 0.666727, "Placenta_Crossing_Weighted_Contribution": 0.964982, "Placenta_Crossing_Top_Rank": -0.064185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O", "InChI_key": "HSTZMXCBWJGKHG-CUYWLFDKSA-N" } }, "CID:52912189": { "type": "Drug", "properties": { "id": "CID:52912189", "label": "I-BET-151", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/52912189", "FDA_Category_D_L1000_Similarity": -1.21604, "FDA_Category_D_Structural_Similarity": -0.661214, "FDA_Category_D_Weighted_Contribution": -1.11514, "FDA_Category_D_Top_Rank": -0.0955469, "FDA_Category_X_L1000_Similarity": -1.01907, "FDA_Category_X_Structural_Similarity": -0.160492, "FDA_Category_X_Weighted_Contribution": -0.695887, "FDA_Category_X_Top_Rank": -0.0836361, "FDA_Category_D_and_X_L1000_Similarity": -1.35772, "FDA_Category_D_and_X_Structural_Similarity": -0.611416, "FDA_Category_D_and_X_Weighted_Contribution": -1.10781, "FDA_Category_D_and_X_Top_Rank": -0.0948661, "Placenta_Crossing_L1000_Similarity": -0.88074, "Placenta_Crossing_Structural_Similarity": -1.01201, "Placenta_Crossing_Weighted_Contribution": -1.16185, "Placenta_Crossing_Top_Rank": -0.0916428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:52914932": { "type": "Drug", "properties": { "id": "CID:52914932", "label": "sar-245408", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/52914932", "FDA_Category_D_L1000_Similarity": 0.913127, "FDA_Category_X_L1000_Similarity": 0.508364, "FDA_Category_D_and_X_L1000_Similarity": 0.941514, "Placenta_Crossing_L1000_Similarity": 0.919238, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=NSN=C54", "InChI_key": "NCUAOBDESQDAII-UHFFFAOYSA-N" } }, "CID:5330": { "type": "Drug", "properties": { "id": "CID:5330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5330", "label": "sulfamethoxypyridazine", "ref": "LSM-5204", "FDA_Category_D_L1000_Similarity": 0.521121, "FDA_Category_D_Structural_Similarity": -0.0130081, "FDA_Category_D_Weighted_Contribution": 0.163807, "FDA_Category_D_Top_Rank": -0.0847912, "FDA_Category_X_L1000_Similarity": -0.441713, "FDA_Category_X_Structural_Similarity": -0.0726109, "FDA_Category_X_Weighted_Contribution": -0.389065, "FDA_Category_X_Top_Rank": -0.0815444, "FDA_Category_D_and_X_L1000_Similarity": 0.315073, "FDA_Category_D_and_X_Structural_Similarity": -0.0495053, "FDA_Category_D_and_X_Weighted_Contribution": -0.0180626, "FDA_Category_D_and_X_Top_Rank": -0.0872904, "Placenta_Crossing_L1000_Similarity": 0.384608, "Placenta_Crossing_Structural_Similarity": 1.2821, "Placenta_Crossing_Weighted_Contribution": 1.37875, "Placenta_Crossing_Top_Rank": -0.0339411, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "InChI_key": "VLYWMPOKSSWJAL-UHFFFAOYSA-N" } }, "CID:5330286": { "type": "Drug", "properties": { "id": "CID:5330286", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5330286", "label": "palbociclib", "FDA_Category_D_L1000_Similarity": -1.73856, "FDA_Category_D_Structural_Similarity": 0.128199, "FDA_Category_D_Weighted_Contribution": -0.821642, "FDA_Category_D_Top_Rank": -0.0817845, "FDA_Category_X_L1000_Similarity": -1.97044, "FDA_Category_X_Structural_Similarity": -0.0823949, "FDA_Category_X_Weighted_Contribution": -0.975195, "FDA_Category_X_Top_Rank": -0.0817942, "FDA_Category_D_and_X_L1000_Similarity": -2.09704, "FDA_Category_D_and_X_Structural_Similarity": 0.057293, "FDA_Category_D_and_X_Weighted_Contribution": -0.965319, "FDA_Category_D_and_X_Top_Rank": -0.0851501, "Placenta_Crossing_L1000_Similarity": -3.00535, "Placenta_Crossing_Structural_Similarity": 0.850865, "Placenta_Crossing_Weighted_Contribution": -0.680748, "Placenta_Crossing_Top_Rank": -0.0572739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C", "InChI_key": "AHJRHEGDXFFMBM-UHFFFAOYSA-N" } }, "CID:5330790": { "type": "Drug", "properties": { "id": "CID:5330790", "label": "jnj-7706621", "lsm": "LSM-5294", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5330790", "FDA_Category_D_L1000_Similarity": 0.233563, "FDA_Category_D_Structural_Similarity": -0.596567, "FDA_Category_D_Weighted_Contribution": -0.506447, "FDA_Category_D_Top_Rank": -0.0897524, "FDA_Category_X_L1000_Similarity": -1.11456, "FDA_Category_X_Structural_Similarity": -0.695515, "FDA_Category_X_Weighted_Contribution": -1.08958, "FDA_Category_X_Top_Rank": -0.0914399, "FDA_Category_D_and_X_L1000_Similarity": -0.137135, "FDA_Category_D_and_X_Structural_Similarity": -0.8488, "FDA_Category_D_and_X_Weighted_Contribution": -0.846131, "FDA_Category_D_and_X_Top_Rank": -0.0932347, "Placenta_Crossing_L1000_Similarity": 0.0796586, "Placenta_Crossing_Structural_Similarity": -0.740028, "Placenta_Crossing_Weighted_Contribution": -0.699241, "Placenta_Crossing_Top_Rank": -0.0877151, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F", "InChI_key": "KDKUVYLMPJIGKA-UHFFFAOYSA-N" } }, "CID:5353431": { "type": "Drug", "properties": { "id": "CID:5353431", "label": "bay-11-7821", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353431", "FDA_Category_D_L1000_Similarity": -1.00057, "FDA_Category_D_Structural_Similarity": -0.759388, "FDA_Category_D_Weighted_Contribution": -1.09983, "FDA_Category_D_Top_Rank": -0.0962668, "FDA_Category_X_L1000_Similarity": -0.0214883, "FDA_Category_X_Structural_Similarity": -0.754259, "FDA_Category_X_Weighted_Contribution": -0.766416, "FDA_Category_X_Top_Rank": -0.0877286, "FDA_Category_D_and_X_L1000_Similarity": -0.869028, "FDA_Category_D_and_X_Structural_Similarity": -1.00973, "FDA_Category_D_and_X_Weighted_Contribution": -1.17156, "FDA_Category_D_and_X_Top_Rank": -0.0960254, "Placenta_Crossing_L1000_Similarity": -0.83448, "Placenta_Crossing_Structural_Similarity": -0.800556, "Placenta_Crossing_Weighted_Contribution": -1.03497, "Placenta_Crossing_Top_Rank": -0.0915635, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)C=CC#N", "InChI_key": "DOEWDSDBFRHVAP-KRXBUXKQSA-N" } }, "CID:5369716": { "type": "Drug", "properties": { "id": "CID:5369716", "label": "verrucarin-a", "lsm": "LSM-5016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5369716", "FDA_Category_D_L1000_Similarity": -0.355364, "FDA_Category_D_Structural_Similarity": -0.103819, "FDA_Category_D_Weighted_Contribution": -0.386191, "FDA_Category_D_Top_Rank": -0.0876368, "FDA_Category_X_L1000_Similarity": -2.04257, "FDA_Category_X_Structural_Similarity": 0.799991, "FDA_Category_X_Weighted_Contribution": -0.326237, "FDA_Category_X_Top_Rank": -0.0499613, "FDA_Category_D_and_X_L1000_Similarity": -0.926618, "FDA_Category_D_and_X_Structural_Similarity": 0.349269, "FDA_Category_D_and_X_Weighted_Contribution": -0.281361, "FDA_Category_D_and_X_Top_Rank": -0.0783364, "Placenta_Crossing_L1000_Similarity": -0.885483, "Placenta_Crossing_Structural_Similarity": -0.036094, "Placenta_Crossing_Weighted_Contribution": -0.540305, "Placenta_Crossing_Top_Rank": -0.0829911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4", "InChI_key": "NLUGUZJQJYVUHS-GUBXDBFYSA-N" } }, "CID:5429": { "type": "Drug", "properties": { "id": "CID:5429", "label": "theobromine", "lsm": "LSM-5483", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5429", "FDA_Category_D_L1000_Similarity": 0.2838, "FDA_Category_D_Structural_Similarity": 1.28661, "FDA_Category_D_Weighted_Contribution": 1.39543, "FDA_Category_D_Top_Rank": -0.035415, "FDA_Category_X_L1000_Similarity": 0.366109, "FDA_Category_X_Structural_Similarity": -0.714821, "FDA_Category_X_Weighted_Contribution": -0.587627, "FDA_Category_X_Top_Rank": -0.0841929, "FDA_Category_D_and_X_L1000_Similarity": 0.355816, "FDA_Category_D_and_X_Structural_Similarity": 0.635486, "FDA_Category_D_and_X_Weighted_Contribution": 0.682893, "FDA_Category_D_and_X_Top_Rank": -0.0694847, "Placenta_Crossing_L1000_Similarity": 1.04741, "Placenta_Crossing_Structural_Similarity": 0.294391, "Placenta_Crossing_Weighted_Contribution": 0.679026, "Placenta_Crossing_Top_Rank": -0.0687047, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC2=C1C(=O)NC(=O)N2C", "InChI_key": "YAPQBXQYLJRXSA-UHFFFAOYSA-N" } }, "CID:54613931": { "type": "Drug", "properties": { "id": "CID:54613931", "label": "SA-441412", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54613931", "FDA_Category_D_L1000_Similarity": 1.34535, "FDA_Category_X_L1000_Similarity": 0.304086, "FDA_Category_D_and_X_L1000_Similarity": 1.25205, "Placenta_Crossing_L1000_Similarity": 1.49221, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54614984": { "type": "Drug", "properties": { "id": "CID:54614984", "label": "SA-434027", "lsm": "LSM-14691", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54614984", "FDA_Category_D_L1000_Similarity": 0.0534445, "FDA_Category_X_L1000_Similarity": 1.41266, "FDA_Category_D_and_X_L1000_Similarity": 0.475073, "Placenta_Crossing_L1000_Similarity": 1.51536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657708": { "type": "Drug", "properties": { "id": "CID:54657708", "label": "SA-1457336", "lsm": "LSM-12421", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657708", "FDA_Category_D_L1000_Similarity": 0.993704, "FDA_Category_X_L1000_Similarity": 0.345885, "FDA_Category_D_and_X_L1000_Similarity": 0.961624, "Placenta_Crossing_L1000_Similarity": 0.77802, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657731": { "type": "Drug", "properties": { "id": "CID:54657731", "label": "SA-1458689", "lsm": "LSM-13662", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657731", "FDA_Category_D_L1000_Similarity": 0.390194, "FDA_Category_X_L1000_Similarity": -0.00430554, "FDA_Category_D_and_X_L1000_Similarity": 0.335042, "Placenta_Crossing_L1000_Similarity": 0.52402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657734": { "type": "Drug", "properties": { "id": "CID:54657734", "label": "SA-1459173", "lsm": "LSM-13979", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657734", "FDA_Category_D_L1000_Similarity": 1.11698, "FDA_Category_D_Structural_Similarity": -0.540187, "FDA_Category_D_Weighted_Contribution": -0.00767965, "FDA_Category_D_Top_Rank": -0.0567099, "FDA_Category_X_L1000_Similarity": -0.452142, "FDA_Category_X_Structural_Similarity": -0.220985, "FDA_Category_X_Weighted_Contribution": -0.519087, "FDA_Category_X_Top_Rank": -0.0849468, "FDA_Category_D_and_X_L1000_Similarity": 0.825551, "FDA_Category_D_and_X_Structural_Similarity": -0.547997, "FDA_Category_D_and_X_Weighted_Contribution": -0.208351, "FDA_Category_D_and_X_Top_Rank": -0.0767646, "Placenta_Crossing_L1000_Similarity": 0.376245, "Placenta_Crossing_Structural_Similarity": -0.350668, "Placenta_Crossing_Weighted_Contribution": -0.274952, "Placenta_Crossing_Top_Rank": -0.084762, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658402": { "type": "Drug", "properties": { "id": "CID:54658402", "label": "SA-1458026", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658402", "FDA_Category_D_L1000_Similarity": 0.421335, "FDA_Category_D_Structural_Similarity": -0.26231, "FDA_Category_D_Weighted_Contribution": -0.127629, "FDA_Category_D_Top_Rank": -0.0867948, "FDA_Category_X_L1000_Similarity": -0.217661, "FDA_Category_X_Structural_Similarity": -0.0700571, "FDA_Category_X_Weighted_Contribution": -0.287645, "FDA_Category_X_Top_Rank": -0.0814393, "FDA_Category_D_and_X_L1000_Similarity": 0.297096, "FDA_Category_D_and_X_Structural_Similarity": -0.246002, "FDA_Category_D_and_X_Weighted_Contribution": -0.203333, "FDA_Category_D_and_X_Top_Rank": -0.0889734, "Placenta_Crossing_L1000_Similarity": -0.230321, "Placenta_Crossing_Structural_Similarity": 0.346087, "Placenta_Crossing_Weighted_Contribution": 0.0777341, "Placenta_Crossing_Top_Rank": -0.0739461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660070": { "type": "Drug", "properties": { "id": "CID:54660070", "label": "SA-1456734", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660070", "FDA_Category_D_L1000_Similarity": 1.04159, "FDA_Category_D_Structural_Similarity": -0.597135, "FDA_Category_D_Weighted_Contribution": -0.101677, "FDA_Category_D_Top_Rank": -0.062919, "FDA_Category_X_L1000_Similarity": -0.00224506, "FDA_Category_X_Structural_Similarity": -0.441749, "FDA_Category_X_Weighted_Contribution": -0.515484, "FDA_Category_X_Top_Rank": -0.0876094, "FDA_Category_D_and_X_L1000_Similarity": 0.897191, "FDA_Category_D_and_X_Structural_Similarity": -0.71232, "FDA_Category_D_and_X_Weighted_Contribution": -0.31445, "FDA_Category_D_and_X_Top_Rank": -0.0741896, "Placenta_Crossing_L1000_Similarity": 0.888475, "Placenta_Crossing_Structural_Similarity": -0.319491, "Placenta_Crossing_Weighted_Contribution": -0.0145065, "Placenta_Crossing_Top_Rank": -0.0739681, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660194": { "type": "Drug", "properties": { "id": "CID:54660194", "label": "SA-1458902", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660194", "FDA_Category_D_L1000_Similarity": -0.833705, "FDA_Category_X_L1000_Similarity": -0.165159, "FDA_Category_D_and_X_L1000_Similarity": -0.768823, "Placenta_Crossing_L1000_Similarity": -0.850576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54667389": { "type": "Drug", "properties": { "id": "CID:54667389", "label": "SA-1919345", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54667389", "FDA_Category_D_L1000_Similarity": -0.40361, "FDA_Category_X_L1000_Similarity": 0.672113, "FDA_Category_D_and_X_L1000_Similarity": -0.143813, "Placenta_Crossing_L1000_Similarity": -0.0638166, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:56965963": { "type": "Drug", "properties": { "id": "CID:56965963", "label": "kin001-242", "lsm": "LSM-1044", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/56965963", "FDA_Category_D_L1000_Similarity": 1.15034, "FDA_Category_D_Structural_Similarity": 2.22888, "FDA_Category_D_Weighted_Contribution": 2.83332, "FDA_Category_D_Top_Rank": 0.0908672, "FDA_Category_X_L1000_Similarity": 1.30031, "FDA_Category_X_Structural_Similarity": -0.186579, "FDA_Category_X_Weighted_Contribution": 0.343785, "FDA_Category_X_Top_Rank": -0.0591696, "FDA_Category_D_and_X_L1000_Similarity": 1.38649, "FDA_Category_D_and_X_Structural_Similarity": 1.66841, "FDA_Category_D_and_X_Weighted_Contribution": 2.34995, "FDA_Category_D_and_X_Top_Rank": 0.00116444, "Placenta_Crossing_L1000_Similarity": 1.92823, "Placenta_Crossing_Structural_Similarity": 0.127159, "Placenta_Crossing_Weighted_Contribution": 0.977161, "Placenta_Crossing_Top_Rank": 0.0261515, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCNCCOC)C(=O)CF", "InChI_key": "UPTQGXMIZXGVSC-UHFFFAOYSA-N" } }, "CID:57379345": { "type": "Drug", "properties": { "id": "CID:57379345", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57379345", "label": "ceritinib", "FDA_Category_D_L1000_Similarity": -0.628503, "FDA_Category_D_Structural_Similarity": -0.639978, "FDA_Category_D_Weighted_Contribution": -0.899207, "FDA_Category_D_Top_Rank": -0.0953936, "FDA_Category_X_L1000_Similarity": 3.64462, "FDA_Category_X_Structural_Similarity": -0.0574702, "FDA_Category_X_Weighted_Contribution": 1.80129, "FDA_Category_X_Top_Rank": 2.61163, "FDA_Category_D_and_X_L1000_Similarity": 0.56503, "FDA_Category_D_and_X_Structural_Similarity": -0.53897, "FDA_Category_D_and_X_Weighted_Contribution": -0.325204, "FDA_Category_D_and_X_Top_Rank": -0.0842911, "Placenta_Crossing_L1000_Similarity": 0.31473, "Placenta_Crossing_Structural_Similarity": -0.290589, "Placenta_Crossing_Weighted_Contribution": -0.250062, "Placenta_Crossing_Top_Rank": -0.0854765, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl", "InChI_key": "VERWOWGGCGHDQE-UHFFFAOYSA-N" } }, "CID:6000": { "type": "Drug", "properties": { "id": "CID:6000", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6000", "label": "tubocurarine", "FDA_Category_D_L1000_Similarity": 1.17486, "FDA_Category_D_Structural_Similarity": -0.753982, "FDA_Category_D_Weighted_Contribution": -0.173223, "FDA_Category_D_Top_Rank": -0.0511174, "FDA_Category_X_L1000_Similarity": 0.489792, "FDA_Category_X_Structural_Similarity": -0.342024, "FDA_Category_X_Weighted_Contribution": -0.212855, "FDA_Category_X_Top_Rank": -0.0826354, "FDA_Category_D_and_X_L1000_Similarity": 1.1615, "FDA_Category_D_and_X_Structural_Similarity": -0.783001, "FDA_Category_D_and_X_Weighted_Contribution": -0.248703, "FDA_Category_D_and_X_Top_Rank": -0.0580796, "Placenta_Crossing_L1000_Similarity": 1.34198, "Placenta_Crossing_Structural_Similarity": -0.605473, "Placenta_Crossing_Weighted_Contribution": -0.0661466, "Placenta_Crossing_Top_Rank": -0.0529001, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC", "InChI_key": "JFJZZMVDLULRGK-URLMMPGGSA-O" } }, "CID:60184300": { "type": "Drug", "properties": { "id": "CID:60184300", "label": "SA-1938867", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60184300", "FDA_Category_D_L1000_Similarity": 0.840518, "FDA_Category_D_Structural_Similarity": -0.370619, "FDA_Category_D_Weighted_Contribution": -0.000442107, "FDA_Category_D_Top_Rank": -0.0741297, "FDA_Category_X_L1000_Similarity": 0.567818, "FDA_Category_X_Structural_Similarity": -0.315099, "FDA_Category_X_Weighted_Contribution": -0.151408, "FDA_Category_X_Top_Rank": -0.0814895, "FDA_Category_D_and_X_L1000_Similarity": 0.896978, "FDA_Category_D_and_X_Structural_Similarity": -0.464192, "FDA_Category_D_and_X_Weighted_Contribution": -0.0986795, "FDA_Category_D_and_X_Top_Rank": -0.0742041, "Placenta_Crossing_L1000_Similarity": 1.28691, "Placenta_Crossing_Structural_Similarity": -0.712642, "Placenta_Crossing_Weighted_Contribution": -0.187819, "Placenta_Crossing_Top_Rank": -0.0565454, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60185339": { "type": "Drug", "properties": { "id": "CID:60185339", "label": "SA-1925610", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60185339", "FDA_Category_D_L1000_Similarity": -0.572674, "FDA_Category_D_Structural_Similarity": -0.702297, "FDA_Category_D_Weighted_Contribution": -0.918054, "FDA_Category_D_Top_Rank": -0.0953811, "FDA_Category_X_L1000_Similarity": -1.42581, "FDA_Category_X_Structural_Similarity": 1.10078, "FDA_Category_X_Weighted_Contribution": 0.263362, "FDA_Category_X_Top_Rank": -0.0358858, "FDA_Category_D_and_X_L1000_Similarity": -0.926646, "FDA_Category_D_and_X_Structural_Similarity": 0.0365547, "FDA_Category_D_and_X_Weighted_Contribution": -0.533906, "FDA_Category_D_and_X_Top_Rank": -0.0855481, "Placenta_Crossing_L1000_Similarity": -0.582162, "Placenta_Crossing_Structural_Similarity": -1.01427, "Placenta_Crossing_Weighted_Contribution": -1.08289, "Placenta_Crossing_Top_Rank": -0.0910167, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60193939": { "type": "Drug", "properties": { "id": "CID:60193939", "label": "SA-1939915", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60193939", "FDA_Category_D_L1000_Similarity": 0.335863, "FDA_Category_X_L1000_Similarity": -0.83005, "FDA_Category_D_and_X_L1000_Similarity": 0.0374517, "Placenta_Crossing_L1000_Similarity": 0.13509, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60606": { "type": "Drug", "properties": { "id": "CID:60606", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60606", "label": "clopidogrel", "FDA_Category_D_L1000_Similarity": -0.346163, "FDA_Category_D_Structural_Similarity": -0.360918, "FDA_Category_D_Weighted_Contribution": -0.587273, "FDA_Category_D_Top_Rank": -0.0923599, "FDA_Category_X_L1000_Similarity": 0.489828, "FDA_Category_X_Structural_Similarity": -0.629573, "FDA_Category_X_Weighted_Contribution": -0.466758, "FDA_Category_X_Top_Rank": -0.0826311, "FDA_Category_D_and_X_L1000_Similarity": -0.149644, "FDA_Category_D_and_X_Structural_Similarity": -0.626181, "FDA_Category_D_and_X_Weighted_Contribution": -0.700793, "FDA_Category_D_and_X_Top_Rank": -0.0933391, "Placenta_Crossing_L1000_Similarity": 0.806354, "Placenta_Crossing_Structural_Similarity": -0.252982, "Placenta_Crossing_Weighted_Contribution": 0.00867515, "Placenta_Crossing_Top_Rank": -0.0761616, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3", "InChI_key": "GKTWGGQPFAXNFI-HNNXBMFYSA-N" } }, "CID:60785": { "type": "Drug", "properties": { "id": "CID:60785", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60785", "label": "fananserin", "FDA_Category_D_L1000_Similarity": 0.567686, "FDA_Category_D_Structural_Similarity": -0.646754, "FDA_Category_D_Weighted_Contribution": -0.388199, "FDA_Category_D_Top_Rank": -0.0835331, "FDA_Category_X_L1000_Similarity": 0.243833, "FDA_Category_X_Structural_Similarity": 1.45629, "FDA_Category_X_Weighted_Contribution": 1.5897, "FDA_Category_X_Top_Rank": -0.0109759, "FDA_Category_D_and_X_L1000_Similarity": 0.56341, "FDA_Category_D_and_X_Structural_Similarity": 0.272472, "FDA_Category_D_and_X_Weighted_Contribution": 0.428979, "FDA_Category_D_and_X_Top_Rank": -0.0800665, "Placenta_Crossing_L1000_Similarity": 1.71789, "Placenta_Crossing_Structural_Similarity": 0.29252, "Placenta_Crossing_Weighted_Contribution": 1.04036, "Placenta_Crossing_Top_Rank": -0.0129195, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O)C5=CC=C(C=C5)F", "InChI_key": "VGIGHGMPMUCLIQ-UHFFFAOYSA-N" } }, "CID:60825": { "type": "Drug", "properties": { "id": "CID:60825", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60825", "label": "lamivudine", "FDA_Category_D_L1000_Similarity": 0.258013, "FDA_Category_D_Structural_Similarity": 0.30388, "FDA_Category_D_Weighted_Contribution": 0.326283, "FDA_Category_D_Top_Rank": -0.0771009, "FDA_Category_X_L1000_Similarity": 0.765361, "FDA_Category_X_Structural_Similarity": -0.627697, "FDA_Category_X_Weighted_Contribution": -0.346229, "FDA_Category_X_Top_Rank": -0.0778305, "FDA_Category_D_and_X_L1000_Similarity": 0.454844, "FDA_Category_D_and_X_Structural_Similarity": -0.0975092, "FDA_Category_D_and_X_Weighted_Contribution": 0.0100016, "FDA_Category_D_and_X_Top_Rank": -0.0865435, "Placenta_Crossing_L1000_Similarity": 0.418698, "Placenta_Crossing_Structural_Similarity": 2.45556, "Placenta_Crossing_Weighted_Contribution": 2.57542, "Placenta_Crossing_Top_Rank": 0.08277, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1C(OC(S1)CO)N2C=CC(=NC2=O)N", "InChI_key": "JTEGQNOMFQHVDC-NKWVEPMBSA-N" } }, "CID:6093179": { "type": "Drug", "properties": { "id": "CID:6093179", "label": "estropipate", "lsm": "LSM-1389", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6093179", "FDA_Category_D_L1000_Similarity": 0.786336, "FDA_Category_D_Structural_Similarity": 1.45464, "FDA_Category_D_Weighted_Contribution": 1.89245, "FDA_Category_D_Top_Rank": -0.0221391, "FDA_Category_X_L1000_Similarity": 0.741107, "FDA_Category_X_Structural_Similarity": 1.65174, "FDA_Category_X_Weighted_Contribution": 2.08315, "FDA_Category_X_Top_Rank": 0.00239409, "FDA_Category_D_and_X_L1000_Similarity": 0.902896, "FDA_Category_D_and_X_Structural_Similarity": 2.04584, "FDA_Category_D_and_X_Weighted_Contribution": 2.44784, "FDA_Category_D_and_X_Top_Rank": 0.0415875, "Placenta_Crossing_L1000_Similarity": 2.19258, "Placenta_Crossing_Structural_Similarity": 0.266437, "Placenta_Crossing_Weighted_Contribution": 1.27242, "Placenta_Crossing_Top_Rank": 0.104474, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:6307": { "type": "Drug", "properties": { "id": "CID:6307", "label": "quinethazone", "lsm": "LSM-1666", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6307", "FDA_Category_D_L1000_Similarity": 1.18592, "FDA_Category_D_Structural_Similarity": -0.0595612, "FDA_Category_D_Weighted_Contribution": 0.511451, "FDA_Category_D_Top_Rank": -0.0502553, "FDA_Category_X_L1000_Similarity": 1.44836, "FDA_Category_X_Structural_Similarity": -0.347838, "FDA_Category_X_Weighted_Contribution": 0.252599, "FDA_Category_X_Top_Rank": -0.0504245, "FDA_Category_D_and_X_L1000_Similarity": 1.46211, "FDA_Category_D_and_X_Structural_Similarity": -0.234967, "FDA_Category_D_and_X_Weighted_Contribution": 0.425282, "FDA_Category_D_and_X_Top_Rank": -0.0281821, "Placenta_Crossing_L1000_Similarity": 1.55228, "Placenta_Crossing_Structural_Similarity": -0.0986399, "Placenta_Crossing_Weighted_Contribution": 0.53596, "Placenta_Crossing_Top_Rank": -0.0339411, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl", "InChI_key": "AGMMTXLNIQSRCG-UHFFFAOYSA-N" } }, "CID:637563": { "type": "Drug", "properties": { "id": "CID:637563", "label": "anethole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/637563", "FDA_Category_D_L1000_Similarity": 1.47604, "FDA_Category_D_Structural_Similarity": -0.462286, "FDA_Category_D_Weighted_Contribution": 0.272917, "FDA_Category_D_Top_Rank": -0.0145149, "FDA_Category_X_L1000_Similarity": 1.784, "FDA_Category_X_Structural_Similarity": -0.405818, "FDA_Category_X_Weighted_Contribution": 0.36788, "FDA_Category_X_Top_Rank": -0.021527, "FDA_Category_D_and_X_L1000_Similarity": 1.81413, "FDA_Category_D_and_X_Structural_Similarity": -0.5859, "FDA_Category_D_and_X_Weighted_Contribution": 0.271926, "FDA_Category_D_and_X_Top_Rank": 0.0356486, "Placenta_Crossing_L1000_Similarity": 1.38138, "Placenta_Crossing_Structural_Similarity": -0.517847, "Placenta_Crossing_Weighted_Contribution": 0.0338815, "Placenta_Crossing_Top_Rank": -0.050023, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6446335": { "type": "Drug", "properties": { "id": "CID:6446335", "label": "bg-fa-0953", "lsm": "LSM-6677", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6446335", "FDA_Category_D_L1000_Similarity": -0.955553, "FDA_Category_X_L1000_Similarity": -1.78636, "FDA_Category_D_and_X_L1000_Similarity": -1.36618, "Placenta_Crossing_L1000_Similarity": -1.64491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=CC=C1)NC(=N2)C(=CC3=CC=C(O3)[N+](=O)[O-])C#N", "InChI_key": "MQFZWJTXPQRJEY-JXMROGBWSA-N" } }, "CID:65664": { "type": "Drug", "properties": { "id": "CID:65664", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65664", "label": "artesunate", "FDA_Category_D_L1000_Similarity": -0.264001, "FDA_Category_D_Structural_Similarity": -0.352326, "FDA_Category_D_Weighted_Contribution": -0.543502, "FDA_Category_D_Top_Rank": -0.0922415, "FDA_Category_X_L1000_Similarity": -0.709743, "FDA_Category_X_Structural_Similarity": -0.526788, "FDA_Category_X_Weighted_Contribution": -0.850025, "FDA_Category_X_Top_Rank": -0.0901862, "FDA_Category_D_and_X_L1000_Similarity": -0.443109, "FDA_Category_D_and_X_Structural_Similarity": -0.563899, "FDA_Category_D_and_X_Weighted_Contribution": -0.771281, "FDA_Category_D_and_X_Top_Rank": -0.0945139, "Placenta_Crossing_L1000_Similarity": -0.997986, "Placenta_Crossing_Structural_Similarity": 0.853303, "Placenta_Crossing_Weighted_Contribution": 0.191348, "Placenta_Crossing_Top_Rank": -0.0571803, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C", "InChI_key": "FIHJKUPKCHIPAT-NKHDUEHSSA-N" } }, "CID:65856": { "type": "Drug", "properties": { "id": "CID:65856", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65856", "label": "esreboxetine", "FDA_Category_D_L1000_Similarity": 2.33203, "FDA_Category_D_Structural_Similarity": 2.36404, "FDA_Category_D_Weighted_Contribution": 3.42868, "FDA_Category_D_Top_Rank": 0.521038, "FDA_Category_X_L1000_Similarity": 2.73415, "FDA_Category_X_Structural_Similarity": -0.304926, "FDA_Category_X_Weighted_Contribution": 1.00319, "FDA_Category_X_Top_Rank": 0.315717, "FDA_Category_D_and_X_L1000_Similarity": 2.84057, "FDA_Category_D_and_X_Structural_Similarity": 1.71183, "FDA_Category_D_and_X_Weighted_Contribution": 3.05875, "FDA_Category_D_and_X_Top_Rank": 1.14518, "Placenta_Crossing_L1000_Similarity": 2.70462, "Placenta_Crossing_Structural_Similarity": -0.953191, "Placenta_Crossing_Weighted_Contribution": 0.262061, "Placenta_Crossing_Top_Rank": 0.459898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3", "InChI_key": "CBQGYUDMJHNJBX-OALUTQOASA-N" } }, "CID:6604749": { "type": "Drug", "properties": { "id": "CID:6604749", "label": "l-689560", "lsm": "LSM-3665", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6604749", "FDA_Category_D_L1000_Similarity": 0.614598, "FDA_Category_D_Structural_Similarity": 0.0924645, "FDA_Category_D_Weighted_Contribution": 0.323643, "FDA_Category_D_Top_Rank": -0.0822275, "FDA_Category_X_L1000_Similarity": 1.4608, "FDA_Category_X_Structural_Similarity": 1.95218, "FDA_Category_X_Weighted_Contribution": 2.75266, "FDA_Category_X_Top_Rank": 0.0361771, "FDA_Category_D_and_X_L1000_Similarity": 0.973406, "FDA_Category_D_and_X_Structural_Similarity": 1.12678, "FDA_Category_D_and_X_Weighted_Contribution": 1.57413, "FDA_Category_D_and_X_Top_Rank": -0.0439707, "Placenta_Crossing_L1000_Similarity": 1.57359, "Placenta_Crossing_Structural_Similarity": -0.127291, "Placenta_Crossing_Weighted_Contribution": 0.517503, "Placenta_Crossing_Top_Rank": -0.0316416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C2=C(C=C(C=C2Cl)Cl)NC1C(=O)O)NC(=O)NC3=CC=CC=C3", "InChI_key": "UCKHICKHGAOGAP-UONOGXRCSA-N" } }, "CID:6605258": { "type": "Drug", "properties": { "id": "CID:6605258", "label": "cgk-733", "lsm": "LSM-1610", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6605258", "FDA_Category_D_L1000_Similarity": -1.00845, "FDA_Category_D_Structural_Similarity": 0.872562, "FDA_Category_D_Weighted_Contribution": 0.153882, "FDA_Category_D_Top_Rank": -0.0575573, "FDA_Category_X_L1000_Similarity": -1.75584, "FDA_Category_X_Structural_Similarity": -0.675821, "FDA_Category_X_Weighted_Contribution": -1.25618, "FDA_Category_X_Top_Rank": -0.0917643, "FDA_Category_D_and_X_L1000_Similarity": -1.40251, "FDA_Category_D_and_X_Structural_Similarity": 0.327894, "FDA_Category_D_and_X_Weighted_Contribution": -0.515002, "FDA_Category_D_and_X_Top_Rank": -0.0787236, "Placenta_Crossing_L1000_Similarity": -1.92217, "Placenta_Crossing_Structural_Similarity": 0.291198, "Placenta_Crossing_Weighted_Contribution": -0.688042, "Placenta_Crossing_Top_Rank": -0.0752156, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]", "InChI_key": "HLCDNLNLQNYZTK-UHFFFAOYSA-N" } }, "CID:679758": { "type": "Drug", "properties": { "id": "CID:679758", "label": "st-209453", "lsm": "LSM-4510", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/679758", "FDA_Category_D_L1000_Similarity": 0.820802, "FDA_Category_X_L1000_Similarity": 0.623751, "FDA_Category_D_and_X_L1000_Similarity": 0.896962, "Placenta_Crossing_L1000_Similarity": 1.13615, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)O", "InChI_key": "WBGUFVKWKXBGGO-UHFFFAOYSA-N" } }, "CID:691928": { "type": "Drug", "properties": { "id": "CID:691928", "label": "st-4029655", "lsm": "LSM-4697", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/691928", "FDA_Category_D_L1000_Similarity": 0.858461, "FDA_Category_X_L1000_Similarity": 1.05095, "FDA_Category_D_and_X_L1000_Similarity": 1.05916, "Placenta_Crossing_L1000_Similarity": 0.982855, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CN=CC=C3", "InChI_key": "GXRWFQXJMISBIT-UHFFFAOYSA-N" } }, "CID:72301": { "type": "Drug", "properties": { "id": "CID:72301", "label": "tetrahydropalmatine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72301", "FDA_Category_D_L1000_Similarity": 1.60635, "FDA_Category_D_Structural_Similarity": -0.556425, "FDA_Category_D_Weighted_Contribution": 0.25505, "FDA_Category_D_Top_Rank": 0.0147814, "FDA_Category_X_L1000_Similarity": -0.116806, "FDA_Category_X_Structural_Similarity": 0.431332, "FDA_Category_X_Weighted_Contribution": 0.248404, "FDA_Category_X_Top_Rank": -0.0646329, "FDA_Category_D_and_X_L1000_Similarity": 1.34923, "FDA_Category_D_and_X_Structural_Similarity": -0.208896, "FDA_Category_D_and_X_Weighted_Contribution": 0.387761, "FDA_Category_D_and_X_Top_Rank": -0.0426663, "Placenta_Crossing_L1000_Similarity": 0.848952, "Placenta_Crossing_Structural_Similarity": -0.287689, "Placenta_Crossing_Weighted_Contribution": -0.00356045, "Placenta_Crossing_Top_Rank": -0.0750166, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC", "InChI_key": "AEQDJSLRWYMAQI-KRWDZBQOSA-N" } }, "CID:72943187": { "type": "Drug", "properties": { "id": "CID:72943187", "label": "bromosporine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72943187", "FDA_Category_D_L1000_Similarity": -1.33969, "FDA_Category_D_Structural_Similarity": 0.655748, "FDA_Category_D_Weighted_Contribution": -0.229073, "FDA_Category_D_Top_Rank": -0.0655753, "FDA_Category_X_L1000_Similarity": -1.16387, "FDA_Category_X_Structural_Similarity": -0.319035, "FDA_Category_X_Weighted_Contribution": -0.863578, "FDA_Category_X_Top_Rank": -0.0868335, "FDA_Category_D_and_X_L1000_Similarity": -1.50828, "FDA_Category_D_and_X_Structural_Similarity": 0.348326, "FDA_Category_D_and_X_Weighted_Contribution": -0.544807, "FDA_Category_D_and_X_Top_Rank": -0.0783788, "Placenta_Crossing_L1000_Similarity": -0.867207, "Placenta_Crossing_Structural_Similarity": -0.128206, "Placenta_Crossing_Weighted_Contribution": -0.603244, "Placenta_Crossing_Top_Rank": -0.0847687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707418": { "type": "Drug", "properties": { "id": "CID:73707418", "label": "celastrol", "lsm": "LSM-5006", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707418", "FDA_Category_D_L1000_Similarity": -1.27306, "FDA_Category_D_Structural_Similarity": -0.610957, "FDA_Category_D_Weighted_Contribution": -1.10594, "FDA_Category_D_Top_Rank": -0.0951505, "FDA_Category_X_L1000_Similarity": -0.831675, "FDA_Category_X_Structural_Similarity": -0.609559, "FDA_Category_X_Weighted_Contribution": -0.947422, "FDA_Category_X_Top_Rank": -0.0909388, "FDA_Category_D_and_X_L1000_Similarity": -1.34997, "FDA_Category_D_and_X_Structural_Similarity": -0.813841, "FDA_Category_D_and_X_Weighted_Contribution": -1.20758, "FDA_Category_D_and_X_Top_Rank": -0.0960168, "Placenta_Crossing_L1000_Similarity": -1.05645, "Placenta_Crossing_Structural_Similarity": -0.854218, "Placenta_Crossing_Weighted_Contribution": -1.12621, "Placenta_Crossing_Top_Rank": -0.0918936, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C2=CC=C3C(C2=CC(=O)C1=O)(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C", "InChI_key": "AQKDBFWJOPNOKZ-HSFLDMIGSA-N" } }, "CID:842059": { "type": "Drug", "properties": { "id": "CID:842059", "label": "BG-1023", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/842059", "FDA_Category_D_L1000_Similarity": -0.180719, "FDA_Category_D_Structural_Similarity": -0.754524, "FDA_Category_D_Weighted_Contribution": -0.801656, "FDA_Category_D_Top_Rank": -0.0935689, "FDA_Category_X_L1000_Similarity": 0.902451, "FDA_Category_X_Structural_Similarity": 0.214508, "FDA_Category_X_Weighted_Contribution": 0.560502, "FDA_Category_X_Top_Rank": -0.0728258, "FDA_Category_D_and_X_L1000_Similarity": 0.118281, "FDA_Category_D_and_X_Structural_Similarity": -0.483128, "FDA_Category_D_and_X_Weighted_Contribution": -0.482729, "FDA_Category_D_and_X_Top_Rank": -0.0911281, "Placenta_Crossing_L1000_Similarity": 0.75297, "Placenta_Crossing_Structural_Similarity": -0.848575, "Placenta_Crossing_Weighted_Contribution": -0.525822, "Placenta_Crossing_Top_Rank": -0.0775956, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:8593": { "type": "Drug", "properties": { "id": "CID:8593", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8593", "label": "cinchophen", "FDA_Category_D_L1000_Similarity": 1.35043, "FDA_Category_D_Structural_Similarity": -0.879474, "FDA_Category_D_Weighted_Contribution": -0.193524, "FDA_Category_D_Top_Rank": -0.0319747, "FDA_Category_X_L1000_Similarity": 0.040671, "FDA_Category_X_Structural_Similarity": -0.593609, "FDA_Category_X_Weighted_Contribution": -0.620689, "FDA_Category_X_Top_Rank": -0.0873145, "FDA_Category_D_and_X_L1000_Similarity": 1.17646, "FDA_Category_D_and_X_Structural_Similarity": -1.01836, "FDA_Category_D_and_X_Weighted_Contribution": -0.436874, "FDA_Category_D_and_X_Top_Rank": -0.0565128, "Placenta_Crossing_L1000_Similarity": 0.696985, "Placenta_Crossing_Structural_Similarity": 1.23904, "Placenta_Crossing_Weighted_Contribution": 1.50288, "Placenta_Crossing_Top_Rank": -0.0371421, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O", "InChI_key": "YTRMTPPVNRALON-UHFFFAOYSA-N" } }, "CID:897475": { "type": "Drug", "properties": { "id": "CID:897475", "label": "arg-csc-81", "lsm": "LSM-6651", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/897475", "FDA_Category_D_L1000_Similarity": 1.20717, "FDA_Category_D_Structural_Similarity": 0.0411176, "FDA_Category_D_Weighted_Contribution": 0.630427, "FDA_Category_D_Top_Rank": -0.0480225, "FDA_Category_X_L1000_Similarity": -0.32358, "FDA_Category_X_Structural_Similarity": -0.405727, "FDA_Category_X_Weighted_Contribution": -0.616264, "FDA_Category_X_Top_Rank": -0.0882962, "FDA_Category_D_and_X_L1000_Similarity": 0.942327, "FDA_Category_D_and_X_Structural_Similarity": -0.186293, "FDA_Category_D_and_X_Weighted_Contribution": 0.184943, "FDA_Category_D_and_X_Top_Rank": -0.0722392, "Placenta_Crossing_L1000_Similarity": 0.743436, "Placenta_Crossing_Structural_Similarity": -0.444706, "Placenta_Crossing_Weighted_Contribution": -0.194682, "Placenta_Crossing_Top_Rank": -0.0778155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C=CC(=O)NC2=NCCS2", "InChI_key": "UHKBQVSZRYZCSE-VOTSOKGWSA-N" } }, "CID:9675990": { "type": "Drug", "properties": { "id": "CID:9675990", "label": "pac-1", "lsm": "LSM-3119", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9675990", "FDA_Category_D_L1000_Similarity": -0.89864, "FDA_Category_D_Structural_Similarity": -0.31808, "FDA_Category_D_Weighted_Contribution": -0.790696, "FDA_Category_D_Top_Rank": -0.0916789, "FDA_Category_X_L1000_Similarity": -2.58371, "FDA_Category_X_Structural_Similarity": -0.717094, "FDA_Category_X_Weighted_Contribution": -1.46524, "FDA_Category_X_Top_Rank": -0.092056, "FDA_Category_D_and_X_L1000_Similarity": -1.55927, "FDA_Category_D_and_X_Structural_Similarity": -0.639405, "FDA_Category_D_and_X_Weighted_Contribution": -1.17979, "FDA_Category_D_and_X_Top_Rank": -0.0950672, "Placenta_Crossing_L1000_Similarity": -2.24357, "Placenta_Crossing_Structural_Similarity": 0.589075, "Placenta_Crossing_Weighted_Contribution": -0.588943, "Placenta_Crossing_Top_Rank": -0.0670448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCC1=C(C(=CC=C1)C=NNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]", "InChI_key": "YQNRVGJCPCNMKT-LFVJCYFKSA-N" } }, "CID:9782": { "type": "Drug", "properties": { "id": "CID:9782", "label": "betamethasone", "lsm": "LSM-1248", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9782", "drugcentral_id": "348", "IDG_ID": "348", "FDA_Category_D_L1000_Similarity": 0.694668, "FDA_Category_X_L1000_Similarity": 0.191168, "FDA_Category_D_and_X_L1000_Similarity": 0.656859, "Placenta_Crossing_L1000_Similarity": 0.670419, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C", "InChI_key": "UREBDLICKHMUKA-DVTGEIKXSA-N" } }, "CID:9850876": { "type": "Drug", "properties": { "id": "CID:9850876", "label": "SR-33805", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9850876", "FDA_Category_D_L1000_Similarity": -1.61048, "FDA_Category_D_Structural_Similarity": -0.559621, "FDA_Category_D_Weighted_Contribution": -1.18328, "FDA_Category_D_Top_Rank": -0.0946919, "FDA_Category_X_L1000_Similarity": -0.600569, "FDA_Category_X_Structural_Similarity": -0.520855, "FDA_Category_X_Weighted_Contribution": -0.807217, "FDA_Category_X_Top_Rank": -0.0900993, "FDA_Category_D_and_X_L1000_Similarity": -1.57064, "FDA_Category_D_and_X_Structural_Similarity": -0.72523, "FDA_Category_D_and_X_Weighted_Contribution": -1.22427, "FDA_Category_D_and_X_Top_Rank": -0.0955657, "Placenta_Crossing_L1000_Similarity": -2.44678, "Placenta_Crossing_Structural_Similarity": -0.38922, "Placenta_Crossing_Weighted_Contribution": -1.24591, "Placenta_Crossing_Top_Rank": -0.088582, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9927768": { "type": "Drug", "properties": { "id": "CID:9927768", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9927768", "label": "tenoxicam", "FDA_Category_D_L1000_Similarity": 1.0548, "FDA_Category_D_Structural_Similarity": 0.592385, "FDA_Category_D_Weighted_Contribution": 1.12981, "FDA_Category_D_Top_Rank": -0.0619677, "FDA_Category_X_L1000_Similarity": 0.730269, "FDA_Category_X_Structural_Similarity": -0.594728, "FDA_Category_X_Weighted_Contribution": -0.332603, "FDA_Category_X_Top_Rank": -0.0784677, "FDA_Category_D_and_X_L1000_Similarity": 1.13104, "FDA_Category_D_and_X_Structural_Similarity": 0.149271, "FDA_Category_D_and_X_Weighted_Contribution": 0.629066, "FDA_Category_D_and_X_Top_Rank": -0.0604794, "Placenta_Crossing_L1000_Similarity": 1.05919, "Placenta_Crossing_Structural_Similarity": 2.34195, "Placenta_Crossing_Weighted_Contribution": 2.75765, "Placenta_Crossing_Top_Rank": 0.0672633, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C(C(=O)C2=C(S1(=O)=O)C=CS2)C(=O)NC3=CC=CC=N3", "InChI_key": "OTGJPAOGHQFBMI-UHFFFAOYSA-N" } }, "CID:9936746": { "type": "Drug", "properties": { "id": "CID:9936746", "label": "birabresib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9936746", "FDA_Category_D_L1000_Similarity": -0.437559, "FDA_Category_D_Structural_Similarity": 0.465731, "FDA_Category_D_Weighted_Contribution": 0.0834179, "FDA_Category_D_Top_Rank": -0.0722088, "FDA_Category_X_L1000_Similarity": -0.695238, "FDA_Category_X_Structural_Similarity": -0.234717, "FDA_Category_X_Weighted_Contribution": -0.628051, "FDA_Category_X_Top_Rank": -0.0852222, "FDA_Category_D_and_X_L1000_Similarity": -0.588313, "FDA_Category_D_and_X_Structural_Similarity": 0.243005, "FDA_Category_D_and_X_Weighted_Contribution": -0.209711, "FDA_Category_D_and_X_Top_Rank": -0.0807273, "Placenta_Crossing_L1000_Similarity": -0.616018, "Placenta_Crossing_Structural_Similarity": 0.362444, "Placenta_Crossing_Weighted_Contribution": -0.08935, "Placenta_Crossing_Top_Rank": -0.0735104, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C", "InChI_key": "GNMUEVRJHCWKTO-FQEVSTJZSA-N" } }, "CID:10113978": { "type": "Drug", "properties": { "id": "CID:10113978", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10113978", "label": "pazopanib", "FDA_Category_D_L1000_Similarity": 1.75405, "FDA_Category_D_Structural_Similarity": -0.0509754, "FDA_Category_D_Weighted_Contribution": 0.875003, "FDA_Category_D_Top_Rank": 0.0577189, "FDA_Category_X_L1000_Similarity": 0.531873, "FDA_Category_X_Structural_Similarity": -0.543566, "FDA_Category_X_Weighted_Contribution": -0.374932, "FDA_Category_X_Top_Rank": -0.0820878, "FDA_Category_D_and_X_L1000_Similarity": 1.67355, "FDA_Category_D_and_X_Structural_Similarity": -0.333766, "FDA_Category_D_and_X_Weighted_Contribution": 0.445259, "FDA_Category_D_and_X_Top_Rank": 0.00388121, "Placenta_Crossing_L1000_Similarity": 1.2227, "Placenta_Crossing_Structural_Similarity": -0.300854, "Placenta_Crossing_Weighted_Contribution": 0.164475, "Placenta_Crossing_Top_Rank": -0.0607495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N", "InChI_key": "CUIHSIWYWATEQL-UHFFFAOYSA-N" } }, "CID:10171544": { "type": "Drug", "properties": { "id": "CID:10171544", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10171544", "label": "zaprinast", "FDA_Category_D_L1000_Similarity": 2.08316, "FDA_Category_D_Structural_Similarity": -0.326677, "FDA_Category_D_Weighted_Contribution": 0.78545, "FDA_Category_D_Top_Rank": 0.262624, "FDA_Category_X_L1000_Similarity": 1.33157, "FDA_Category_X_Structural_Similarity": -0.581522, "FDA_Category_X_Weighted_Contribution": -0.0408415, "FDA_Category_X_Top_Rank": -0.0574591, "FDA_Category_D_and_X_L1000_Similarity": 2.20009, "FDA_Category_D_and_X_Structural_Similarity": -0.573074, "FDA_Category_D_and_X_Weighted_Contribution": 0.502156, "FDA_Category_D_and_X_Top_Rank": 0.21773, "Placenta_Crossing_L1000_Similarity": 1.93848, "Placenta_Crossing_Structural_Similarity": -0.782101, "Placenta_Crossing_Weighted_Contribution": 0.0512204, "Placenta_Crossing_Top_Rank": 0.0281874, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCOC1=CC=CC=C1C2=NC(=O)C3=NN=NC3=N2", "InChI_key": "KFMVHONQQFRNNH-UHFFFAOYSA-N" } }, "CID:10201696": { "type": "Drug", "properties": { "id": "CID:10201696", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10201696", "label": "balicatib", "FDA_Category_D_L1000_Similarity": -0.778362, "FDA_Category_D_Structural_Similarity": -0.821873, "FDA_Category_D_Weighted_Contribution": -1.06201, "FDA_Category_D_Top_Rank": -0.0959203, "FDA_Category_X_L1000_Similarity": 0.136488, "FDA_Category_X_Structural_Similarity": -0.653746, "FDA_Category_X_Weighted_Contribution": -0.630272, "FDA_Category_X_Top_Rank": -0.0865524, "FDA_Category_D_and_X_L1000_Similarity": -0.629514, "FDA_Category_D_and_X_Structural_Similarity": -1.00509, "FDA_Category_D_and_X_Weighted_Contribution": -1.10011, "FDA_Category_D_and_X_Top_Rank": -0.0954741, "Placenta_Crossing_L1000_Similarity": 0.644165, "Placenta_Crossing_Structural_Similarity": -1.03438, "Placenta_Crossing_Weighted_Contribution": -0.704912, "Placenta_Crossing_Top_Rank": -0.0800822, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N", "InChI_key": "LLCRBOWRJOUJAE-UHFFFAOYSA-N" } }, "CID:10253795": { "type": "Drug", "properties": { "id": "CID:10253795", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10253795", "label": "Cefprozil", "FDA_Category_D_L1000_Similarity": 1.41023, "FDA_Category_D_Structural_Similarity": 0.279988, "FDA_Category_D_Weighted_Contribution": 1.0159, "FDA_Category_D_Top_Rank": -0.0232656, "FDA_Category_X_L1000_Similarity": -1.41594, "FDA_Category_X_Structural_Similarity": 0.256386, "FDA_Category_X_Weighted_Contribution": -0.523138, "FDA_Category_X_Top_Rank": -0.0713705, "FDA_Category_D_and_X_L1000_Similarity": 0.78563, "FDA_Category_D_and_X_Structural_Similarity": 0.360575, "FDA_Category_D_and_X_Weighted_Contribution": 0.647457, "FDA_Category_D_and_X_Top_Rank": -0.0780677, "Placenta_Crossing_L1000_Similarity": 0.136568, "Placenta_Crossing_Structural_Similarity": 4.48621, "Placenta_Crossing_Weighted_Contribution": 3.78125, "Placenta_Crossing_Top_Rank": 0.653726, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:10295295": { "type": "Drug", "properties": { "id": "CID:10295295", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10295295", "label": "palovarotene", "FDA_Category_D_L1000_Similarity": 0.208696, "FDA_Category_D_Structural_Similarity": 0.784484, "FDA_Category_D_Weighted_Contribution": 0.799979, "FDA_Category_D_Top_Rank": -0.0610938, "FDA_Category_X_L1000_Similarity": -0.668357, "FDA_Category_X_Structural_Similarity": 1.24404, "FDA_Category_X_Weighted_Contribution": 0.82991, "FDA_Category_X_Top_Rank": -0.0251227, "FDA_Category_D_and_X_L1000_Similarity": -0.0230698, "FDA_Category_D_and_X_Structural_Similarity": 1.29393, "FDA_Category_D_and_X_Weighted_Contribution": 1.15658, "FDA_Category_D_and_X_Top_Rank": -0.0322436, "Placenta_Crossing_L1000_Similarity": -1.17973, "Placenta_Crossing_Structural_Similarity": -0.650304, "Placenta_Crossing_Weighted_Contribution": -1.04908, "Placenta_Crossing_Top_Rank": -0.0909146, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC(C2=C1C=C(C(=C2)C=CC3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)C", "InChI_key": "YTFHCXIPDIHOIA-DHZHZOJOSA-N" } }, "CID:104850": { "type": "Drug", "properties": { "id": "CID:104850", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID104850", "label": "rimonabant", "FDA_Category_D_L1000_Similarity": 0.301182, "FDA_Category_D_Structural_Similarity": -0.178726, "FDA_Category_D_Weighted_Contribution": -0.115565, "FDA_Category_D_Top_Rank": -0.0888329, "FDA_Category_X_L1000_Similarity": -0.371371, "FDA_Category_X_Structural_Similarity": -0.49067, "FDA_Category_X_Weighted_Contribution": -0.700488, "FDA_Category_X_Top_Rank": -0.0895633, "FDA_Category_D_and_X_L1000_Similarity": 0.146855, "FDA_Category_D_and_X_Structural_Similarity": -0.406621, "FDA_Category_D_and_X_Weighted_Contribution": -0.409084, "FDA_Category_D_and_X_Top_Rank": -0.0908394, "Placenta_Crossing_L1000_Similarity": -0.0303233, "Placenta_Crossing_Structural_Similarity": -0.886349, "Placenta_Crossing_Weighted_Contribution": -0.837516, "Placenta_Crossing_Top_Rank": -0.0885591, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl", "InChI_key": "JZCPYUJPEARBJL-UHFFFAOYSA-N" } }, "CID:10742": { "type": "Drug", "properties": { "id": "CID:10742", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10742", "label": "Syringic-acid", "FDA_Category_D_L1000_Similarity": 0.878392, "FDA_Category_D_Structural_Similarity": 0.367013, "FDA_Category_D_Weighted_Contribution": 0.772759, "FDA_Category_D_Top_Rank": -0.0724729, "FDA_Category_X_L1000_Similarity": 3.23395, "FDA_Category_X_Structural_Similarity": -0.348388, "FDA_Category_X_Weighted_Contribution": 1.2384, "FDA_Category_X_Top_Rank": 0.985876, "FDA_Category_D_and_X_L1000_Similarity": 1.73928, "FDA_Category_D_and_X_Structural_Similarity": 0.103314, "FDA_Category_D_and_X_Weighted_Contribution": 0.939901, "FDA_Category_D_and_X_Top_Rank": 0.0204372, "Placenta_Crossing_L1000_Similarity": 2.42315, "Placenta_Crossing_Structural_Similarity": -0.303486, "Placenta_Crossing_Weighted_Contribution": 0.784938, "Placenta_Crossing_Top_Rank": 0.223982, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:108143": { "type": "Drug", "properties": { "id": "CID:108143", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID108143", "label": "tamibarotene", "FDA_Category_D_L1000_Similarity": 0.314613, "FDA_Category_D_Structural_Similarity": -0.0477697, "FDA_Category_D_Weighted_Contribution": 0.0136318, "FDA_Category_D_Top_Rank": -0.0862323, "FDA_Category_X_L1000_Similarity": 2.21799, "FDA_Category_X_Structural_Similarity": 1.1934, "FDA_Category_X_Weighted_Contribution": 2.37937, "FDA_Category_X_Top_Rank": 0.0555568, "FDA_Category_D_and_X_L1000_Similarity": 0.944761, "FDA_Category_D_and_X_Structural_Similarity": 0.606039, "FDA_Category_D_and_X_Weighted_Contribution": 1.00106, "FDA_Category_D_and_X_Top_Rank": -0.0706399, "Placenta_Crossing_L1000_Similarity": 1.36011, "Placenta_Crossing_Structural_Similarity": -0.575451, "Placenta_Crossing_Weighted_Contribution": -0.0300042, "Placenta_Crossing_Top_Rank": -0.0517674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C", "InChI_key": "MUTNCGKQJGXKEM-UHFFFAOYSA-N" } }, "CID:11351021": { "type": "Drug", "properties": { "id": "CID:11351021", "label": "cyt-997", "lsm": "LSM-6232", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11351021", "FDA_Category_D_L1000_Similarity": 0.896885, "FDA_Category_D_Structural_Similarity": 0.602201, "FDA_Category_D_Weighted_Contribution": 1.03947, "FDA_Category_D_Top_Rank": -0.0674647, "FDA_Category_X_L1000_Similarity": -0.190266, "FDA_Category_X_Structural_Similarity": -0.198667, "FDA_Category_X_Weighted_Contribution": -0.389266, "FDA_Category_X_Top_Rank": -0.0845673, "FDA_Category_D_and_X_L1000_Similarity": 0.71535, "FDA_Category_D_and_X_Structural_Similarity": 0.370775, "FDA_Category_D_and_X_Weighted_Contribution": 0.617107, "FDA_Category_D_and_X_Top_Rank": -0.0776928, "Placenta_Crossing_L1000_Similarity": -0.117991, "Placenta_Crossing_Structural_Similarity": -0.172078, "Placenta_Crossing_Weighted_Contribution": -0.336199, "Placenta_Crossing_Top_Rank": -0.0855402, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC", "InChI_key": "MTJHLONVHHPNSI-IBGZPJMESA-N" } }, "CID:11485656": { "type": "Drug", "properties": { "id": "CID:11485656", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11485656", "label": "linifanib", "FDA_Category_D_L1000_Similarity": 0.844016, "FDA_Category_D_Structural_Similarity": 1.06162, "FDA_Category_D_Weighted_Contribution": 1.50774, "FDA_Category_D_Top_Rank": -0.0474885, "FDA_Category_X_L1000_Similarity": 0.189452, "FDA_Category_X_Structural_Similarity": -0.667078, "FDA_Category_X_Weighted_Contribution": -0.619915, "FDA_Category_X_Top_Rank": -0.0860378, "FDA_Category_D_and_X_L1000_Similarity": 0.785085, "FDA_Category_D_and_X_Structural_Similarity": 0.482672, "FDA_Category_D_and_X_Weighted_Contribution": 0.775062, "FDA_Category_D_and_X_Top_Rank": -0.0744198, "Placenta_Crossing_L1000_Similarity": 1.23238, "Placenta_Crossing_Structural_Similarity": 0.556552, "Placenta_Crossing_Weighted_Contribution": 1.05949, "Placenta_Crossing_Top_Rank": -0.0601938, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N", "InChI_key": "MPVGZUGXCQEXTM-UHFFFAOYSA-N" } }, "CID:11707110": { "type": "Drug", "properties": { "id": "CID:11707110", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11707110", "label": "trametinib", "FDA_Category_D_L1000_Similarity": -0.45541, "FDA_Category_D_Structural_Similarity": -0.522305, "FDA_Category_D_Weighted_Contribution": -0.752344, "FDA_Category_D_Top_Rank": -0.0943405, "FDA_Category_X_L1000_Similarity": -1.25577, "FDA_Category_X_Structural_Similarity": -0.663739, "FDA_Category_X_Weighted_Contribution": -1.11244, "FDA_Category_X_Top_Rank": -0.0916103, "FDA_Category_D_and_X_L1000_Similarity": -0.773927, "FDA_Category_D_and_X_Structural_Similarity": -0.772711, "FDA_Category_D_and_X_Weighted_Contribution": -1.01669, "FDA_Category_D_and_X_Top_Rank": -0.095817, "Placenta_Crossing_L1000_Similarity": -1.21645, "Placenta_Crossing_Structural_Similarity": -0.970831, "Placenta_Crossing_Weighted_Contribution": -1.22574, "Placenta_Crossing_Top_Rank": -0.0920538, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5", "InChI_key": "LIRYPHYGHXZJBZ-UHFFFAOYSA-N" } }, "CID:123630": { "type": "Drug", "properties": { "id": "CID:123630", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123630", "label": "tazobactam", "ref": "LSM-5323", "FDA_Category_D_L1000_Similarity": 0.536999, "FDA_Category_D_Structural_Similarity": -0.231302, "FDA_Category_D_Weighted_Contribution": -0.0365233, "FDA_Category_D_Top_Rank": -0.0843473, "FDA_Category_X_L1000_Similarity": 0.530321, "FDA_Category_X_Structural_Similarity": -0.717405, "FDA_Category_X_Weighted_Contribution": -0.523033, "FDA_Category_X_Top_Rank": -0.082111, "FDA_Category_D_and_X_L1000_Similarity": 0.623955, "FDA_Category_D_and_X_Structural_Similarity": -0.570696, "FDA_Category_D_and_X_Weighted_Contribution": -0.324113, "FDA_Category_D_and_X_Top_Rank": -0.0829807, "Placenta_Crossing_L1000_Similarity": 1.51121, "Placenta_Crossing_Structural_Similarity": -0.103576, "Placenta_Crossing_Weighted_Contribution": 0.509309, "Placenta_Crossing_Top_Rank": -0.038823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3", "InChI_key": "LPQZKKCYTLCDGQ-WEDXCCLWSA-N" } }, "CID:1317466": { "type": "Drug", "properties": { "id": "CID:1317466", "label": "sj-172550", "lsm": "LSM-6289", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1317466", "FDA_Category_D_L1000_Similarity": 1.53351, "FDA_Category_D_Structural_Similarity": -0.259324, "FDA_Category_D_Weighted_Contribution": 0.515397, "FDA_Category_D_Top_Rank": -0.00131662, "FDA_Category_X_L1000_Similarity": 2.69063, "FDA_Category_X_Structural_Similarity": -0.0853518, "FDA_Category_X_Weighted_Contribution": 1.22831, "FDA_Category_X_Top_Rank": 0.286378, "FDA_Category_D_and_X_L1000_Similarity": 2.139, "FDA_Category_D_and_X_Structural_Similarity": -0.251884, "FDA_Category_D_and_X_Weighted_Contribution": 0.800805, "FDA_Category_D_and_X_Top_Rank": 0.169082, "Placenta_Crossing_L1000_Similarity": 1.17073, "Placenta_Crossing_Structural_Similarity": -0.970219, "Placenta_Crossing_Weighted_Contribution": -0.454621, "Placenta_Crossing_Top_Rank": -0.0632789, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC", "InChI_key": "RKKFQJXGAQWHBZ-YVLHZVERSA-N" } }, "CID:1345": { "type": "Drug", "properties": { "id": "CID:1345", "label": "pk-11195", "lsm": "LSM-1532", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1345", "FDA_Category_D_L1000_Similarity": 1.03748, "FDA_Category_D_Structural_Similarity": -0.592298, "FDA_Category_D_Weighted_Contribution": -0.0994515, "FDA_Category_D_Top_Rank": -0.063143, "FDA_Category_X_L1000_Similarity": 2.83715, "FDA_Category_X_Structural_Similarity": -0.460293, "FDA_Category_X_Weighted_Contribution": 0.885901, "FDA_Category_X_Top_Rank": 0.36921, "FDA_Category_D_and_X_L1000_Similarity": 1.75592, "FDA_Category_D_and_X_Structural_Similarity": -0.718487, "FDA_Category_D_and_X_Weighted_Contribution": 0.111882, "FDA_Category_D_and_X_Top_Rank": 0.0242703, "Placenta_Crossing_L1000_Similarity": 2.55338, "Placenta_Crossing_Structural_Similarity": 1.50102, "Placenta_Crossing_Weighted_Contribution": 2.68752, "Placenta_Crossing_Top_Rank": 0.331418, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl", "InChI_key": "RAVIZVQZGXBOQO-UHFFFAOYSA-N" } }, "CID:135398737": { "type": "Drug", "properties": { "id": "CID:135398737", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135398737", "label": "clozapine", "FDA_Category_D_L1000_Similarity": 2.00755, "FDA_Category_D_Structural_Similarity": 0.255116, "FDA_Category_D_Weighted_Contribution": 1.3713, "FDA_Category_D_Top_Rank": 0.203947, "FDA_Category_X_L1000_Similarity": 0.419836, "FDA_Category_X_Structural_Similarity": 0.163433, "FDA_Category_X_Weighted_Contribution": 0.249066, "FDA_Category_X_Top_Rank": -0.0746629, "FDA_Category_D_and_X_L1000_Similarity": 1.85804, "FDA_Category_D_and_X_Structural_Similarity": 0.290677, "FDA_Category_D_and_X_Weighted_Contribution": 1.21147, "FDA_Category_D_and_X_Top_Rank": 0.0468743, "Placenta_Crossing_L1000_Similarity": 2.37111, "Placenta_Crossing_Structural_Similarity": 0.963016, "Placenta_Crossing_Weighted_Contribution": 2.0999, "Placenta_Crossing_Top_Rank": 0.191234, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42", "InChI_key": "QZUDBNBUXVUHMW-UHFFFAOYSA-N" } }, "CID:135659046": { "type": "Drug", "properties": { "id": "CID:135659046", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135659046", "label": "salermide", "FDA_Category_D_L1000_Similarity": -1.13988, "FDA_Category_D_Structural_Similarity": -0.8851, "FDA_Category_D_Weighted_Contribution": -1.20845, "FDA_Category_D_Top_Rank": -0.0964684, "FDA_Category_X_L1000_Similarity": -1.39306, "FDA_Category_X_Structural_Similarity": -0.714824, "FDA_Category_X_Weighted_Contribution": -1.18032, "FDA_Category_X_Top_Rank": -0.0917487, "FDA_Category_D_and_X_L1000_Similarity": -1.40564, "FDA_Category_D_and_X_Structural_Similarity": -1.08823, "FDA_Category_D_and_X_Weighted_Contribution": -1.34348, "FDA_Category_D_and_X_Top_Rank": -0.0965988, "Placenta_Crossing_L1000_Similarity": -2.40697, "Placenta_Crossing_Structural_Similarity": -1.06297, "Placenta_Crossing_Weighted_Contribution": -1.50602, "Placenta_Crossing_Top_Rank": -0.0924911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "HQSSEGBEYORUBY-WPWMEQJKSA-N" } }, "CID:151170": { "type": "Drug", "properties": { "id": "CID:151170", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID151170", "label": "cilomilast", "FDA_Category_D_L1000_Similarity": 0.520375, "FDA_Category_D_Structural_Similarity": 1.16055, "FDA_Category_D_Weighted_Contribution": 1.40905, "FDA_Category_D_Top_Rank": -0.0424301, "FDA_Category_X_L1000_Similarity": 1.29562, "FDA_Category_X_Structural_Similarity": 1.02346, "FDA_Category_X_Weighted_Contribution": 1.6953, "FDA_Category_X_Top_Rank": -0.039753, "FDA_Category_D_and_X_L1000_Similarity": 0.842027, "FDA_Category_D_and_X_Structural_Similarity": 1.4734, "FDA_Category_D_and_X_Weighted_Contribution": 1.85857, "FDA_Category_D_and_X_Top_Rank": -0.0179789, "Placenta_Crossing_L1000_Similarity": 0.964743, "Placenta_Crossing_Structural_Similarity": 1.04227, "Placenta_Crossing_Weighted_Contribution": 1.43743, "Placenta_Crossing_Top_Rank": -0.0481892, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COc1ccc(cc1OC2CCCC2)[C@]3(CC[C@H](CC3)C(O)=O)C#N", "InChI_key": "CFBUZOUXXHZCFB-LDTOLXSISA-N" } }, "CID:151932": { "type": "Drug", "properties": { "id": "CID:151932", "label": "chromium picolinate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/151932", "FDA_Category_D_L1000_Similarity": 0.417085, "FDA_Category_D_Structural_Similarity": -0.24481, "FDA_Category_D_Weighted_Contribution": -0.113932, "FDA_Category_D_Top_Rank": -0.0868873, "FDA_Category_X_L1000_Similarity": 0.155314, "FDA_Category_X_Structural_Similarity": -0.725937, "FDA_Category_X_Weighted_Contribution": -0.678933, "FDA_Category_X_Top_Rank": -0.0863793, "FDA_Category_D_and_X_L1000_Similarity": 0.406705, "FDA_Category_D_and_X_Structural_Similarity": -0.586022, "FDA_Category_D_and_X_Weighted_Contribution": -0.436203, "FDA_Category_D_and_X_Top_Rank": -0.0873635, "Placenta_Crossing_L1000_Similarity": -0.221056, "Placenta_Crossing_Structural_Similarity": -0.290685, "Placenta_Crossing_Weighted_Contribution": -0.475771, "Placenta_Crossing_Top_Rank": -0.0873472, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3]", "InChI_key": "CBDQOLKNTOMMTL-UHFFFAOYSA-K" } }, "CID:16490": { "type": "Drug", "properties": { "id": "CID:16490", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16490", "label": "flumethasone", "FDA_Category_D_L1000_Similarity": 0.823016, "FDA_Category_D_Structural_Similarity": 0.1015, "FDA_Category_D_Weighted_Contribution": 0.457959, "FDA_Category_D_Top_Rank": -0.0748022, "FDA_Category_X_L1000_Similarity": -0.0321447, "FDA_Category_X_Structural_Similarity": 1.83715, "FDA_Category_X_Weighted_Contribution": 1.86224, "FDA_Category_X_Top_Rank": 0.0193372, "FDA_Category_D_and_X_L1000_Similarity": 0.699696, "FDA_Category_D_and_X_Structural_Similarity": 1.07188, "FDA_Category_D_and_X_Weighted_Contribution": 1.35263, "FDA_Category_D_and_X_Top_Rank": -0.0485147, "Placenta_Crossing_L1000_Similarity": 1.03983, "Placenta_Crossing_Structural_Similarity": 0.62239, "Placenta_Crossing_Weighted_Contribution": 1.02514, "Placenta_Crossing_Top_Rank": -0.0658439, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F", "InChI_key": "WXURHACBFYSXBI-GQKYHHCASA-N" } }, "CID:16793302": { "type": "Drug", "properties": { "id": "CID:16793302", "label": "BG-1016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16793302", "FDA_Category_D_L1000_Similarity": -0.708523, "FDA_Category_D_Structural_Similarity": -0.159908, "FDA_Category_D_Weighted_Contribution": -0.595799, "FDA_Category_D_Top_Rank": -0.0887144, "FDA_Category_X_L1000_Similarity": -0.426318, "FDA_Category_X_Structural_Similarity": 1.19213, "FDA_Category_X_Weighted_Contribution": 0.907711, "FDA_Category_X_Top_Rank": -0.0290148, "FDA_Category_D_and_X_L1000_Similarity": -0.740221, "FDA_Category_D_and_X_Structural_Similarity": 0.516345, "FDA_Category_D_and_X_Weighted_Contribution": -0.0416761, "FDA_Category_D_and_X_Top_Rank": -0.0733542, "Placenta_Crossing_L1000_Similarity": -1.04627, "Placenta_Crossing_Structural_Similarity": 0.525017, "Placenta_Crossing_Weighted_Contribution": -0.139709, "Placenta_Crossing_Top_Rank": -0.0688338, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1983": { "type": "Drug", "properties": { "id": "CID:1983", "label": "acetaminophen", "lsm": "LSM-5533", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1983", "FDA_Category_D_L1000_Similarity": 1.838, "FDA_Category_D_Structural_Similarity": -0.80607, "FDA_Category_D_Weighted_Contribution": 0.142348, "FDA_Category_D_Top_Rank": 0.0889207, "FDA_Category_X_L1000_Similarity": 1.94347, "FDA_Category_X_Structural_Similarity": -0.273247, "FDA_Category_X_Weighted_Contribution": 0.596745, "FDA_Category_X_Top_Rank": 0.00183964, "FDA_Category_D_and_X_L1000_Similarity": 2.17459, "FDA_Category_D_and_X_Structural_Similarity": -0.787232, "FDA_Category_D_and_X_Weighted_Contribution": 0.272644, "FDA_Category_D_and_X_Top_Rank": 0.196011, "Placenta_Crossing_L1000_Similarity": 2.45659, "Placenta_Crossing_Structural_Similarity": -0.717342, "Placenta_Crossing_Weighted_Contribution": 0.372207, "Placenta_Crossing_Top_Rank": 0.257909, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(=O)NC1=CC=C(C=C1)O", "InChI_key": "RZVAJINKPMORJF-UHFFFAOYSA-N" } }, "CID:2145": { "type": "Drug", "properties": { "id": "CID:2145", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2145", "label": "aminoglutethimide", "FDA_Category_D_L1000_Similarity": 0.358736, "FDA_Category_D_Structural_Similarity": -0.427917, "FDA_Category_D_Weighted_Contribution": -0.306607, "FDA_Category_D_Top_Rank": -0.0878675, "FDA_Category_X_L1000_Similarity": 1.73101, "FDA_Category_X_Structural_Similarity": -0.585969, "FDA_Category_X_Weighted_Contribution": 0.153316, "FDA_Category_X_Top_Rank": -0.0273989, "FDA_Category_D_and_X_L1000_Similarity": 0.834915, "FDA_Category_D_and_X_Structural_Similarity": -0.65583, "FDA_Category_D_and_X_Weighted_Contribution": -0.296294, "FDA_Category_D_and_X_Top_Rank": -0.0765219, "Placenta_Crossing_L1000_Similarity": 1.81117, "Placenta_Crossing_Structural_Similarity": -0.205567, "Placenta_Crossing_Weighted_Contribution": 0.561289, "Placenta_Crossing_Top_Rank": 0.00213358, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N", "InChI_key": "ROBVIMPUHSLWNV-UHFFFAOYSA-N" } }, "CID:216345": { "type": "Drug", "properties": { "id": "CID:216345", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216345", "label": "nutlin-3", "FDA_Category_D_L1000_Similarity": 1.16918, "FDA_Category_D_Structural_Similarity": 0.0132985, "FDA_Category_D_Weighted_Contribution": 0.577554, "FDA_Category_D_Top_Rank": -0.0517228, "FDA_Category_X_L1000_Similarity": -1.64024, "FDA_Category_X_Structural_Similarity": -0.561544, "FDA_Category_X_Weighted_Contribution": -1.16391, "FDA_Category_X_Top_Rank": -0.0906251, "FDA_Category_D_and_X_L1000_Similarity": 0.509739, "FDA_Category_D_and_X_Structural_Similarity": -0.292452, "FDA_Category_D_and_X_Weighted_Contribution": -0.139259, "FDA_Category_D_and_X_Top_Rank": -0.0854463, "Placenta_Crossing_L1000_Similarity": -0.427239, "Placenta_Crossing_Structural_Similarity": -0.684362, "Placenta_Crossing_Weighted_Contribution": -0.837103, "Placenta_Crossing_Top_Rank": -0.0905495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl", "InChI_key": "BDUHCSBCVGXTJM-UHFFFAOYSA-N" } }, "CID:222786": { "type": "Drug", "properties": { "id": "CID:222786", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/222786", "label": "cortisone", "ref": "LSM-5860", "FDA_Category_D_L1000_Similarity": 0.445623, "FDA_Category_D_Structural_Similarity": -0.498942, "FDA_Category_D_Weighted_Contribution": -0.323849, "FDA_Category_D_Top_Rank": -0.086346, "FDA_Category_X_L1000_Similarity": 0.535331, "FDA_Category_X_Structural_Similarity": 3.24646, "FDA_Category_X_Weighted_Contribution": 3.43291, "FDA_Category_X_Top_Rank": 0.275776, "FDA_Category_D_and_X_L1000_Similarity": 0.546705, "FDA_Category_D_and_X_Structural_Similarity": 1.35576, "FDA_Category_D_and_X_Weighted_Contribution": 1.56334, "FDA_Category_D_and_X_Top_Rank": -0.0265872, "Placenta_Crossing_L1000_Similarity": 1.1994, "Placenta_Crossing_Structural_Similarity": 1.70381, "Placenta_Crossing_Weighted_Contribution": 2.24415, "Placenta_Crossing_Top_Rank": -0.000586445, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C", "InChI_key": "MFYSYFVPBJMHGN-ZPOLXVRWSA-N" } }, "CID:24779724": { "type": "Drug", "properties": { "id": "CID:24779724", "label": "sgx-523", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24779724", "FDA_Category_D_L1000_Similarity": 0.972269, "FDA_Category_D_Structural_Similarity": -0.830401, "FDA_Category_D_Weighted_Contribution": -0.343457, "FDA_Category_D_Top_Rank": -0.0668105, "FDA_Category_X_L1000_Similarity": 0.25763, "FDA_Category_X_Structural_Similarity": -0.605473, "FDA_Category_X_Weighted_Contribution": -0.543133, "FDA_Category_X_Top_Rank": -0.085332, "FDA_Category_D_and_X_L1000_Similarity": 0.916346, "FDA_Category_D_and_X_Structural_Similarity": -0.985811, "FDA_Category_D_and_X_Weighted_Contribution": -0.525656, "FDA_Category_D_and_X_Top_Rank": -0.0733234, "Placenta_Crossing_L1000_Similarity": 0.990089, "Placenta_Crossing_Structural_Similarity": -0.915639, "Placenta_Crossing_Weighted_Contribution": -0.484115, "Placenta_Crossing_Top_Rank": -0.0707699, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2", "InChI_key": "BCZUAADEACICHN-UHFFFAOYSA-N" } }, "CID:24795070": { "type": "Drug", "properties": { "id": "CID:24795070", "label": "sgi-1776", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24795070", "FDA_Category_D_L1000_Similarity": -2.02291, "FDA_Category_D_Structural_Similarity": -0.65766, "FDA_Category_D_Weighted_Contribution": -1.34279, "FDA_Category_D_Top_Rank": -0.0955147, "FDA_Category_X_L1000_Similarity": 1.71695, "FDA_Category_X_Structural_Similarity": -0.247425, "FDA_Category_X_Weighted_Contribution": 0.501499, "FDA_Category_X_Top_Rank": -0.028927, "FDA_Category_D_and_X_L1000_Similarity": -1.22237, "FDA_Category_D_and_X_Structural_Similarity": -0.655503, "FDA_Category_D_and_X_Weighted_Contribution": -1.0909, "FDA_Category_D_and_X_Top_Rank": -0.0951775, "Placenta_Crossing_L1000_Similarity": -1.43755, "Placenta_Crossing_Structural_Similarity": -0.821156, "Placenta_Crossing_Weighted_Contribution": -1.20759, "Placenta_Crossing_Top_Rank": -0.0918335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2", "InChI_key": "MHXGEROHKGDZGO-UHFFFAOYSA-N" } }, "CID:24800541": { "type": "Drug", "properties": { "id": "CID:24800541", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24800541", "label": "delanzomib", "FDA_Category_D_L1000_Similarity": -1.22469, "FDA_Category_D_Structural_Similarity": 1.69622, "FDA_Category_D_Weighted_Contribution": 0.878134, "FDA_Category_D_Top_Rank": 0.00480758, "FDA_Category_X_L1000_Similarity": -2.75888, "FDA_Category_X_Structural_Similarity": -0.494988, "FDA_Category_X_Weighted_Contribution": -1.40856, "FDA_Category_X_Top_Rank": -0.0897366, "FDA_Category_D_and_X_L1000_Similarity": -1.89352, "FDA_Category_D_and_X_Structural_Similarity": 1.07922, "FDA_Category_D_and_X_Weighted_Contribution": -0.117402, "FDA_Category_D_and_X_Top_Rank": -0.04778, "Placenta_Crossing_L1000_Similarity": -1.77037, "Placenta_Crossing_Structural_Similarity": -0.576794, "Placenta_Crossing_Weighted_Contribution": -1.17003, "Placenta_Crossing_Top_Rank": -0.0903725, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O", "InChI_key": "SJFBTAPEPRWNKH-CCKFTAQKSA-N" } }, "CID:24875320": { "type": "Drug", "properties": { "id": "CID:24875320", "label": "5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide", "lsm": "LSM-1003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24875320", "FDA_Category_D_L1000_Similarity": 0.614741, "FDA_Category_D_Structural_Similarity": -0.464067, "FDA_Category_D_Weighted_Contribution": -0.207235, "FDA_Category_D_Top_Rank": -0.0822198, "FDA_Category_X_L1000_Similarity": 0.762574, "FDA_Category_X_Structural_Similarity": 0.166155, "FDA_Category_X_Weighted_Contribution": 0.43266, "FDA_Category_X_Top_Rank": -0.0745825, "FDA_Category_D_and_X_L1000_Similarity": 0.761498, "FDA_Category_D_and_X_Structural_Similarity": -0.278679, "FDA_Category_D_and_X_Weighted_Contribution": 0.0014067, "FDA_Category_D_and_X_Top_Rank": -0.0791586, "Placenta_Crossing_L1000_Similarity": 1.25308, "Placenta_Crossing_Structural_Similarity": -0.456401, "Placenta_Crossing_Weighted_Contribution": 0.0304546, "Placenta_Crossing_Top_Rank": -0.0588885, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)N", "InChI_key": "SAAYRHKJHDIDPH-UHFFFAOYSA-N" } }, "CID:24946690": { "type": "Drug", "properties": { "id": "CID:24946690", "label": "bitopertin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24946690", "FDA_Category_D_L1000_Similarity": -0.303292, "FDA_Category_D_Structural_Similarity": -0.909329, "FDA_Category_D_Weighted_Contribution": -0.948879, "FDA_Category_D_Top_Rank": -0.0942494, "FDA_Category_X_L1000_Similarity": 0.933649, "FDA_Category_X_Structural_Similarity": 1.24388, "FDA_Category_X_Weighted_Contribution": 1.73946, "FDA_Category_X_Top_Rank": -0.0252205, "FDA_Category_D_and_X_L1000_Similarity": 0.0220744, "FDA_Category_D_and_X_Structural_Similarity": -0.0505537, "FDA_Category_D_and_X_Weighted_Contribution": -0.167137, "FDA_Category_D_and_X_Top_Rank": -0.0872991, "Placenta_Crossing_L1000_Similarity": -0.218234, "Placenta_Crossing_Structural_Similarity": 2.00624, "Placenta_Crossing_Weighted_Contribution": 1.82361, "Placenta_Crossing_Top_Rank": 0.0327823, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F", "InChI_key": "YUUGYIUSCYNSQR-LBPRGKRZSA-N" } }, "CID:25154867": { "type": "Drug", "properties": { "id": "CID:25154867", "label": "pf-3845", "lsm": "LSM-6265", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25154867", "FDA_Category_D_L1000_Similarity": 1.08332, "FDA_Category_D_Structural_Similarity": -0.849676, "FDA_Category_D_Weighted_Contribution": -0.304421, "FDA_Category_D_Top_Rank": -0.0598583, "FDA_Category_X_L1000_Similarity": 0.875819, "FDA_Category_X_Structural_Similarity": -0.661913, "FDA_Category_X_Weighted_Contribution": -0.327592, "FDA_Category_X_Top_Rank": -0.0750568, "FDA_Category_D_and_X_L1000_Similarity": 1.19981, "FDA_Category_D_and_X_Structural_Similarity": -1.03157, "FDA_Category_D_and_X_Weighted_Contribution": -0.436964, "FDA_Category_D_and_X_Top_Rank": -0.0546704, "Placenta_Crossing_L1000_Similarity": 0.83967, "Placenta_Crossing_Structural_Similarity": 1.06107, "Placenta_Crossing_Weighted_Contribution": 1.38934, "Placenta_Crossing_Top_Rank": -0.0474831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4", "InChI_key": "NBOJHRYUGLRASX-UHFFFAOYSA-N" } }, "CID:25183872": { "type": "Drug", "properties": { "id": "CID:25183872", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25183872", "label": "ixazomib", "FDA_Category_D_L1000_Similarity": -1.23374, "FDA_Category_D_Structural_Similarity": 1.28329, "FDA_Category_D_Weighted_Contribution": 0.434575, "FDA_Category_D_Top_Rank": -0.0354948, "FDA_Category_X_L1000_Similarity": -2.20937, "FDA_Category_X_Structural_Similarity": -0.554645, "FDA_Category_X_Weighted_Contribution": -1.30913, "FDA_Category_X_Top_Rank": -0.0905468, "FDA_Category_D_and_X_L1000_Similarity": -1.73445, "FDA_Category_D_and_X_Structural_Similarity": 0.719281, "FDA_Category_D_and_X_Weighted_Contribution": -0.350772, "FDA_Category_D_and_X_Top_Rank": -0.0667253, "Placenta_Crossing_L1000_Similarity": -1.55699, "Placenta_Crossing_Structural_Similarity": -0.420875, "Placenta_Crossing_Weighted_Contribution": -1.02745, "Placenta_Crossing_Top_Rank": -0.0889172, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O", "InChI_key": "MXAYKZJJDUDWDS-LBPRGKRZSA-N" } }, "CID:26879": { "type": "Drug", "properties": { "id": "CID:26879", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26879", "label": "levamisole", "FDA_Category_D_L1000_Similarity": -0.0125861, "FDA_Category_D_Structural_Similarity": -0.852618, "FDA_Category_D_Weighted_Contribution": -0.80141, "FDA_Category_D_Top_Rank": -0.0922744, "FDA_Category_X_L1000_Similarity": 1.36915, "FDA_Category_X_Structural_Similarity": -0.738802, "FDA_Category_X_Weighted_Contribution": -0.172692, "FDA_Category_X_Top_Rank": -0.0551556, "FDA_Category_D_and_X_L1000_Similarity": 0.404935, "FDA_Category_D_and_X_Structural_Similarity": -1.07539, "FDA_Category_D_and_X_Weighted_Contribution": -0.795495, "FDA_Category_D_and_X_Top_Rank": -0.0873721, "Placenta_Crossing_L1000_Similarity": 1.99945, "Placenta_Crossing_Structural_Similarity": -1.09552, "Placenta_Crossing_Weighted_Contribution": -0.206677, "Placenta_Crossing_Top_Rank": 0.043794, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CSC2=NC(CN21)C3=CC=CC=C3", "InChI_key": "HLFSDGLLUJUHTE-SNVBAGLBSA-N" } }, "CID:2723": { "type": "Drug", "properties": { "id": "CID:2723", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2723", "label": "chloroxylenol", "FDA_Category_D_L1000_Similarity": -0.55842, "FDA_Category_D_Structural_Similarity": -0.863319, "FDA_Category_D_Weighted_Contribution": -1.01141, "FDA_Category_D_Top_Rank": -0.09534, "FDA_Category_X_L1000_Similarity": 0.0782317, "FDA_Category_X_Structural_Similarity": -0.51408, "FDA_Category_X_Weighted_Contribution": -0.54181, "FDA_Category_X_Top_Rank": -0.0870067, "FDA_Category_D_and_X_L1000_Similarity": -0.457606, "FDA_Category_D_and_X_Structural_Similarity": -0.962623, "FDA_Category_D_and_X_Weighted_Contribution": -1.02385, "FDA_Category_D_and_X_Top_Rank": -0.0949159, "Placenta_Crossing_L1000_Similarity": 0.0980928, "Placenta_Crossing_Structural_Similarity": -0.898146, "Placenta_Crossing_Weighted_Contribution": -0.802109, "Placenta_Crossing_Top_Rank": -0.0875867, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC(=C1Cl)C)O", "InChI_key": "OSDLLIBGSJNGJE-UHFFFAOYSA-N" } }, "CID:2814135": { "type": "Drug", "properties": { "id": "CID:2814135", "label": "cs-2092524", "lsm": "LSM-3411", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2814135", "FDA_Category_D_L1000_Similarity": 1.31798, "FDA_Category_D_Structural_Similarity": -0.543797, "FDA_Category_D_Weighted_Contribution": 0.101275, "FDA_Category_D_Top_Rank": -0.0356538, "FDA_Category_X_L1000_Similarity": -0.479555, "FDA_Category_X_Structural_Similarity": -0.646527, "FDA_Category_X_Weighted_Contribution": -0.853199, "FDA_Category_X_Top_Rank": -0.0899648, "FDA_Category_D_and_X_L1000_Similarity": 0.99049, "FDA_Category_D_and_X_Structural_Similarity": -0.780482, "FDA_Category_D_and_X_Weighted_Contribution": -0.327719, "FDA_Category_D_and_X_Top_Rank": -0.0697956, "Placenta_Crossing_L1000_Similarity": 0.965071, "Placenta_Crossing_Structural_Similarity": -1.04602, "Placenta_Crossing_Weighted_Contribution": -0.594456, "Placenta_Crossing_Top_Rank": -0.0716128, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)NC=C3", "InChI_key": "NATNBAQTCHTIFV-UHFFFAOYSA-N" } }, "CID:2946601": { "type": "Drug", "properties": { "id": "CID:2946601", "label": "JW-55", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2946601", "FDA_Category_D_L1000_Similarity": 1.08379, "FDA_Category_D_Structural_Similarity": -0.723733, "FDA_Category_D_Weighted_Contribution": -0.19388, "FDA_Category_D_Top_Rank": -0.0597603, "FDA_Category_X_L1000_Similarity": 2.27073, "FDA_Category_X_Structural_Similarity": 1.04785, "FDA_Category_X_Weighted_Contribution": 2.25548, "FDA_Category_X_Top_Rank": 0.0698154, "FDA_Category_D_and_X_L1000_Similarity": 1.62383, "FDA_Category_D_and_X_Structural_Similarity": -0.00901951, "FDA_Category_D_and_X_Weighted_Contribution": 0.752408, "FDA_Category_D_and_X_Top_Rank": -0.00335845, "Placenta_Crossing_L1000_Similarity": 1.33998, "Placenta_Crossing_Structural_Similarity": -0.0253144, "Placenta_Crossing_Weighted_Contribution": 0.500436, "Placenta_Crossing_Top_Rank": -0.053052, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3003141": { "type": "Drug", "properties": { "id": "CID:3003141", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3003141", "label": "luliconazole", "FDA_Category_D_L1000_Similarity": 1.04862, "FDA_Category_D_Structural_Similarity": -0.484451, "FDA_Category_D_Weighted_Contribution": 0.00714299, "FDA_Category_D_Top_Rank": -0.0624633, "FDA_Category_X_L1000_Similarity": 1.30601, "FDA_Category_X_Structural_Similarity": -0.713905, "FDA_Category_X_Weighted_Contribution": -0.178943, "FDA_Category_X_Top_Rank": -0.0587202, "FDA_Category_D_and_X_L1000_Similarity": 1.30053, "FDA_Category_D_and_X_Structural_Similarity": -0.769735, "FDA_Category_D_and_X_Weighted_Contribution": -0.169358, "FDA_Category_D_and_X_Top_Rank": -0.0469705, "Placenta_Crossing_L1000_Similarity": 0.430264, "Placenta_Crossing_Structural_Similarity": 0.0698023, "Placenta_Crossing_Weighted_Contribution": 0.134125, "Placenta_Crossing_Top_Rank": -0.0807284, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(SC(=C(C#N)N2C=CN=C2)S1)C3=C(C=C(C=C3)Cl)Cl", "InChI_key": "YTAOBBFIOAEMLL-REQDGWNSSA-N" } }, "CID:31549": { "type": "Drug", "properties": { "id": "CID:31549", "label": "anisomycin", "lsm": "LSM-4047", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31549", "FDA_Category_D_L1000_Similarity": -1.33422, "FDA_Category_D_Structural_Similarity": -0.0248409, "FDA_Category_D_Weighted_Contribution": -0.764328, "FDA_Category_D_Top_Rank": -0.0856988, "FDA_Category_X_L1000_Similarity": -2.54636, "FDA_Category_X_Structural_Similarity": 1.94762, "FDA_Category_X_Weighted_Contribution": 0.568473, "FDA_Category_X_Top_Rank": 0.034862, "FDA_Category_D_and_X_L1000_Similarity": -1.9234, "FDA_Category_D_and_X_Structural_Similarity": 1.03121, "FDA_Category_D_and_X_Weighted_Contribution": -0.174892, "FDA_Category_D_and_X_Top_Rank": -0.0512682, "Placenta_Crossing_L1000_Similarity": -2.12953, "Placenta_Crossing_Structural_Similarity": 0.287804, "Placenta_Crossing_Weighted_Contribution": -0.764198, "Placenta_Crossing_Top_Rank": -0.0753138, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3157": { "type": "Drug", "properties": { "id": "CID:3157", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3157", "label": "doxazosin", "ref": "LSM-4335", "FDA_Category_D_L1000_Similarity": 2.05556, "FDA_Category_D_Structural_Similarity": 1.32264, "FDA_Category_D_Weighted_Contribution": 2.50095, "FDA_Category_D_Top_Rank": 0.240723, "FDA_Category_X_L1000_Similarity": 0.88997, "FDA_Category_X_Structural_Similarity": -0.104539, "FDA_Category_X_Weighted_Contribution": 0.215273, "FDA_Category_X_Top_Rank": -0.0747029, "FDA_Category_D_and_X_L1000_Similarity": 2.04219, "FDA_Category_D_and_X_Structural_Similarity": 0.993386, "FDA_Category_D_and_X_Weighted_Contribution": 2.05333, "FDA_Category_D_and_X_Top_Rank": 0.115278, "Placenta_Crossing_L1000_Similarity": 1.02963, "Placenta_Crossing_Structural_Similarity": 1.12786, "Placenta_Crossing_Weighted_Contribution": 1.56449, "Placenta_Crossing_Top_Rank": -0.0440154, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC", "InChI_key": "RUZYUOTYCVRMRZ-UHFFFAOYSA-N" } }, "CID:3248000": { "type": "Drug", "properties": { "id": "CID:3248000", "label": "3'-fluorobenzylspiperone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3248000", "FDA_Category_D_L1000_Similarity": -2.14388, "FDA_Category_D_Structural_Similarity": -0.535074, "FDA_Category_D_Weighted_Contribution": -1.32022, "FDA_Category_D_Top_Rank": -0.0945081, "FDA_Category_X_L1000_Similarity": -2.16023, "FDA_Category_X_Structural_Similarity": 1.48542, "FDA_Category_X_Weighted_Contribution": 0.281198, "FDA_Category_X_Top_Rank": -0.00955687, "FDA_Category_D_and_X_L1000_Similarity": -2.50409, "FDA_Category_D_and_X_Structural_Similarity": 0.376831, "FDA_Category_D_and_X_Weighted_Contribution": -0.910007, "FDA_Category_D_and_X_Top_Rank": -0.0775124, "Placenta_Crossing_L1000_Similarity": -2.38425, "Placenta_Crossing_Structural_Similarity": -0.0152629, "Placenta_Crossing_Weighted_Contribution": -1.03549, "Placenta_Crossing_Top_Rank": -0.08259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3348": { "type": "Drug", "properties": { "id": "CID:3348", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3348", "label": "fexofenadine", "FDA_Category_D_L1000_Similarity": 1.24626, "FDA_Category_D_Structural_Similarity": 2.36474, "FDA_Category_D_Weighted_Contribution": 2.98849, "FDA_Category_D_Top_Rank": 0.111938, "FDA_Category_X_L1000_Similarity": 1.18911, "FDA_Category_X_Structural_Similarity": -0.197666, "FDA_Category_X_Weighted_Contribution": 0.273844, "FDA_Category_X_Top_Rank": -0.0646738, "FDA_Category_D_and_X_L1000_Similarity": 1.43541, "FDA_Category_D_and_X_Structural_Similarity": 1.77027, "FDA_Category_D_and_X_Weighted_Contribution": 2.46861, "FDA_Category_D_and_X_Top_Rank": 0.0127197, "Placenta_Crossing_L1000_Similarity": 0.996726, "Placenta_Crossing_Structural_Similarity": 0.177131, "Placenta_Crossing_Weighted_Contribution": 0.529679, "Placenta_Crossing_Top_Rank": -0.0705294, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O", "InChI_key": "RWTNPBWLLIMQHL-UHFFFAOYSA-N" } }, "CID:3365": { "type": "Drug", "properties": { "id": "CID:3365", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3365", "label": "fluconazole", "ref": "LSM-2106", "FDA_Category_D_L1000_Similarity": 2.17404, "FDA_Category_D_Structural_Similarity": 1.87569, "FDA_Category_D_Weighted_Contribution": 3.03047, "FDA_Category_D_Top_Rank": 0.356258, "FDA_Category_X_L1000_Similarity": 2.28563, "FDA_Category_X_Structural_Similarity": 0.879799, "FDA_Category_X_Weighted_Contribution": 2.08418, "FDA_Category_X_Top_Rank": 0.0740764, "FDA_Category_D_and_X_L1000_Similarity": 2.56817, "FDA_Category_D_and_X_Structural_Similarity": 1.96349, "FDA_Category_D_and_X_Weighted_Contribution": 3.1278, "FDA_Category_D_and_X_Top_Rank": 0.614686, "Placenta_Crossing_L1000_Similarity": 2.36921, "Placenta_Crossing_Structural_Similarity": -0.264701, "Placenta_Crossing_Weighted_Contribution": 0.797087, "Placenta_Crossing_Top_Rank": 0.189694, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O", "InChI_key": "RFHAOTPXVQNOHP-UHFFFAOYSA-N" } }, "CID:3396": { "type": "Drug", "properties": { "id": "CID:3396", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3396", "label": "fluspirilene", "FDA_Category_D_L1000_Similarity": -0.668025, "FDA_Category_D_Structural_Similarity": -0.827753, "FDA_Category_D_Weighted_Contribution": -1.02821, "FDA_Category_D_Top_Rank": -0.0956428, "FDA_Category_X_L1000_Similarity": 2.32302, "FDA_Category_X_Structural_Similarity": 0.147962, "FDA_Category_X_Weighted_Contribution": 1.28465, "FDA_Category_X_Top_Rank": 0.0838907, "FDA_Category_D_and_X_L1000_Similarity": 0.129597, "FDA_Category_D_and_X_Structural_Similarity": -0.577159, "FDA_Category_D_and_X_Weighted_Contribution": -0.550394, "FDA_Category_D_and_X_Top_Rank": -0.0910208, "Placenta_Crossing_L1000_Similarity": -0.891881, "Placenta_Crossing_Structural_Similarity": -0.184613, "Placenta_Crossing_Weighted_Contribution": -0.654167, "Placenta_Crossing_Top_Rank": -0.0857189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F", "InChI_key": "QOYHHIBFXOOADH-UHFFFAOYSA-N" } }, "CID:3401": { "type": "Drug", "properties": { "id": "CID:3401", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3401", "label": "flutrimazole", "FDA_Category_D_L1000_Similarity": -1.00255, "FDA_Category_D_Structural_Similarity": 1.47481, "FDA_Category_D_Weighted_Contribution": 0.779574, "FDA_Category_D_Top_Rank": -0.0197881, "FDA_Category_X_L1000_Similarity": 0.364457, "FDA_Category_X_Structural_Similarity": -0.718575, "FDA_Category_X_Weighted_Contribution": -0.59129, "FDA_Category_X_Top_Rank": -0.0842139, "FDA_Category_D_and_X_L1000_Similarity": -0.75354, "FDA_Category_D_and_X_Structural_Similarity": 0.782832, "FDA_Category_D_and_X_Weighted_Contribution": 0.202855, "FDA_Category_D_and_X_Top_Rank": -0.064036, "Placenta_Crossing_L1000_Similarity": 0.402532, "Placenta_Crossing_Structural_Similarity": -0.882226, "Placenta_Crossing_Weighted_Contribution": -0.683799, "Placenta_Crossing_Top_Rank": -0.0844526, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CN=C4", "InChI_key": "QHMWCHQXCUNUAK-UHFFFAOYSA-N" } }, "CID:3503": { "type": "Drug", "properties": { "id": "CID:3503", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3503", "label": "gossypol", "FDA_Category_D_L1000_Similarity": -0.603887, "FDA_Category_D_Structural_Similarity": -0.544467, "FDA_Category_D_Weighted_Contribution": -0.827163, "FDA_Category_D_Top_Rank": -0.0945788, "FDA_Category_X_L1000_Similarity": -1.49451, "FDA_Category_X_Structural_Similarity": -0.453006, "FDA_Category_X_Weighted_Contribution": -1.05813, "FDA_Category_X_Top_Rank": -0.0891107, "FDA_Category_D_and_X_L1000_Similarity": -0.974413, "FDA_Category_D_and_X_Structural_Similarity": -0.67659, "FDA_Category_D_and_X_Weighted_Contribution": -1.02594, "FDA_Category_D_and_X_Top_Rank": -0.0953006, "Placenta_Crossing_L1000_Similarity": -1.12347, "Placenta_Crossing_Structural_Similarity": -0.37627, "Placenta_Crossing_Weighted_Contribution": -0.866442, "Placenta_Crossing_Top_Rank": -0.0884432, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O", "InChI_key": "QBKSWRVVCFFDOT-UHFFFAOYSA-N" } }, "CID:3657": { "type": "Drug", "properties": { "id": "CID:3657", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3657", "label": "hydroxyurea", "FDA_Category_D_L1000_Similarity": 1.99511, "FDA_Category_D_Structural_Similarity": 0.271972, "FDA_Category_D_Weighted_Contribution": 1.38176, "FDA_Category_D_Top_Rank": 0.197516, "FDA_Category_X_L1000_Similarity": 2.0566, "FDA_Category_X_Structural_Similarity": -0.312854, "FDA_Category_X_Weighted_Contribution": 0.61538, "FDA_Category_X_Top_Rank": 0.0203616, "FDA_Category_D_and_X_L1000_Similarity": 2.34437, "FDA_Category_D_and_X_Structural_Similarity": 0.0470527, "FDA_Category_D_and_X_Weighted_Contribution": 1.24254, "FDA_Category_D_and_X_Top_Rank": 0.319151, "Placenta_Crossing_L1000_Similarity": 1.85863, "Placenta_Crossing_Structural_Similarity": -0.177156, "Placenta_Crossing_Weighted_Contribution": 0.616025, "Placenta_Crossing_Top_Rank": 0.0112848, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C(=O)(N)NO", "InChI_key": "VSNHCAURESNICA-UHFFFAOYSA-N" } }, "CID:400169": { "type": "Drug", "properties": { "id": "CID:400169", "label": "SC-144", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/400169", "FDA_Category_D_L1000_Similarity": -0.525509, "FDA_Category_D_Structural_Similarity": 0.678724, "FDA_Category_D_Weighted_Contribution": 0.24183, "FDA_Category_D_Top_Rank": -0.064951, "FDA_Category_X_L1000_Similarity": -1.42179, "FDA_Category_X_Structural_Similarity": 0.418572, "FDA_Category_X_Weighted_Contribution": -0.388418, "FDA_Category_X_Top_Rank": -0.0650578, "FDA_Category_D_and_X_L1000_Similarity": -0.884777, "FDA_Category_D_and_X_Structural_Similarity": 0.764572, "FDA_Category_D_and_X_Weighted_Contribution": 0.114521, "FDA_Category_D_and_X_Top_Rank": -0.0648913, "Placenta_Crossing_L1000_Similarity": -1.66013, "Placenta_Crossing_Structural_Similarity": 0.913273, "Placenta_Crossing_Weighted_Contribution": -0.070039, "Placenta_Crossing_Top_Rank": -0.0542677, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4112": { "type": "Drug", "properties": { "id": "CID:4112", "label": "methotrexate", "lsm": "LSM-4285", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4112", "drugcentral_id": "1751", "smiles": "CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O", "IDG_ID": "1751", "FDA_Category_D_L1000_Similarity": 0.812714, "FDA_Category_D_Structural_Similarity": 2.76835, "FDA_Category_D_Weighted_Contribution": 3.10239, "FDA_Category_D_Top_Rank": 0.178357, "FDA_Category_X_L1000_Similarity": -4.21599, "FDA_Category_X_Structural_Similarity": -0.422128, "FDA_Category_X_Weighted_Contribution": -1.64993, "FDA_Category_X_Top_Rank": -0.0885887, "FDA_Category_D_and_X_L1000_Similarity": -0.579751, "FDA_Category_D_and_X_Structural_Similarity": 1.96949, "FDA_Category_D_and_X_Weighted_Contribution": 1.5446, "FDA_Category_D_and_X_Top_Rank": 0.0314261, "Placenta_Crossing_L1000_Similarity": -1.65595, "Placenta_Crossing_Structural_Similarity": 0.867017, "Placenta_Crossing_Weighted_Contribution": -0.110228, "Placenta_Crossing_Top_Rank": -0.0566739, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:415541": { "type": "Drug", "properties": { "id": "CID:415541", "label": "u-18666a", "lsm": "LSM-1831", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/415541", "FDA_Category_D_L1000_Similarity": -2.31299, "FDA_Category_D_Structural_Similarity": 1.66289, "FDA_Category_D_Weighted_Contribution": 0.179821, "FDA_Category_D_Top_Rank": 0.00165608, "FDA_Category_X_L1000_Similarity": 0.559576, "FDA_Category_X_Structural_Similarity": 3.62778, "FDA_Category_X_Weighted_Contribution": 3.68564, "FDA_Category_X_Top_Rank": 0.413283, "FDA_Category_D_and_X_L1000_Similarity": -1.8239, "FDA_Category_D_and_X_Structural_Similarity": 3.27739, "FDA_Category_D_and_X_Weighted_Contribution": 2.16824, "FDA_Category_D_and_X_Top_Rank": 0.287558, "Placenta_Crossing_L1000_Similarity": -2.64869, "Placenta_Crossing_Structural_Similarity": 0.218441, "Placenta_Crossing_Weighted_Contribution": -0.977458, "Placenta_Crossing_Top_Rank": -0.0772896, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C", "InChI_key": "DMZCCFMMPHJWQY-UHFFFAOYSA-N" } }, "CID:4377504": { "type": "Drug", "properties": { "id": "CID:4377504", "label": "CFM-2", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4377504", "FDA_Category_D_L1000_Similarity": 0.790735, "FDA_Category_D_Structural_Similarity": -0.345643, "FDA_Category_D_Weighted_Contribution": -0.00438092, "FDA_Category_D_Top_Rank": -0.0763731, "FDA_Category_X_L1000_Similarity": 1.67141, "FDA_Category_X_Structural_Similarity": -0.343808, "FDA_Category_X_Weighted_Contribution": 0.373886, "FDA_Category_X_Top_Rank": -0.0330608, "FDA_Category_D_and_X_L1000_Similarity": 1.1892, "FDA_Category_D_and_X_Structural_Similarity": -0.459859, "FDA_Category_D_and_X_Weighted_Contribution": 0.0560406, "FDA_Category_D_and_X_Top_Rank": -0.0554719, "Placenta_Crossing_L1000_Similarity": 1.6505, "Placenta_Crossing_Structural_Similarity": -0.531486, "Placenta_Crossing_Weighted_Contribution": 0.15128, "Placenta_Crossing_Top_Rank": -0.0224889, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:441130": { "type": "Drug", "properties": { "id": "CID:441130", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441130", "label": "meropenem", "FDA_Category_D_L1000_Similarity": 0.628625, "FDA_Category_D_Structural_Similarity": -0.0436955, "FDA_Category_D_Weighted_Contribution": 0.195584, "FDA_Category_D_Top_Rank": -0.081832, "FDA_Category_X_L1000_Similarity": 1.51115, "FDA_Category_X_Structural_Similarity": -0.677193, "FDA_Category_X_Weighted_Contribution": -0.0464713, "FDA_Category_X_Top_Rank": -0.0463007, "FDA_Category_D_and_X_L1000_Similarity": 1.00079, "FDA_Category_D_and_X_Structural_Similarity": -0.400093, "FDA_Category_D_and_X_Weighted_Contribution": 0.0132132, "FDA_Category_D_and_X_Top_Rank": -0.0691079, "Placenta_Crossing_L1000_Similarity": 1.23748, "Placenta_Crossing_Structural_Similarity": 1.80044, "Placenta_Crossing_Weighted_Contribution": 2.35529, "Placenta_Crossing_Top_Rank": 0.0115071, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O", "InChI_key": "DMJNNHOOLUXYBV-PQTSNVLCSA-N" } }, "CID:444008": { "type": "Drug", "properties": { "id": "CID:444008", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID444008", "label": "tibolone", "FDA_Category_D_L1000_Similarity": 0.245323, "FDA_Category_D_Structural_Similarity": -0.133272, "FDA_Category_D_Weighted_Contribution": -0.103899, "FDA_Category_D_Top_Rank": -0.088228, "FDA_Category_X_L1000_Similarity": 1.26678, "FDA_Category_X_Structural_Similarity": 7.86585, "FDA_Category_X_Weighted_Contribution": 4.67034, "FDA_Category_X_Top_Rank": 2.75424, "FDA_Category_D_and_X_L1000_Similarity": 0.596172, "FDA_Category_D_and_X_Structural_Similarity": 4.1386, "FDA_Category_D_and_X_Weighted_Contribution": 3.71087, "FDA_Category_D_and_X_Top_Rank": 0.766932, "Placenta_Crossing_L1000_Similarity": -0.298963, "Placenta_Crossing_Structural_Similarity": 1.08374, "Placenta_Crossing_Weighted_Contribution": 0.791618, "Placenta_Crossing_Top_Rank": -0.0464107, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O", "InChI_key": "WZDGZWOAQTVYBX-XOINTXKNSA-N" } }, "CID:44488817": { "type": "Drug", "properties": { "id": "CID:44488817", "label": "sa-84512", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488817", "FDA_Category_D_L1000_Similarity": 1.33956, "FDA_Category_X_L1000_Similarity": 0.959836, "FDA_Category_D_and_X_L1000_Similarity": 1.44621, "Placenta_Crossing_L1000_Similarity": 0.832527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)OC1CN(C)CC5=CC6=C(C=C5)OCO6)C(C)CO", "InChI_key": "JVQYZDSRPVTFBX-VCEFOFBQSA-N" } }, "CID:44507332": { "type": "Drug", "properties": { "id": "CID:44507332", "label": "sa-247714", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44507332", "FDA_Category_D_L1000_Similarity": -0.507186, "FDA_Category_X_L1000_Similarity": -0.181271, "FDA_Category_D_and_X_L1000_Similarity": -0.492256, "Placenta_Crossing_L1000_Similarity": -1.15033, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)OC1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C(C)CO", "InChI_key": "ZBLCOVKAEUNWGN-BVXAZASISA-N" } }, "CID:44620034": { "type": "Drug", "properties": { "id": "CID:44620034", "label": "SA-427604", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44620034", "FDA_Category_D_L1000_Similarity": -0.307551, "FDA_Category_D_Structural_Similarity": -0.0981539, "FDA_Category_D_Weighted_Contribution": -0.357984, "FDA_Category_D_Top_Rank": -0.0874784, "FDA_Category_X_L1000_Similarity": -1.59384, "FDA_Category_X_Structural_Similarity": 0.272151, "FDA_Category_X_Weighted_Contribution": -0.582658, "FDA_Category_X_Top_Rank": -0.0708449, "FDA_Category_D_and_X_L1000_Similarity": -0.749135, "FDA_Category_D_and_X_Structural_Similarity": 0.0689458, "FDA_Category_D_and_X_Weighted_Contribution": -0.430568, "FDA_Category_D_and_X_Top_Rank": -0.0848928, "Placenta_Crossing_L1000_Similarity": -0.074818, "Placenta_Crossing_Structural_Similarity": -0.0297367, "Placenta_Crossing_Weighted_Contribution": -0.194803, "Placenta_Crossing_Top_Rank": -0.0828707, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:446378": { "type": "Drug", "properties": { "id": "CID:446378", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446378", "label": "thapsigargin", "FDA_Category_D_L1000_Similarity": -1.04881, "FDA_Category_D_Structural_Similarity": 0.879248, "FDA_Category_D_Weighted_Contribution": 0.137317, "FDA_Category_D_Top_Rank": -0.0569711, "FDA_Category_X_L1000_Similarity": -1.98145, "FDA_Category_X_Structural_Similarity": 1.0147, "FDA_Category_X_Weighted_Contribution": -0.100137, "FDA_Category_X_Top_Rank": -0.0401874, "FDA_Category_D_and_X_L1000_Similarity": -1.50581, "FDA_Category_D_and_X_Structural_Similarity": 1.2454, "FDA_Category_D_and_X_Weighted_Contribution": 0.242709, "FDA_Category_D_and_X_Top_Rank": -0.0359656, "Placenta_Crossing_L1000_Similarity": -1.66129, "Placenta_Crossing_Structural_Similarity": -0.720089, "Placenta_Crossing_Weighted_Contribution": -1.21365, "Placenta_Crossing_Top_Rank": -0.0913518, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O", "InChI_key": "IXFPJGBNCFXKPI-FSIHEZPISA-N" } }, "CID:449193": { "type": "Drug", "properties": { "id": "CID:449193", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID449193", "label": "roflumilast", "FDA_Category_D_L1000_Similarity": 1.61823, "FDA_Category_D_Structural_Similarity": -0.401123, "FDA_Category_D_Weighted_Contribution": 0.419793, "FDA_Category_D_Top_Rank": 0.0190464, "FDA_Category_X_L1000_Similarity": 0.644074, "FDA_Category_X_Structural_Similarity": 0.0644932, "FDA_Category_X_Weighted_Contribution": 0.262838, "FDA_Category_X_Top_Rank": -0.0781542, "FDA_Category_D_and_X_L1000_Similarity": 1.59053, "FDA_Category_D_and_X_Structural_Similarity": -0.283576, "FDA_Category_D_and_X_Weighted_Contribution": 0.448966, "FDA_Category_D_and_X_Top_Rank": -0.00876008, "Placenta_Crossing_L1000_Similarity": 2.05434, "Placenta_Crossing_Structural_Similarity": -0.645508, "Placenta_Crossing_Weighted_Contribution": 0.240102, "Placenta_Crossing_Top_Rank": 0.0586239, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F", "InChI_key": "MNDBXUUTURYVHR-UHFFFAOYSA-N" } }, "CID:4494": { "type": "Drug", "properties": { "id": "CID:4494", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4494", "label": "nilvadipine", "FDA_Category_D_L1000_Similarity": -0.192824, "FDA_Category_D_Structural_Similarity": 3.03513, "FDA_Category_D_Weighted_Contribution": 2.84972, "FDA_Category_D_Top_Rank": 0.236653, "FDA_Category_X_L1000_Similarity": 0.913561, "FDA_Category_X_Structural_Similarity": -0.499373, "FDA_Category_X_Weighted_Contribution": -0.161979, "FDA_Category_X_Top_Rank": -0.0740776, "FDA_Category_D_and_X_L1000_Similarity": 0.111217, "FDA_Category_D_and_X_Structural_Similarity": 2.13957, "FDA_Category_D_and_X_Weighted_Contribution": 2.11636, "FDA_Category_D_and_X_Top_Rank": 0.0538376, "Placenta_Crossing_L1000_Similarity": 0.38076, "Placenta_Crossing_Structural_Similarity": 1.87626, "Placenta_Crossing_Weighted_Contribution": 2.00266, "Placenta_Crossing_Top_Rank": 0.0199005, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C", "InChI_key": "FAIIFDPAEUKBEP-UHFFFAOYSA-N" } }, "CID:45006067": { "type": "Drug", "properties": { "id": "CID:45006067", "label": "parthenolide", "lsm": "LSM-4576", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45006067", "FDA_Category_D_L1000_Similarity": -0.309942, "FDA_Category_X_L1000_Similarity": -1.15597, "FDA_Category_D_and_X_L1000_Similarity": -0.618218, "Placenta_Crossing_L1000_Similarity": -0.857265, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C", "InChI_key": "KTEXNACQROZXEV-LKQBIRKESA-N" } }, "CID:4515": { "type": "Drug", "properties": { "id": "CID:4515", "label": "nnc-711", "lsm": "LSM-2939", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4515", "FDA_Category_D_L1000_Similarity": 1.19569, "FDA_Category_D_Structural_Similarity": 1.36095, "FDA_Category_D_Weighted_Contribution": 2.04419, "FDA_Category_D_Top_Rank": -0.0302589, "FDA_Category_X_L1000_Similarity": 1.33496, "FDA_Category_X_Structural_Similarity": 1.44526, "FDA_Category_X_Weighted_Contribution": 2.18049, "FDA_Category_X_Top_Rank": -0.0123501, "FDA_Category_D_and_X_L1000_Similarity": 1.43611, "FDA_Category_D_and_X_Structural_Similarity": 1.86006, "FDA_Category_D_and_X_Weighted_Contribution": 2.54905, "FDA_Category_D_and_X_Top_Rank": 0.0204372, "Placenta_Crossing_L1000_Similarity": 1.27828, "Placenta_Crossing_Structural_Similarity": 0.376239, "Placenta_Crossing_Weighted_Contribution": 0.890551, "Placenta_Crossing_Top_Rank": -0.0570863, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "NGNALWDRPKNJGR-UHFFFAOYSA-N" } }, "CID:453": { "type": "Drug", "properties": { "id": "CID:453", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID453", "label": "Mannitol", "FDA_Category_D_L1000_Similarity": 0.585236, "FDA_Category_X_L1000_Similarity": 1.37544, "FDA_Category_D_and_X_L1000_Similarity": 0.922177, "Placenta_Crossing_L1000_Similarity": 0.990831, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:460747": { "type": "Drug", "properties": { "id": "CID:460747", "label": "stk-397047", "lsm": "LSM-6669", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/460747", "FDA_Category_D_L1000_Similarity": -1.05362, "FDA_Category_D_Structural_Similarity": -0.889085, "FDA_Category_D_Weighted_Contribution": -1.185, "FDA_Category_D_Top_Rank": -0.0963663, "FDA_Category_X_L1000_Similarity": -1.5447, "FDA_Category_X_Structural_Similarity": -0.163508, "FDA_Category_X_Weighted_Contribution": -0.887664, "FDA_Category_X_Top_Rank": -0.0837413, "FDA_Category_D_and_X_L1000_Similarity": -1.37733, "FDA_Category_D_and_X_Structural_Similarity": -0.793907, "FDA_Category_D_and_X_Weighted_Contribution": -1.20537, "FDA_Category_D_and_X_Top_Rank": -0.0959262, "Placenta_Crossing_L1000_Similarity": -1.67007, "Placenta_Crossing_Structural_Similarity": -0.834613, "Placenta_Crossing_Weighted_Contribution": -1.26971, "Placenta_Crossing_Top_Rank": -0.0918929, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)C", "InChI_key": "CPXHNWKHOFNPDO-UHFFFAOYSA-N" } }, "CID:4687": { "type": "Drug", "properties": { "id": "CID:4687", "label": "paraxanthine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4687", "FDA_Category_D_L1000_Similarity": 0.314034, "FDA_Category_D_Structural_Similarity": 0.421702, "FDA_Category_D_Weighted_Contribution": 0.480938, "FDA_Category_D_Top_Rank": -0.0737739, "FDA_Category_X_L1000_Similarity": 0.326742, "FDA_Category_X_Structural_Similarity": -0.739978, "FDA_Category_X_Weighted_Contribution": -0.623223, "FDA_Category_X_Top_Rank": -0.0846561, "FDA_Category_D_and_X_L1000_Similarity": 0.369921, "FDA_Category_D_and_X_Structural_Similarity": -0.0645783, "FDA_Category_D_and_X_Weighted_Contribution": -0.00359475, "FDA_Category_D_and_X_Top_Rank": -0.0876122, "Placenta_Crossing_L1000_Similarity": 0.531469, "Placenta_Crossing_Structural_Similarity": 0.327665, "Placenta_Crossing_Weighted_Contribution": 0.441725, "Placenta_Crossing_Top_Rank": -0.0744092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:46931007": { "type": "Drug", "properties": { "id": "CID:46931007", "label": "daunorubicin", "lsm": "LSM-1731", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46931007", "FDA_Category_D_L1000_Similarity": 1.15363, "FDA_Category_D_Structural_Similarity": 3.59155, "FDA_Category_D_Weighted_Contribution": 3.71671, "FDA_Category_D_Top_Rank": 0.3919, "FDA_Category_X_L1000_Similarity": -2.31916, "FDA_Category_X_Structural_Similarity": 1.6044, "FDA_Category_X_Weighted_Contribution": 0.322494, "FDA_Category_X_Top_Rank": -0.00119003, "FDA_Category_D_and_X_L1000_Similarity": 0.290158, "FDA_Category_D_and_X_Structural_Similarity": 3.71639, "FDA_Category_D_and_X_Weighted_Contribution": 3.42295, "FDA_Category_D_and_X_Top_Rank": 0.542107, "Placenta_Crossing_L1000_Similarity": -1.24817, "Placenta_Crossing_Structural_Similarity": 1.67106, "Placenta_Crossing_Weighted_Contribution": 0.904639, "Placenta_Crossing_Top_Rank": -0.00544828, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)CC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)O)O)N)O", "InChI_key": "KNAGGICVJBKDDK-XUZKBGJLSA-N" } }, "CID:4723": { "type": "Drug", "properties": { "id": "CID:4723", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4723", "label": "pemoline", "FDA_Category_D_L1000_Similarity": 1.13169, "FDA_Category_D_Structural_Similarity": -0.943177, "FDA_Category_D_Weighted_Contribution": -0.359859, "FDA_Category_D_Top_Rank": -0.0552386, "FDA_Category_X_L1000_Similarity": -0.372001, "FDA_Category_X_Structural_Similarity": -0.755647, "FDA_Category_X_Weighted_Contribution": -0.891287, "FDA_Category_X_Top_Rank": -0.0895659, "FDA_Category_D_and_X_L1000_Similarity": 0.862572, "FDA_Category_D_and_X_Structural_Similarity": -1.15636, "FDA_Category_D_and_X_Weighted_Contribution": -0.674404, "FDA_Category_D_and_X_Top_Rank": -0.0755307, "Placenta_Crossing_L1000_Similarity": 1.47009, "Placenta_Crossing_Structural_Similarity": 0.594356, "Placenta_Crossing_Weighted_Contribution": 1.23069, "Placenta_Crossing_Top_Rank": -0.0428468, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2C(=O)N=C(O2)N", "InChI_key": "NRNCYVBFPDDJNE-UHFFFAOYSA-N" } }, "CID:4767": { "type": "Drug", "properties": { "id": "CID:4767", "label": "phenothrin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4767", "FDA_Category_D_L1000_Similarity": 0.36781, "FDA_Category_D_Structural_Similarity": -0.490661, "FDA_Category_D_Weighted_Contribution": -0.355477, "FDA_Category_D_Top_Rank": -0.0877117, "FDA_Category_X_L1000_Similarity": -0.269481, "FDA_Category_X_Structural_Similarity": 0.570856, "FDA_Category_X_Weighted_Contribution": 0.314227, "FDA_Category_X_Top_Rank": -0.0589181, "FDA_Category_D_and_X_L1000_Similarity": 0.235223, "FDA_Category_D_and_X_Structural_Similarity": -0.0814131, "FDA_Category_D_and_X_Weighted_Contribution": -0.0880169, "FDA_Category_D_and_X_Top_Rank": -0.0879845, "Placenta_Crossing_L1000_Similarity": -0.359554, "Placenta_Crossing_Structural_Similarity": -0.29054, "Placenta_Crossing_Weighted_Contribution": -0.530751, "Placenta_Crossing_Top_Rank": -0.0873427, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C", "InChI_key": "SBNFWQZLDJGRLK-UHFFFAOYSA-N" } }, "CID:4775": { "type": "Drug", "properties": { "id": "CID:4775", "label": "phenylbutyric acid", "lsm": "LSM-5751", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4775", "FDA_Category_D_L1000_Similarity": 0.877192, "FDA_Category_D_Structural_Similarity": 0.762948, "FDA_Category_D_Weighted_Contribution": 1.20267, "FDA_Category_D_Top_Rank": -0.0618493, "FDA_Category_X_L1000_Similarity": 0.345141, "FDA_Category_X_Structural_Similarity": 0.981992, "FDA_Category_X_Weighted_Contribution": 1.10708, "FDA_Category_X_Top_Rank": -0.0419779, "FDA_Category_D_and_X_L1000_Similarity": 0.860968, "FDA_Category_D_and_X_Structural_Similarity": 1.13544, "FDA_Category_D_and_X_Weighted_Contribution": 1.51659, "FDA_Category_D_and_X_Top_Rank": -0.0434186, "Placenta_Crossing_L1000_Similarity": 2.29976, "Placenta_Crossing_Structural_Similarity": 1.7144, "Placenta_Crossing_Weighted_Contribution": 2.75915, "Placenta_Crossing_Top_Rank": 0.155889, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCCC(=O)O", "InChI_key": "OBKXEAXTFZPCHS-UHFFFAOYSA-N" } }, "CID:5078": { "type": "Drug", "properties": { "id": "CID:5078", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5078", "label": "rizatriptan", "ref": "LSM-3691", "FDA_Category_D_L1000_Similarity": 1.90914, "FDA_Category_D_Structural_Similarity": 1.55809, "FDA_Category_D_Weighted_Contribution": 2.63758, "FDA_Category_D_Top_Rank": 0.12474, "FDA_Category_X_L1000_Similarity": 0.160197, "FDA_Category_X_Structural_Similarity": 4.32754, "FDA_Category_X_Weighted_Contribution": 3.94673, "FDA_Category_X_Top_Rank": 0.723128, "FDA_Category_D_and_X_L1000_Similarity": 1.69436, "FDA_Category_D_and_X_Structural_Similarity": 3.5718, "FDA_Category_D_and_X_Weighted_Contribution": 3.73094, "FDA_Category_D_and_X_Top_Rank": 0.433577, "Placenta_Crossing_L1000_Similarity": 2.63709, "Placenta_Crossing_Structural_Similarity": -0.519657, "Placenta_Crossing_Weighted_Contribution": 0.671033, "Placenta_Crossing_Top_Rank": 0.393926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3", "InChI_key": "ULFRLSNUDGIQQP-UHFFFAOYSA-N" } }, "CID:50910523": { "type": "Drug", "properties": { "id": "CID:50910523", "label": "arg-csc-91", "lsm": "LSM-6645", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/50910523", "FDA_Category_D_L1000_Similarity": 1.33487, "FDA_Category_D_Structural_Similarity": 0.106679, "FDA_Category_D_Weighted_Contribution": 0.780253, "FDA_Category_D_Top_Rank": -0.0336114, "FDA_Category_X_L1000_Similarity": 1.32768, "FDA_Category_X_Structural_Similarity": -0.397145, "FDA_Category_X_Weighted_Contribution": 0.140121, "FDA_Category_X_Top_Rank": -0.0578488, "FDA_Category_D_and_X_L1000_Similarity": 1.55387, "FDA_Category_D_and_X_Structural_Similarity": -0.129625, "FDA_Category_D_and_X_Weighted_Contribution": 0.585668, "FDA_Category_D_and_X_Top_Rank": -0.0147072, "Placenta_Crossing_L1000_Similarity": 2.12623, "Placenta_Crossing_Structural_Similarity": -0.422013, "Placenta_Crossing_Weighted_Contribution": 0.502672, "Placenta_Crossing_Top_Rank": 0.0821664, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC=C(C=C1)C=CC(=O)NC2=NCCS2", "InChI_key": "MTLJBAFNMHPGBV-BQYQJAHWSA-N" } }, "CID:51634": { "type": "Drug", "properties": { "id": "CID:51634", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID51634", "label": "miglustat", "FDA_Category_D_L1000_Similarity": 0.146324, "FDA_Category_D_Structural_Similarity": 0.754727, "FDA_Category_D_Weighted_Contribution": 0.728823, "FDA_Category_D_Top_Rank": -0.0621147, "FDA_Category_X_L1000_Similarity": 1.24494, "FDA_Category_X_Structural_Similarity": -0.386215, "FDA_Category_X_Weighted_Contribution": 0.109344, "FDA_Category_X_Top_Rank": -0.0620011, "FDA_Category_D_and_X_L1000_Similarity": 0.5042, "FDA_Category_D_and_X_Structural_Similarity": 0.390637, "FDA_Category_D_and_X_Weighted_Contribution": 0.515517, "FDA_Category_D_and_X_Top_Rank": -0.0770971, "Placenta_Crossing_L1000_Similarity": 1.52737, "Placenta_Crossing_Structural_Similarity": 0.108713, "Placenta_Crossing_Weighted_Contribution": 0.740098, "Placenta_Crossing_Top_Rank": -0.036934, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCN1CC(C(C(C1CO)O)O)O", "InChI_key": "UQRORFVVSGFNRO-UTINFBMNSA-N" } }, "CID:5186": { "type": "Drug", "properties": { "id": "CID:5186", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5186", "label": "scriptaid", "FDA_Category_D_L1000_Similarity": -1.44139, "FDA_Category_D_Structural_Similarity": 1.4685, "FDA_Category_D_Weighted_Contribution": 0.500555, "FDA_Category_D_Top_Rank": -0.0204482, "FDA_Category_X_L1000_Similarity": -0.724139, "FDA_Category_X_Structural_Similarity": -0.532251, "FDA_Category_X_Weighted_Contribution": -0.858844, "FDA_Category_X_Top_Rank": -0.0902465, "FDA_Category_D_and_X_L1000_Similarity": -1.46241, "FDA_Category_D_and_X_Structural_Similarity": 0.878369, "FDA_Category_D_and_X_Weighted_Contribution": -0.0806532, "FDA_Category_D_and_X_Top_Rank": -0.0594618, "Placenta_Crossing_L1000_Similarity": -1.25084, "Placenta_Crossing_Structural_Similarity": -0.675521, "Placenta_Crossing_Weighted_Contribution": -1.08315, "Placenta_Crossing_Top_Rank": -0.0910923, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO", "InChI_key": "JTDYUFSDZATMKU-UHFFFAOYSA-N" } }, "CID:5205": { "type": "Drug", "properties": { "id": "CID:5205", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5205", "label": "setiptiline", "FDA_Category_D_L1000_Similarity": -0.225798, "FDA_Category_D_Structural_Similarity": -0.220738, "FDA_Category_D_Weighted_Contribution": -0.42017, "FDA_Category_D_Top_Rank": -0.0899338, "FDA_Category_X_L1000_Similarity": 1.79096, "FDA_Category_X_Structural_Similarity": -0.71759, "FDA_Category_X_Weighted_Contribution": 0.0512275, "FDA_Category_X_Top_Rank": -0.0206547, "FDA_Category_D_and_X_L1000_Similarity": 0.349234, "FDA_Category_D_and_X_Structural_Similarity": -0.562412, "FDA_Category_D_and_X_Weighted_Contribution": -0.443073, "FDA_Category_D_and_X_Top_Rank": -0.0882483, "Placenta_Crossing_L1000_Similarity": 0.872405, "Placenta_Crossing_Structural_Similarity": 0.0101483, "Placenta_Crossing_Weighted_Contribution": 0.29571, "Placenta_Crossing_Top_Rank": -0.0743562, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24", "InChI_key": "GVPIXRLYKVFFMK-UHFFFAOYSA-N" } }, "CID:5225086": { "type": "Drug", "properties": { "id": "CID:5225086", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5225086", "label": "ingenol", "FDA_Category_D_L1000_Similarity": 0.0149615, "FDA_Category_D_Structural_Similarity": -0.0542567, "FDA_Category_D_Weighted_Contribution": -0.154756, "FDA_Category_D_Top_Rank": -0.0864387, "FDA_Category_X_L1000_Similarity": -0.63813, "FDA_Category_X_Structural_Similarity": -0.416694, "FDA_Category_X_Weighted_Contribution": -0.74507, "FDA_Category_X_Top_Rank": -0.0885036, "FDA_Category_D_and_X_L1000_Similarity": -0.180897, "FDA_Category_D_and_X_Structural_Similarity": -0.267911, "FDA_Category_D_and_X_Weighted_Contribution": -0.445202, "FDA_Category_D_and_X_Top_Rank": -0.0912528, "Placenta_Crossing_L1000_Similarity": -1.39626, "Placenta_Crossing_Structural_Similarity": 0.2346, "Placenta_Crossing_Weighted_Contribution": -0.531362, "Placenta_Crossing_Top_Rank": -0.0769153, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6", "InChI_key": "GIMKEHNOTHXONN-UHFFFAOYSA-N" } }, "CID:5281051": { "type": "Drug", "properties": { "id": "CID:5281051", "label": "hypericin", "lsm": "LSM-2650", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281051", "FDA_Category_D_L1000_Similarity": 0.366484, "FDA_Category_D_Structural_Similarity": -0.825514, "FDA_Category_D_Weighted_Contribution": -0.623083, "FDA_Category_D_Top_Rank": -0.0877448, "FDA_Category_X_L1000_Similarity": -1.19129, "FDA_Category_X_Structural_Similarity": -0.715525, "FDA_Category_X_Weighted_Contribution": -1.12377, "FDA_Category_X_Top_Rank": -0.0915358, "FDA_Category_D_and_X_L1000_Similarity": -0.0458513, "FDA_Category_D_and_X_Structural_Similarity": -1.04132, "FDA_Category_D_and_X_Weighted_Contribution": -0.934581, "FDA_Category_D_and_X_Top_Rank": -0.0925843, "Placenta_Crossing_L1000_Similarity": -0.2153, "Placenta_Crossing_Structural_Similarity": -1.01101, "Placenta_Crossing_Weighted_Contribution": -0.974461, "Placenta_Crossing_Top_Rank": -0.0896693, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)O)O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6O)O)O)C)O", "InChI_key": "BTXNYTINYBABQR-UHFFFAOYSA-N" } }, "CID:5281912": { "type": "Drug", "properties": { "id": "CID:5281912", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281912", "label": "prostaglandin-a1", "FDA_Category_D_L1000_Similarity": 0.822825, "FDA_Category_D_Structural_Similarity": 1.18703, "FDA_Category_D_Weighted_Contribution": 1.63012, "FDA_Category_D_Top_Rank": -0.04085, "FDA_Category_X_L1000_Similarity": 1.37642, "FDA_Category_X_Structural_Similarity": 0.135021, "FDA_Category_X_Weighted_Contribution": 0.73413, "FDA_Category_X_Top_Rank": -0.0545034, "FDA_Category_D_and_X_L1000_Similarity": 1.12728, "FDA_Category_D_and_X_Structural_Similarity": 1.01502, "FDA_Category_D_and_X_Weighted_Contribution": 1.54717, "FDA_Category_D_and_X_Top_Rank": -0.0523649, "Placenta_Crossing_L1000_Similarity": 2.29301, "Placenta_Crossing_Structural_Similarity": 0.531009, "Placenta_Crossing_Weighted_Contribution": 1.61148, "Placenta_Crossing_Top_Rank": 0.153524, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O", "InChI_key": "BGKHCLZFGPIKKU-LDDQNKHRSA-N" } }, "CID:5288382": { "type": "Drug", "properties": { "id": "CID:5288382", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5288382", "label": "geldanamycin", "FDA_Category_D_L1000_Similarity": -3.12701, "FDA_Category_D_Structural_Similarity": 0.106581, "FDA_Category_D_Weighted_Contribution": -1.29056, "FDA_Category_D_Top_Rank": -0.0824085, "FDA_Category_X_L1000_Similarity": -2.08208, "FDA_Category_X_Structural_Similarity": 0.728421, "FDA_Category_X_Weighted_Contribution": -0.406217, "FDA_Category_X_Top_Rank": -0.0527637, "FDA_Category_D_and_X_L1000_Similarity": -3.32782, "FDA_Category_D_and_X_Structural_Similarity": 0.477647, "FDA_Category_D_and_X_Weighted_Contribution": -1.11586, "FDA_Category_D_and_X_Top_Rank": -0.0745759, "Placenta_Crossing_L1000_Similarity": -2.62926, "Placenta_Crossing_Structural_Similarity": 0.00952356, "Placenta_Crossing_Weighted_Contribution": -1.09092, "Placenta_Crossing_Top_Rank": -0.082148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC", "InChI_key": "QTQAWLPCGQOSGP-KSRBKZBZSA-N" } }, "CID:5311346": { "type": "Drug", "properties": { "id": "CID:5311346", "label": "PD-128907", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311346", "FDA_Category_D_L1000_Similarity": 0.525837, "FDA_Category_D_Structural_Similarity": 1.59566, "FDA_Category_D_Weighted_Contribution": 1.88035, "FDA_Category_D_Top_Rank": -0.00629577, "FDA_Category_X_L1000_Similarity": 0.235627, "FDA_Category_X_Structural_Similarity": -0.546808, "FDA_Category_X_Weighted_Contribution": -0.503917, "FDA_Category_X_Top_Rank": -0.0856112, "FDA_Category_D_and_X_L1000_Similarity": 0.52484, "FDA_Category_D_and_X_Structural_Similarity": 0.971445, "FDA_Category_D_and_X_Weighted_Contribution": 1.14014, "FDA_Category_D_and_X_Top_Rank": -0.0548733, "Placenta_Crossing_L1000_Similarity": 0.434628, "Placenta_Crossing_Structural_Similarity": 1.18539, "Placenta_Crossing_Weighted_Contribution": 1.30175, "Placenta_Crossing_Top_Rank": -0.0402276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:53377408": { "type": "Drug", "properties": { "id": "CID:53377408", "label": "MW-STK33-97", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53377408", "FDA_Category_D_L1000_Similarity": -0.076832, "FDA_Category_D_Structural_Similarity": -0.894551, "FDA_Category_D_Weighted_Contribution": -0.85472, "FDA_Category_D_Top_Rank": -0.0928314, "FDA_Category_X_L1000_Similarity": 0.693516, "FDA_Category_X_Structural_Similarity": 0.271418, "FDA_Category_X_Weighted_Contribution": 0.508759, "FDA_Category_X_Top_Rank": -0.0708788, "FDA_Category_D_and_X_L1000_Similarity": 0.144366, "FDA_Category_D_and_X_Structural_Similarity": -0.563562, "FDA_Category_D_and_X_Weighted_Contribution": -0.533709, "FDA_Category_D_and_X_Top_Rank": -0.0908807, "Placenta_Crossing_L1000_Similarity": 0.156749, "Placenta_Crossing_Structural_Similarity": -1.08708, "Placenta_Crossing_Weighted_Contribution": -0.905449, "Placenta_Crossing_Top_Rank": -0.0870146, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5360515": { "type": "Drug", "properties": { "id": "CID:5360515", "label": "naltrexone", "lsm": "LSM-1721", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5360515", "IDG_ID": "1765", "FDA_Category_D_L1000_Similarity": 1.26732, "FDA_Category_D_Structural_Similarity": -0.246215, "FDA_Category_D_Weighted_Contribution": 0.367933, "FDA_Category_D_Top_Rank": -0.041847, "FDA_Category_X_L1000_Similarity": 0.704409, "FDA_Category_X_Structural_Similarity": 1.94431, "FDA_Category_X_Weighted_Contribution": 2.37269, "FDA_Category_X_Top_Rank": 0.0345372, "FDA_Category_D_and_X_L1000_Similarity": 1.30637, "FDA_Category_D_and_X_Structural_Similarity": 0.85372, "FDA_Category_D_and_X_Weighted_Contribution": 1.48258, "FDA_Category_D_and_X_Top_Rank": -0.0464175, "Placenta_Crossing_L1000_Similarity": 1.69424, "Placenta_Crossing_Structural_Similarity": 3.14703, "Placenta_Crossing_Weighted_Contribution": 3.52583, "Placenta_Crossing_Top_Rank": 0.233869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O", "InChI_key": "DQCKKXVULJGBQN-XFWGSAIBSA-N" } }, "CID:54614219": { "type": "Drug", "properties": { "id": "CID:54614219", "label": "SA-441092", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54614219", "FDA_Category_D_L1000_Similarity": 0.785835, "FDA_Category_D_Structural_Similarity": -0.235668, "FDA_Category_D_Weighted_Contribution": 0.0978993, "FDA_Category_D_Top_Rank": -0.0765589, "FDA_Category_X_L1000_Similarity": -0.322781, "FDA_Category_X_Structural_Similarity": -0.0350928, "FDA_Category_X_Weighted_Contribution": -0.303483, "FDA_Category_X_Top_Rank": -0.0806143, "FDA_Category_D_and_X_L1000_Similarity": 0.579372, "FDA_Category_D_and_X_Structural_Similarity": -0.205988, "FDA_Category_D_and_X_Weighted_Contribution": -0.0257253, "FDA_Category_D_and_X_Top_Rank": -0.0839862, "Placenta_Crossing_L1000_Similarity": 0.745967, "Placenta_Crossing_Structural_Similarity": -0.358496, "Placenta_Crossing_Weighted_Contribution": -0.116563, "Placenta_Crossing_Top_Rank": -0.0777532, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54656566": { "type": "Drug", "properties": { "id": "CID:54656566", "label": "SA-1473405", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54656566", "FDA_Category_D_L1000_Similarity": 1.06126, "FDA_Category_D_Structural_Similarity": -0.710183, "FDA_Category_D_Weighted_Contribution": -0.193564, "FDA_Category_D_Top_Rank": -0.0613689, "FDA_Category_X_L1000_Similarity": 1.02858, "FDA_Category_X_Structural_Similarity": -0.347969, "FDA_Category_X_Weighted_Contribution": 0.0394502, "FDA_Category_X_Top_Rank": -0.0706192, "FDA_Category_D_and_X_L1000_Similarity": 1.22718, "FDA_Category_D_and_X_Structural_Similarity": -0.751444, "FDA_Category_D_and_X_Weighted_Contribution": -0.189414, "FDA_Category_D_and_X_Top_Rank": -0.0529835, "Placenta_Crossing_L1000_Similarity": 1.99785, "Placenta_Crossing_Structural_Similarity": -0.467146, "Placenta_Crossing_Weighted_Contribution": 0.389899, "Placenta_Crossing_Top_Rank": 0.0430518, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658117": { "type": "Drug", "properties": { "id": "CID:54658117", "label": "SA-1457810", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658117", "FDA_Category_D_L1000_Similarity": 0.255506, "FDA_Category_D_Structural_Similarity": -0.635708, "FDA_Category_D_Weighted_Contribution": -0.527196, "FDA_Category_D_Top_Rank": -0.0894723, "FDA_Category_X_L1000_Similarity": 0.586517, "FDA_Category_X_Structural_Similarity": 0.375414, "FDA_Category_X_Weighted_Contribution": 0.563566, "FDA_Category_X_Top_Rank": -0.0668165, "FDA_Category_D_and_X_L1000_Similarity": 0.398361, "FDA_Category_D_and_X_Structural_Similarity": -0.301998, "FDA_Category_D_and_X_Weighted_Contribution": -0.202663, "FDA_Category_D_and_X_Top_Rank": -0.0874656, "Placenta_Crossing_L1000_Similarity": 0.802065, "Placenta_Crossing_Structural_Similarity": 0.798096, "Placenta_Crossing_Weighted_Contribution": 1.08458, "Placenta_Crossing_Top_Rank": -0.059566, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658498": { "type": "Drug", "properties": { "id": "CID:54658498", "label": "SA-1459167", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658498", "FDA_Category_D_L1000_Similarity": 0.683488, "FDA_Category_D_Structural_Similarity": -0.240936, "FDA_Category_D_Weighted_Contribution": 0.0353251, "FDA_Category_D_Top_Rank": -0.0801713, "FDA_Category_X_L1000_Similarity": 0.535204, "FDA_Category_X_Structural_Similarity": -0.0737833, "FDA_Category_X_Weighted_Contribution": 0.0665633, "FDA_Category_X_Top_Rank": -0.0815692, "FDA_Category_D_and_X_L1000_Similarity": 0.751715, "FDA_Category_D_and_X_Structural_Similarity": -0.231047, "FDA_Category_D_and_X_Weighted_Contribution": 0.0406405, "FDA_Category_D_and_X_Top_Rank": -0.079482, "Placenta_Crossing_L1000_Similarity": 1.17748, "Placenta_Crossing_Structural_Similarity": 0.43334, "Placenta_Crossing_Weighted_Contribution": 0.896945, "Placenta_Crossing_Top_Rank": -0.062889, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658651": { "type": "Drug", "properties": { "id": "CID:54658651", "label": "SA-1456170", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658651", "FDA_Category_D_L1000_Similarity": 1.12066, "FDA_Category_D_Structural_Similarity": -0.468782, "FDA_Category_D_Weighted_Contribution": 0.0622267, "FDA_Category_D_Top_Rank": -0.0564077, "FDA_Category_X_L1000_Similarity": -0.511447, "FDA_Category_X_Structural_Similarity": -0.368196, "FDA_Category_X_Weighted_Contribution": -0.660394, "FDA_Category_X_Top_Rank": -0.087682, "FDA_Category_D_and_X_L1000_Similarity": 0.810704, "FDA_Category_D_and_X_Structural_Similarity": -0.570756, "FDA_Category_D_and_X_Weighted_Contribution": -0.235279, "FDA_Category_D_and_X_Top_Rank": -0.0773295, "Placenta_Crossing_L1000_Similarity": 1.04946, "Placenta_Crossing_Structural_Similarity": -0.174629, "Placenta_Crossing_Weighted_Contribution": 0.201863, "Placenta_Crossing_Top_Rank": -0.0685745, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658765": { "type": "Drug", "properties": { "id": "CID:54658765", "label": "SA-1459849", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658765", "FDA_Category_D_L1000_Similarity": -0.395184, "FDA_Category_D_Structural_Similarity": -0.140477, "FDA_Category_D_Weighted_Contribution": -0.435685, "FDA_Category_D_Top_Rank": -0.0883583, "FDA_Category_X_L1000_Similarity": 1.12866, "FDA_Category_X_Structural_Similarity": -0.0349252, "FDA_Category_X_Weighted_Contribution": 0.413543, "FDA_Category_X_Top_Rank": -0.0670474, "FDA_Category_D_and_X_L1000_Similarity": 0.00209809, "FDA_Category_D_and_X_Structural_Similarity": -0.130344, "FDA_Category_D_and_X_Weighted_Contribution": -0.246354, "FDA_Category_D_and_X_Top_Rank": -0.0889249, "Placenta_Crossing_L1000_Similarity": 0.115071, "Placenta_Crossing_Structural_Similarity": 0.722529, "Placenta_Crossing_Weighted_Contribution": 0.631904, "Placenta_Crossing_Top_Rank": -0.0622275, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660187": { "type": "Drug", "properties": { "id": "CID:54660187", "label": "SA-1455822", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660187", "FDA_Category_D_L1000_Similarity": 0.966986, "FDA_Category_X_L1000_Similarity": 1.45909, "FDA_Category_D_and_X_L1000_Similarity": 1.27665, "Placenta_Crossing_L1000_Similarity": 1.14576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660558": { "type": "Drug", "properties": { "id": "CID:54660558", "label": "SA-1456625", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660558", "FDA_Category_D_L1000_Similarity": 1.64516, "FDA_Category_X_L1000_Similarity": -0.251863, "FDA_Category_D_and_X_L1000_Similarity": 1.34166, "Placenta_Crossing_L1000_Similarity": 0.798894, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:57363": { "type": "Drug", "properties": { "id": "CID:57363", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57363", "label": "finasteride", "FDA_Category_D_L1000_Similarity": 0.390636, "FDA_Category_D_Structural_Similarity": 0.088353, "FDA_Category_D_Weighted_Contribution": 0.188362, "FDA_Category_D_Top_Rank": -0.0828692, "FDA_Category_X_L1000_Similarity": 0.64569, "FDA_Category_X_Structural_Similarity": 5.29538, "FDA_Category_X_Weighted_Contribution": 4.35508, "FDA_Category_X_Top_Rank": 1.25684, "FDA_Category_D_and_X_L1000_Similarity": 0.532813, "FDA_Category_D_and_X_Structural_Similarity": 2.92749, "FDA_Category_D_and_X_Weighted_Contribution": 3.00244, "FDA_Category_D_and_X_Top_Rank": 0.186948, "Placenta_Crossing_L1000_Similarity": 1.8769, "Placenta_Crossing_Structural_Similarity": -0.299326, "Placenta_Crossing_Weighted_Contribution": 0.498757, "Placenta_Crossing_Top_Rank": 0.0168819, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C", "InChI_key": "DBEPLOCGEIEOCV-WSBQPABSSA-N" } }, "CID:5742673": { "type": "Drug", "properties": { "id": "CID:5742673", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5742673", "label": "cefotaxime", "ref": "LSM-5834", "FDA_Category_D_L1000_Similarity": 0.466217, "FDA_Category_D_Structural_Similarity": 0.909215, "FDA_Category_D_Weighted_Contribution": 1.09937, "FDA_Category_D_Top_Rank": -0.0549169, "FDA_Category_X_L1000_Similarity": 0.988791, "FDA_Category_X_Structural_Similarity": 0.605611, "FDA_Category_X_Weighted_Contribution": 1.04535, "FDA_Category_X_Top_Rank": -0.0574893, "FDA_Category_D_and_X_L1000_Similarity": 0.702169, "FDA_Category_D_and_X_Structural_Similarity": 1.04844, "FDA_Category_D_and_X_Weighted_Contribution": 1.32905, "FDA_Category_D_and_X_Top_Rank": -0.0498287, "Placenta_Crossing_L1000_Similarity": 1.44459, "Placenta_Crossing_Structural_Similarity": 6.60897, "Placenta_Crossing_Weighted_Contribution": 4.34203, "Placenta_Crossing_Top_Rank": 3.76937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O", "InChI_key": "GPRBEKHLDVQUJE-QSWIMTSFSA-N" } }, "CID:637213": { "type": "Drug", "properties": { "id": "CID:637213", "label": "rhapontin", "lsm": "LSM-2209", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/637213", "FDA_Category_D_L1000_Similarity": 0.559288, "FDA_Category_D_Structural_Similarity": 0.69273, "FDA_Category_D_Weighted_Contribution": 0.922785, "FDA_Category_D_Top_Rank": -0.0644103, "FDA_Category_X_L1000_Similarity": -0.759925, "FDA_Category_X_Structural_Similarity": 1.2056, "FDA_Category_X_Weighted_Contribution": 0.735846, "FDA_Category_X_Top_Rank": -0.0278553, "FDA_Category_D_and_X_L1000_Similarity": 0.251336, "FDA_Category_D_and_X_Structural_Similarity": 1.20037, "FDA_Category_D_and_X_Weighted_Contribution": 1.22114, "FDA_Category_D_and_X_Top_Rank": -0.0393864, "Placenta_Crossing_L1000_Similarity": 0.042629, "Placenta_Crossing_Structural_Similarity": 0.600259, "Placenta_Crossing_Weighted_Contribution": 0.466922, "Placenta_Crossing_Top_Rank": -0.0666607, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O", "InChI_key": "GKAJCVFOJGXVIA-DXKBKAGUSA-N" } }, "CID:6419755": { "type": "Drug", "properties": { "id": "CID:6419755", "label": "pkcbeta-inhibitor", "lsm": "LSM-4753", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6419755", "FDA_Category_D_L1000_Similarity": 1.50562, "FDA_Category_D_Structural_Similarity": 0.164299, "FDA_Category_D_Weighted_Contribution": 0.950743, "FDA_Category_D_Top_Rank": -0.00710543, "FDA_Category_X_L1000_Similarity": 0.895171, "FDA_Category_X_Structural_Similarity": -0.363732, "FDA_Category_X_Weighted_Contribution": -0.0414086, "FDA_Category_X_Top_Rank": -0.0745319, "FDA_Category_D_and_X_L1000_Similarity": 1.56972, "FDA_Category_D_and_X_Structural_Similarity": -0.0658617, "FDA_Category_D_and_X_Weighted_Contribution": 0.661102, "FDA_Category_D_and_X_Top_Rank": -0.0130457, "Placenta_Crossing_L1000_Similarity": 1.19168, "Placenta_Crossing_Structural_Similarity": -0.211447, "Placenta_Crossing_Weighted_Contribution": 0.236577, "Placenta_Crossing_Top_Rank": -0.0622275, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCN5C=CN=C5", "InChI_key": "KIWODJBCHRADND-UHFFFAOYSA-N" } }, "CID:6440033": { "type": "Drug", "properties": { "id": "CID:6440033", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6440033", "label": "temsirolimus", "FDA_Category_D_L1000_Similarity": -1.93826, "FDA_Category_D_Structural_Similarity": -0.523112, "FDA_Category_D_Weighted_Contribution": -1.25968, "FDA_Category_D_Top_Rank": -0.0943526, "FDA_Category_X_L1000_Similarity": -2.2349, "FDA_Category_X_Structural_Similarity": 1.43571, "FDA_Category_X_Weighted_Contribution": 0.191195, "FDA_Category_X_Top_Rank": -0.013021, "FDA_Category_D_and_X_L1000_Similarity": -2.3495, "FDA_Category_D_and_X_Structural_Similarity": 0.359505, "FDA_Category_D_and_X_Weighted_Contribution": -0.866546, "FDA_Category_D_and_X_Top_Rank": -0.0781002, "Placenta_Crossing_L1000_Similarity": -2.25112, "Placenta_Crossing_Structural_Similarity": 0.239954, "Placenta_Crossing_Weighted_Contribution": -0.837729, "Placenta_Crossing_Top_Rank": -0.0768303, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC", "InChI_key": "CBPNZQVSJQDFBE-WEDGMEQVSA-N" } }, "CID:6710662": { "type": "Drug", "properties": { "id": "CID:6710662", "label": "fluocinonide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6710662", "FDA_Category_D_L1000_Similarity": 0.892354, "FDA_Category_X_L1000_Similarity": -0.401465, "FDA_Category_D_and_X_L1000_Similarity": 0.647314, "Placenta_Crossing_L1000_Similarity": 0.774801, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C", "InChI_key": "WJOHZNCJWYWUJD-UUTDCOIBSA-N" } }, "CID:6918236": { "type": "Drug", "properties": { "id": "CID:6918236", "label": "perzinfotel", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918236", "FDA_Category_D_L1000_Similarity": -0.772267, "FDA_Category_D_Structural_Similarity": -0.611791, "FDA_Category_D_Weighted_Contribution": -0.934631, "FDA_Category_D_Top_Rank": -0.0951572, "FDA_Category_X_L1000_Similarity": 0.846773, "FDA_Category_X_Structural_Similarity": -0.465575, "FDA_Category_X_Weighted_Contribution": -0.161626, "FDA_Category_X_Top_Rank": -0.0757514, "FDA_Category_D_and_X_L1000_Similarity": -0.408558, "FDA_Category_D_and_X_Structural_Similarity": -0.736809, "FDA_Category_D_and_X_Weighted_Contribution": -0.871807, "FDA_Category_D_and_X_Top_Rank": -0.0947155, "Placenta_Crossing_L1000_Similarity": -0.274219, "Placenta_Crossing_Structural_Similarity": -0.672089, "Placenta_Crossing_Weighted_Contribution": -0.776972, "Placenta_Crossing_Top_Rank": -0.0899362, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNC2=C(C(=O)C2=O)N(C1)CCP(=O)(O)O", "InChI_key": "BDABGOLMYNHHTR-UHFFFAOYSA-N" } }, "CID:6918453": { "type": "Drug", "properties": { "id": "CID:6918453", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6918453", "label": "auranofin", "FDA_Category_D_L1000_Similarity": -0.646088, "FDA_Category_D_Structural_Similarity": 0.465169, "FDA_Category_D_Weighted_Contribution": -0.0330882, "FDA_Category_D_Top_Rank": -0.0722587, "FDA_Category_X_L1000_Similarity": 0.668055, "FDA_Category_X_Structural_Similarity": -0.5672, "FDA_Category_X_Weighted_Contribution": -0.335796, "FDA_Category_X_Top_Rank": -0.0798429, "FDA_Category_D_and_X_L1000_Similarity": -0.354054, "FDA_Category_D_and_X_Structural_Similarity": 0.0631523, "FDA_Category_D_and_X_Weighted_Contribution": -0.251634, "FDA_Category_D_and_X_Top_Rank": -0.0850097, "Placenta_Crossing_L1000_Similarity": -0.4224, "Placenta_Crossing_Structural_Similarity": 0.0598111, "Placenta_Crossing_Weighted_Contribution": -0.270382, "Placenta_Crossing_Top_Rank": -0.0809431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]", "InChI_key": "AUJRCFUBUPVWSZ-XTZHGVARSA-M" } }, "CID:6918852": { "type": "Drug", "properties": { "id": "CID:6918852", "label": "(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918852", "FDA_Category_D_L1000_Similarity": -1.40464, "FDA_Category_D_Structural_Similarity": 0.609532, "FDA_Category_D_Weighted_Contribution": -0.302444, "FDA_Category_D_Top_Rank": -0.0671969, "FDA_Category_X_L1000_Similarity": -3.13088, "FDA_Category_X_Structural_Similarity": -0.101984, "FDA_Category_X_Weighted_Contribution": -1.31325, "FDA_Category_X_Top_Rank": -0.0823754, "FDA_Category_D_and_X_L1000_Similarity": -2.1616, "FDA_Category_D_and_X_Structural_Similarity": 0.428764, "FDA_Category_D_and_X_Weighted_Contribution": -0.751347, "FDA_Category_D_and_X_Top_Rank": -0.0760481, "Placenta_Crossing_L1000_Similarity": -2.5374, "Placenta_Crossing_Structural_Similarity": 0.00726211, "Placenta_Crossing_Weighted_Contribution": -1.06654, "Placenta_Crossing_Top_Rank": -0.0821914, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C", "InChI_key": "JRNJNYBQQYBCLE-UHFFFAOYSA-N" } }, "CID:72303": { "type": "Drug", "properties": { "id": "CID:72303", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID72303", "label": "honokiol", "FDA_Category_D_L1000_Similarity": 0.322366, "FDA_Category_D_Structural_Similarity": -0.611698, "FDA_Category_D_Weighted_Contribution": -0.477026, "FDA_Category_D_Top_Rank": -0.0884902, "FDA_Category_X_L1000_Similarity": 1.35381, "FDA_Category_X_Structural_Similarity": -0.72731, "FDA_Category_X_Weighted_Contribution": -0.169129, "FDA_Category_X_Top_Rank": -0.0558213, "FDA_Category_D_and_X_L1000_Similarity": 0.689005, "FDA_Category_D_and_X_Structural_Similarity": -0.877967, "FDA_Category_D_and_X_Weighted_Contribution": -0.540664, "FDA_Category_D_and_X_Top_Rank": -0.0815542, "Placenta_Crossing_L1000_Similarity": 1.81098, "Placenta_Crossing_Structural_Similarity": -0.191802, "Placenta_Crossing_Weighted_Contribution": 0.575506, "Placenta_Crossing_Top_Rank": 0.00194754, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C", "InChI_key": "FVYXIJYOAGAUQK-UHFFFAOYSA-N" } }, "CID:72376": { "type": "Drug", "properties": { "id": "CID:72376", "label": "narciclasine", "lsm": "LSM-4934", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72376", "FDA_Category_D_L1000_Similarity": -0.312974, "FDA_Category_D_Structural_Similarity": -0.949655, "FDA_Category_D_Weighted_Contribution": -0.977052, "FDA_Category_D_Top_Rank": -0.094304, "FDA_Category_X_L1000_Similarity": -1.9339, "FDA_Category_X_Structural_Similarity": -0.748081, "FDA_Category_X_Weighted_Contribution": -1.33586, "FDA_Category_X_Top_Rank": -0.0920592, "FDA_Category_D_and_X_L1000_Similarity": -0.85708, "FDA_Category_D_and_X_Structural_Similarity": -1.15742, "FDA_Category_D_and_X_Weighted_Contribution": -1.23932, "FDA_Category_D_and_X_Top_Rank": -0.0960004, "Placenta_Crossing_L1000_Similarity": -1.14376, "Placenta_Crossing_Structural_Similarity": -0.616527, "Placenta_Crossing_Weighted_Contribution": -1.01941, "Placenta_Crossing_Top_Rank": -0.0906867, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O", "InChI_key": "LZAZURSABQIKGB-AEKGRLRDSA-N" } }, "CID:728578": { "type": "Drug", "properties": { "id": "CID:728578", "label": "ST-022313", "lsm": "LSM-4659", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/728578", "FDA_Category_D_L1000_Similarity": 0.253459, "FDA_Category_D_Structural_Similarity": 0.0943307, "FDA_Category_D_Weighted_Contribution": 0.11558, "FDA_Category_D_Top_Rank": -0.0827397, "FDA_Category_X_L1000_Similarity": 1.94632, "FDA_Category_X_Structural_Similarity": 1.22575, "FDA_Category_X_Weighted_Contribution": 2.27183, "FDA_Category_X_Top_Rank": 0.00276716, "FDA_Category_D_and_X_L1000_Similarity": 0.809542, "FDA_Category_D_and_X_Structural_Similarity": 0.736279, "FDA_Category_D_and_X_Weighted_Contribution": 1.05924, "FDA_Category_D_and_X_Top_Rank": -0.0660943, "Placenta_Crossing_L1000_Similarity": 1.65901, "Placenta_Crossing_Structural_Similarity": -0.682019, "Placenta_Crossing_Weighted_Contribution": 0.0119743, "Placenta_Crossing_Top_Rank": -0.0206392, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73214": { "type": "Drug", "properties": { "id": "CID:73214", "label": "eperezolid", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73214", "FDA_Category_D_L1000_Similarity": 1.71287, "FDA_Category_D_Structural_Similarity": -0.0220391, "FDA_Category_D_Weighted_Contribution": 0.88022, "FDA_Category_D_Top_Rank": 0.0464091, "FDA_Category_X_L1000_Similarity": 1.92687, "FDA_Category_X_Structural_Similarity": 0.147899, "FDA_Category_X_Weighted_Contribution": 1.05865, "FDA_Category_X_Top_Rank": -0.00119003, "FDA_Category_D_and_X_L1000_Similarity": 2.06167, "FDA_Category_D_and_X_Structural_Similarity": 0.0623129, "FDA_Category_D_and_X_Weighted_Contribution": 1.08914, "FDA_Category_D_and_X_Top_Rank": 0.123907, "Placenta_Crossing_L1000_Similarity": 0.847748, "Placenta_Crossing_Structural_Similarity": 0.270365, "Placenta_Crossing_Weighted_Contribution": 0.547977, "Placenta_Crossing_Top_Rank": -0.0750567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707405": { "type": "Drug", "properties": { "id": "CID:73707405", "label": "ct-200783", "lsm": "LSM-6206", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707405", "FDA_Category_D_L1000_Similarity": -1.91723, "FDA_Category_D_Structural_Similarity": 1.44922, "FDA_Category_D_Weighted_Contribution": 0.197668, "FDA_Category_D_Top_Rank": -0.0224804, "FDA_Category_X_L1000_Similarity": 0.101995, "FDA_Category_X_Structural_Similarity": 2.67267, "FDA_Category_X_Weighted_Contribution": 2.79036, "FDA_Category_X_Top_Rank": 0.140769, "FDA_Category_D_and_X_L1000_Similarity": -1.62171, "FDA_Category_D_and_X_Structural_Similarity": 2.59243, "FDA_Category_D_and_X_Weighted_Contribution": 1.58565, "FDA_Category_D_and_X_Top_Rank": 0.119509, "Placenta_Crossing_L1000_Similarity": -0.862757, "Placenta_Crossing_Structural_Similarity": -0.219805, "Placenta_Crossing_Weighted_Contribution": -0.669, "Placenta_Crossing_Top_Rank": -0.0862097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C=CC(=O)N3CCCCC3=O", "InChI_key": "MUVPSNBQKUTVPB-VOTSOKGWSA-N" } }, "CID:73707414": { "type": "Drug", "properties": { "id": "CID:73707414", "label": "nelfinavir", "lsm": "LSM-5819", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707414", "FDA_Category_D_L1000_Similarity": -0.337663, "FDA_Category_D_Structural_Similarity": 1.20302, "FDA_Category_D_Weighted_Contribution": 0.906557, "FDA_Category_D_Top_Rank": -0.03982, "FDA_Category_X_L1000_Similarity": -0.829042, "FDA_Category_X_Structural_Similarity": -0.119617, "FDA_Category_X_Weighted_Contribution": -0.589911, "FDA_Category_X_Top_Rank": -0.0827729, "FDA_Category_D_and_X_L1000_Similarity": -0.542841, "FDA_Category_D_and_X_Structural_Similarity": 0.890306, "FDA_Category_D_and_X_Weighted_Contribution": 0.426659, "FDA_Category_D_and_X_Top_Rank": -0.0587388, "Placenta_Crossing_L1000_Similarity": -0.095359, "Placenta_Crossing_Structural_Similarity": 1.96445, "Placenta_Crossing_Weighted_Contribution": 1.845, "Placenta_Crossing_Top_Rank": 0.0278924, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O", "InChI_key": "QAGYKUNXZHXKMR-BBDMRMKHSA-N" } }, "CID:73707542": { "type": "Drug", "properties": { "id": "CID:73707542", "label": "BG-1024", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707542", "FDA_Category_D_L1000_Similarity": -1.40168, "FDA_Category_D_Structural_Similarity": -0.572998, "FDA_Category_D_Weighted_Contribution": -1.12621, "FDA_Category_D_Top_Rank": -0.0948009, "FDA_Category_X_L1000_Similarity": -0.613427, "FDA_Category_X_Structural_Similarity": -0.665501, "FDA_Category_X_Weighted_Contribution": -0.912029, "FDA_Category_X_Top_Rank": -0.0903999, "FDA_Category_D_and_X_L1000_Similarity": -1.39455, "FDA_Category_D_and_X_Structural_Similarity": -0.813898, "FDA_Category_D_and_X_Weighted_Contribution": -1.21952, "FDA_Category_D_and_X_Top_Rank": -0.0960185, "Placenta_Crossing_L1000_Similarity": -1.93577, "Placenta_Crossing_Structural_Similarity": -0.160896, "Placenta_Crossing_Weighted_Contribution": -0.987947, "Placenta_Crossing_Top_Rank": -0.0853565, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:77918": { "type": "Drug", "properties": { "id": "CID:77918", "label": "1-benzylimidazole", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/77918", "FDA_Category_D_L1000_Similarity": -0.705356, "FDA_Category_D_Structural_Similarity": 1.3251, "FDA_Category_D_Weighted_Contribution": 0.805758, "FDA_Category_D_Top_Rank": -0.0324998, "FDA_Category_X_L1000_Similarity": 1.07843, "FDA_Category_X_Structural_Similarity": 0.861693, "FDA_Category_X_Weighted_Contribution": 1.38842, "FDA_Category_X_Top_Rank": -0.047029, "FDA_Category_D_and_X_L1000_Similarity": -0.280525, "FDA_Category_D_and_X_Structural_Similarity": 1.51672, "FDA_Category_D_and_X_Weighted_Contribution": 1.24065, "FDA_Category_D_and_X_Top_Rank": -0.0131865, "Placenta_Crossing_L1000_Similarity": -0.574791, "Placenta_Crossing_Structural_Similarity": -0.558537, "Placenta_Crossing_Weighted_Contribution": -0.803283, "Placenta_Crossing_Top_Rank": -0.0902213, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CN2C=CN=C2", "InChI_key": "KKKDZZRICRFGSD-UHFFFAOYSA-N" } }, "CID:8609": { "type": "Drug", "properties": { "id": "CID:8609", "label": "phenyl aminosalicylate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8609", "FDA_Category_D_L1000_Similarity": -0.759377, "FDA_Category_D_Structural_Similarity": -0.885328, "FDA_Category_D_Weighted_Contribution": -1.09138, "FDA_Category_D_Top_Rank": -0.0958775, "FDA_Category_X_L1000_Similarity": 0.669889, "FDA_Category_X_Structural_Similarity": -0.738796, "FDA_Category_X_Weighted_Contribution": -0.482815, "FDA_Category_X_Top_Rank": -0.0797943, "FDA_Category_D_and_X_L1000_Similarity": -0.451166, "FDA_Category_D_and_X_Structural_Similarity": -1.10135, "FDA_Category_D_and_X_Weighted_Contribution": -1.09813, "FDA_Category_D_and_X_Top_Rank": -0.0948801, "Placenta_Crossing_L1000_Similarity": -0.253216, "Placenta_Crossing_Structural_Similarity": 0.0472614, "Placenta_Crossing_Weighted_Contribution": -0.20669, "Placenta_Crossing_Top_Rank": -0.0812609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O", "InChI_key": "DNVVZWSVACQWJE-UHFFFAOYSA-N" } }, "CID:9064": { "type": "Drug", "properties": { "id": "CID:9064", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9064", "label": "cianidanol", "FDA_Category_D_L1000_Similarity": 1.56776, "FDA_Category_X_L1000_Similarity": 0.790232, "FDA_Category_D_and_X_L1000_Similarity": 1.59142, "Placenta_Crossing_L1000_Similarity": 0.719514, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O", "InChI_key": "PFTAWBLQPZVEMU-DZGCQCFKSA-N" } }, "CID:92095": { "type": "Drug", "properties": { "id": "CID:92095", "label": "PYM-50028", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/92095", "FDA_Category_D_L1000_Similarity": -0.251274, "FDA_Category_D_Structural_Similarity": -0.789833, "FDA_Category_D_Weighted_Contribution": -0.853027, "FDA_Category_D_Top_Rank": -0.0939629, "FDA_Category_X_L1000_Similarity": -0.824195, "FDA_Category_X_Structural_Similarity": -0.29099, "FDA_Category_X_Weighted_Contribution": -0.720779, "FDA_Category_X_Top_Rank": -0.0863445, "FDA_Category_D_and_X_L1000_Similarity": -0.466898, "FDA_Category_D_and_X_Structural_Similarity": -0.783918, "FDA_Category_D_and_X_Weighted_Contribution": -0.921549, "FDA_Category_D_and_X_Top_Rank": -0.0949446, "Placenta_Crossing_L1000_Similarity": 1.41365, "Placenta_Crossing_Structural_Similarity": -0.522785, "Placenta_Crossing_Weighted_Contribution": 0.0446631, "Placenta_Crossing_Top_Rank": -0.0472914, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:936": { "type": "Drug", "properties": { "id": "CID:936", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID936", "label": "nicotinamide", "FDA_Category_D_L1000_Similarity": 0.761654, "FDA_Category_X_L1000_Similarity": -1.03258, "FDA_Category_D_and_X_L1000_Similarity": 0.342983, "Placenta_Crossing_L1000_Similarity": 0.367464, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CN=C1)C(=O)N", "InChI_key": "DFPAKSUCGFBDDF-UHFFFAOYSA-N" } }, "CID:9616928": { "type": "Drug", "properties": { "id": "CID:9616928", "label": "MW-MITF24", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9616928", "FDA_Category_D_L1000_Similarity": -0.353926, "FDA_Category_X_L1000_Similarity": 0.278697, "FDA_Category_D_and_X_L1000_Similarity": -0.220462, "Placenta_Crossing_L1000_Similarity": 0.190871, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9865515": { "type": "Drug", "properties": { "id": "CID:9865515", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9865515", "label": "mocetinostat", "FDA_Category_D_L1000_Similarity": -1.55138, "FDA_Category_D_Structural_Similarity": -0.516165, "FDA_Category_D_Weighted_Contribution": -1.14267, "FDA_Category_D_Top_Rank": -0.0942808, "FDA_Category_X_L1000_Similarity": -0.755391, "FDA_Category_X_Structural_Similarity": -0.592699, "FDA_Category_X_Weighted_Contribution": -0.910844, "FDA_Category_X_Top_Rank": -0.0907711, "FDA_Category_D_and_X_L1000_Similarity": -1.56671, "FDA_Category_D_and_X_Structural_Similarity": -0.729505, "FDA_Category_D_and_X_Weighted_Contribution": -1.22524, "FDA_Category_D_and_X_Top_Rank": -0.0955881, "Placenta_Crossing_L1000_Similarity": -1.6908, "Placenta_Crossing_Structural_Similarity": -0.445837, "Placenta_Crossing_Weighted_Contribution": -1.07959, "Placenta_Crossing_Top_Rank": -0.0891964, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4", "InChI_key": "HRNLUBSXIHFDHP-UHFFFAOYSA-N" } }, "CID:10184653": { "type": "Drug", "properties": { "id": "CID:10184653", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10184653", "label": "afatinib", "FDA_Category_D_L1000_Similarity": -1.21259, "FDA_Category_D_Structural_Similarity": 0.647215, "FDA_Category_D_Weighted_Contribution": -0.1704, "FDA_Category_D_Top_Rank": -0.0658677, "FDA_Category_X_L1000_Similarity": -0.349168, "FDA_Category_X_Structural_Similarity": 5.23184, "FDA_Category_X_Weighted_Contribution": 4.19947, "FDA_Category_X_Top_Rank": 1.13367, "FDA_Category_D_and_X_L1000_Similarity": -1.15131, "FDA_Category_D_and_X_Structural_Similarity": 3.33678, "FDA_Category_D_and_X_Weighted_Contribution": 2.57213, "FDA_Category_D_and_X_Top_Rank": 0.307088, "Placenta_Crossing_L1000_Similarity": -0.890884, "Placenta_Crossing_Structural_Similarity": 1.07182, "Placenta_Crossing_Weighted_Contribution": 0.464847, "Placenta_Crossing_Top_Rank": -0.0469525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4", "InChI_key": "ULXXDDBFHOBEHA-CWDCEQMOSA-N" } }, "CID:10288191": { "type": "Drug", "properties": { "id": "CID:10288191", "label": "binimetinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10288191", "FDA_Category_D_L1000_Similarity": -2.20472, "FDA_Category_D_Structural_Similarity": -0.0927278, "FDA_Category_D_Weighted_Contribution": -1.12081, "FDA_Category_D_Top_Rank": -0.0873667, "FDA_Category_X_L1000_Similarity": -1.98978, "FDA_Category_X_Structural_Similarity": -0.38125, "FDA_Category_X_Weighted_Contribution": -1.1609, "FDA_Category_X_Top_Rank": -0.0879024, "FDA_Category_D_and_X_L1000_Similarity": -2.50476, "FDA_Category_D_and_X_Structural_Similarity": -0.27932, "FDA_Category_D_and_X_Weighted_Contribution": -1.26021, "FDA_Category_D_and_X_Top_Rank": -0.0914211, "Placenta_Crossing_L1000_Similarity": -3.70776, "Placenta_Crossing_Structural_Similarity": 0.117079, "Placenta_Crossing_Weighted_Contribution": -1.30645, "Placenta_Crossing_Top_Rank": -0.0796189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO", "InChI_key": "ACWZRVQXLIRSDF-UHFFFAOYSA-N" } }, "CID:11360391": { "type": "Drug", "properties": { "id": "CID:11360391", "label": "A-769662", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11360391", "FDA_Category_D_L1000_Similarity": 2.15808, "FDA_Category_D_Structural_Similarity": -0.671705, "FDA_Category_D_Weighted_Contribution": 0.466856, "FDA_Category_D_Top_Rank": 0.335217, "FDA_Category_X_L1000_Similarity": 2.29101, "FDA_Category_X_Structural_Similarity": -0.663871, "FDA_Category_X_Weighted_Contribution": 0.363281, "FDA_Category_X_Top_Rank": 0.0757306, "FDA_Category_D_and_X_L1000_Similarity": 2.55603, "FDA_Category_D_and_X_Structural_Similarity": -0.891363, "FDA_Category_D_and_X_Weighted_Contribution": 0.38176, "FDA_Category_D_and_X_Top_Rank": 0.580508, "Placenta_Crossing_L1000_Similarity": 1.71413, "Placenta_Crossing_Structural_Similarity": 0.900495, "Placenta_Crossing_Weighted_Contribution": 1.69191, "Placenta_Crossing_Top_Rank": -0.0137202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11552706": { "type": "Drug", "properties": { "id": "CID:11552706", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11552706", "label": "losmapimod", "FDA_Category_D_L1000_Similarity": 1.08149, "FDA_Category_D_Structural_Similarity": 1.70441, "FDA_Category_D_Weighted_Contribution": 2.32123, "FDA_Category_D_Top_Rank": 0.00645551, "FDA_Category_X_L1000_Similarity": 0.507656, "FDA_Category_X_Structural_Similarity": 0.757093, "FDA_Category_X_Weighted_Contribution": 0.944201, "FDA_Category_X_Top_Rank": -0.0515243, "FDA_Category_D_and_X_L1000_Similarity": 1.08643, "FDA_Category_D_and_X_Structural_Similarity": 1.76134, "FDA_Category_D_and_X_Weighted_Contribution": 2.27913, "FDA_Category_D_and_X_Top_Rank": 0.0111087, "Placenta_Crossing_L1000_Similarity": 1.64111, "Placenta_Crossing_Structural_Similarity": 0.708468, "Placenta_Crossing_Weighted_Contribution": 1.44745, "Placenta_Crossing_Top_Rank": -0.0233292, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C", "InChI_key": "KKYABQBFGDZVNQ-UHFFFAOYSA-N" } }, "CID:11552757": { "type": "Drug", "properties": { "id": "CID:11552757", "label": "LY-2365109", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11552757", "FDA_Category_D_L1000_Similarity": -0.209914, "FDA_Category_D_Structural_Similarity": 1.02341, "FDA_Category_D_Weighted_Contribution": 0.793303, "FDA_Category_D_Top_Rank": -0.0493641, "FDA_Category_X_L1000_Similarity": 0.777624, "FDA_Category_X_Structural_Similarity": 4.37481, "FDA_Category_X_Weighted_Contribution": 4.09625, "FDA_Category_X_Top_Rank": 0.776101, "FDA_Category_D_and_X_L1000_Similarity": 0.0551996, "FDA_Category_D_and_X_Structural_Similarity": 3.17292, "FDA_Category_D_and_X_Weighted_Contribution": 2.98603, "FDA_Category_D_and_X_Top_Rank": 0.265023, "Placenta_Crossing_L1000_Similarity": 1.60646, "Placenta_Crossing_Structural_Similarity": -0.286696, "Placenta_Crossing_Weighted_Contribution": 0.37157, "Placenta_Crossing_Top_Rank": -0.0279129, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11667893": { "type": "Drug", "properties": { "id": "CID:11667893", "label": "motesanib", "lsm": "LSM-1042", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11667893", "FDA_Category_D_L1000_Similarity": 2.03105, "FDA_Category_D_Structural_Similarity": 0.401066, "FDA_Category_D_Weighted_Contribution": 1.54526, "FDA_Category_D_Top_Rank": 0.219473, "FDA_Category_X_L1000_Similarity": 0.797466, "FDA_Category_X_Structural_Similarity": -0.370593, "FDA_Category_X_Weighted_Contribution": -0.0950803, "FDA_Category_X_Top_Rank": -0.0769566, "FDA_Category_D_and_X_L1000_Similarity": 1.99297, "FDA_Category_D_and_X_Structural_Similarity": 0.118361, "FDA_Category_D_and_X_Weighted_Contribution": 1.10791, "FDA_Category_D_and_X_Top_Rank": 0.0929239, "Placenta_Crossing_L1000_Similarity": 1.3887, "Placenta_Crossing_Structural_Similarity": -0.687926, "Placenta_Crossing_Weighted_Contribution": -0.119605, "Placenta_Crossing_Top_Rank": -0.0495003, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C", "InChI_key": "RAHBGWKEPAQNFF-UHFFFAOYSA-N" } }, "CID:11676786": { "type": "Drug", "properties": { "id": "CID:11676786", "label": "az-628", "lsm": "LSM-1050", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11676786", "FDA_Category_D_L1000_Similarity": 0.0665289, "FDA_Category_D_Structural_Similarity": -0.087309, "FDA_Category_D_Weighted_Contribution": -0.157334, "FDA_Category_D_Top_Rank": -0.0872468, "FDA_Category_X_L1000_Similarity": -1.22103, "FDA_Category_X_Structural_Similarity": 0.738682, "FDA_Category_X_Weighted_Contribution": 0.000963975, "FDA_Category_X_Top_Rank": -0.0523067, "FDA_Category_D_and_X_L1000_Similarity": -0.313461, "FDA_Category_D_and_X_Structural_Similarity": 0.329292, "FDA_Category_D_and_X_Weighted_Contribution": 0.0063968, "FDA_Category_D_and_X_Top_Rank": -0.0787029, "Placenta_Crossing_L1000_Similarity": -0.899655, "Placenta_Crossing_Structural_Similarity": -0.360398, "Placenta_Crossing_Weighted_Contribution": -0.78078, "Placenta_Crossing_Top_Rank": -0.0882408, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C", "InChI_key": "ZGBGPEDJXCYQPH-UHFFFAOYSA-N" } }, "CID:123618": { "type": "Drug", "properties": { "id": "CID:123618", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123618", "label": "tecastemizole", "FDA_Category_D_L1000_Similarity": 1.65519, "FDA_Category_D_Structural_Similarity": 1.94685, "FDA_Category_D_Weighted_Contribution": 2.84464, "FDA_Category_D_Top_Rank": 0.0404275, "FDA_Category_X_L1000_Similarity": 1.21194, "FDA_Category_X_Structural_Similarity": 1.15257, "FDA_Category_X_Weighted_Contribution": 1.79315, "FDA_Category_X_Top_Rank": -0.0323536, "FDA_Category_D_and_X_L1000_Similarity": 1.79484, "FDA_Category_D_and_X_Structural_Similarity": 2.16716, "FDA_Category_D_and_X_Weighted_Contribution": 2.96331, "FDA_Category_D_and_X_Top_Rank": 0.0568966, "Placenta_Crossing_L1000_Similarity": 1.34047, "Placenta_Crossing_Structural_Similarity": -0.0377379, "Placenta_Crossing_Weighted_Contribution": 0.487892, "Placenta_Crossing_Top_Rank": -0.0530141, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F", "InChI_key": "SFOVDSLXFUGAIV-UHFFFAOYSA-N" } }, "CID:127894": { "type": "Drug", "properties": { "id": "CID:127894", "label": "tezampanel", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/127894", "FDA_Category_D_L1000_Similarity": 0.75766, "FDA_Category_D_Structural_Similarity": 1.77321, "FDA_Category_D_Weighted_Contribution": 2.20203, "FDA_Category_D_Top_Rank": 0.0162523, "FDA_Category_X_L1000_Similarity": -1.20396, "FDA_Category_X_Structural_Similarity": -0.60389, "FDA_Category_X_Weighted_Contribution": -1.06146, "FDA_Category_X_Top_Rank": -0.0911101, "FDA_Category_D_and_X_L1000_Similarity": 0.287487, "FDA_Category_D_and_X_Structural_Similarity": 1.08157, "FDA_Category_D_and_X_Weighted_Contribution": 1.11559, "FDA_Category_D_and_X_Top_Rank": -0.0476734, "Placenta_Crossing_L1000_Similarity": 0.794138, "Placenta_Crossing_Structural_Similarity": -0.271723, "Placenta_Crossing_Weighted_Contribution": -0.01459, "Placenta_Crossing_Top_Rank": -0.0765449, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2CNC(CC2CC1CCC3=NNN=N3)C(=O)O", "InChI_key": "ZXFRFPSZAKNPQQ-YTWAJWBKSA-N" } }, "CID:13109": { "type": "Drug", "properties": { "id": "CID:13109", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID13109", "label": "levonorgestrel", "FDA_Category_D_L1000_Similarity": 2.1662, "FDA_Category_X_L1000_Similarity": 0.743113, "FDA_Category_D_and_X_L1000_Similarity": 2.09296, "Placenta_Crossing_L1000_Similarity": 2.75185, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34", "InChI_key": "WWYNJERNGUHSAO-XUDSTZEESA-N" } }, "CID:131414": { "type": "Drug", "properties": { "id": "CID:131414", "label": "ncs-382", "lsm": "LSM-1727", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/131414", "FDA_Category_D_L1000_Similarity": 1.59489, "FDA_Category_D_Structural_Similarity": -0.230559, "FDA_Category_D_Weighted_Contribution": 0.583276, "FDA_Category_D_Top_Rank": 0.0124089, "FDA_Category_X_L1000_Similarity": 2.20526, "FDA_Category_X_Structural_Similarity": -0.306334, "FDA_Category_X_Weighted_Contribution": 0.704614, "FDA_Category_X_Top_Rank": 0.0521547, "FDA_Category_D_and_X_L1000_Similarity": 2.04452, "FDA_Category_D_and_X_Structural_Similarity": -0.348294, "FDA_Category_D_and_X_Weighted_Contribution": 0.644152, "FDA_Category_D_and_X_Top_Rank": 0.118649, "Placenta_Crossing_L1000_Similarity": 2.07332, "Placenta_Crossing_Structural_Similarity": -0.534608, "Placenta_Crossing_Weighted_Contribution": 0.360392, "Placenta_Crossing_Top_Rank": 0.065758, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=CC=CC=C2C(C(=CC(=O)O)C1)O", "InChI_key": "UADPGHINQMWEAG-UHFFFAOYSA-N" } }, "CID:13782419": { "type": "Drug", "properties": { "id": "CID:13782419", "label": "psb-069", "lsm": "LSM-3789", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13782419", "FDA_Category_D_L1000_Similarity": 1.99154, "FDA_Category_D_Structural_Similarity": 0.558333, "FDA_Category_D_Weighted_Contribution": 1.69002, "FDA_Category_D_Top_Rank": 0.191349, "FDA_Category_X_L1000_Similarity": -0.136712, "FDA_Category_X_Structural_Similarity": 0.336644, "FDA_Category_X_Weighted_Contribution": 0.141133, "FDA_Category_X_Top_Rank": -0.0682181, "FDA_Category_D_and_X_L1000_Similarity": 1.67522, "FDA_Category_D_and_X_Structural_Similarity": 0.624808, "FDA_Category_D_and_X_Weighted_Contribution": 1.45903, "FDA_Category_D_and_X_Top_Rank": 0.00488614, "Placenta_Crossing_L1000_Similarity": 2.15934, "Placenta_Crossing_Structural_Similarity": -0.38432, "Placenta_Crossing_Weighted_Contribution": 0.559083, "Placenta_Crossing_Top_Rank": 0.091666, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)O)N", "InChI_key": "MHSMKEQLFFWYOS-UHFFFAOYSA-N" } }, "CID:149096": { "type": "Drug", "properties": { "id": "CID:149096", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID149096", "label": "levofloxacin", "FDA_Category_D_L1000_Similarity": 1.18282, "FDA_Category_D_Structural_Similarity": -0.604536, "FDA_Category_D_Weighted_Contribution": -0.0318957, "FDA_Category_D_Top_Rank": -0.0506899, "FDA_Category_X_L1000_Similarity": 3.71482, "FDA_Category_X_Structural_Similarity": -0.712043, "FDA_Category_X_Weighted_Contribution": 1.09817, "FDA_Category_X_Top_Rank": 3.0898, "FDA_Category_D_and_X_L1000_Similarity": 2.14772, "FDA_Category_D_and_X_Structural_Similarity": -0.864044, "FDA_Category_D_and_X_Weighted_Contribution": 0.182964, "FDA_Category_D_and_X_Top_Rank": 0.177046, "Placenta_Crossing_L1000_Similarity": 1.33249, "Placenta_Crossing_Structural_Similarity": -0.989143, "Placenta_Crossing_Weighted_Contribution": -0.403514, "Placenta_Crossing_Top_Rank": -0.0535388, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O", "InChI_key": "GSDSWSVVBLHKDQ-JTQLQIEISA-N" } }, "CID:15330": { "type": "Drug", "properties": { "id": "CID:15330", "label": "levopropoxyphene", "lsm": "LSM-5079", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/15330", "FDA_Category_D_L1000_Similarity": 0.414661, "FDA_Category_D_Structural_Similarity": -0.763949, "FDA_Category_D_Weighted_Contribution": -0.554554, "FDA_Category_D_Top_Rank": -0.0869354, "FDA_Category_X_L1000_Similarity": 0.381267, "FDA_Category_X_Structural_Similarity": -0.720678, "FDA_Category_X_Weighted_Contribution": -0.586244, "FDA_Category_X_Top_Rank": -0.0839942, "FDA_Category_D_and_X_L1000_Similarity": 0.473224, "FDA_Category_D_and_X_Structural_Similarity": -0.995231, "FDA_Category_D_and_X_Weighted_Contribution": -0.714733, "FDA_Category_D_and_X_Top_Rank": -0.0861801, "Placenta_Crossing_L1000_Similarity": 0.959605, "Placenta_Crossing_Structural_Similarity": -0.980425, "Placenta_Crossing_Weighted_Contribution": -0.5467, "Placenta_Crossing_Top_Rank": -0.07177, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16218996": { "type": "Drug", "properties": { "id": "CID:16218996", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16218996", "label": "beclometasone", "FDA_Category_D_L1000_Similarity": -0.580756, "FDA_Category_X_L1000_Similarity": 0.337807, "FDA_Category_D_and_X_L1000_Similarity": -0.398032, "Placenta_Crossing_L1000_Similarity": 0.560958, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C", "InChI_key": "NBMKJKDGKREAPL-WOOYFSPWSA-N" } }, "CID:16773791": { "type": "Drug", "properties": { "id": "CID:16773791", "label": "BG-1032", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16773791", "FDA_Category_D_L1000_Similarity": -0.771727, "FDA_Category_D_Structural_Similarity": 0.197311, "FDA_Category_D_Weighted_Contribution": -0.337984, "FDA_Category_D_Top_Rank": -0.0799862, "FDA_Category_X_L1000_Similarity": -0.158351, "FDA_Category_X_Structural_Similarity": -0.600308, "FDA_Category_X_Weighted_Contribution": -0.702792, "FDA_Category_X_Top_Rank": -0.0885562, "FDA_Category_D_and_X_L1000_Similarity": -0.713331, "FDA_Category_D_and_X_Structural_Similarity": -0.167315, "FDA_Category_D_and_X_Weighted_Contribution": -0.597475, "FDA_Category_D_and_X_Top_Rank": -0.0896369, "Placenta_Crossing_L1000_Similarity": -0.746195, "Placenta_Crossing_Structural_Similarity": -0.26834, "Placenta_Crossing_Weighted_Contribution": -0.661315, "Placenta_Crossing_Top_Rank": -0.0869885, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:176167": { "type": "Drug", "properties": { "id": "CID:176167", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID176167", "label": "enzastaurin", "FDA_Category_D_L1000_Similarity": 2.30299, "FDA_Category_D_Structural_Similarity": 0.179563, "FDA_Category_D_Weighted_Contribution": 1.47761, "FDA_Category_D_Top_Rank": 0.488865, "FDA_Category_X_L1000_Similarity": 2.38336, "FDA_Category_X_Structural_Similarity": 0.207902, "FDA_Category_X_Weighted_Contribution": 1.38751, "FDA_Category_X_Top_Rank": 0.105768, "FDA_Category_D_and_X_L1000_Similarity": 2.70899, "FDA_Category_D_and_X_Structural_Similarity": 0.254704, "FDA_Category_D_and_X_Weighted_Contribution": 1.68016, "FDA_Category_D_and_X_Top_Rank": 0.886928, "Placenta_Crossing_L1000_Similarity": 2.86855, "Placenta_Crossing_Structural_Similarity": -0.846356, "Placenta_Crossing_Weighted_Contribution": 0.453592, "Placenta_Crossing_Top_Rank": 0.709849, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7", "InChI_key": "AXRCEOKUDYDWLF-UHFFFAOYSA-N" } }, "CID:17754438": { "type": "Drug", "properties": { "id": "CID:17754438", "label": "pf-04217903", "lsm": "LSM-1166", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17754438", "FDA_Category_D_L1000_Similarity": 1.78622, "FDA_Category_D_Structural_Similarity": -0.661089, "FDA_Category_D_Weighted_Contribution": 0.255718, "FDA_Category_D_Top_Rank": 0.0682823, "FDA_Category_X_L1000_Similarity": 2.93585, "FDA_Category_X_Structural_Similarity": -0.296, "FDA_Category_X_Weighted_Contribution": 1.12805, "FDA_Category_X_Top_Rank": 0.466537, "FDA_Category_D_and_X_L1000_Similarity": 2.43131, "FDA_Category_D_and_X_Structural_Similarity": -0.684435, "FDA_Category_D_and_X_Weighted_Contribution": 0.52085, "FDA_Category_D_and_X_Top_Rank": 0.414239, "Placenta_Crossing_L1000_Similarity": 2.78047, "Placenta_Crossing_Structural_Similarity": -0.645442, "Placenta_Crossing_Weighted_Contribution": 0.615366, "Placenta_Crossing_Top_Rank": 0.562012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1", "InChI_key": "PDMUGYOXRHVNMO-UHFFFAOYSA-N" } }, "CID:2353": { "type": "Drug", "properties": { "id": "CID:2353", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2353", "label": "berberine", "FDA_Category_D_L1000_Similarity": 0.248409, "FDA_Category_D_Structural_Similarity": -0.240084, "FDA_Category_D_Weighted_Contribution": -0.198817, "FDA_Category_D_Top_Rank": -0.0895402, "FDA_Category_X_L1000_Similarity": 0.277508, "FDA_Category_X_Structural_Similarity": -0.548088, "FDA_Category_X_Weighted_Contribution": -0.487532, "FDA_Category_X_Top_Rank": -0.0851529, "FDA_Category_D_and_X_L1000_Similarity": 0.298408, "FDA_Category_D_and_X_Structural_Similarity": -0.486304, "FDA_Category_D_and_X_Weighted_Contribution": -0.404818, "FDA_Category_D_and_X_Top_Rank": -0.0889665, "Placenta_Crossing_L1000_Similarity": 0.333814, "Placenta_Crossing_Structural_Similarity": -0.760855, "Placenta_Crossing_Weighted_Contribution": -0.620651, "Placenta_Crossing_Top_Rank": -0.0852972, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC", "InChI_key": "YBHILYKTIRIUTE-UHFFFAOYSA-N" } }, "CID:24821094": { "type": "Drug", "properties": { "id": "CID:24821094", "label": "ibrutinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24821094", "IDG_ID": "4810", "FDA_Category_D_L1000_Similarity": 0.953317, "FDA_Category_D_Structural_Similarity": 0.396632, "FDA_Category_D_Weighted_Contribution": 0.851969, "FDA_Category_D_Top_Rank": -0.0683715, "FDA_Category_X_L1000_Similarity": 2.89661, "FDA_Category_X_Structural_Similarity": 0.57632, "FDA_Category_X_Weighted_Contribution": 2.08662, "FDA_Category_X_Top_Rank": 0.423114, "FDA_Category_D_and_X_L1000_Similarity": 1.70143, "FDA_Category_D_and_X_Structural_Similarity": 0.625792, "FDA_Category_D_and_X_Weighted_Contribution": 1.4757, "FDA_Category_D_and_X_Top_Rank": 0.0106566, "Placenta_Crossing_L1000_Similarity": 1.83883, "Placenta_Crossing_Structural_Similarity": -0.00978027, "Placenta_Crossing_Weighted_Contribution": 0.782037, "Placenta_Crossing_Top_Rank": 0.0072251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N", "InChI_key": "XYFPWWZEPKGCCK-GOSISDBHSA-N" } }, "CID:2536": { "type": "Drug", "properties": { "id": "CID:2536", "label": "camostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2536", "FDA_Category_D_L1000_Similarity": 0.794168, "FDA_Category_D_Structural_Similarity": -0.614211, "FDA_Category_D_Weighted_Contribution": -0.247012, "FDA_Category_D_Top_Rank": -0.0762353, "FDA_Category_X_L1000_Similarity": 2.22995, "FDA_Category_X_Structural_Similarity": -0.421586, "FDA_Category_X_Weighted_Contribution": 0.591291, "FDA_Category_X_Top_Rank": 0.0582113, "FDA_Category_D_and_X_L1000_Similarity": 1.36177, "FDA_Category_D_and_X_Structural_Similarity": -0.714994, "FDA_Category_D_and_X_Weighted_Contribution": -0.0898897, "FDA_Category_D_and_X_Top_Rank": -0.0413029, "Placenta_Crossing_L1000_Similarity": 1.63647, "Placenta_Crossing_Structural_Similarity": -0.175822, "Placenta_Crossing_Weighted_Contribution": 0.500336, "Placenta_Crossing_Top_Rank": -0.0244546, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N", "InChI_key": "XASIMHXSUQUHLV-UHFFFAOYSA-N" } }, "CID:2910": { "type": "Drug", "properties": { "id": "CID:2910", "label": "cyclothiazide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2910", "FDA_Category_D_L1000_Similarity": 0.275944, "FDA_Category_D_Structural_Similarity": 0.211016, "FDA_Category_D_Weighted_Contribution": 0.243438, "FDA_Category_D_Top_Rank": -0.0796262, "FDA_Category_X_L1000_Similarity": -0.364368, "FDA_Category_X_Structural_Similarity": -0.177896, "FDA_Category_X_Weighted_Contribution": -0.446256, "FDA_Category_X_Top_Rank": -0.0841085, "FDA_Category_D_and_X_L1000_Similarity": 0.127211, "FDA_Category_D_and_X_Structural_Similarity": 0.0714944, "FDA_Category_D_and_X_Weighted_Contribution": -0.0035788, "FDA_Category_D_and_X_Top_Rank": -0.084815, "Placenta_Crossing_L1000_Similarity": -0.368325, "Placenta_Crossing_Structural_Similarity": 0.253203, "Placenta_Crossing_Weighted_Contribution": -0.0743647, "Placenta_Crossing_Top_Rank": -0.0764127, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl", "InChI_key": "BOCUKUHCLICSIY-UHFFFAOYSA-N" } }, "CID:3025986": { "type": "Drug", "properties": { "id": "CID:3025986", "label": "sns-032", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3025986", "FDA_Category_D_L1000_Similarity": 0.980327, "FDA_Category_D_Structural_Similarity": -0.00483094, "FDA_Category_D_Weighted_Contribution": 0.443256, "FDA_Category_D_Top_Rank": -0.0663451, "FDA_Category_X_L1000_Similarity": -1.80695, "FDA_Category_X_Structural_Similarity": -0.344232, "FDA_Category_X_Weighted_Contribution": -1.08673, "FDA_Category_X_Top_Rank": -0.087264, "FDA_Category_D_and_X_L1000_Similarity": 0.296314, "FDA_Category_D_and_X_Structural_Similarity": -0.189581, "FDA_Category_D_and_X_Weighted_Contribution": -0.154143, "FDA_Category_D_and_X_Top_Rank": -0.0889872, "Placenta_Crossing_L1000_Similarity": -0.137027, "Placenta_Crossing_Structural_Similarity": 1.22112, "Placenta_Crossing_Weighted_Contribution": 1.02698, "Placenta_Crossing_Top_Rank": -0.0385603, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3", "InChI_key": "OUSFTKFNBAZUKL-UHFFFAOYSA-N" } }, "CID:310557": { "type": "Drug", "properties": { "id": "CID:310557", "label": "exo-1", "lsm": "LSM-3769", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/310557", "FDA_Category_D_L1000_Similarity": 0.737317, "FDA_Category_D_Structural_Similarity": -0.657797, "FDA_Category_D_Weighted_Contribution": -0.313629, "FDA_Category_D_Top_Rank": -0.0783587, "FDA_Category_X_L1000_Similarity": 1.5412, "FDA_Category_X_Structural_Similarity": -0.238506, "FDA_Category_X_Weighted_Contribution": 0.416592, "FDA_Category_X_Top_Rank": -0.0445702, "FDA_Category_D_and_X_L1000_Similarity": 1.10362, "FDA_Category_D_and_X_Structural_Similarity": -0.6508, "FDA_Category_D_and_X_Weighted_Contribution": -0.161814, "FDA_Category_D_and_X_Top_Rank": -0.0624934, "Placenta_Crossing_L1000_Similarity": 1.7025, "Placenta_Crossing_Structural_Similarity": -0.365396, "Placenta_Crossing_Weighted_Contribution": 0.341346, "Placenta_Crossing_Top_Rank": -0.0148935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)F", "InChI_key": "KIAPWMKFHIKQOZ-UHFFFAOYSA-N" } }, "CID:3356": { "type": "Drug", "properties": { "id": "CID:3356", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3356", "label": "flecainide", "ref": "LSM-1297", "FDA_Category_D_L1000_Similarity": 0.26754, "FDA_Category_D_Structural_Similarity": -0.465973, "FDA_Category_D_Weighted_Contribution": -0.384016, "FDA_Category_D_Top_Rank": -0.0893079, "FDA_Category_X_L1000_Similarity": 2.24817, "FDA_Category_X_Structural_Similarity": -0.49249, "FDA_Category_X_Weighted_Contribution": 0.523981, "FDA_Category_X_Top_Rank": 0.0623697, "FDA_Category_D_and_X_L1000_Similarity": 0.913351, "FDA_Category_D_and_X_Structural_Similarity": -0.635595, "FDA_Category_D_and_X_Weighted_Contribution": -0.241567, "FDA_Category_D_and_X_Top_Rank": -0.0734307, "Placenta_Crossing_L1000_Similarity": 1.03705, "Placenta_Crossing_Structural_Similarity": 0.355996, "Placenta_Crossing_Weighted_Contribution": 0.738551, "Placenta_Crossing_Top_Rank": -0.069183, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F", "InChI_key": "DJBNUMBKLMJRSA-UHFFFAOYSA-N" } }, "CID:3571": { "type": "Drug", "properties": { "id": "CID:3571", "label": "hc-toxin", "lsm": "LSM-5046", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3571", "FDA_Category_D_L1000_Similarity": -0.569633, "FDA_Category_D_Structural_Similarity": -0.322813, "FDA_Category_D_Weighted_Contribution": -0.656935, "FDA_Category_D_Top_Rank": -0.0917673, "FDA_Category_X_L1000_Similarity": -1.61446, "FDA_Category_X_Structural_Similarity": -0.343646, "FDA_Category_X_Weighted_Contribution": -1.02781, "FDA_Category_X_Top_Rank": -0.0872513, "FDA_Category_D_and_X_L1000_Similarity": -0.981308, "FDA_Category_D_and_X_Structural_Similarity": -0.441651, "FDA_Category_D_and_X_Weighted_Contribution": -0.88814, "FDA_Category_D_and_X_Top_Rank": -0.0934204, "Placenta_Crossing_L1000_Similarity": -1.05041, "Placenta_Crossing_Structural_Similarity": 0.225181, "Placenta_Crossing_Weighted_Contribution": -0.399043, "Placenta_Crossing_Top_Rank": -0.0771332, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)C3CO3", "InChI_key": "GNYCTMYOHGBSBI-UHFFFAOYSA-N" } }, "CID:3955": { "type": "Drug", "properties": { "id": "CID:3955", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3955", "label": "loperamide", "FDA_Category_D_L1000_Similarity": -1.33722, "FDA_Category_D_Structural_Similarity": 3.78328, "FDA_Category_D_Weighted_Contribution": 2.91356, "FDA_Category_D_Top_Rank": 0.454379, "FDA_Category_X_L1000_Similarity": 1.48765, "FDA_Category_X_Structural_Similarity": -0.659907, "FDA_Category_X_Weighted_Contribution": -0.0411151, "FDA_Category_X_Top_Rank": -0.04783, "FDA_Category_D_and_X_L1000_Similarity": -0.700932, "FDA_Category_D_and_X_Structural_Similarity": 2.64676, "FDA_Category_D_and_X_Weighted_Contribution": 2.16714, "FDA_Category_D_and_X_Top_Rank": 0.12663, "Placenta_Crossing_L1000_Similarity": -0.703172, "Placenta_Crossing_Structural_Similarity": -1.00486, "Placenta_Crossing_Weighted_Contribution": -1.11103, "Placenta_Crossing_Top_Rank": -0.0913121, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4", "InChI_key": "RDOIQAHITMMDAJ-UHFFFAOYSA-N" } }, "CID:3994476": { "type": "Drug", "properties": { "id": "CID:3994476", "label": "MM77", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3994476", "FDA_Category_D_L1000_Similarity": -0.216265, "FDA_Category_D_Structural_Similarity": -0.136482, "FDA_Category_D_Weighted_Contribution": -0.345209, "FDA_Category_D_Top_Rank": -0.0882819, "FDA_Category_X_L1000_Similarity": 1.20474, "FDA_Category_X_Structural_Similarity": -0.390694, "FDA_Category_X_Weighted_Contribution": 0.0846662, "FDA_Category_X_Top_Rank": -0.0638997, "FDA_Category_D_and_X_L1000_Similarity": 0.179427, "FDA_Category_D_and_X_Structural_Similarity": -0.319145, "FDA_Category_D_and_X_Weighted_Contribution": -0.322137, "FDA_Category_D_and_X_Top_Rank": -0.0904898, "Placenta_Crossing_L1000_Similarity": -0.147281, "Placenta_Crossing_Structural_Similarity": -0.729927, "Placenta_Crossing_Weighted_Contribution": -0.772498, "Placenta_Crossing_Top_Rank": -0.0892667, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4043357": { "type": "Drug", "properties": { "id": "CID:4043357", "label": "hemado", "lsm": "LSM-1233", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4043357", "FDA_Category_D_L1000_Similarity": 1.2699, "FDA_Category_D_Structural_Similarity": 0.0845254, "FDA_Category_D_Weighted_Contribution": 0.715719, "FDA_Category_D_Top_Rank": -0.0414521, "FDA_Category_X_L1000_Similarity": 0.217618, "FDA_Category_X_Structural_Similarity": 0.597897, "FDA_Category_X_Weighted_Contribution": 0.604978, "FDA_Category_X_Top_Rank": -0.0579672, "FDA_Category_D_and_X_L1000_Similarity": 1.16075, "FDA_Category_D_and_X_Structural_Similarity": 0.389712, "FDA_Category_D_and_X_Weighted_Contribution": 0.899575, "FDA_Category_D_and_X_Top_Rank": -0.05822, "Placenta_Crossing_L1000_Similarity": 1.03834, "Placenta_Crossing_Structural_Similarity": 0.194903, "Placenta_Crossing_Weighted_Contribution": 0.570033, "Placenta_Crossing_Top_Rank": -0.0691201, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC", "InChI_key": "KOCIMZNSNPOGOP-UHFFFAOYSA-N" } }, "CID:4100": { "type": "Drug", "properties": { "id": "CID:4100", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4100", "label": "methazolamide", "FDA_Category_D_L1000_Similarity": 1.69347, "FDA_Category_D_Structural_Similarity": -0.205487, "FDA_Category_D_Weighted_Contribution": 0.670952, "FDA_Category_D_Top_Rank": 0.0404275, "FDA_Category_X_L1000_Similarity": 2.08971, "FDA_Category_X_Structural_Similarity": 0.439431, "FDA_Category_X_Weighted_Contribution": 1.48389, "FDA_Category_X_Top_Rank": 0.0266178, "FDA_Category_D_and_X_L1000_Similarity": 2.0944, "FDA_Category_D_and_X_Structural_Similarity": 0.0740174, "FDA_Category_D_and_X_Weighted_Contribution": 1.12131, "FDA_Category_D_and_X_Top_Rank": 0.15102, "Placenta_Crossing_L1000_Similarity": 2.76016, "Placenta_Crossing_Structural_Similarity": 0.356471, "Placenta_Crossing_Weighted_Contribution": 1.67777, "Placenta_Crossing_Top_Rank": 0.516989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C", "InChI_key": "FLOSMHQXBMRNHR-UHFFFAOYSA-N" } }, "CID:4107": { "type": "Drug", "properties": { "id": "CID:4107", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4107", "label": "methocarbamol", "FDA_Category_D_L1000_Similarity": -0.765325, "FDA_Category_D_Structural_Similarity": -0.885716, "FDA_Category_D_Weighted_Contribution": -1.09352, "FDA_Category_D_Top_Rank": -0.0958948, "FDA_Category_X_L1000_Similarity": 0.910375, "FDA_Category_X_Structural_Similarity": -0.743568, "FDA_Category_X_Weighted_Contribution": -0.384168, "FDA_Category_X_Top_Rank": -0.074172, "FDA_Category_D_and_X_L1000_Similarity": -0.38326, "FDA_Category_D_and_X_Structural_Similarity": -1.10423, "FDA_Category_D_and_X_Weighted_Contribution": -1.07924, "FDA_Category_D_and_X_Top_Rank": -0.0946091, "Placenta_Crossing_L1000_Similarity": 1.7175, "Placenta_Crossing_Structural_Similarity": -0.960752, "Placenta_Crossing_Weighted_Contribution": -0.213933, "Placenta_Crossing_Top_Rank": -0.0131881, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1OCC(COC(=O)N)O", "InChI_key": "GNXFOGHNGIVQEH-UHFFFAOYSA-N" } }, "CID:4167": { "type": "Drug", "properties": { "id": "CID:4167", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4167", "label": "metixene", "FDA_Category_D_L1000_Similarity": -0.235868, "FDA_Category_D_Structural_Similarity": -0.876357, "FDA_Category_D_Weighted_Contribution": -0.903336, "FDA_Category_D_Top_Rank": -0.0938831, "FDA_Category_X_L1000_Similarity": 1.92865, "FDA_Category_X_Structural_Similarity": -0.720875, "FDA_Category_X_Weighted_Contribution": 0.116874, "FDA_Category_X_Top_Rank": -0.000493832, "FDA_Category_D_and_X_L1000_Similarity": 0.382375, "FDA_Category_D_and_X_Structural_Similarity": -1.08456, "FDA_Category_D_and_X_Weighted_Contribution": -0.809954, "FDA_Category_D_and_X_Top_Rank": -0.0877356, "Placenta_Crossing_L1000_Similarity": 0.203286, "Placenta_Crossing_Structural_Similarity": -0.869187, "Placenta_Crossing_Weighted_Contribution": -0.745939, "Placenta_Crossing_Top_Rank": -0.0865905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24", "InChI_key": "MJFJKKXQDNNUJF-UHFFFAOYSA-N" } }, "CID:4197": { "type": "Drug", "properties": { "id": "CID:4197", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4197", "label": "milrinone", "ref": "LSM-3493", "FDA_Category_D_L1000_Similarity": 0.273634, "FDA_Category_D_Structural_Similarity": -0.812842, "FDA_Category_D_Weighted_Contribution": -0.654147, "FDA_Category_D_Top_Rank": -0.0892208, "FDA_Category_X_L1000_Similarity": 1.20751, "FDA_Category_X_Structural_Similarity": -0.564096, "FDA_Category_X_Weighted_Contribution": -0.0838959, "FDA_Category_X_Top_Rank": -0.0637708, "FDA_Category_D_and_X_L1000_Similarity": 0.602572, "FDA_Category_D_and_X_Structural_Similarity": -0.949547, "FDA_Category_D_and_X_Weighted_Contribution": -0.630312, "FDA_Category_D_and_X_Top_Rank": -0.0833725, "Placenta_Crossing_L1000_Similarity": 0.957009, "Placenta_Crossing_Structural_Similarity": 1.78172, "Placenta_Crossing_Weighted_Contribution": 2.2002, "Placenta_Crossing_Top_Rank": 0.00826399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2", "InChI_key": "PZRHRDRVRGEVNW-UHFFFAOYSA-N" } }, "CID:441199": { "type": "Drug", "properties": { "id": "CID:441199", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441199", "label": "cefoxitin", "FDA_Category_D_L1000_Similarity": 0.659551, "FDA_Category_D_Structural_Similarity": 0.164915, "FDA_Category_D_Weighted_Contribution": 0.424583, "FDA_Category_D_Top_Rank": -0.0809088, "FDA_Category_X_L1000_Similarity": 2.31137, "FDA_Category_X_Structural_Similarity": 0.71129, "FDA_Category_X_Weighted_Contribution": 1.9141, "FDA_Category_X_Top_Rank": 0.0803015, "FDA_Category_D_and_X_L1000_Similarity": 1.27047, "FDA_Category_D_and_X_Structural_Similarity": 0.514704, "FDA_Category_D_and_X_Weighted_Contribution": 1.09863, "FDA_Category_D_and_X_Top_Rank": -0.0494812, "Placenta_Crossing_L1000_Similarity": 2.0169, "Placenta_Crossing_Structural_Similarity": 1.67105, "Placenta_Crossing_Weighted_Contribution": 2.59869, "Placenta_Crossing_Top_Rank": 0.0484158, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3", "InChI_key": "WZOZEZRFJCJXNZ-ZBFHGGJFSA-N" } }, "CID:441290": { "type": "Drug", "properties": { "id": "CID:441290", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441290", "label": "rocuronium", "FDA_Category_D_L1000_Similarity": 0.655128, "FDA_Category_D_Structural_Similarity": -0.103359, "FDA_Category_D_Weighted_Contribution": 0.152164, "FDA_Category_D_Top_Rank": -0.0810456, "FDA_Category_X_L1000_Similarity": 1.77603, "FDA_Category_X_Structural_Similarity": 0.206965, "FDA_Category_X_Weighted_Contribution": 1.04, "FDA_Category_X_Top_Rank": -0.0223798, "FDA_Category_D_and_X_L1000_Similarity": 1.10408, "FDA_Category_D_and_X_Structural_Similarity": 0.0296398, "FDA_Category_D_and_X_Weighted_Contribution": 0.490228, "FDA_Category_D_and_X_Top_Rank": -0.062436, "Placenta_Crossing_L1000_Similarity": 0.460607, "Placenta_Crossing_Structural_Similarity": -0.417251, "Placenta_Crossing_Weighted_Contribution": -0.295297, "Placenta_Crossing_Top_Rank": -0.0835678, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C", "InChI_key": "YXRDKMPIGHSVRX-OOJCLDBCSA-N" } }, "CID:4417": { "type": "Drug", "properties": { "id": "CID:4417", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4417", "label": "naftidrofuryl", "FDA_Category_D_L1000_Similarity": 0.14137, "FDA_Category_D_Structural_Similarity": -0.605731, "FDA_Category_D_Weighted_Contribution": -0.555964, "FDA_Category_D_Top_Rank": -0.0908274, "FDA_Category_X_L1000_Similarity": -0.499311, "FDA_Category_X_Structural_Similarity": -0.69716, "FDA_Category_X_Weighted_Contribution": -0.894837, "FDA_Category_X_Top_Rank": -0.0900373, "FDA_Category_D_and_X_L1000_Similarity": -0.0297707, "FDA_Category_D_and_X_Structural_Similarity": -0.856961, "FDA_Category_D_and_X_Weighted_Contribution": -0.812221, "FDA_Category_D_and_X_Top_Rank": -0.0924512, "Placenta_Crossing_L1000_Similarity": 1.58961, "Placenta_Crossing_Structural_Similarity": -0.778926, "Placenta_Crossing_Weighted_Contribution": -0.109729, "Placenta_Crossing_Top_Rank": -0.0298712, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32", "InChI_key": "KBAFPSLPKGSANY-UHFFFAOYSA-N" } }, "CID:442195": { "type": "Drug", "properties": { "id": "CID:442195", "label": "cephaeline", "lsm": "LSM-3808", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442195", "FDA_Category_D_L1000_Similarity": -0.665969, "FDA_Category_D_Structural_Similarity": -0.309725, "FDA_Category_D_Weighted_Contribution": -0.688649, "FDA_Category_D_Top_Rank": -0.0915566, "FDA_Category_X_L1000_Similarity": -1.34507, "FDA_Category_X_Structural_Similarity": 0.154902, "FDA_Category_X_Weighted_Contribution": -0.576851, "FDA_Category_X_Top_Rank": -0.0750665, "FDA_Category_D_and_X_L1000_Similarity": -0.982548, "FDA_Category_D_and_X_Structural_Similarity": -0.162249, "FDA_Category_D_and_X_Weighted_Contribution": -0.702879, "FDA_Category_D_and_X_Top_Rank": -0.0895392, "Placenta_Crossing_L1000_Similarity": -0.989459, "Placenta_Crossing_Structural_Similarity": -0.413481, "Placenta_Crossing_Weighted_Contribution": -0.846488, "Placenta_Crossing_Top_Rank": -0.0888414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC", "InChI_key": "DTGZHCFJNDAHEN-OZEXIGSWSA-N" } }, "CID:442424": { "type": "Drug", "properties": { "id": "CID:442424", "label": "genipin", "lsm": "LSM-4955", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442424", "FDA_Category_D_L1000_Similarity": 0.530355, "FDA_Category_D_Structural_Similarity": 0.0602044, "FDA_Category_D_Weighted_Contribution": 0.24161, "FDA_Category_D_Top_Rank": -0.0836857, "FDA_Category_X_L1000_Similarity": -2.00401, "FDA_Category_X_Structural_Similarity": 0.899793, "FDA_Category_X_Weighted_Contribution": -0.218473, "FDA_Category_X_Top_Rank": -0.0456019, "FDA_Category_D_and_X_L1000_Similarity": -0.151406, "FDA_Category_D_and_X_Structural_Similarity": 0.53331, "FDA_Category_D_and_X_Weighted_Contribution": 0.289083, "FDA_Category_D_and_X_Top_Rank": -0.0728864, "Placenta_Crossing_L1000_Similarity": 0.290814, "Placenta_Crossing_Structural_Similarity": -0.589917, "Placenta_Crossing_Weighted_Contribution": -0.506954, "Placenta_Crossing_Top_Rank": -0.085754, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44246499": { "type": "Drug", "properties": { "id": "CID:44246499", "label": "brd-a18279961", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44246499", "FDA_Category_D_L1000_Similarity": 1.28844, "FDA_Category_D_Structural_Similarity": -0.278837, "FDA_Category_D_Weighted_Contribution": 0.347289, "FDA_Category_D_Top_Rank": -0.0386831, "FDA_Category_X_L1000_Similarity": -0.0861892, "FDA_Category_X_Structural_Similarity": 0.316141, "FDA_Category_X_Weighted_Contribution": 0.145979, "FDA_Category_X_Top_Rank": -0.0691357, "FDA_Category_D_and_X_L1000_Similarity": 1.08448, "FDA_Category_D_and_X_Structural_Similarity": -0.0507282, "FDA_Category_D_and_X_Weighted_Contribution": 0.397584, "FDA_Category_D_and_X_Top_Rank": -0.0638497, "Placenta_Crossing_L1000_Similarity": 0.92523, "Placenta_Crossing_Structural_Similarity": -0.445801, "Placenta_Crossing_Weighted_Contribution": -0.113275, "Placenta_Crossing_Top_Rank": -0.0729045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C3=C1C(=O)N(N=C3)CC4=CC(=CC=C4)N)SC(=C2)S(=O)C", "InChI_key": "ZWKJWVSEDISQIS-UHFFFAOYSA-N" } }, "CID:44483817": { "type": "Drug", "properties": { "id": "CID:44483817", "label": "sa-102096", "lsm": "LSM-6640", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483817", "FDA_Category_D_L1000_Similarity": 0.761916, "FDA_Category_X_L1000_Similarity": 1.96552, "FDA_Category_D_and_X_L1000_Similarity": 1.25367, "Placenta_Crossing_L1000_Similarity": 1.24122, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "GEPQSEIVCGMSGO-GJFGOQOUSA-N" } }, "CID:44492894": { "type": "Drug", "properties": { "id": "CID:44492894", "label": "SA-90471", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44492894", "FDA_Category_D_L1000_Similarity": 1.76654, "FDA_Category_D_Structural_Similarity": -0.077759, "FDA_Category_D_Weighted_Contribution": 0.853934, "FDA_Category_D_Top_Rank": 0.0618789, "FDA_Category_X_L1000_Similarity": 0.00907397, "FDA_Category_X_Structural_Similarity": 0.65359, "FDA_Category_X_Weighted_Contribution": 0.551823, "FDA_Category_X_Top_Rank": -0.0557228, "FDA_Category_D_and_X_L1000_Similarity": 1.52554, "FDA_Category_D_and_X_Structural_Similarity": 0.290956, "FDA_Category_D_and_X_Weighted_Contribution": 1.01225, "FDA_Category_D_and_X_Top_Rank": -0.0200686, "Placenta_Crossing_L1000_Similarity": 1.04848, "Placenta_Crossing_Structural_Similarity": 0.716589, "Placenta_Crossing_Weighted_Contribution": 1.13158, "Placenta_Crossing_Top_Rank": -0.0625377, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44494796": { "type": "Drug", "properties": { "id": "CID:44494796", "label": "SA-97378", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494796", "FDA_Category_D_L1000_Similarity": 0.248606, "FDA_Category_D_Structural_Similarity": -0.811049, "FDA_Category_D_Weighted_Contribution": -0.663631, "FDA_Category_D_Top_Rank": -0.089537, "FDA_Category_X_L1000_Similarity": -0.175162, "FDA_Category_X_Structural_Similarity": 0.146895, "FDA_Category_X_Weighted_Contribution": -0.0655468, "FDA_Category_X_Top_Rank": -0.0754282, "FDA_Category_D_and_X_L1000_Similarity": 0.161118, "FDA_Category_D_and_X_Structural_Similarity": -0.564476, "FDA_Category_D_and_X_Weighted_Contribution": -0.527209, "FDA_Category_D_and_X_Top_Rank": -0.0906924, "Placenta_Crossing_L1000_Similarity": 0.11118, "Placenta_Crossing_Structural_Similarity": -0.852907, "Placenta_Crossing_Weighted_Contribution": -0.76693, "Placenta_Crossing_Top_Rank": -0.087442, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44497527": { "type": "Drug", "properties": { "id": "CID:44497527", "label": "SA-96805", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44497527", "FDA_Category_D_L1000_Similarity": 0.467011, "FDA_Category_D_Structural_Similarity": -0.726527, "FDA_Category_D_Weighted_Contribution": -0.501094, "FDA_Category_D_Top_Rank": -0.0858769, "FDA_Category_X_L1000_Similarity": 0.64293, "FDA_Category_X_Structural_Similarity": 0.228869, "FDA_Category_X_Weighted_Contribution": 0.435703, "FDA_Category_X_Top_Rank": -0.0722169, "FDA_Category_D_and_X_L1000_Similarity": 0.597807, "FDA_Category_D_and_X_Structural_Similarity": -0.453158, "FDA_Category_D_and_X_Weighted_Contribution": -0.236783, "FDA_Category_D_and_X_Top_Rank": -0.0834797, "Placenta_Crossing_L1000_Similarity": 0.57692, "Placenta_Crossing_Structural_Similarity": -0.823236, "Placenta_Crossing_Weighted_Contribution": -0.574921, "Placenta_Crossing_Top_Rank": -0.081536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44502578": { "type": "Drug", "properties": { "id": "CID:44502578", "label": "SA-244358", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44502578", "FDA_Category_D_L1000_Similarity": 1.37257, "FDA_Category_D_Structural_Similarity": -0.174669, "FDA_Category_D_Weighted_Contribution": 0.505391, "FDA_Category_D_Top_Rank": -0.0288449, "FDA_Category_X_L1000_Similarity": 0.585282, "FDA_Category_X_Structural_Similarity": 0.56282, "FDA_Category_X_Weighted_Contribution": 0.769658, "FDA_Category_X_Top_Rank": -0.059308, "FDA_Category_D_and_X_L1000_Similarity": 1.36092, "FDA_Category_D_and_X_Structural_Similarity": 0.165058, "FDA_Category_D_and_X_Weighted_Contribution": 0.780523, "FDA_Category_D_and_X_Top_Rank": -0.0415014, "Placenta_Crossing_L1000_Similarity": 1.49538, "Placenta_Crossing_Structural_Similarity": -0.397742, "Placenta_Crossing_Weighted_Contribution": 0.204904, "Placenta_Crossing_Top_Rank": -0.0402899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505045": { "type": "Drug", "properties": { "id": "CID:44505045", "label": "SA-419050", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505045", "FDA_Category_D_L1000_Similarity": 0.371266, "FDA_Category_X_L1000_Similarity": -0.334091, "FDA_Category_D_and_X_L1000_Similarity": 0.218582, "Placenta_Crossing_L1000_Similarity": 0.512718, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44564": { "type": "Drug", "properties": { "id": "CID:44564", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44564", "label": "lodoxamide", "FDA_Category_D_L1000_Similarity": 0.919036, "FDA_Category_D_Structural_Similarity": -0.568199, "FDA_Category_D_Weighted_Contribution": -0.140755, "FDA_Category_D_Top_Rank": -0.0703742, "FDA_Category_X_L1000_Similarity": 1.0797, "FDA_Category_X_Structural_Similarity": -0.702033, "FDA_Category_X_Weighted_Contribution": -0.272092, "FDA_Category_X_Top_Rank": -0.0688258, "FDA_Category_D_and_X_L1000_Similarity": 1.12011, "FDA_Category_D_and_X_Structural_Similarity": -0.829802, "FDA_Category_D_and_X_Weighted_Contribution": -0.308173, "FDA_Category_D_and_X_Top_Rank": -0.0611319, "Placenta_Crossing_L1000_Similarity": -0.244391, "Placenta_Crossing_Structural_Similarity": -0.889071, "Placenta_Crossing_Weighted_Contribution": -0.908895, "Placenta_Crossing_Top_Rank": -0.0898042, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N", "InChI_key": "RVGLGHVJXCETIO-UHFFFAOYSA-N" } }, "CID:44616686": { "type": "Drug", "properties": { "id": "CID:44616686", "label": "SA-441487", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44616686", "FDA_Category_D_L1000_Similarity": 0.308106, "FDA_Category_X_L1000_Similarity": 1.53473, "FDA_Category_D_and_X_L1000_Similarity": 0.73166, "Placenta_Crossing_L1000_Similarity": 1.41476, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44616738": { "type": "Drug", "properties": { "id": "CID:44616738", "label": "SA-427228", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44616738", "FDA_Category_D_L1000_Similarity": 0.998271, "FDA_Category_D_Structural_Similarity": -0.210412, "FDA_Category_D_Weighted_Contribution": 0.24499, "FDA_Category_D_Top_Rank": -0.065452, "FDA_Category_X_L1000_Similarity": 1.44163, "FDA_Category_X_Structural_Similarity": 0.346166, "FDA_Category_X_Weighted_Contribution": 1.00808, "FDA_Category_X_Top_Rank": -0.0508788, "FDA_Category_D_and_X_L1000_Similarity": 1.29832, "FDA_Category_D_and_X_Structural_Similarity": 0.0197834, "FDA_Category_D_and_X_Weighted_Contribution": 0.592034, "FDA_Category_D_and_X_Top_Rank": -0.0472429, "Placenta_Crossing_L1000_Similarity": 1.61735, "Placenta_Crossing_Structural_Similarity": -0.319214, "Placenta_Crossing_Weighted_Contribution": 0.344347, "Placenta_Crossing_Top_Rank": -0.0269851, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4463": { "type": "Drug", "properties": { "id": "CID:4463", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4463", "label": "nevirapine", "ref": "LSM-5336", "FDA_Category_D_L1000_Similarity": 0.334902, "FDA_Category_D_Structural_Similarity": 0.965159, "FDA_Category_D_Weighted_Contribution": 1.07646, "FDA_Category_D_Top_Rank": -0.0519974, "FDA_Category_X_L1000_Similarity": 2.26319, "FDA_Category_X_Structural_Similarity": -0.687227, "FDA_Category_X_Weighted_Contribution": 0.323972, "FDA_Category_X_Top_Rank": 0.0672579, "FDA_Category_D_and_X_L1000_Similarity": 0.975974, "FDA_Category_D_and_X_Structural_Similarity": 0.395235, "FDA_Category_D_and_X_Weighted_Contribution": 0.7957, "FDA_Category_D_and_X_Top_Rank": -0.070456, "Placenta_Crossing_L1000_Similarity": 1.96916, "Placenta_Crossing_Structural_Similarity": 0.21681, "Placenta_Crossing_Weighted_Contribution": 1.09624, "Placenta_Crossing_Top_Rank": 0.0367057, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4", "InChI_key": "NQDJXKOVJZTUJA-UHFFFAOYSA-N" } }, "CID:449171": { "type": "Drug", "properties": { "id": "CID:449171", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID449171", "label": "alitretinoin", "FDA_Category_D_L1000_Similarity": 1.18025, "FDA_Category_X_L1000_Similarity": 0.424374, "FDA_Category_D_and_X_L1000_Similarity": 1.14626, "Placenta_Crossing_L1000_Similarity": 1.39852, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C", "InChI_key": "SHGAZHPCJJPHSC-ZVCIMWCZSA-N" } }, "CID:46926350": { "type": "Drug", "properties": { "id": "CID:46926350", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46926350", "label": "dinaciclib", "FDA_Category_D_L1000_Similarity": 0.981682, "FDA_Category_D_Structural_Similarity": -0.324113, "FDA_Category_D_Weighted_Contribution": 0.123348, "FDA_Category_D_Top_Rank": -0.0662743, "FDA_Category_X_L1000_Similarity": -1.28176, "FDA_Category_X_Structural_Similarity": -0.761219, "FDA_Category_X_Weighted_Contribution": -1.17519, "FDA_Category_X_Top_Rank": -0.0916311, "FDA_Category_D_and_X_L1000_Similarity": 0.456978, "FDA_Category_D_and_X_Structural_Similarity": -0.668004, "FDA_Category_D_and_X_Weighted_Contribution": -0.478819, "FDA_Category_D_and_X_Top_Rank": -0.0864817, "Placenta_Crossing_L1000_Similarity": -0.0836428, "Placenta_Crossing_Structural_Similarity": 1.61441, "Placenta_Crossing_Weighted_Contribution": 1.48072, "Placenta_Crossing_Top_Rank": -0.0114115, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCCC4CCO", "InChI_key": "PIMQWRZWLQKKBJ-SFHVURJKSA-N" } }, "CID:4748": { "type": "Drug", "properties": { "id": "CID:4748", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4748", "label": "perphenazine", "FDA_Category_D_L1000_Similarity": -1.97343, "FDA_Category_D_Structural_Similarity": 0.023286, "FDA_Category_D_Weighted_Contribution": -0.976687, "FDA_Category_D_Top_Rank": -0.0846138, "FDA_Category_X_L1000_Similarity": 2.01455, "FDA_Category_X_Structural_Similarity": -0.208961, "FDA_Category_X_Weighted_Contribution": 0.706761, "FDA_Category_X_Top_Rank": 0.0142373, "FDA_Category_D_and_X_L1000_Similarity": -1.08935, "FDA_Category_D_and_X_Structural_Similarity": -0.0942722, "FDA_Category_D_and_X_Weighted_Contribution": -0.697174, "FDA_Category_D_and_X_Top_Rank": -0.0881948, "Placenta_Crossing_L1000_Similarity": -1.8397, "Placenta_Crossing_Structural_Similarity": 1.58902, "Placenta_Crossing_Weighted_Contribution": 0.501733, "Placenta_Crossing_Top_Rank": -0.0137202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO", "InChI_key": "RGCVKNLCSQQDEP-UHFFFAOYSA-N" } }, "CID:4753": { "type": "Drug", "properties": { "id": "CID:4753", "label": "phenacemide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4753", "FDA_Category_D_L1000_Similarity": -0.810332, "FDA_Category_D_Structural_Similarity": -0.169329, "FDA_Category_D_Weighted_Contribution": -0.647662, "FDA_Category_D_Top_Rank": -0.0888719, "FDA_Category_X_L1000_Similarity": 0.489511, "FDA_Category_X_Structural_Similarity": -0.321398, "FDA_Category_X_Weighted_Contribution": -0.193898, "FDA_Category_X_Top_Rank": -0.0826484, "FDA_Category_D_and_X_L1000_Similarity": -0.549866, "FDA_Category_D_and_X_Structural_Similarity": -0.307824, "FDA_Category_D_and_X_Weighted_Contribution": -0.633446, "FDA_Category_D_and_X_Top_Rank": -0.0918176, "Placenta_Crossing_L1000_Similarity": -0.344495, "Placenta_Crossing_Structural_Similarity": 0.0360916, "Placenta_Crossing_Weighted_Contribution": -0.256764, "Placenta_Crossing_Top_Rank": -0.0815256, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CC(=O)NC(=O)N", "InChI_key": "XPFRXWCVYUEORT-UHFFFAOYSA-N" } }, "CID:4781": { "type": "Drug", "properties": { "id": "CID:4781", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4781", "label": "phenylbutazone", "FDA_Category_D_L1000_Similarity": 0.681034, "FDA_Category_D_Structural_Similarity": -0.486006, "FDA_Category_D_Weighted_Contribution": -0.192204, "FDA_Category_D_Top_Rank": -0.080281, "FDA_Category_X_L1000_Similarity": 2.04159, "FDA_Category_X_Structural_Similarity": -0.0636915, "FDA_Category_X_Weighted_Contribution": 0.88421, "FDA_Category_X_Top_Rank": 0.0180813, "FDA_Category_D_and_X_L1000_Similarity": 1.20704, "FDA_Category_D_and_X_Structural_Similarity": -0.420117, "FDA_Category_D_and_X_Weighted_Contribution": 0.103028, "FDA_Category_D_and_X_Top_Rank": -0.0541764, "Placenta_Crossing_L1000_Similarity": 0.689305, "Placenta_Crossing_Structural_Similarity": 0.726329, "Placenta_Crossing_Weighted_Contribution": 0.945601, "Placenta_Crossing_Top_Rank": -0.0621068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "VYMDGNCVAMGZFE-UHFFFAOYSA-N" } }, "CID:4826": { "type": "Drug", "properties": { "id": "CID:4826", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4826", "label": "pinacidil", "FDA_Category_D_L1000_Similarity": 1.31755, "FDA_Category_D_Structural_Similarity": -0.832633, "FDA_Category_D_Weighted_Contribution": -0.168816, "FDA_Category_D_Top_Rank": -0.0357329, "FDA_Category_X_L1000_Similarity": -0.772447, "FDA_Category_X_Structural_Similarity": -0.594024, "FDA_Category_X_Weighted_Contribution": -0.917461, "FDA_Category_X_Top_Rank": -0.0908166, "FDA_Category_D_and_X_L1000_Similarity": 0.901174, "FDA_Category_D_and_X_Structural_Similarity": -0.981405, "FDA_Category_D_and_X_Weighted_Contribution": -0.528804, "FDA_Category_D_and_X_Top_Rank": -0.0739999, "Placenta_Crossing_L1000_Similarity": 1.23652, "Placenta_Crossing_Structural_Similarity": -0.863631, "Placenta_Crossing_Weighted_Contribution": -0.339892, "Placenta_Crossing_Top_Rank": -0.0598688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1", "InChI_key": "IVVNZDGDKPTYHK-UHFFFAOYSA-N" } }, "CID:4904": { "type": "Drug", "properties": { "id": "CID:4904", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4904", "label": "Pridinol", "FDA_Category_D_L1000_Similarity": -1.64377, "FDA_Category_D_Structural_Similarity": 1.74677, "FDA_Category_D_Weighted_Contribution": 0.66885, "FDA_Category_D_Top_Rank": 0.0126419, "FDA_Category_X_L1000_Similarity": 0.471484, "FDA_Category_X_Structural_Similarity": -0.761338, "FDA_Category_X_Weighted_Contribution": -0.582651, "FDA_Category_X_Top_Rank": -0.0828576, "FDA_Category_D_and_X_L1000_Similarity": -1.27377, "FDA_Category_D_and_X_Structural_Similarity": 0.975622, "FDA_Category_D_and_X_Weighted_Contribution": 0.107855, "FDA_Category_D_and_X_Top_Rank": -0.0545888, "Placenta_Crossing_L1000_Similarity": -0.384475, "Placenta_Crossing_Structural_Similarity": 1.3065, "Placenta_Crossing_Weighted_Contribution": 0.983715, "Placenta_Crossing_Top_Rank": -0.0325329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:49843054": { "type": "Drug", "properties": { "id": "CID:49843054", "label": "sd-6-035-a3", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843054", "FDA_Category_D_L1000_Similarity": 0.922451, "FDA_Category_X_L1000_Similarity": 1.56387, "FDA_Category_D_and_X_L1000_Similarity": 1.27009, "Placenta_Crossing_L1000_Similarity": 1.62078, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-PHSVBEEISA-N" } }, "CID:49867936": { "type": "Drug", "properties": { "id": "CID:49867936", "label": "MLN-9708", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49867936", "FDA_Category_D_L1000_Similarity": -0.987273, "FDA_Category_X_L1000_Similarity": -1.7514, "FDA_Category_D_and_X_L1000_Similarity": -1.38292, "Placenta_Crossing_L1000_Similarity": -1.53765, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5055": { "type": "Drug", "properties": { "id": "CID:5055", "label": "resorcinol monoacetate", "lsm": "LSM-3915", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5055", "FDA_Category_D_L1000_Similarity": 0.863225, "FDA_Category_D_Structural_Similarity": -0.644247, "FDA_Category_D_Weighted_Contribution": -0.237878, "FDA_Category_D_Top_Rank": -0.0731297, "FDA_Category_X_L1000_Similarity": 1.72663, "FDA_Category_X_Structural_Similarity": 4.01473, "FDA_Category_X_Weighted_Contribution": 4.13867, "FDA_Category_X_Top_Rank": 0.53959, "FDA_Category_D_and_X_L1000_Similarity": 1.26846, "FDA_Category_D_and_X_Structural_Similarity": 1.65498, "FDA_Category_D_and_X_Weighted_Contribution": 2.27503, "FDA_Category_D_and_X_Top_Rank": -0.000142822, "Placenta_Crossing_L1000_Similarity": 1.87636, "Placenta_Crossing_Structural_Similarity": 0.914257, "Placenta_Crossing_Weighted_Contribution": 1.79294, "Placenta_Crossing_Top_Rank": 0.0163937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=CC(=C1)O", "InChI_key": "ZZPKZRHERLGEKA-UHFFFAOYSA-N" } }, "CID:5073": { "type": "Drug", "properties": { "id": "CID:5073", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5073", "label": "risperidone", "FDA_Category_D_L1000_Similarity": 3.01348, "FDA_Category_D_Structural_Similarity": 2.38178, "FDA_Category_D_Weighted_Contribution": 3.65835, "FDA_Category_D_Top_Rank": 4.31407, "FDA_Category_X_L1000_Similarity": 2.35297, "FDA_Category_X_Structural_Similarity": -0.306219, "FDA_Category_X_Weighted_Contribution": 0.786983, "FDA_Category_X_Top_Rank": 0.0962748, "FDA_Category_D_and_X_L1000_Similarity": 3.31223, "FDA_Category_D_and_X_Structural_Similarity": 1.72521, "FDA_Category_D_and_X_Weighted_Contribution": 3.24581, "FDA_Category_D_and_X_Top_Rank": 6.27677, "Placenta_Crossing_L1000_Similarity": 3.03981, "Placenta_Crossing_Structural_Similarity": 0.0833688, "Placenta_Crossing_Weighted_Contribution": 1.53807, "Placenta_Crossing_Top_Rank": 1.05375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F", "InChI_key": "RAPZEAPATHNIPO-UHFFFAOYSA-N" } }, "CID:5146": { "type": "Drug", "properties": { "id": "CID:5146", "label": "salicyl-alcohol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5146", "FDA_Category_D_L1000_Similarity": 0.525705, "FDA_Category_D_Structural_Similarity": -0.917225, "FDA_Category_D_Weighted_Contribution": -0.621936, "FDA_Category_D_Top_Rank": -0.0846674, "FDA_Category_X_L1000_Similarity": 0.89302, "FDA_Category_X_Structural_Similarity": -0.758159, "FDA_Category_X_Weighted_Contribution": -0.404341, "FDA_Category_X_Top_Rank": -0.0745825, "FDA_Category_D_and_X_L1000_Similarity": 0.724374, "FDA_Category_D_and_X_Structural_Similarity": -1.13711, "FDA_Category_D_and_X_Weighted_Contribution": -0.715497, "FDA_Category_D_and_X_Top_Rank": -0.0805172, "Placenta_Crossing_L1000_Similarity": 0.433262, "Placenta_Crossing_Structural_Similarity": -1.03673, "Placenta_Crossing_Weighted_Contribution": -0.780873, "Placenta_Crossing_Top_Rank": -0.0840012, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5212": { "type": "Drug", "properties": { "id": "CID:5212", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5212", "label": "sildenafil", "ref": "LSM-3797", "FDA_Category_D_L1000_Similarity": 2.16116, "FDA_Category_D_Structural_Similarity": -0.141575, "FDA_Category_D_Weighted_Contribution": 1.03572, "FDA_Category_D_Top_Rank": 0.349023, "FDA_Category_X_L1000_Similarity": 1.2535, "FDA_Category_X_Structural_Similarity": -0.705577, "FDA_Category_X_Weighted_Contribution": -0.195641, "FDA_Category_X_Top_Rank": -0.0615908, "FDA_Category_D_and_X_L1000_Similarity": 2.24362, "FDA_Category_D_and_X_Structural_Similarity": -0.493097, "FDA_Category_D_and_X_Weighted_Contribution": 0.609664, "FDA_Category_D_and_X_Top_Rank": 0.251391, "Placenta_Crossing_L1000_Similarity": 3.13607, "Placenta_Crossing_Structural_Similarity": -0.59517, "Placenta_Crossing_Weighted_Contribution": 0.85958, "Placenta_Crossing_Top_Rank": 1.54251, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C", "InChI_key": "BNRNXUUZRGQAQC-UHFFFAOYSA-N" } }, "CID:5280363": { "type": "Drug", "properties": { "id": "CID:5280363", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280363", "label": "dinoprost", "FDA_Category_D_L1000_Similarity": 0.045816, "FDA_Category_D_Structural_Similarity": -0.63161, "FDA_Category_D_Weighted_Contribution": -0.618479, "FDA_Category_D_Top_Rank": -0.0917875, "FDA_Category_X_L1000_Similarity": -0.332807, "FDA_Category_X_Structural_Similarity": 2.96038, "FDA_Category_X_Weighted_Contribution": 2.85453, "FDA_Category_X_Top_Rank": 0.213486, "FDA_Category_D_and_X_L1000_Similarity": -0.0615764, "FDA_Category_D_and_X_Structural_Similarity": 1.09609, "FDA_Category_D_and_X_Weighted_Contribution": 0.922099, "FDA_Category_D_and_X_Top_Rank": -0.04664, "Placenta_Crossing_L1000_Similarity": 0.658805, "Placenta_Crossing_Structural_Similarity": -0.397462, "Placenta_Crossing_Weighted_Contribution": -0.190879, "Placenta_Crossing_Top_Rank": -0.079814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O", "InChI_key": "PXGPLTODNUVGFL-YNNPMVKQSA-N" } }, "CID:5281222": { "type": "Drug", "properties": { "id": "CID:5281222", "label": "butein", "lsm": "LSM-2378", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281222", "FDA_Category_D_L1000_Similarity": -2.36392, "FDA_Category_D_Structural_Similarity": -0.649279, "FDA_Category_D_Weighted_Contribution": -1.42117, "FDA_Category_D_Top_Rank": -0.0954567, "FDA_Category_X_L1000_Similarity": -0.890661, "FDA_Category_X_Structural_Similarity": -0.538352, "FDA_Category_X_Weighted_Contribution": -0.919792, "FDA_Category_X_Top_Rank": -0.0903275, "FDA_Category_D_and_X_L1000_Similarity": -2.30822, "FDA_Category_D_and_X_Structural_Similarity": -0.805834, "FDA_Category_D_and_X_Weighted_Contribution": -1.4301, "FDA_Category_D_and_X_Top_Rank": -0.0959805, "Placenta_Crossing_L1000_Similarity": -2.27133, "Placenta_Crossing_Structural_Similarity": 0.129035, "Placenta_Crossing_Weighted_Contribution": -0.915251, "Placenta_Crossing_Top_Rank": -0.0793268, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O", "InChI_key": "AYMYWHCQALZEGT-ORCRQEGFSA-N" } }, "CID:5284514": { "type": "Drug", "properties": { "id": "CID:5284514", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284514", "label": "acrivastine", "FDA_Category_D_L1000_Similarity": 0.504043, "FDA_Category_D_Structural_Similarity": 0.511286, "FDA_Category_D_Weighted_Contribution": 0.692535, "FDA_Category_D_Top_Rank": -0.0705969, "FDA_Category_X_L1000_Similarity": 0.41163, "FDA_Category_X_Structural_Similarity": -0.179208, "FDA_Category_X_Weighted_Contribution": -0.0966945, "FDA_Category_X_Top_Rank": -0.0836475, "FDA_Category_D_and_X_L1000_Similarity": 0.559506, "FDA_Category_D_and_X_Structural_Similarity": 0.309114, "FDA_Category_D_and_X_Weighted_Contribution": 0.463936, "FDA_Category_D_and_X_Top_Rank": -0.0792081, "Placenta_Crossing_L1000_Similarity": 1.94423, "Placenta_Crossing_Structural_Similarity": -0.231213, "Placenta_Crossing_Weighted_Contribution": 0.604911, "Placenta_Crossing_Top_Rank": 0.0302909, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC(=N3)C=CC(=O)O", "InChI_key": "PWACSDKDOHSSQD-IUTFFREVSA-N" } }, "CID:5311047": { "type": "Drug", "properties": { "id": "CID:5311047", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311047", "label": "cisapride", "FDA_Category_D_L1000_Similarity": 1.21825, "FDA_Category_D_Structural_Similarity": 2.5682, "FDA_Category_D_Weighted_Contribution": 3.12981, "FDA_Category_D_Top_Rank": 0.142269, "FDA_Category_X_L1000_Similarity": 3.27897, "FDA_Category_X_Structural_Similarity": -0.307987, "FDA_Category_X_Weighted_Contribution": 1.31023, "FDA_Category_X_Top_Rank": 1.08012, "FDA_Category_D_and_X_L1000_Similarity": 2.04592, "FDA_Category_D_and_X_Structural_Similarity": 1.87222, "FDA_Category_D_and_X_Weighted_Contribution": 2.84486, "FDA_Category_D_and_X_Top_Rank": 0.119509, "Placenta_Crossing_L1000_Similarity": 2.37159, "Placenta_Crossing_Structural_Similarity": 0.625781, "Placenta_Crossing_Weighted_Contribution": 1.7539, "Placenta_Crossing_Top_Rank": 0.192791, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F", "InChI_key": "DCSUBABJRXZOMT-RBBKRZOGSA-N" } }, "CID:5311221": { "type": "Drug", "properties": { "id": "CID:5311221", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311221", "label": "latanoprost", "FDA_Category_D_L1000_Similarity": 1.20234, "FDA_Category_D_Structural_Similarity": -0.337319, "FDA_Category_D_Weighted_Contribution": 0.2376, "FDA_Category_D_Top_Rank": -0.0483903, "FDA_Category_X_L1000_Similarity": -1.8609, "FDA_Category_X_Structural_Similarity": 0.935039, "FDA_Category_X_Weighted_Contribution": -0.118536, "FDA_Category_X_Top_Rank": -0.0438775, "FDA_Category_D_and_X_L1000_Similarity": 0.47132, "FDA_Category_D_and_X_Structural_Similarity": 0.236808, "FDA_Category_D_and_X_Weighted_Contribution": 0.341278, "FDA_Category_D_and_X_Top_Rank": -0.0808909, "Placenta_Crossing_L1000_Similarity": 0.791203, "Placenta_Crossing_Structural_Similarity": -0.0595112, "Placenta_Crossing_Weighted_Contribution": 0.186324, "Placenta_Crossing_Top_Rank": -0.0766148, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O", "InChI_key": "GGXICVAJURFBLW-CEYXHVGTSA-N" } }, "CID:5311412": { "type": "Drug", "properties": { "id": "CID:5311412", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311412", "label": "rimexolone", "FDA_Category_D_L1000_Similarity": 0.0273236, "FDA_Category_D_Structural_Similarity": 1.37928, "FDA_Category_D_Weighted_Contribution": 1.33256, "FDA_Category_D_Top_Rank": -0.0287486, "FDA_Category_X_L1000_Similarity": -1.03477, "FDA_Category_X_Structural_Similarity": 2.46937, "FDA_Category_X_Weighted_Contribution": 2.00598, "FDA_Category_X_Top_Rank": 0.107311, "FDA_Category_D_and_X_L1000_Similarity": -0.290687, "FDA_Category_D_and_X_Structural_Similarity": 2.42722, "FDA_Category_D_and_X_Weighted_Contribution": 2.17728, "FDA_Category_D_and_X_Top_Rank": 0.0935951, "Placenta_Crossing_L1000_Similarity": 0.120074, "Placenta_Crossing_Structural_Similarity": 2.03906, "Placenta_Crossing_Weighted_Contribution": 2.03363, "Placenta_Crossing_Top_Rank": 0.0360356, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C", "InChI_key": "QTTRZHGPGKRAFB-OOKHYKNYSA-N" } }, "CID:53302361": { "type": "Drug", "properties": { "id": "CID:53302361", "label": "HG-6-64-01", "lsm": "LSM-6015", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53302361", "FDA_Category_D_L1000_Similarity": 0.374262, "FDA_Category_D_Structural_Similarity": 0.241944, "FDA_Category_D_Weighted_Contribution": 0.332507, "FDA_Category_D_Top_Rank": -0.0787789, "FDA_Category_X_L1000_Similarity": 0.160524, "FDA_Category_X_Structural_Similarity": 0.775609, "FDA_Category_X_Weighted_Contribution": 0.769923, "FDA_Category_X_Top_Rank": -0.0506734, "FDA_Category_D_and_X_L1000_Similarity": 0.371367, "FDA_Category_D_and_X_Structural_Similarity": 0.610549, "FDA_Category_D_and_X_Weighted_Contribution": 0.665959, "FDA_Category_D_and_X_Top_Rank": -0.0704745, "Placenta_Crossing_L1000_Similarity": 0.493279, "Placenta_Crossing_Structural_Similarity": -0.319022, "Placenta_Crossing_Weighted_Contribution": -0.195761, "Placenta_Crossing_Top_Rank": -0.083086, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5382": { "type": "Drug", "properties": { "id": "CID:5382", "label": "tcpobop", "lsm": "LSM-5450", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5382", "FDA_Category_D_L1000_Similarity": 0.861398, "FDA_Category_D_Structural_Similarity": -0.831904, "FDA_Category_D_Weighted_Contribution": -0.399132, "FDA_Category_D_Top_Rank": -0.0731923, "FDA_Category_X_L1000_Similarity": 2.60159, "FDA_Category_X_Structural_Similarity": -0.722408, "FDA_Category_X_Weighted_Contribution": 0.466663, "FDA_Category_X_Top_Rank": 0.217108, "FDA_Category_D_and_X_L1000_Similarity": 1.53259, "FDA_Category_D_and_X_Structural_Similarity": -1.0501, "FDA_Category_D_and_X_Weighted_Contribution": -0.298975, "FDA_Category_D_and_X_Top_Rank": -0.0187283, "Placenta_Crossing_L1000_Similarity": 1.83277, "Placenta_Crossing_Structural_Similarity": 1.18119, "Placenta_Crossing_Weighted_Contribution": 2.04473, "Placenta_Crossing_Top_Rank": 0.00580422, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl", "InChI_key": "BAFKRPOFIYPKBQ-UHFFFAOYSA-N" } }, "CID:54658423": { "type": "Drug", "properties": { "id": "CID:54658423", "label": "SA-1460008", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658423", "FDA_Category_D_L1000_Similarity": 1.32187, "FDA_Category_X_L1000_Similarity": -0.47759, "FDA_Category_D_and_X_L1000_Similarity": 0.994441, "Placenta_Crossing_L1000_Similarity": 0.705863, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54666820": { "type": "Drug", "properties": { "id": "CID:54666820", "label": "SA-1921996", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666820", "FDA_Category_D_L1000_Similarity": -0.949763, "FDA_Category_D_Structural_Similarity": -0.695419, "FDA_Category_D_Weighted_Contribution": -1.04711, "FDA_Category_D_Top_Rank": -0.0958137, "FDA_Category_X_L1000_Similarity": 0.511922, "FDA_Category_X_Structural_Similarity": -0.346023, "FDA_Category_X_Weighted_Contribution": -0.20632, "FDA_Category_X_Top_Rank": -0.0823574, "FDA_Category_D_and_X_L1000_Similarity": -0.663256, "FDA_Category_D_and_X_Structural_Similarity": -0.738676, "FDA_Category_D_and_X_Weighted_Contribution": -0.960703, "FDA_Category_D_and_X_Top_Rank": -0.0955677, "Placenta_Crossing_L1000_Similarity": 0.069888, "Placenta_Crossing_Structural_Similarity": 0.715495, "Placenta_Crossing_Weighted_Contribution": 0.600565, "Placenta_Crossing_Top_Rank": -0.0626321, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54682876": { "type": "Drug", "properties": { "id": "CID:54682876", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54682876", "label": "tasquinimod", "FDA_Category_D_L1000_Similarity": 0.0407004, "FDA_Category_D_Structural_Similarity": -0.437537, "FDA_Category_D_Weighted_Contribution": -0.469609, "FDA_Category_D_Top_Rank": -0.0918255, "FDA_Category_X_L1000_Similarity": 0.752426, "FDA_Category_X_Structural_Similarity": 0.941791, "FDA_Category_X_Weighted_Contribution": 1.29366, "FDA_Category_X_Top_Rank": -0.0436607, "FDA_Category_D_and_X_L1000_Similarity": 0.263584, "FDA_Category_D_and_X_Structural_Similarity": 0.160907, "FDA_Category_D_and_X_Weighted_Contribution": 0.152853, "FDA_Category_D_and_X_Top_Rank": -0.0825658, "Placenta_Crossing_L1000_Similarity": 0.435971, "Placenta_Crossing_Structural_Similarity": 0.288399, "Placenta_Crossing_Weighted_Contribution": 0.352696, "Placenta_Crossing_Top_Rank": -0.0752844, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O", "InChI_key": "ONDYALNGTUAJDX-UHFFFAOYSA-N" } }, "CID:5475586": { "type": "Drug", "properties": { "id": "CID:5475586", "label": "bci-hydrochloride", "lsm": "LSM-4964", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5475586", "FDA_Category_D_L1000_Similarity": -1.69436, "FDA_Category_D_Structural_Similarity": 0.494662, "FDA_Category_D_Weighted_Contribution": -0.536166, "FDA_Category_D_Top_Rank": -0.0711941, "FDA_Category_X_L1000_Similarity": -1.27789, "FDA_Category_X_Structural_Similarity": -0.355397, "FDA_Category_X_Weighted_Contribution": -0.927007, "FDA_Category_X_Top_Rank": -0.0874589, "FDA_Category_D_and_X_L1000_Similarity": -1.84863, "FDA_Category_D_and_X_Structural_Similarity": 0.200849, "FDA_Category_D_and_X_Weighted_Contribution": -0.786843, "FDA_Category_D_and_X_Top_Rank": -0.0816423, "Placenta_Crossing_L1000_Similarity": -2.13722, "Placenta_Crossing_Structural_Similarity": 0.498996, "Placenta_Crossing_Weighted_Contribution": -0.615987, "Placenta_Crossing_Top_Rank": -0.069478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4", "InChI_key": "XJDKPLZUXCIMIS-HKWRFOASSA-N" } }, "CID:5503": { "type": "Drug", "properties": { "id": "CID:5503", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5503", "label": "tolazamide", "FDA_Category_D_L1000_Similarity": 1.65334, "FDA_Category_D_Structural_Similarity": -0.367106, "FDA_Category_D_Weighted_Contribution": 0.476229, "FDA_Category_D_Top_Rank": 0.0297935, "FDA_Category_X_L1000_Similarity": 2.86249, "FDA_Category_X_Structural_Similarity": -0.680444, "FDA_Category_X_Weighted_Contribution": 0.654624, "FDA_Category_X_Top_Rank": 0.394692, "FDA_Category_D_and_X_L1000_Similarity": 2.29449, "FDA_Category_D_and_X_Structural_Similarity": -0.658542, "FDA_Category_D_and_X_Weighted_Contribution": 0.46894, "FDA_Category_D_and_X_Top_Rank": 0.284919, "Placenta_Crossing_L1000_Similarity": 3.14182, "Placenta_Crossing_Structural_Similarity": -0.757124, "Placenta_Crossing_Weighted_Contribution": 0.690612, "Placenta_Crossing_Top_Rank": 1.7066, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2", "InChI_key": "OUDSBRTVNLOZBN-UHFFFAOYSA-N" } }, "CID:5591": { "type": "Drug", "properties": { "id": "CID:5591", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5591", "label": "troglitazone", "FDA_Category_D_L1000_Similarity": 3.33823, "FDA_Category_D_Structural_Similarity": -0.16899, "FDA_Category_D_Weighted_Contribution": 1.75559, "FDA_Category_D_Top_Rank": 14.2528, "FDA_Category_X_L1000_Similarity": 1.99786, "FDA_Category_X_Structural_Similarity": 0.764957, "FDA_Category_X_Weighted_Contribution": 1.79948, "FDA_Category_X_Top_Rank": 0.0115173, "FDA_Category_D_and_X_L1000_Similarity": 3.48432, "FDA_Category_D_and_X_Structural_Similarity": 0.278638, "FDA_Category_D_and_X_Weighted_Contribution": 2.14568, "FDA_Category_D_and_X_Top_Rank": 14.2515, "Placenta_Crossing_L1000_Similarity": 2.83319, "Placenta_Crossing_Structural_Similarity": 0.253292, "Placenta_Crossing_Weighted_Contribution": 1.60757, "Placenta_Crossing_Top_Rank": 0.623644, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C", "InChI_key": "GXPHKUHSUJUWKP-UHFFFAOYSA-N" } }, "CID:564": { "type": "Drug", "properties": { "id": "CID:564", "label": "aminocaproic acid", "lsm": "LSM-5733", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/564", "FDA_Category_D_L1000_Similarity": 0.75929, "FDA_Category_D_Structural_Similarity": 0.991321, "FDA_Category_D_Weighted_Contribution": 1.37703, "FDA_Category_D_Top_Rank": -0.0508332, "FDA_Category_X_L1000_Similarity": 0.950741, "FDA_Category_X_Structural_Similarity": 0.17559, "FDA_Category_X_Weighted_Contribution": 0.54444, "FDA_Category_X_Top_Rank": -0.0729188, "FDA_Category_D_and_X_L1000_Similarity": 0.943236, "FDA_Category_D_and_X_Structural_Similarity": 0.881572, "FDA_Category_D_and_X_Weighted_Contribution": 1.2951, "FDA_Category_D_and_X_Top_Rank": -0.0591788, "Placenta_Crossing_L1000_Similarity": 0.267005, "Placenta_Crossing_Structural_Similarity": 1.1259, "Placenta_Crossing_Weighted_Contribution": 1.14549, "Placenta_Crossing_Top_Rank": -0.0442864, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CCC(=O)O)CCN", "InChI_key": "SLXKOJJOQWFEFD-UHFFFAOYSA-N" } }, "CID:57495783": { "type": "Drug", "properties": { "id": "CID:57495783", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57495783", "label": "deforolimus", "FDA_Category_D_L1000_Similarity": -1.75068, "FDA_Category_D_Structural_Similarity": -0.188695, "FDA_Category_D_Weighted_Contribution": -1.02525, "FDA_Category_D_Top_Rank": -0.0892611, "FDA_Category_X_L1000_Similarity": -1.72354, "FDA_Category_X_Structural_Similarity": 2.33537, "FDA_Category_X_Weighted_Contribution": 1.46997, "FDA_Category_X_Top_Rank": 0.0826783, "FDA_Category_D_and_X_L1000_Similarity": -2.03252, "FDA_Category_D_and_X_Structural_Similarity": 1.11039, "FDA_Category_D_and_X_Weighted_Contribution": -0.159013, "FDA_Category_D_and_X_Top_Rank": -0.0453941, "Placenta_Crossing_L1000_Similarity": -2.54003, "Placenta_Crossing_Structural_Similarity": 0.84742, "Placenta_Crossing_Weighted_Contribution": -0.505993, "Placenta_Crossing_Top_Rank": -0.0574906, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC", "InChI_key": "BUROJSBIWGDYCN-LWCFFJEVSA-N" } }, "CID:5870": { "type": "Drug", "properties": { "id": "CID:5870", "label": "estrone", "lsm": "LSM-1506", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5870", "IDG_ID": "3188", "FDA_Category_D_L1000_Similarity": 2.00932, "FDA_Category_D_Structural_Similarity": 2.16116, "FDA_Category_D_Weighted_Contribution": 3.17035, "FDA_Category_D_Top_Rank": 0.207266, "FDA_Category_X_L1000_Similarity": 1.34667, "FDA_Category_X_Structural_Similarity": 4.01294, "FDA_Category_X_Weighted_Contribution": 4.06624, "FDA_Category_X_Top_Rank": 0.532177, "FDA_Category_D_and_X_L1000_Similarity": 2.14102, "FDA_Category_D_and_X_Structural_Similarity": 3.88071, "FDA_Category_D_and_X_Weighted_Contribution": 3.927, "FDA_Category_D_and_X_Top_Rank": 0.633089, "Placenta_Crossing_L1000_Similarity": 2.63909, "Placenta_Crossing_Structural_Similarity": 0.505915, "Placenta_Crossing_Weighted_Contribution": 1.77052, "Placenta_Crossing_Top_Rank": 0.403042, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O", "InChI_key": "DNXHEGUUPJUMQT-CBZIJGRNSA-N" } }, "CID:60186762": { "type": "Drug", "properties": { "id": "CID:60186762", "label": "SA-1939126", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60186762", "FDA_Category_D_L1000_Similarity": -0.0706122, "FDA_Category_D_Structural_Similarity": -0.324594, "FDA_Category_D_Weighted_Contribution": -0.430821, "FDA_Category_D_Top_Rank": -0.0917965, "FDA_Category_X_L1000_Similarity": -0.672046, "FDA_Category_X_Structural_Similarity": -0.320759, "FDA_Category_X_Weighted_Contribution": -0.685692, "FDA_Category_X_Top_Rank": -0.0868654, "FDA_Category_D_and_X_L1000_Similarity": -0.264951, "FDA_Category_D_and_X_Structural_Similarity": -0.430715, "FDA_Category_D_and_X_Weighted_Contribution": -0.606406, "FDA_Category_D_and_X_Top_Rank": -0.0933095, "Placenta_Crossing_L1000_Similarity": 0.0134298, "Placenta_Crossing_Structural_Similarity": -0.537921, "Placenta_Crossing_Weighted_Contribution": -0.575337, "Placenta_Crossing_Top_Rank": -0.0882539, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:64139": { "type": "Drug", "properties": { "id": "CID:64139", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/64139", "label": "efavirenz", "ref": "LSM-5526", "FDA_Category_D_L1000_Similarity": 2.39832, "FDA_Category_D_Structural_Similarity": -0.765053, "FDA_Category_D_Weighted_Contribution": 0.516122, "FDA_Category_D_Top_Rank": 0.64263, "FDA_Category_X_L1000_Similarity": 1.23825, "FDA_Category_X_Structural_Similarity": 0.0570956, "FDA_Category_X_Weighted_Contribution": 0.572086, "FDA_Category_X_Top_Rank": -0.0624256, "FDA_Category_D_and_X_L1000_Similarity": 2.44343, "FDA_Category_D_and_X_Structural_Similarity": -0.576424, "FDA_Category_D_and_X_Weighted_Contribution": 0.63945, "FDA_Category_D_and_X_Top_Rank": 0.423731, "Placenta_Crossing_L1000_Similarity": 2.84356, "Placenta_Crossing_Structural_Similarity": -1.03541, "Placenta_Crossing_Weighted_Contribution": 0.250445, "Placenta_Crossing_Top_Rank": 0.675213, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F", "InChI_key": "XPOQHMRABVBWPR-ZDUSSCGKSA-N" } }, "CID:644213": { "type": "Drug", "properties": { "id": "CID:644213", "label": "2-chloro-5-nitro-n-phenylbenzamide", "lsm": "LSM-4097", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/644213", "FDA_Category_D_L1000_Similarity": 1.7695, "FDA_Category_D_Structural_Similarity": 1.06458, "FDA_Category_D_Weighted_Contribution": 2.08478, "FDA_Category_D_Top_Rank": 0.0637976, "FDA_Category_X_L1000_Similarity": 1.2888, "FDA_Category_X_Structural_Similarity": -0.297105, "FDA_Category_X_Weighted_Contribution": 0.222493, "FDA_Category_X_Top_Rank": -0.0599318, "FDA_Category_D_and_X_L1000_Similarity": 1.91672, "FDA_Category_D_and_X_Structural_Similarity": 0.684655, "FDA_Category_D_and_X_Weighted_Contribution": 1.66532, "FDA_Category_D_and_X_Top_Rank": 0.0629059, "Placenta_Crossing_L1000_Similarity": 2.22051, "Placenta_Crossing_Structural_Similarity": 1.64874, "Placenta_Crossing_Weighted_Contribution": 2.66934, "Placenta_Crossing_Top_Rank": 0.119135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl", "InChI_key": "DNTSIBUQMRRYIU-UHFFFAOYSA-N" } }, "CID:6442177": { "type": "Drug", "properties": { "id": "CID:6442177", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6442177", "label": "everolimus", "FDA_Category_D_L1000_Similarity": -1.51406, "FDA_Category_D_Structural_Similarity": -0.251995, "FDA_Category_D_Weighted_Contribution": -0.980488, "FDA_Category_D_Top_Rank": -0.0905166, "FDA_Category_X_L1000_Similarity": -0.683365, "FDA_Category_X_Structural_Similarity": 2.70039, "FDA_Category_X_Weighted_Contribution": 2.43567, "FDA_Category_X_Top_Rank": 0.145052, "FDA_Category_D_and_X_L1000_Similarity": -1.51266, "FDA_Category_D_and_X_Structural_Similarity": 1.25711, "FDA_Category_D_and_X_Weighted_Contribution": 0.250419, "FDA_Category_D_and_X_Top_Rank": -0.0347692, "Placenta_Crossing_L1000_Similarity": -1.65046, "Placenta_Crossing_Structural_Similarity": 1.26785, "Placenta_Crossing_Weighted_Contribution": 0.273647, "Placenta_Crossing_Top_Rank": -0.0352168, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC", "InChI_key": "HKVAMNSJSFKALM-GKUWKFKPSA-N" } }, "CID:657255": { "type": "Drug", "properties": { "id": "CID:657255", "label": "suloctidil", "lsm": "LSM-1469", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/657255", "IDG_ID": "2536", "FDA_Category_D_L1000_Similarity": -2.87158, "FDA_Category_D_Structural_Similarity": -0.823326, "FDA_Category_D_Weighted_Contribution": -1.58299, "FDA_Category_D_Top_Rank": -0.0966017, "FDA_Category_X_L1000_Similarity": 0.292522, "FDA_Category_X_Structural_Similarity": -0.606763, "FDA_Category_X_Weighted_Contribution": -0.5299, "FDA_Category_X_Top_Rank": -0.0850276, "FDA_Category_D_and_X_L1000_Similarity": -2.38652, "FDA_Category_D_and_X_Structural_Similarity": -0.980892, "FDA_Category_D_and_X_Weighted_Contribution": -1.50539, "FDA_Category_D_and_X_Top_Rank": -0.0966483, "Placenta_Crossing_L1000_Similarity": -3.59488, "Placenta_Crossing_Structural_Similarity": 1.98266, "Placenta_Crossing_Weighted_Contribution": 0.0113516, "Placenta_Crossing_Top_Rank": 0.0302909, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O", "InChI_key": "BFCDFTHTSVTWOG-YLJYHZDGSA-N" } }, "CID:6726": { "type": "Drug", "properties": { "id": "CID:6726", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6726", "label": "cyclizine", "ref": "LSM-5857", "FDA_Category_D_L1000_Similarity": -0.740678, "FDA_Category_D_Structural_Similarity": -0.641957, "FDA_Category_D_Weighted_Contribution": -0.941904, "FDA_Category_D_Top_Rank": -0.0954144, "FDA_Category_X_L1000_Similarity": 1.81375, "FDA_Category_X_Structural_Similarity": -0.665556, "FDA_Category_X_Weighted_Contribution": 0.114676, "FDA_Category_X_Top_Rank": -0.0173186, "FDA_Category_D_and_X_L1000_Similarity": -0.0876767, "FDA_Category_D_and_X_Structural_Similarity": -0.868661, "FDA_Category_D_and_X_Weighted_Contribution": -0.841052, "FDA_Category_D_and_X_Top_Rank": -0.0928985, "Placenta_Crossing_L1000_Similarity": 1.01017, "Placenta_Crossing_Structural_Similarity": 0.632417, "Placenta_Crossing_Weighted_Contribution": 1.01973, "Placenta_Crossing_Top_Rank": -0.0653694, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "UVKZSORBKUEBAZ-UHFFFAOYSA-N" } }, "CID:68085": { "type": "Drug", "properties": { "id": "CID:68085", "label": "dictamnine", "lsm": "LSM-2642", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68085", "FDA_Category_D_L1000_Similarity": 1.3652, "FDA_Category_D_Structural_Similarity": -0.169547, "FDA_Category_D_Weighted_Contribution": 0.506234, "FDA_Category_D_Top_Rank": -0.0300735, "FDA_Category_X_L1000_Similarity": 1.48105, "FDA_Category_X_Structural_Similarity": 0.812378, "FDA_Category_X_Weighted_Contribution": 1.56158, "FDA_Category_X_Top_Rank": -0.0482895, "FDA_Category_D_and_X_L1000_Similarity": 1.62659, "FDA_Category_D_and_X_Structural_Similarity": 0.303784, "FDA_Category_D_and_X_Weighted_Contribution": 1.08655, "FDA_Category_D_and_X_Top_Rank": -0.00301112, "Placenta_Crossing_L1000_Similarity": 1.83354, "Placenta_Crossing_Structural_Similarity": 0.231731, "Placenta_Crossing_Weighted_Contribution": 1.03807, "Placenta_Crossing_Top_Rank": 0.00600486, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C2C=COC2=NC3=CC=CC=C31", "InChI_key": "WIONIXOBNMDJFJ-UHFFFAOYSA-N" } }, "CID:71721648": { "type": "Drug", "properties": { "id": "CID:71721648", "label": "cep-37440", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71721648", "FDA_Category_D_L1000_Similarity": -3.4042, "FDA_Category_D_Structural_Similarity": -0.226476, "FDA_Category_D_Weighted_Contribution": -1.4902, "FDA_Category_D_Top_Rank": -0.0900451, "FDA_Category_X_L1000_Similarity": 0.777688, "FDA_Category_X_Structural_Similarity": -0.272625, "FDA_Category_X_Weighted_Contribution": -0.00994003, "FDA_Category_X_Top_Rank": -0.0774844, "FDA_Category_D_and_X_L1000_Similarity": -2.69831, "FDA_Category_D_and_X_Structural_Similarity": -0.326864, "FDA_Category_D_and_X_Weighted_Contribution": -1.32824, "FDA_Category_D_and_X_Top_Rank": -0.0920854, "Placenta_Crossing_L1000_Similarity": -2.17851, "Placenta_Crossing_Structural_Similarity": -0.281547, "Placenta_Crossing_Weighted_Contribution": -1.12439, "Placenta_Crossing_Top_Rank": -0.0872097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(CC(CCC4)N5CCN(CC5)CCO)C=C3)OC", "InChI_key": "BCSHRERPHLTPEE-NRFANRHFSA-N" } }, "CID:73707349": { "type": "Drug", "properties": { "id": "CID:73707349", "label": "BG-1003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707349", "FDA_Category_D_L1000_Similarity": 0.115739, "FDA_Category_D_Structural_Similarity": 1.53328, "FDA_Category_D_Weighted_Contribution": 1.55679, "FDA_Category_D_Top_Rank": -0.0132667, "FDA_Category_X_L1000_Similarity": -1.60551, "FDA_Category_X_Structural_Similarity": -0.282015, "FDA_Category_X_Weighted_Contribution": -0.986118, "FDA_Category_X_Top_Rank": -0.0861624, "FDA_Category_D_and_X_L1000_Similarity": -0.387791, "FDA_Category_D_and_X_Structural_Similarity": 1.06481, "FDA_Category_D_and_X_Weighted_Contribution": 0.695945, "FDA_Category_D_and_X_Top_Rank": -0.0491291, "Placenta_Crossing_L1000_Similarity": -0.780239, "Placenta_Crossing_Structural_Similarity": 0.271885, "Placenta_Crossing_Weighted_Contribution": -0.244004, "Placenta_Crossing_Top_Rank": -0.0757926, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707376": { "type": "Drug", "properties": { "id": "CID:73707376", "label": "dc-45-a2", "lsm": "LSM-6274", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707376", "FDA_Category_D_L1000_Similarity": 2.26922, "FDA_Category_D_Structural_Similarity": -0.0523203, "FDA_Category_D_Weighted_Contribution": 1.20254, "FDA_Category_D_Top_Rank": 0.418901, "FDA_Category_X_L1000_Similarity": 0.436792, "FDA_Category_X_Structural_Similarity": -0.3849, "FDA_Category_X_Weighted_Contribution": -0.276235, "FDA_Category_X_Top_Rank": -0.0833108, "FDA_Category_D_and_X_L1000_Similarity": 2.08875, "FDA_Category_D_and_X_Structural_Similarity": -0.249218, "FDA_Category_D_and_X_Weighted_Contribution": 0.773906, "FDA_Category_D_and_X_Top_Rank": 0.14445, "Placenta_Crossing_L1000_Similarity": 1.58151, "Placenta_Crossing_Structural_Similarity": 0.120639, "Placenta_Crossing_Weighted_Contribution": 0.781911, "Placenta_Crossing_Top_Rank": -0.0308102, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C(=C3C(=C2OC)C(CC(C3=O)O)O)O)C4=C1C5C6C(O4)(C7(CO7)C(O5)(O6)C(OC)OC)O", "InChI_key": "CPBAGBXYUGCFGT-CBEGQXPNSA-N" } }, "CID:73707409": { "type": "Drug", "properties": { "id": "CID:73707409", "label": "vinorelbine", "lsm": "LSM-5284", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707409", "IDG_ID": "2827", "FDA_Category_D_L1000_Similarity": -1.13242, "FDA_Category_D_Structural_Similarity": 3.12483, "FDA_Category_D_Weighted_Contribution": 2.44029, "FDA_Category_D_Top_Rank": 0.260309, "FDA_Category_X_L1000_Similarity": 0.989872, "FDA_Category_X_Structural_Similarity": 0.649102, "FDA_Category_X_Weighted_Contribution": 1.0954, "FDA_Category_X_Top_Rank": -0.0558213, "FDA_Category_D_and_X_L1000_Similarity": -0.675559, "FDA_Category_D_and_X_Structural_Similarity": 2.83048, "FDA_Category_D_and_X_Weighted_Contribution": 2.35568, "FDA_Category_D_and_X_Top_Rank": 0.159141, "Placenta_Crossing_L1000_Similarity": -1.49619, "Placenta_Crossing_Structural_Similarity": -0.132573, "Placenta_Crossing_Weighted_Contribution": -0.830852, "Placenta_Crossing_Top_Rank": -0.0848296, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC", "InChI_key": "GBABOYUKABKIAF-JEEMQKELSA-N" } }, "CID:73707613": { "type": "Drug", "properties": { "id": "CID:73707613", "label": "THZ-2-98-01", "lsm": "LSM-5601", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707613", "FDA_Category_D_L1000_Similarity": 2.06908, "FDA_Category_X_L1000_Similarity": 1.59218, "FDA_Category_D_and_X_L1000_Similarity": 2.26708, "Placenta_Crossing_L1000_Similarity": 2.60841, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:833": { "type": "Drug", "properties": { "id": "CID:833", "label": "L-citrulline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/833", "FDA_Category_D_L1000_Similarity": 1.92793, "FDA_Category_D_Structural_Similarity": -0.291086, "FDA_Category_D_Weighted_Contribution": 0.726112, "FDA_Category_D_Top_Rank": 0.144384, "FDA_Category_X_L1000_Similarity": 1.32982, "FDA_Category_X_Structural_Similarity": -0.550133, "FDA_Category_X_Weighted_Contribution": -0.0111296, "FDA_Category_X_Top_Rank": -0.0576399, "FDA_Category_D_and_X_L1000_Similarity": 2.06575, "FDA_Category_D_and_X_Structural_Similarity": -0.527889, "FDA_Category_D_and_X_Weighted_Contribution": 0.471414, "FDA_Category_D_and_X_Top_Rank": 0.127553, "Placenta_Crossing_L1000_Similarity": 2.37969, "Placenta_Crossing_Structural_Similarity": 0.167942, "Placenta_Crossing_Weighted_Contribution": 1.26856, "Placenta_Crossing_Top_Rank": 0.204175, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:872445": { "type": "Drug", "properties": { "id": "CID:872445", "label": "oncrasin-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/872445", "FDA_Category_D_L1000_Similarity": 0.893858, "FDA_Category_D_Structural_Similarity": 0.63686, "FDA_Category_D_Weighted_Contribution": 1.07539, "FDA_Category_D_Top_Rank": -0.0662506, "FDA_Category_X_L1000_Similarity": -2.378, "FDA_Category_X_Structural_Similarity": 1.61709, "FDA_Category_X_Weighted_Contribution": 0.304916, "FDA_Category_X_Top_Rank": -0.000141965, "FDA_Category_D_and_X_L1000_Similarity": 0.0483644, "FDA_Category_D_and_X_Structural_Similarity": 1.37806, "FDA_Category_D_and_X_Weighted_Contribution": 1.28959, "FDA_Category_D_and_X_Top_Rank": -0.025029, "Placenta_Crossing_L1000_Similarity": 0.894575, "Placenta_Crossing_Structural_Similarity": 0.838604, "Placenta_Crossing_Weighted_Contribution": 1.17909, "Placenta_Crossing_Top_Rank": -0.0580075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9811834": { "type": "Drug", "properties": { "id": "CID:9811834", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9811834", "label": "sacubitril", "FDA_Category_D_L1000_Similarity": 0.44274, "FDA_Category_D_Structural_Similarity": -0.0326104, "FDA_Category_D_Weighted_Contribution": 0.0999754, "FDA_Category_D_Top_Rank": -0.0858665, "FDA_Category_X_L1000_Similarity": 0.122527, "FDA_Category_X_Structural_Similarity": -0.165458, "FDA_Category_X_Weighted_Contribution": -0.219506, "FDA_Category_X_Top_Rank": -0.0837897, "FDA_Category_D_and_X_L1000_Similarity": 0.418866, "FDA_Category_D_and_X_Structural_Similarity": -0.115164, "FDA_Category_D_and_X_Weighted_Contribution": -0.0249437, "FDA_Category_D_and_X_Top_Rank": -0.0871685, "Placenta_Crossing_L1000_Similarity": 0.0366042, "Placenta_Crossing_Structural_Similarity": -0.346573, "Placenta_Crossing_Weighted_Contribution": -0.415625, "Placenta_Crossing_Top_Rank": -0.0880805, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O", "InChI_key": "PYNXFZCZUAOOQC-UTKZUKDTSA-N" } }, "CID:9903786": { "type": "Drug", "properties": { "id": "CID:9903786", "label": "tpca-1", "lsm": "LSM-1136", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9903786", "FDA_Category_D_L1000_Similarity": -0.531323, "FDA_Category_D_Structural_Similarity": -0.757255, "FDA_Category_D_Weighted_Contribution": -0.937359, "FDA_Category_D_Top_Rank": -0.0952405, "FDA_Category_X_L1000_Similarity": -0.824417, "FDA_Category_X_Structural_Similarity": -0.135669, "FDA_Category_X_Weighted_Contribution": -0.600863, "FDA_Category_X_Top_Rank": -0.0830815, "FDA_Category_D_and_X_L1000_Similarity": -0.708372, "FDA_Category_D_and_X_Structural_Similarity": -0.67425, "FDA_Category_D_and_X_Weighted_Contribution": -0.9372, "FDA_Category_D_and_X_Top_Rank": -0.0952859, "Placenta_Crossing_L1000_Similarity": -0.621307, "Placenta_Crossing_Structural_Similarity": -0.485575, "Placenta_Crossing_Weighted_Contribution": -0.769849, "Placenta_Crossing_Top_Rank": -0.0895657, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F", "InChI_key": "SAYGKHKXGCPTLX-UHFFFAOYSA-N" } }, "CID:9956637": { "type": "Drug", "properties": { "id": "CID:9956637", "label": "pd-198306", "lsm": "LSM-3974", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9956637", "FDA_Category_D_L1000_Similarity": -1.89419, "FDA_Category_D_Structural_Similarity": 1.75542, "FDA_Category_D_Weighted_Contribution": 0.523278, "FDA_Category_D_Top_Rank": 0.0138208, "FDA_Category_X_L1000_Similarity": -1.38283, "FDA_Category_X_Structural_Similarity": -0.607383, "FDA_Category_X_Weighted_Contribution": -1.11665, "FDA_Category_X_Top_Rank": -0.0911498, "FDA_Category_D_and_X_L1000_Similarity": -2.05277, "FDA_Category_D_and_X_Structural_Similarity": 1.06556, "FDA_Category_D_and_X_Weighted_Contribution": -0.20829, "FDA_Category_D_and_X_Top_Rank": -0.0489768, "Placenta_Crossing_L1000_Similarity": -2.74119, "Placenta_Crossing_Structural_Similarity": -0.880765, "Placenta_Crossing_Weighted_Contribution": -1.5018, "Placenta_Crossing_Top_Rank": -0.0920878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)NOCC3CC3)F)F)F", "InChI_key": "UHAXDAKQGVISBZ-UHFFFAOYSA-N" } }, "CID:10687292": { "type": "Drug", "properties": { "id": "CID:10687292", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10687292", "label": "cytosporone-b", "FDA_Category_D_L1000_Similarity": 1.11892, "FDA_Category_D_Structural_Similarity": 2.29783, "FDA_Category_D_Weighted_Contribution": 2.87515, "FDA_Category_D_Top_Rank": 0.104174, "FDA_Category_X_L1000_Similarity": 0.603382, "FDA_Category_X_Structural_Similarity": 0.0835639, "FDA_Category_X_Weighted_Contribution": 0.261495, "FDA_Category_X_Top_Rank": -0.0776494, "FDA_Category_D_and_X_L1000_Similarity": 1.14777, "FDA_Category_D_and_X_Structural_Similarity": 1.86891, "FDA_Category_D_and_X_Weighted_Contribution": 2.41164, "FDA_Category_D_and_X_Top_Rank": 0.021239, "Placenta_Crossing_L1000_Similarity": 1.85662, "Placenta_Crossing_Structural_Similarity": 1.08113, "Placenta_Crossing_Weighted_Contribution": 1.95531, "Placenta_Crossing_Top_Rank": 0.0104043, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC", "InChI_key": "UVVWQQKSNZLUQA-UHFFFAOYSA-N" } }, "CID:107992": { "type": "Drug", "properties": { "id": "CID:107992", "label": "mk-212", "lsm": "LSM-2443", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107992", "FDA_Category_D_L1000_Similarity": 0.157708, "FDA_Category_D_Structural_Similarity": -0.923653, "FDA_Category_D_Weighted_Contribution": -0.781756, "FDA_Category_D_Top_Rank": -0.090678, "FDA_Category_X_L1000_Similarity": -0.784247, "FDA_Category_X_Structural_Similarity": -0.433265, "FDA_Category_X_Weighted_Contribution": -0.810308, "FDA_Category_X_Top_Rank": -0.0887496, "FDA_Category_D_and_X_L1000_Similarity": -0.102216, "FDA_Category_D_and_X_Structural_Similarity": -0.966903, "FDA_Category_D_and_X_Weighted_Contribution": -0.908352, "FDA_Category_D_and_X_Top_Rank": -0.0929987, "Placenta_Crossing_L1000_Similarity": -0.574598, "Placenta_Crossing_Structural_Similarity": 0.192472, "Placenta_Crossing_Weighted_Contribution": -0.222312, "Placenta_Crossing_Top_Rank": -0.0779544, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=CN=CC(=N2)Cl", "InChI_key": "CJAWPFJGFFNXQI-UHFFFAOYSA-N" } }, "CID:108029": { "type": "Drug", "properties": { "id": "CID:108029", "label": "ru-24969", "lsm": "LSM-1976", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/108029", "FDA_Category_D_L1000_Similarity": 1.47038, "FDA_Category_D_Structural_Similarity": -0.866445, "FDA_Category_D_Weighted_Contribution": -0.118358, "FDA_Category_D_Top_Rank": -0.0154619, "FDA_Category_X_L1000_Similarity": -0.587086, "FDA_Category_X_Structural_Similarity": -0.644683, "FDA_Category_X_Weighted_Contribution": -0.889015, "FDA_Category_X_Top_Rank": -0.0903135, "FDA_Category_D_and_X_L1000_Similarity": 1.0892, "FDA_Category_D_and_X_Structural_Similarity": -1.03558, "FDA_Category_D_and_X_Weighted_Contribution": -0.489132, "FDA_Category_D_and_X_Top_Rank": -0.0634715, "Placenta_Crossing_L1000_Similarity": 1.55571, "Placenta_Crossing_Structural_Similarity": -1.00125, "Placenta_Crossing_Weighted_Contribution": -0.319432, "Placenta_Crossing_Top_Rank": -0.0336334, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=C1)NC=C2C3=CCNCC3", "InChI_key": "KRVMLPUDAOWOGN-UHFFFAOYSA-N" } }, "CID:11228183": { "type": "Drug", "properties": { "id": "CID:11228183", "label": "abt-737", "lsm": "LSM-1180", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11228183", "FDA_Category_D_L1000_Similarity": 0.0676034, "FDA_Category_D_Structural_Similarity": -0.619117, "FDA_Category_D_Weighted_Contribution": -0.599388, "FDA_Category_D_Top_Rank": -0.0915938, "FDA_Category_X_L1000_Similarity": 2.88981, "FDA_Category_X_Structural_Similarity": 3.55833, "FDA_Category_X_Weighted_Contribution": 4.18213, "FDA_Category_X_Top_Rank": 0.418152, "FDA_Category_D_and_X_L1000_Similarity": 0.935856, "FDA_Category_D_and_X_Structural_Similarity": 1.42866, "FDA_Category_D_and_X_Weighted_Contribution": 1.86662, "FDA_Category_D_and_X_Top_Rank": -0.021829, "Placenta_Crossing_L1000_Similarity": 1.12684, "Placenta_Crossing_Structural_Similarity": 1.06376, "Placenta_Crossing_Weighted_Contribution": 1.54869, "Placenta_Crossing_Top_Rank": -0.0472914, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]", "InChI_key": "HPLNQCPCUACXLM-PGUFJCEWSA-N" } }, "CID:11538455": { "type": "Drug", "properties": { "id": "CID:11538455", "label": "quisinostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11538455", "FDA_Category_D_L1000_Similarity": -0.875554, "FDA_Category_D_Structural_Similarity": -0.218533, "FDA_Category_D_Weighted_Contribution": -0.711404, "FDA_Category_D_Top_Rank": -0.0898973, "FDA_Category_X_L1000_Similarity": -1.37976, "FDA_Category_X_Structural_Similarity": -0.412213, "FDA_Category_X_Weighted_Contribution": -0.997103, "FDA_Category_X_Top_Rank": -0.0884237, "FDA_Category_D_and_X_L1000_Similarity": -1.17375, "FDA_Category_D_and_X_Structural_Similarity": -0.395881, "FDA_Category_D_and_X_Weighted_Contribution": -0.926563, "FDA_Category_D_and_X_Top_Rank": -0.0929164, "Placenta_Crossing_L1000_Similarity": -1.71509, "Placenta_Crossing_Structural_Similarity": 0.836832, "Placenta_Crossing_Weighted_Contribution": -0.164275, "Placenta_Crossing_Top_Rank": -0.0580375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NO", "InChI_key": "PAWIYAYFNXQGAP-UHFFFAOYSA-N" } }, "CID:11749858": { "type": "Drug", "properties": { "id": "CID:11749858", "label": "abexinostat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11749858", "FDA_Category_D_L1000_Similarity": -2.0435, "FDA_Category_D_Structural_Similarity": -0.0344455, "FDA_Category_D_Weighted_Contribution": -1.03528, "FDA_Category_D_Top_Rank": -0.0859131, "FDA_Category_X_L1000_Similarity": -1.82943, "FDA_Category_X_Structural_Similarity": -0.424892, "FDA_Category_X_Weighted_Contribution": -1.14023, "FDA_Category_X_Top_Rank": -0.0886339, "FDA_Category_D_and_X_L1000_Similarity": -2.31708, "FDA_Category_D_and_X_Structural_Similarity": -0.25661, "FDA_Category_D_and_X_Weighted_Contribution": -1.20031, "FDA_Category_D_and_X_Top_Rank": -0.0910709, "Placenta_Crossing_L1000_Similarity": -2.14317, "Placenta_Crossing_Structural_Similarity": 1.55944, "Placenta_Crossing_Weighted_Contribution": 0.31516, "Placenta_Crossing_Top_Rank": -0.0157838, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO", "InChI_key": "MAUCONCHVWBMHK-UHFFFAOYSA-N" } }, "CID:119182": { "type": "Drug", "properties": { "id": "CID:119182", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID119182", "label": "clofarabine", "FDA_Category_D_L1000_Similarity": 1.00325, "FDA_Category_D_Structural_Similarity": 3.4234, "FDA_Category_D_Weighted_Contribution": 3.58854, "FDA_Category_D_Top_Rank": 0.338589, "FDA_Category_X_L1000_Similarity": -2.22163, "FDA_Category_X_Structural_Similarity": -0.518925, "FDA_Category_X_Weighted_Contribution": -1.2946, "FDA_Category_X_Top_Rank": -0.0900833, "FDA_Category_D_and_X_L1000_Similarity": 0.190158, "FDA_Category_D_and_X_Structural_Similarity": 2.43719, "FDA_Category_D_and_X_Weighted_Contribution": 2.4404, "FDA_Category_D_and_X_Top_Rank": 0.0956363, "Placenta_Crossing_L1000_Similarity": -2.21823, "Placenta_Crossing_Structural_Similarity": -0.308668, "Placenta_Crossing_Weighted_Contribution": -1.14909, "Placenta_Crossing_Top_Rank": -0.0876164, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)F)Cl)N", "InChI_key": "WDDPHFBMKLOVOX-AYQXTPAHSA-N" } }, "CID:124704": { "type": "Drug", "properties": { "id": "CID:124704", "label": "pyrazinoylguanidine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/124704", "FDA_Category_D_L1000_Similarity": 0.556566, "FDA_Category_D_Structural_Similarity": -0.696478, "FDA_Category_D_Weighted_Contribution": -0.434599, "FDA_Category_D_Top_Rank": -0.0838035, "FDA_Category_X_L1000_Similarity": 0.693326, "FDA_Category_X_Structural_Similarity": -0.720098, "FDA_Category_X_Weighted_Contribution": -0.457213, "FDA_Category_X_Top_Rank": -0.079255, "FDA_Category_D_and_X_L1000_Similarity": 0.690324, "FDA_Category_D_and_X_Structural_Similarity": -0.941366, "FDA_Category_D_and_X_Weighted_Contribution": -0.587953, "FDA_Category_D_and_X_Top_Rank": -0.0814937, "Placenta_Crossing_L1000_Similarity": 1.55615, "Placenta_Crossing_Structural_Similarity": -0.904476, "Placenta_Crossing_Weighted_Contribution": -0.236268, "Placenta_Crossing_Top_Rank": -0.0334007, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:129009918": { "type": "Drug", "properties": { "id": "CID:129009918", "label": "pregnenolone", "lsm": "LSM-1485", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129009918", "FDA_Category_D_L1000_Similarity": 1.55016, "FDA_Category_D_Structural_Similarity": -0.561354, "FDA_Category_D_Weighted_Contribution": 0.217352, "FDA_Category_D_Top_Rank": 0.00281609, "FDA_Category_X_L1000_Similarity": 2.25802, "FDA_Category_X_Structural_Similarity": 1.75073, "FDA_Category_X_Weighted_Contribution": 2.93209, "FDA_Category_X_Top_Rank": 0.0642899, "FDA_Category_D_and_X_L1000_Similarity": 2.02198, "FDA_Category_D_and_X_Structural_Similarity": 0.49913, "FDA_Category_D_and_X_Weighted_Contribution": 1.53197, "FDA_Category_D_and_X_Top_Rank": 0.102757, "Placenta_Crossing_L1000_Similarity": 3.04843, "Placenta_Crossing_Structural_Similarity": 0.0487516, "Placenta_Crossing_Weighted_Contribution": 1.50568, "Placenta_Crossing_Top_Rank": 1.1323, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1355": { "type": "Drug", "properties": { "id": "CID:1355", "label": "m-chlorophenylpiperazine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1355", "FDA_Category_D_L1000_Similarity": 0.822348, "FDA_Category_D_Structural_Similarity": -0.822305, "FDA_Category_D_Weighted_Contribution": -0.410109, "FDA_Category_D_Top_Rank": -0.074858, "FDA_Category_X_L1000_Similarity": 0.121275, "FDA_Category_X_Structural_Similarity": 0.893153, "FDA_Category_X_Weighted_Contribution": 0.879608, "FDA_Category_X_Top_Rank": -0.0457532, "FDA_Category_D_and_X_L1000_Similarity": 0.745709, "FDA_Category_D_and_X_Structural_Similarity": -0.170732, "FDA_Category_D_and_X_Weighted_Contribution": 0.0942742, "FDA_Category_D_and_X_Top_Rank": -0.0796833, "Placenta_Crossing_L1000_Similarity": -0.519661, "Placenta_Crossing_Structural_Similarity": 0.287638, "Placenta_Crossing_Weighted_Contribution": -0.112882, "Placenta_Crossing_Top_Rank": -0.0753236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1)C2=CC(=CC=C2)Cl", "InChI_key": "VHFVKMTVMIZMIK-UHFFFAOYSA-N" } }, "CID:135886612": { "type": "Drug", "properties": { "id": "CID:135886612", "label": "DAC-003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135886612", "FDA_Category_D_L1000_Similarity": 1.101, "FDA_Category_X_L1000_Similarity": -0.255857, "FDA_Category_D_and_X_L1000_Similarity": 0.871375, "Placenta_Crossing_L1000_Similarity": 0.795019, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:151171": { "type": "Drug", "properties": { "id": "CID:151171", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID151171", "label": "conivaptan", "FDA_Category_D_L1000_Similarity": 0.837229, "FDA_Category_D_Structural_Similarity": 0.472559, "FDA_Category_D_Weighted_Contribution": 0.860563, "FDA_Category_D_Top_Rank": -0.0720077, "FDA_Category_X_L1000_Similarity": 0.310349, "FDA_Category_X_Structural_Similarity": -0.392144, "FDA_Category_X_Weighted_Contribution": -0.339284, "FDA_Category_X_Top_Rank": -0.0848238, "FDA_Category_D_and_X_L1000_Similarity": 0.815958, "FDA_Category_D_and_X_Structural_Similarity": 0.163477, "FDA_Category_D_and_X_Weighted_Contribution": 0.462025, "FDA_Category_D_and_X_Top_Rank": -0.0771556, "Placenta_Crossing_L1000_Similarity": 1.42586, "Placenta_Crossing_Structural_Similarity": 0.404828, "Placenta_Crossing_Weighted_Contribution": 1.00172, "Placenta_Crossing_Top_Rank": -0.0464107, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6", "InChI_key": "IKENVDNFQMCRTR-UHFFFAOYSA-N" } }, "CID:15984937": { "type": "Drug", "properties": { "id": "CID:15984937", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15984937", "label": "camicinal", "FDA_Category_D_L1000_Similarity": 0.106271, "FDA_Category_D_Structural_Similarity": 0.109092, "FDA_Category_D_Weighted_Contribution": 0.0467876, "FDA_Category_D_Top_Rank": -0.0823108, "FDA_Category_X_L1000_Similarity": -3.01262, "FDA_Category_X_Structural_Similarity": -0.362368, "FDA_Category_X_Weighted_Contribution": -1.40609, "FDA_Category_X_Top_Rank": -0.0875597, "FDA_Category_D_and_X_L1000_Similarity": -0.823268, "FDA_Category_D_and_X_Structural_Similarity": -0.108945, "FDA_Category_D_and_X_Weighted_Contribution": -0.599893, "FDA_Category_D_and_X_Top_Rank": -0.0884957, "Placenta_Crossing_L1000_Similarity": -1.12175, "Placenta_Crossing_Structural_Similarity": 1.82361, "Placenta_Crossing_Weighted_Contribution": 1.13813, "Placenta_Crossing_Top_Rank": 0.0137811, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC(=CC=C4)F", "InChI_key": "RZKDEGZIFSJVNA-IBGZPJMESA-N" } }, "CID:160355": { "type": "Drug", "properties": { "id": "CID:160355", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID160355", "label": "seliciclib", "FDA_Category_D_L1000_Similarity": 1.63013, "FDA_Category_D_Structural_Similarity": -0.19974, "FDA_Category_D_Weighted_Contribution": 0.637661, "FDA_Category_D_Top_Rank": 0.0219744, "FDA_Category_X_L1000_Similarity": 0.845484, "FDA_Category_X_Structural_Similarity": -0.0200456, "FDA_Category_X_Weighted_Contribution": 0.279749, "FDA_Category_X_Top_Rank": -0.0758014, "FDA_Category_D_and_X_L1000_Similarity": 1.66196, "FDA_Category_D_and_X_Structural_Similarity": -0.169353, "FDA_Category_D_and_X_Weighted_Contribution": 0.607268, "FDA_Category_D_and_X_Top_Rank": 0.00309064, "Placenta_Crossing_L1000_Similarity": 1.9122, "Placenta_Crossing_Structural_Similarity": 1.61941, "Placenta_Crossing_Weighted_Contribution": 2.50486, "Placenta_Crossing_Top_Rank": 0.0230814, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3", "InChI_key": "BTIHMVBBUGXLCJ-OAHLLOKOSA-N" } }, "CID:16211224": { "type": "Drug", "properties": { "id": "CID:16211224", "label": "6-hydroxytropinone", "lsm": "LSM-4457", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16211224", "FDA_Category_D_L1000_Similarity": 0.537447, "FDA_Category_D_Structural_Similarity": 0.667205, "FDA_Category_D_Weighted_Contribution": 0.881233, "FDA_Category_D_Top_Rank": -0.0652782, "FDA_Category_X_L1000_Similarity": 0.40622, "FDA_Category_X_Structural_Similarity": -0.459204, "FDA_Category_X_Weighted_Contribution": -0.356111, "FDA_Category_X_Top_Rank": -0.0837114, "FDA_Category_D_and_X_L1000_Similarity": 0.58665, "FDA_Category_D_and_X_Structural_Similarity": 0.281785, "FDA_Category_D_and_X_Weighted_Contribution": 0.451624, "FDA_Category_D_and_X_Top_Rank": -0.0798156, "Placenta_Crossing_L1000_Similarity": 1.19561, "Placenta_Crossing_Structural_Similarity": -0.774399, "Placenta_Crossing_Weighted_Contribution": -0.281866, "Placenta_Crossing_Top_Rank": -0.0620096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2CC(C1CC(=O)C2)O", "InChI_key": "UOHSTKWPZWFYTF-TVZMIPGPSA-N" } }, "CID:16760027": { "type": "Drug", "properties": { "id": "CID:16760027", "label": "bml-259", "lsm": "LSM-6266", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16760027", "FDA_Category_D_L1000_Similarity": 0.534373, "FDA_Category_D_Structural_Similarity": -0.565391, "FDA_Category_D_Weighted_Contribution": -0.336176, "FDA_Category_D_Top_Rank": -0.084439, "FDA_Category_X_L1000_Similarity": -1.37357, "FDA_Category_X_Structural_Similarity": -0.712501, "FDA_Category_X_Weighted_Contribution": -1.17365, "FDA_Category_X_Top_Rank": -0.0917315, "FDA_Category_D_and_X_L1000_Similarity": 0.0435047, "FDA_Category_D_and_X_Structural_Similarity": -0.833221, "FDA_Category_D_and_X_Weighted_Contribution": -0.768944, "FDA_Category_D_and_X_Top_Rank": -0.0918044, "Placenta_Crossing_L1000_Similarity": -0.23719, "Placenta_Crossing_Structural_Similarity": -0.0725461, "Placenta_Crossing_Weighted_Contribution": -0.303205, "Placenta_Crossing_Top_Rank": -0.0836717, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2", "InChI_key": "IGRZXNLKVUEFDM-UHFFFAOYSA-N" } }, "CID:176158": { "type": "Drug", "properties": { "id": "CID:176158", "label": "sb-216763", "lsm": "LSM-1161", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/176158", "FDA_Category_D_L1000_Similarity": 1.78881, "FDA_Category_D_Structural_Similarity": -0.708803, "FDA_Category_D_Weighted_Contribution": 0.209717, "FDA_Category_D_Top_Rank": 0.0687955, "FDA_Category_X_L1000_Similarity": 1.01242, "FDA_Category_X_Structural_Similarity": 0.42643, "FDA_Category_X_Weighted_Contribution": 0.856237, "FDA_Category_X_Top_Rank": -0.0648568, "FDA_Category_D_and_X_L1000_Similarity": 1.84943, "FDA_Category_D_and_X_Structural_Similarity": -0.332486, "FDA_Category_D_and_X_Weighted_Contribution": 0.547318, "FDA_Category_D_and_X_Top_Rank": 0.0453247, "Placenta_Crossing_L1000_Similarity": 2.08868, "Placenta_Crossing_Structural_Similarity": -0.936826, "Placenta_Crossing_Weighted_Contribution": -0.0223692, "Placenta_Crossing_Top_Rank": 0.0714161, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl", "InChI_key": "JCSGFHVFHSKIJH-UHFFFAOYSA-N" } }, "CID:1918543": { "type": "Drug", "properties": { "id": "CID:1918543", "label": "mw-stk33-2b", "lsm": "LSM-4804", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1918543", "FDA_Category_D_L1000_Similarity": 0.338346, "FDA_Category_D_Structural_Similarity": -0.818407, "FDA_Category_D_Weighted_Contribution": -0.630106, "FDA_Category_D_Top_Rank": -0.0881853, "FDA_Category_X_L1000_Similarity": -1.00965, "FDA_Category_X_Structural_Similarity": -0.018894, "FDA_Category_X_Weighted_Contribution": -0.581628, "FDA_Category_X_Top_Rank": -0.0802341, "FDA_Category_D_and_X_L1000_Similarity": -0.0149545, "FDA_Category_D_and_X_Structural_Similarity": -0.659776, "FDA_Category_D_and_X_Weighted_Contribution": -0.671069, "FDA_Category_D_and_X_Top_Rank": -0.0923177, "Placenta_Crossing_L1000_Similarity": 0.521575, "Placenta_Crossing_Structural_Similarity": -0.391537, "Placenta_Crossing_Weighted_Contribution": -0.246608, "Placenta_Crossing_Top_Rank": -0.0825487, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CNC2=NC(=O)C(=CC3=CC=C(C=C3)O)S2", "InChI_key": "RHKRIBIRDXKLEM-XNTDXEJSSA-N" } }, "CID:1986": { "type": "Drug", "properties": { "id": "CID:1986", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1986", "label": "acetazolamide", "ref": "LSM-5543", "FDA_Category_D_L1000_Similarity": 0.975522, "FDA_Category_D_Structural_Similarity": -0.528439, "FDA_Category_D_Weighted_Contribution": -0.074035, "FDA_Category_D_Top_Rank": -0.066649, "FDA_Category_X_L1000_Similarity": 0.0170617, "FDA_Category_X_Structural_Similarity": -0.756442, "FDA_Category_X_Weighted_Contribution": -0.75385, "FDA_Category_X_Top_Rank": -0.0874934, "FDA_Category_D_and_X_L1000_Similarity": 0.846097, "FDA_Category_D_and_X_Structural_Similarity": -0.827602, "FDA_Category_D_and_X_Weighted_Contribution": -0.432421, "FDA_Category_D_and_X_Top_Rank": -0.0761366, "Placenta_Crossing_L1000_Similarity": 1.56157, "Placenta_Crossing_Structural_Similarity": -0.624406, "Placenta_Crossing_Weighted_Contribution": 0.0196426, "Placenta_Crossing_Top_Rank": -0.0330878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=NN=C(S1)S(=O)(=O)N", "InChI_key": "BZKPWHYZMXOIDC-UHFFFAOYSA-N" } }, "CID:20279": { "type": "Drug", "properties": { "id": "CID:20279", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID20279", "label": "cladribine", "FDA_Category_D_L1000_Similarity": 0.406299, "FDA_Category_D_Structural_Similarity": 4.59051, "FDA_Category_D_Weighted_Contribution": 3.94527, "FDA_Category_D_Top_Rank": 0.87015, "FDA_Category_X_L1000_Similarity": -2.16588, "FDA_Category_X_Structural_Similarity": -0.516284, "FDA_Category_X_Weighted_Contribution": -1.27937, "FDA_Category_X_Top_Rank": -0.0900546, "FDA_Category_D_and_X_L1000_Similarity": -0.307495, "FDA_Category_D_and_X_Structural_Similarity": 3.36496, "FDA_Category_D_and_X_Weighted_Contribution": 2.97768, "FDA_Category_D_and_X_Top_Rank": 0.328674, "Placenta_Crossing_L1000_Similarity": -2.07071, "Placenta_Crossing_Structural_Similarity": 0.217737, "Placenta_Crossing_Weighted_Contribution": -0.791587, "Placenta_Crossing_Top_Rank": -0.0773141, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O", "InChI_key": "PTOAARAWEBMLNO-KVQBGUIXSA-N" } }, "CID:2092": { "type": "Drug", "properties": { "id": "CID:2092", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2092", "label": "alfuzosin", "FDA_Category_D_L1000_Similarity": 0.713125, "FDA_Category_D_Structural_Similarity": 0.174924, "FDA_Category_D_Weighted_Contribution": 0.467362, "FDA_Category_D_Top_Rank": -0.0791751, "FDA_Category_X_L1000_Similarity": 1.2742, "FDA_Category_X_Structural_Similarity": -0.194648, "FDA_Category_X_Weighted_Contribution": 0.321536, "FDA_Category_X_Top_Rank": -0.0607159, "FDA_Category_D_and_X_L1000_Similarity": 1.00168, "FDA_Category_D_and_X_Structural_Similarity": 0.0338078, "FDA_Category_D_and_X_Weighted_Contribution": 0.436082, "FDA_Category_D_and_X_Top_Rank": -0.0690476, "Placenta_Crossing_L1000_Similarity": 1.68968, "Placenta_Crossing_Structural_Similarity": -0.510516, "Placenta_Crossing_Weighted_Contribution": 0.191009, "Placenta_Crossing_Top_Rank": -0.0169009, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC", "InChI_key": "WNMJYKCGWZFFKR-UHFFFAOYSA-N" } }, "CID:2126": { "type": "Drug", "properties": { "id": "CID:2126", "label": "am-580", "lsm": "LSM-2132", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2126", "FDA_Category_D_L1000_Similarity": 1.1553, "FDA_Category_D_Structural_Similarity": -0.0345502, "FDA_Category_D_Weighted_Contribution": 0.518847, "FDA_Category_D_Top_Rank": -0.0530237, "FDA_Category_X_L1000_Similarity": 2.38454, "FDA_Category_X_Structural_Similarity": 1.20196, "FDA_Category_X_Weighted_Contribution": 2.47283, "FDA_Category_X_Top_Rank": 0.107311, "FDA_Category_D_and_X_L1000_Similarity": 1.72003, "FDA_Category_D_and_X_Structural_Similarity": 0.62115, "FDA_Category_D_and_X_Weighted_Contribution": 1.48185, "FDA_Category_D_and_X_Top_Rank": 0.0146175, "Placenta_Crossing_L1000_Similarity": 1.82724, "Placenta_Crossing_Structural_Similarity": -0.570107, "Placenta_Crossing_Weighted_Contribution": 0.200977, "Placenta_Crossing_Top_Rank": 0.00520691, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C", "InChI_key": "SZWKGOZKRMMLAJ-UHFFFAOYSA-N" } }, "CID:2244": { "type": "Drug", "properties": { "id": "CID:2244", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2244", "label": "acetylsalicylic acid", "ref": "LSM-5288", "FDA_Category_D_L1000_Similarity": -0.238542, "FDA_Category_D_Structural_Similarity": -0.083872, "FDA_Category_D_Weighted_Contribution": -0.311507, "FDA_Category_D_Top_Rank": -0.0871806, "FDA_Category_X_L1000_Similarity": 2.4297, "FDA_Category_X_Structural_Similarity": -0.583207, "FDA_Category_X_Weighted_Contribution": 0.524113, "FDA_Category_X_Top_Rank": 0.129736, "FDA_Category_D_and_X_L1000_Similarity": 0.532229, "FDA_Category_D_and_X_Structural_Similarity": -0.381266, "FDA_Category_D_and_X_Weighted_Contribution": -0.206345, "FDA_Category_D_and_X_Top_Rank": -0.0851054, "Placenta_Crossing_L1000_Similarity": 1.71936, "Placenta_Crossing_Structural_Similarity": -0.0823544, "Placenta_Crossing_Weighted_Contribution": 0.641328, "Placenta_Crossing_Top_Rank": -0.0127846, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(=O)OC1=CC=CC=C1C(=O)O", "InChI_key": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N" } }, "CID:2265": { "type": "Drug", "properties": { "id": "CID:2265", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2265", "label": "azathioprine", "FDA_Category_D_L1000_Similarity": 1.60903, "FDA_Category_D_Structural_Similarity": -0.262627, "FDA_Category_D_Weighted_Contribution": 0.558251, "FDA_Category_D_Top_Rank": 0.0157579, "FDA_Category_X_L1000_Similarity": 2.04483, "FDA_Category_X_Structural_Similarity": -0.331495, "FDA_Category_X_Weighted_Contribution": 0.588504, "FDA_Category_X_Top_Rank": 0.0185804, "FDA_Category_D_and_X_L1000_Similarity": 2.00798, "FDA_Category_D_and_X_Structural_Similarity": -0.387324, "FDA_Category_D_and_X_Weighted_Contribution": 0.582419, "FDA_Category_D_and_X_Top_Rank": 0.0984248, "Placenta_Crossing_L1000_Similarity": 2.30741, "Placenta_Crossing_Structural_Similarity": 0.0630162, "Placenta_Crossing_Weighted_Contribution": 1.11547, "Placenta_Crossing_Top_Rank": 0.160754, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]", "InChI_key": "LMEKQMALGUDUQG-UHFFFAOYSA-N" } }, "CID:24951314": { "type": "Drug", "properties": { "id": "CID:24951314", "label": "isox", "lsm": "LSM-4941", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24951314", "FDA_Category_D_L1000_Similarity": -1.01079, "FDA_Category_D_Structural_Similarity": 0.475277, "FDA_Category_D_Weighted_Contribution": -0.218358, "FDA_Category_D_Top_Rank": -0.0719061, "FDA_Category_X_L1000_Similarity": -0.724897, "FDA_Category_X_Structural_Similarity": 0.370857, "FDA_Category_X_Weighted_Contribution": -0.114472, "FDA_Category_X_Top_Rank": -0.067065, "FDA_Category_D_and_X_L1000_Similarity": -1.09145, "FDA_Category_D_and_X_Structural_Similarity": 0.577347, "FDA_Category_D_and_X_Weighted_Contribution": -0.163878, "FDA_Category_D_and_X_Top_Rank": -0.0716498, "Placenta_Crossing_L1000_Similarity": -0.962396, "Placenta_Crossing_Structural_Similarity": -0.364294, "Placenta_Crossing_Weighted_Contribution": -0.804886, "Placenta_Crossing_Top_Rank": -0.0882968, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO", "InChI_key": "WWGBHDIHIVGYLZ-UHFFFAOYSA-N" } }, "CID:25254071": { "type": "Drug", "properties": { "id": "CID:25254071", "label": "apitolisib", "lsm": "LSM-4257", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25254071", "FDA_Category_D_L1000_Similarity": -2.84706, "FDA_Category_D_Structural_Similarity": -0.696899, "FDA_Category_D_Weighted_Contribution": -1.53898, "FDA_Category_D_Top_Rank": -0.0958276, "FDA_Category_X_L1000_Similarity": -0.958907, "FDA_Category_X_Structural_Similarity": -0.405331, "FDA_Category_X_Weighted_Contribution": -0.852276, "FDA_Category_X_Top_Rank": -0.0882893, "FDA_Category_D_and_X_L1000_Similarity": -2.74541, "FDA_Category_D_and_X_Structural_Similarity": -0.771853, "FDA_Category_D_and_X_Weighted_Contribution": -1.50285, "FDA_Category_D_and_X_Top_Rank": -0.0958106, "Placenta_Crossing_L1000_Similarity": -2.28847, "Placenta_Crossing_Structural_Similarity": -0.456673, "Placenta_Crossing_Weighted_Contribution": -1.23986, "Placenta_Crossing_Top_Rank": -0.0893044, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O", "InChI_key": "YOVVNQKCSKSHKT-HNNXBMFYSA-N" } }, "CID:2820381": { "type": "Drug", "properties": { "id": "CID:2820381", "label": "km-03949sc", "lsm": "LSM-4906", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2820381", "FDA_Category_D_L1000_Similarity": -2.32909, "FDA_Category_D_Structural_Similarity": -0.0167705, "FDA_Category_D_Weighted_Contribution": -1.11911, "FDA_Category_D_Top_Rank": -0.0855547, "FDA_Category_X_L1000_Similarity": -2.78122, "FDA_Category_X_Structural_Similarity": -0.168601, "FDA_Category_X_Weighted_Contribution": -1.2592, "FDA_Category_X_Top_Rank": -0.0838671, "FDA_Category_D_and_X_L1000_Similarity": -2.85232, "FDA_Category_D_and_X_Structural_Similarity": -0.104288, "FDA_Category_D_and_X_Weighted_Contribution": -1.26915, "FDA_Category_D_and_X_Top_Rank": -0.0883806, "Placenta_Crossing_L1000_Similarity": -2.67045, "Placenta_Crossing_Structural_Similarity": -0.283642, "Placenta_Crossing_Weighted_Contribution": -1.24961, "Placenta_Crossing_Top_Rank": -0.0872483, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CC(=O)C=C(S1)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C", "InChI_key": "VUUDWEYEOVQVIE-UHFFFAOYSA-N" } }, "CID:3038522": { "type": "Drug", "properties": { "id": "CID:3038522", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3038522", "label": "tandutinib", "FDA_Category_D_L1000_Similarity": 0.876607, "FDA_Category_D_Structural_Similarity": -0.385233, "FDA_Category_D_Weighted_Contribution": 0.00571485, "FDA_Category_D_Top_Rank": -0.0725546, "FDA_Category_X_L1000_Similarity": 5.48952, "FDA_Category_X_Structural_Similarity": -0.344807, "FDA_Category_X_Weighted_Contribution": 2.47985, "FDA_Category_X_Top_Rank": 54.0939, "FDA_Category_D_and_X_L1000_Similarity": 2.42271, "FDA_Category_D_and_X_Structural_Similarity": -0.491821, "FDA_Category_D_and_X_Weighted_Contribution": 0.715684, "FDA_Category_D_and_X_Top_Rank": 0.400626, "Placenta_Crossing_L1000_Similarity": 1.53797, "Placenta_Crossing_Structural_Similarity": -0.499457, "Placenta_Crossing_Weighted_Contribution": 0.127078, "Placenta_Crossing_Top_Rank": -0.0357998, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5", "InChI_key": "UXXQOJXBIDBUAC-UHFFFAOYSA-N" } }, "CID:3103": { "type": "Drug", "properties": { "id": "CID:3103", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3103", "label": "diphenylpyraline", "FDA_Category_D_L1000_Similarity": 1.18618, "FDA_Category_D_Structural_Similarity": 0.947099, "FDA_Category_D_Weighted_Contribution": 1.6008, "FDA_Category_D_Top_Rank": -0.0502066, "FDA_Category_X_L1000_Similarity": -0.171885, "FDA_Category_X_Structural_Similarity": -0.713602, "FDA_Category_X_Weighted_Contribution": -0.79157, "FDA_Category_X_Top_Rank": -0.0886274, "FDA_Category_D_and_X_L1000_Similarity": 0.970308, "FDA_Category_D_and_X_Structural_Similarity": 0.366669, "FDA_Category_D_and_X_Weighted_Contribution": 0.762242, "FDA_Category_D_and_X_Top_Rank": -0.0707311, "Placenta_Crossing_L1000_Similarity": 0.946175, "Placenta_Crossing_Structural_Similarity": -0.775393, "Placenta_Crossing_Weighted_Contribution": -0.388939, "Placenta_Crossing_Top_Rank": -0.0722935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3", "InChI_key": "OWQUZNMMYNAXSL-UHFFFAOYSA-N" } }, "CID:31404": { "type": "Drug", "properties": { "id": "CID:31404", "label": "butylated-hydroxytoluene", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31404", "FDA_Category_D_L1000_Similarity": 0.553008, "FDA_Category_D_Structural_Similarity": 0.488442, "FDA_Category_D_Weighted_Contribution": 0.698753, "FDA_Category_D_Top_Rank": -0.0714583, "FDA_Category_X_L1000_Similarity": 0.435612, "FDA_Category_X_Structural_Similarity": -0.61474, "FDA_Category_X_Weighted_Contribution": -0.477098, "FDA_Category_X_Top_Rank": -0.0833266, "FDA_Category_D_and_X_L1000_Similarity": 0.608989, "FDA_Category_D_and_X_Structural_Similarity": 0.0559714, "FDA_Category_D_and_X_Weighted_Contribution": 0.238853, "FDA_Category_D_and_X_Top_Rank": -0.08323, "Placenta_Crossing_L1000_Similarity": 0.47076, "Placenta_Crossing_Structural_Similarity": 0.983642, "Placenta_Crossing_Weighted_Contribution": 1.10346, "Placenta_Crossing_Top_Rank": -0.0509941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:31703": { "type": "Drug", "properties": { "id": "CID:31703", "label": "doxorubicin", "lsm": "LSM-1622", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/31703", "IDG_ID": "960", "FDA_Category_D_L1000_Similarity": 1.16785, "FDA_Category_X_L1000_Similarity": -2.61047, "FDA_Category_D_and_X_L1000_Similarity": 0.213951, "Placenta_Crossing_L1000_Similarity": -1.92101, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O", "InChI_key": "AOJJSUZBOXZQNB-TZSSRYMLSA-N" } }, "CID:3242": { "type": "Drug", "properties": { "id": "CID:3242", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3242", "label": "epirizole", "FDA_Category_D_L1000_Similarity": 2.10942, "FDA_Category_D_Structural_Similarity": 0.224599, "FDA_Category_D_Weighted_Contribution": 1.40312, "FDA_Category_D_Top_Rank": 0.30126, "FDA_Category_X_L1000_Similarity": 2.33796, "FDA_Category_X_Structural_Similarity": 1.56825, "FDA_Category_X_Weighted_Contribution": 2.80371, "FDA_Category_X_Top_Rank": 0.0895539, "FDA_Category_D_and_X_L1000_Similarity": 2.52836, "FDA_Category_D_and_X_Structural_Similarity": 1.02449, "FDA_Category_D_and_X_Weighted_Contribution": 2.34638, "FDA_Category_D_and_X_Top_Rank": 0.527928, "Placenta_Crossing_L1000_Similarity": 3.08497, "Placenta_Crossing_Structural_Similarity": 0.0952774, "Placenta_Crossing_Weighted_Contribution": 1.57528, "Placenta_Crossing_Top_Rank": 1.36513, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC", "InChI_key": "RHAXSHUQNIEUEY-UHFFFAOYSA-N" } }, "CID:3406": { "type": "Drug", "properties": { "id": "CID:3406", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3406", "label": "fomepizole", "FDA_Category_D_L1000_Similarity": 1.02716, "FDA_Category_D_Structural_Similarity": -0.949734, "FDA_Category_D_Weighted_Contribution": -0.416287, "FDA_Category_D_Top_Rank": -0.0638541, "FDA_Category_X_L1000_Similarity": 1.39784, "FDA_Category_X_Structural_Similarity": -0.73167, "FDA_Category_X_Weighted_Contribution": -0.152559, "FDA_Category_X_Top_Rank": -0.0533955, "FDA_Category_D_and_X_L1000_Similarity": 1.30992, "FDA_Category_D_and_X_Structural_Similarity": -1.14862, "FDA_Category_D_and_X_Weighted_Contribution": -0.48077, "FDA_Category_D_and_X_Top_Rank": -0.0459104, "Placenta_Crossing_L1000_Similarity": 2.31607, "Placenta_Crossing_Structural_Similarity": 1.26132, "Placenta_Crossing_Weighted_Contribution": 2.36291, "Placenta_Crossing_Top_Rank": 0.165809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CNN=C1", "InChI_key": "RIKMMFOAQPJVMX-UHFFFAOYSA-N" } }, "CID:3547": { "type": "Drug", "properties": { "id": "CID:3547", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3547", "label": "fasudil", "ref": "LSM-3715", "FDA_Category_D_L1000_Similarity": 1.5055, "FDA_Category_D_Structural_Similarity": -0.729597, "FDA_Category_D_Weighted_Contribution": 0.0283786, "FDA_Category_D_Top_Rank": -0.00726575, "FDA_Category_X_L1000_Similarity": 1.16925, "FDA_Category_X_Structural_Similarity": -0.602236, "FDA_Category_X_Weighted_Contribution": -0.138387, "FDA_Category_X_Top_Rank": -0.0655498, "FDA_Category_D_and_X_L1000_Similarity": 1.65285, "FDA_Category_D_and_X_Structural_Similarity": -0.904055, "FDA_Category_D_and_X_Weighted_Contribution": -0.113192, "FDA_Category_D_and_X_Top_Rank": 0.00135391, "Placenta_Crossing_L1000_Similarity": 2.97028, "Placenta_Crossing_Structural_Similarity": 2.16834, "Placenta_Crossing_Weighted_Contribution": 3.33573, "Placenta_Crossing_Top_Rank": 0.942976, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3", "InChI_key": "NGOGFTYYXHNFQH-UHFFFAOYSA-N" } }, "CID:3827": { "type": "Drug", "properties": { "id": "CID:3827", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3827", "label": "ketotifen", "ref": "LSM-2637", "FDA_Category_D_L1000_Similarity": 0.526087, "FDA_Category_D_Structural_Similarity": 2.29614, "FDA_Category_D_Weighted_Contribution": 2.57271, "FDA_Category_D_Top_Rank": 0.102688, "FDA_Category_X_L1000_Similarity": 1.66413, "FDA_Category_X_Structural_Similarity": -0.678833, "FDA_Category_X_Weighted_Contribution": 0.0267692, "FDA_Category_X_Top_Rank": -0.0338288, "FDA_Category_D_and_X_L1000_Similarity": 0.958858, "FDA_Category_D_and_X_Structural_Similarity": 1.45618, "FDA_Category_D_and_X_Weighted_Contribution": 1.9079, "FDA_Category_D_and_X_Top_Rank": -0.0194647, "Placenta_Crossing_L1000_Similarity": 1.63867, "Placenta_Crossing_Structural_Similarity": -0.898155, "Placenta_Crossing_Weighted_Contribution": -0.194055, "Placenta_Crossing_Top_Rank": -0.0242525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1", "InChI_key": "ZCVMWBYGMWKGHF-UHFFFAOYSA-N" } }, "CID:3878": { "type": "Drug", "properties": { "id": "CID:3878", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3878", "label": "lamotrigine", "ref": "LSM-4104", "FDA_Category_D_L1000_Similarity": 2.4508, "FDA_Category_D_Structural_Similarity": -0.10212, "FDA_Category_D_Weighted_Contribution": 1.26444, "FDA_Category_D_Top_Rank": 0.794113, "FDA_Category_X_L1000_Similarity": -0.296404, "FDA_Category_X_Structural_Similarity": 0.410939, "FDA_Category_X_Weighted_Contribution": 0.135446, "FDA_Category_X_Top_Rank": -0.0653548, "FDA_Category_D_and_X_L1000_Similarity": 2.02263, "FDA_Category_D_and_X_Structural_Similarity": 0.140687, "FDA_Category_D_and_X_Weighted_Contribution": 1.14963, "FDA_Category_D_and_X_Top_Rank": 0.103498, "Placenta_Crossing_L1000_Similarity": 2.06349, "Placenta_Crossing_Structural_Similarity": 0.224289, "Placenta_Crossing_Weighted_Contribution": 1.15604, "Placenta_Crossing_Top_Rank": 0.0618743, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N", "InChI_key": "PYZRQGJRPPTADH-UHFFFAOYSA-N" } }, "CID:4018512": { "type": "Drug", "properties": { "id": "CID:4018512", "label": "2-phenylmelatonin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4018512", "FDA_Category_D_L1000_Similarity": 1.61926, "FDA_Category_D_Structural_Similarity": -0.842563, "FDA_Category_D_Weighted_Contribution": -0.0154376, "FDA_Category_D_Top_Rank": 0.0193069, "FDA_Category_X_L1000_Similarity": -0.73603, "FDA_Category_X_Structural_Similarity": -0.571563, "FDA_Category_X_Weighted_Contribution": -0.889978, "FDA_Category_X_Top_Rank": -0.090726, "FDA_Category_D_and_X_L1000_Similarity": 1.17231, "FDA_Category_D_and_X_Structural_Similarity": -0.977167, "FDA_Category_D_and_X_Weighted_Contribution": -0.405615, "FDA_Category_D_and_X_Top_Rank": -0.0568868, "Placenta_Crossing_L1000_Similarity": 0.880026, "Placenta_Crossing_Structural_Similarity": -0.586092, "Placenta_Crossing_Weighted_Contribution": -0.257606, "Placenta_Crossing_Top_Rank": -0.0741853, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4018928": { "type": "Drug", "properties": { "id": "CID:4018928", "label": "sulpiride", "lsm": "LSM-5080", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4018928", "IDG_ID": "2537", "FDA_Category_D_L1000_Similarity": 1.90865, "FDA_Category_D_Structural_Similarity": 0.145712, "FDA_Category_D_Weighted_Contribution": 1.18818, "FDA_Category_D_Top_Rank": 0.123839, "FDA_Category_X_L1000_Similarity": -0.391585, "FDA_Category_X_Structural_Similarity": -0.189132, "FDA_Category_X_Weighted_Contribution": -0.467283, "FDA_Category_X_Top_Rank": -0.0843246, "FDA_Category_D_and_X_L1000_Similarity": 1.52637, "FDA_Category_D_and_X_Structural_Similarity": 0.0135987, "FDA_Category_D_and_X_Weighted_Contribution": 0.718788, "FDA_Category_D_and_X_Top_Rank": -0.0199485, "Placenta_Crossing_L1000_Similarity": 1.86029, "Placenta_Crossing_Structural_Similarity": 1.54221, "Placenta_Crossing_Weighted_Contribution": 2.40952, "Placenta_Crossing_Top_Rank": 0.0117303, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCC(C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC", "InChI_key": "IAGQNKXBDXVWPR-UHFFFAOYSA-N" } }, "CID:4062": { "type": "Drug", "properties": { "id": "CID:4062", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4062", "label": "mepivacaine", "FDA_Category_D_L1000_Similarity": 1.00739, "FDA_Category_D_Structural_Similarity": -0.478535, "FDA_Category_D_Weighted_Contribution": -0.0100524, "FDA_Category_D_Top_Rank": -0.064951, "FDA_Category_X_L1000_Similarity": -0.210181, "FDA_Category_X_Structural_Similarity": 0.187817, "FDA_Category_X_Weighted_Contribution": -0.0429353, "FDA_Category_X_Top_Rank": -0.0737684, "FDA_Category_D_and_X_L1000_Similarity": 0.804556, "FDA_Category_D_and_X_Structural_Similarity": -0.278474, "FDA_Category_D_and_X_Weighted_Contribution": 0.0240171, "FDA_Category_D_and_X_Top_Rank": -0.0775465, "Placenta_Crossing_L1000_Similarity": 0.340054, "Placenta_Crossing_Structural_Similarity": 4.6026, "Placenta_Crossing_Weighted_Contribution": 3.86483, "Placenta_Crossing_Top_Rank": 0.722094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C", "InChI_key": "INWLQCZOYSRPNW-UHFFFAOYSA-N" } }, "CID:40632": { "type": "Drug", "properties": { "id": "CID:40632", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID40632", "label": "pirfenidone", "FDA_Category_D_L1000_Similarity": 0.55687, "FDA_Category_D_Structural_Similarity": -0.582044, "FDA_Category_D_Weighted_Contribution": -0.339129, "FDA_Category_D_Top_Rank": -0.083797, "FDA_Category_X_L1000_Similarity": 0.914587, "FDA_Category_X_Structural_Similarity": -0.698582, "FDA_Category_X_Weighted_Contribution": -0.342885, "FDA_Category_X_Top_Rank": -0.0740565, "FDA_Category_D_and_X_L1000_Similarity": 0.757776, "FDA_Category_D_and_X_Structural_Similarity": -0.838928, "FDA_Category_D_and_X_Weighted_Contribution": -0.480629, "FDA_Category_D_and_X_Top_Rank": -0.0792968, "Placenta_Crossing_L1000_Similarity": 0.60203, "Placenta_Crossing_Structural_Similarity": -0.954016, "Placenta_Crossing_Weighted_Contribution": -0.662559, "Placenta_Crossing_Top_Rank": -0.080971, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN(C(=O)C=C1)C2=CC=CC=C2", "InChI_key": "ISWRGOKTTBVCFA-UHFFFAOYSA-N" } }, "CID:4098": { "type": "Drug", "properties": { "id": "CID:4098", "label": "methapyrilene", "lsm": "LSM-5582", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4098", "IDG_ID": "1738", "FDA_Category_D_L1000_Similarity": 0.806959, "FDA_Category_D_Structural_Similarity": -0.645756, "FDA_Category_D_Weighted_Contribution": -0.268022, "FDA_Category_D_Top_Rank": -0.0755241, "FDA_Category_X_L1000_Similarity": 0.846936, "FDA_Category_X_Structural_Similarity": -0.605594, "FDA_Category_X_Weighted_Contribution": -0.290171, "FDA_Category_X_Top_Rank": -0.0757423, "FDA_Category_D_and_X_L1000_Similarity": 0.952805, "FDA_Category_D_and_X_Structural_Similarity": -0.839321, "FDA_Category_D_and_X_Weighted_Contribution": -0.393605, "FDA_Category_D_and_X_Top_Rank": -0.0716326, "Placenta_Crossing_L1000_Similarity": 1.14459, "Placenta_Crossing_Structural_Similarity": -0.916395, "Placenta_Crossing_Weighted_Contribution": -0.421912, "Placenta_Crossing_Top_Rank": -0.064673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2", "InChI_key": "HNJJXZKZRAWDPF-UHFFFAOYSA-N" } }, "CID:4261": { "type": "Drug", "properties": { "id": "CID:4261", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4261", "label": "entinostat", "FDA_Category_D_L1000_Similarity": -1.61663, "FDA_Category_D_Structural_Similarity": -0.706616, "FDA_Category_D_Weighted_Contribution": -1.25739, "FDA_Category_D_Top_Rank": -0.0959003, "FDA_Category_X_L1000_Similarity": -0.724312, "FDA_Category_X_Structural_Similarity": -0.651841, "FDA_Category_X_Weighted_Contribution": -0.939887, "FDA_Category_X_Top_Rank": -0.0907085, "FDA_Category_D_and_X_L1000_Similarity": -1.61352, "FDA_Category_D_and_X_Structural_Similarity": -0.912581, "FDA_Category_D_and_X_Weighted_Contribution": -1.31881, "FDA_Category_D_and_X_Top_Rank": -0.0964235, "Placenta_Crossing_L1000_Similarity": -1.55487, "Placenta_Crossing_Structural_Similarity": -0.751756, "Placenta_Crossing_Weighted_Contribution": -1.20275, "Placenta_Crossing_Top_Rank": -0.0915167, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3", "InChI_key": "INVTYAOGFAGBOE-UHFFFAOYSA-N" } }, "CID:441140": { "type": "Drug", "properties": { "id": "CID:441140", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID441140", "label": "griseofulvin", "FDA_Category_D_L1000_Similarity": 0.0897369, "FDA_Category_D_Structural_Similarity": 1.31227, "FDA_Category_D_Weighted_Contribution": 1.29924, "FDA_Category_D_Top_Rank": -0.0334427, "FDA_Category_X_L1000_Similarity": 1.21144, "FDA_Category_X_Structural_Similarity": -0.375352, "FDA_Category_X_Weighted_Contribution": 0.103413, "FDA_Category_X_Top_Rank": -0.0635864, "FDA_Category_D_and_X_L1000_Similarity": 0.445243, "FDA_Category_D_and_X_Structural_Similarity": 0.83903, "FDA_Category_D_and_X_Weighted_Contribution": 0.950898, "FDA_Category_D_and_X_Top_Rank": -0.0617052, "Placenta_Crossing_L1000_Similarity": 1.39319, "Placenta_Crossing_Structural_Similarity": -0.140323, "Placenta_Crossing_Weighted_Contribution": 0.410286, "Placenta_Crossing_Top_Rank": -0.0491455, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC", "InChI_key": "DDUHZTYCFQRHIY-RBHXEPJQSA-N" } }, "CID:44187": { "type": "Drug", "properties": { "id": "CID:44187", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44187", "label": "cefoperazone", "FDA_Category_D_L1000_Similarity": 2.29116, "FDA_Category_D_Structural_Similarity": 0.369647, "FDA_Category_D_Weighted_Contribution": 1.67581, "FDA_Category_D_Top_Rank": 0.449019, "FDA_Category_X_L1000_Similarity": 2.3491, "FDA_Category_X_Structural_Similarity": 0.22292, "FDA_Category_X_Weighted_Contribution": 1.38509, "FDA_Category_X_Top_Rank": 0.0948924, "FDA_Category_D_and_X_L1000_Similarity": 2.6884, "FDA_Category_D_and_X_Structural_Similarity": 0.41368, "FDA_Category_D_and_X_Weighted_Contribution": 1.8332, "FDA_Category_D_and_X_Top_Rank": 0.823059, "Placenta_Crossing_L1000_Similarity": 2.94631, "Placenta_Crossing_Structural_Similarity": 4.17416, "Placenta_Crossing_Weighted_Contribution": 4.11676, "Placenta_Crossing_Top_Rank": 0.886178, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O", "InChI_key": "GCFBRXLSHGKWDP-XCGNWRKASA-N" } }, "CID:44369694": { "type": "Drug", "properties": { "id": "CID:44369694", "label": "bntx", "lsm": "LSM-1645", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44369694", "FDA_Category_D_L1000_Similarity": -2.61734, "FDA_Category_D_Structural_Similarity": 0.129229, "FDA_Category_D_Weighted_Contribution": -1.13139, "FDA_Category_D_Top_Rank": -0.0817288, "FDA_Category_X_L1000_Similarity": -3.05042, "FDA_Category_X_Structural_Similarity": 2.00117, "FDA_Category_X_Weighted_Contribution": 0.354997, "FDA_Category_X_Top_Rank": 0.0417085, "FDA_Category_D_and_X_L1000_Similarity": -3.18254, "FDA_Category_D_and_X_Structural_Similarity": 1.18239, "FDA_Category_D_and_X_Weighted_Contribution": -0.622898, "FDA_Category_D_and_X_Top_Rank": -0.0404276, "Placenta_Crossing_L1000_Similarity": -3.06137, "Placenta_Crossing_Structural_Similarity": 2.9611, "Placenta_Crossing_Weighted_Contribution": 1.30409, "Placenta_Crossing_Top_Rank": 0.186662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1CN2CCC34C5C(=O)C(=CC6=CC=CC=C6)CC3(C2CC7=C4C(=C(C=C7)O)O5)O", "InChI_key": "WXOUFNFMPVMGFZ-WLNGDWEISA-N" } }, "CID:444795": { "type": "Drug", "properties": { "id": "CID:444795", "label": "tretinoin", "lsm": "LSM-2135", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/444795", "IDG_ID": "2722", "FDA_Category_D_L1000_Similarity": 1.45741, "FDA_Category_X_L1000_Similarity": 2.34149, "FDA_Category_D_and_X_L1000_Similarity": 1.96737, "Placenta_Crossing_L1000_Similarity": 1.86267, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C", "InChI_key": "SHGAZHPCJJPHSC-YCNIQYBTSA-N" } }, "CID:44497649": { "type": "Drug", "properties": { "id": "CID:44497649", "label": "sd-6-035-a8", "lsm": "LSM-6806", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44497649", "FDA_Category_D_L1000_Similarity": 0.636445, "FDA_Category_X_L1000_Similarity": 0.474398, "FDA_Category_D_and_X_L1000_Similarity": 0.692695, "Placenta_Crossing_L1000_Similarity": 1.07996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)C(C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4", "InChI_key": "WIYHORLWMFSPCL-GPYNCYNASA-N" } }, "CID:445319": { "type": "Drug", "properties": { "id": "CID:445319", "label": "s-isopropyl-isothiourea", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/445319", "FDA_Category_D_L1000_Similarity": 1.08797, "FDA_Category_D_Structural_Similarity": -0.975466, "FDA_Category_D_Weighted_Contribution": -0.408141, "FDA_Category_D_Top_Rank": -0.0593969, "FDA_Category_X_L1000_Similarity": 0.209703, "FDA_Category_X_Structural_Similarity": -0.74162, "FDA_Category_X_Weighted_Contribution": -0.670078, "FDA_Category_X_Top_Rank": -0.0858377, "FDA_Category_D_and_X_L1000_Similarity": 1.00153, "FDA_Category_D_and_X_Structural_Similarity": -1.17442, "FDA_Category_D_and_X_Weighted_Contribution": -0.631207, "FDA_Category_D_and_X_Top_Rank": -0.0690677, "Placenta_Crossing_L1000_Similarity": 0.730913, "Placenta_Crossing_Structural_Similarity": -1.09146, "Placenta_Crossing_Weighted_Contribution": -0.714162, "Placenta_Crossing_Top_Rank": -0.0781442, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)SC(=N)N", "InChI_key": "XSSNABKEYXKKMK-UHFFFAOYSA-N" } }, "CID:44629410": { "type": "Drug", "properties": { "id": "CID:44629410", "label": "arg-tc-41", "lsm": "LSM-1256", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44629410", "FDA_Category_D_L1000_Similarity": -0.150861, "FDA_Category_D_Structural_Similarity": -0.337873, "FDA_Category_D_Weighted_Contribution": -0.479666, "FDA_Category_D_Top_Rank": -0.0920331, "FDA_Category_X_L1000_Similarity": 1.50881, "FDA_Category_X_Structural_Similarity": -0.41193, "FDA_Category_X_Weighted_Contribution": 0.217622, "FDA_Category_X_Top_Rank": -0.0463499, "FDA_Category_D_and_X_L1000_Similarity": 0.328151, "FDA_Category_D_and_X_Structural_Similarity": -0.49045, "FDA_Category_D_and_X_Weighted_Contribution": -0.394653, "FDA_Category_D_and_X_Top_Rank": -0.0885836, "Placenta_Crossing_L1000_Similarity": 0.834645, "Placenta_Crossing_Structural_Similarity": -0.660539, "Placenta_Crossing_Weighted_Contribution": -0.340546, "Placenta_Crossing_Top_Rank": -0.0753431, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CCC3=CC=CC=C3)OC", "InChI_key": "OSQKAQCOFUNQAK-UHFFFAOYSA-N" } }, "CID:44640183": { "type": "Drug", "properties": { "id": "CID:44640183", "label": "ku-c104486", "lsm": "LSM-3137", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44640183", "FDA_Category_D_L1000_Similarity": -1.1673, "FDA_Category_D_Structural_Similarity": -0.860997, "FDA_Category_D_Weighted_Contribution": -1.20443, "FDA_Category_D_Top_Rank": -0.0965037, "FDA_Category_X_L1000_Similarity": -2.68237, "FDA_Category_X_Structural_Similarity": -0.583092, "FDA_Category_X_Weighted_Contribution": -1.43003, "FDA_Category_X_Top_Rank": -0.090881, "FDA_Category_D_and_X_L1000_Similarity": -1.82082, "FDA_Category_D_and_X_Structural_Similarity": -0.998019, "FDA_Category_D_and_X_Weighted_Contribution": -1.39988, "FDA_Category_D_and_X_Top_Rank": -0.0966901, "Placenta_Crossing_L1000_Similarity": -2.11588, "Placenta_Crossing_Structural_Similarity": -0.956247, "Placenta_Crossing_Weighted_Contribution": -1.41532, "Placenta_Crossing_Top_Rank": -0.0923362, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=COC=C5)C6=CC=CC=C6", "InChI_key": "SFNWNSAJWDYPJC-UHFFFAOYSA-N" } }, "CID:46843906": { "type": "Drug", "properties": { "id": "CID:46843906", "label": "xmd-1150", "lsm": "LSM-1086", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46843906", "FDA_Category_D_L1000_Similarity": -0.863861, "FDA_Category_D_Structural_Similarity": -0.0298306, "FDA_Category_D_Weighted_Contribution": -0.565825, "FDA_Category_D_Top_Rank": -0.0858197, "FDA_Category_X_L1000_Similarity": -0.869871, "FDA_Category_X_Structural_Similarity": 0.32798, "FDA_Category_X_Weighted_Contribution": -0.222416, "FDA_Category_X_Top_Rank": -0.068573, "FDA_Category_D_and_X_L1000_Similarity": -1.00882, "FDA_Category_D_and_X_Structural_Similarity": 0.1533, "FDA_Category_D_and_X_Weighted_Contribution": -0.479114, "FDA_Category_D_and_X_Top_Rank": -0.0827754, "Placenta_Crossing_L1000_Similarity": -0.973137, "Placenta_Crossing_Structural_Similarity": 1.92787, "Placenta_Crossing_Weighted_Contribution": 1.33233, "Placenta_Crossing_Top_Rank": 0.0236283, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC", "InChI_key": "IWMCPJZTADUIFX-UHFFFAOYSA-N" } }, "CID:5059": { "type": "Drug", "properties": { "id": "CID:5059", "label": "rev-5901", "lsm": "LSM-1734", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5059", "FDA_Category_D_L1000_Similarity": 0.694489, "FDA_Category_D_Structural_Similarity": -0.576723, "FDA_Category_D_Weighted_Contribution": -0.265261, "FDA_Category_D_Top_Rank": -0.0797411, "FDA_Category_X_L1000_Similarity": 0.417394, "FDA_Category_X_Structural_Similarity": 0.972192, "FDA_Category_X_Weighted_Contribution": 1.13709, "FDA_Category_X_Top_Rank": -0.0424368, "FDA_Category_D_and_X_L1000_Similarity": 0.725409, "FDA_Category_D_and_X_Structural_Similarity": 0.066838, "FDA_Category_D_and_X_Weighted_Contribution": 0.31388, "FDA_Category_D_and_X_Top_Rank": -0.0804374, "Placenta_Crossing_L1000_Similarity": 1.69582, "Placenta_Crossing_Structural_Similarity": -0.187424, "Placenta_Crossing_Weighted_Contribution": 0.519439, "Placenta_Crossing_Top_Rank": -0.0159094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O", "InChI_key": "JRLOEMCOOZSCQP-UHFFFAOYSA-N" } }, "CID:5070": { "type": "Drug", "properties": { "id": "CID:5070", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5070", "label": "riluzole", "FDA_Category_D_L1000_Similarity": 2.89849, "FDA_Category_D_Structural_Similarity": -0.0141249, "FDA_Category_D_Weighted_Contribution": 1.64555, "FDA_Category_D_Top_Rank": 2.63133, "FDA_Category_X_L1000_Similarity": -0.024629, "FDA_Category_X_Structural_Similarity": -0.240298, "FDA_Category_X_Weighted_Contribution": -0.353203, "FDA_Category_X_Top_Rank": -0.0853438, "FDA_Category_D_and_X_L1000_Similarity": 2.49107, "FDA_Category_D_and_X_Structural_Similarity": -0.140875, "FDA_Category_D_and_X_Weighted_Contribution": 1.12931, "FDA_Category_D_and_X_Top_Rank": 0.465455, "Placenta_Crossing_L1000_Similarity": 2.96386, "Placenta_Crossing_Structural_Similarity": -0.459394, "Placenta_Crossing_Weighted_Contribution": 0.911432, "Placenta_Crossing_Top_Rank": 0.923329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N", "InChI_key": "FTALBRSUTCGOEG-UHFFFAOYSA-N" } }, "CID:5095": { "type": "Drug", "properties": { "id": "CID:5095", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5095", "label": "ropinirole", "ref": "LSM-2351", "FDA_Category_D_L1000_Similarity": 0.253811, "FDA_Category_D_Structural_Similarity": -0.5257, "FDA_Category_D_Weighted_Contribution": -0.439915, "FDA_Category_D_Top_Rank": -0.0894982, "FDA_Category_X_L1000_Similarity": 1.78623, "FDA_Category_X_Structural_Similarity": -0.369129, "FDA_Category_X_Weighted_Contribution": 0.408051, "FDA_Category_X_Top_Rank": -0.0213108, "FDA_Category_D_and_X_L1000_Similarity": 0.761229, "FDA_Category_D_and_X_Structural_Similarity": -0.616436, "FDA_Category_D_and_X_Weighted_Contribution": -0.297907, "FDA_Category_D_and_X_Top_Rank": -0.0791784, "Placenta_Crossing_L1000_Similarity": 2.36552, "Placenta_Crossing_Structural_Similarity": -0.386435, "Placenta_Crossing_Weighted_Contribution": 0.666245, "Placenta_Crossing_Top_Rank": 0.18517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1", "InChI_key": "UHSKFQJFRQCDBE-UHFFFAOYSA-N" } }, "CID:51003695": { "type": "Drug", "properties": { "id": "CID:51003695", "label": "cvf-sumo-7", "lsm": "LSM-4835", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51003695", "FDA_Category_D_L1000_Similarity": -1.92311, "FDA_Category_D_Structural_Similarity": -0.815574, "FDA_Category_D_Weighted_Contribution": -1.38453, "FDA_Category_D_Top_Rank": -0.0965689, "FDA_Category_X_L1000_Similarity": -1.94259, "FDA_Category_X_Structural_Similarity": -0.507513, "FDA_Category_X_Weighted_Contribution": -1.21699, "FDA_Category_X_Top_Rank": -0.0899363, "FDA_Category_D_and_X_L1000_Similarity": -2.24768, "FDA_Category_D_and_X_Structural_Similarity": -0.921184, "FDA_Category_D_and_X_Weighted_Contribution": -1.45915, "FDA_Category_D_and_X_Top_Rank": -0.0964546, "Placenta_Crossing_L1000_Similarity": -2.00786, "Placenta_Crossing_Structural_Similarity": -0.929021, "Placenta_Crossing_Weighted_Contribution": -1.38332, "Placenta_Crossing_Top_Rank": -0.0922556, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F", "InChI_key": "QKRDBROGGFNXRP-UHFFFAOYSA-N" } }, "CID:51683": { "type": "Drug", "properties": { "id": "CID:51683", "label": "tridolgosir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51683", "FDA_Category_D_L1000_Similarity": 1.22995, "FDA_Category_D_Structural_Similarity": -0.762518, "FDA_Category_D_Weighted_Contribution": -0.151852, "FDA_Category_D_Top_Rank": -0.0455352, "FDA_Category_X_L1000_Similarity": 1.22426, "FDA_Category_X_Structural_Similarity": -0.710624, "FDA_Category_X_Weighted_Contribution": -0.213841, "FDA_Category_X_Top_Rank": -0.0631782, "FDA_Category_D_and_X_L1000_Similarity": 1.43202, "FDA_Category_D_and_X_Structural_Similarity": -0.98867, "FDA_Category_D_and_X_Weighted_Contribution": -0.294711, "FDA_Category_D_and_X_Top_Rank": -0.0329352, "Placenta_Crossing_L1000_Similarity": 1.99557, "Placenta_Crossing_Structural_Similarity": -1.00716, "Placenta_Crossing_Weighted_Contribution": -0.129845, "Placenta_Crossing_Top_Rank": 0.0423174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C2C(C(CN2C1)O)O)O", "InChI_key": "FXUAIOOAOAVCGD-WCTZXXKLSA-N" } }, "CID:5282440": { "type": "Drug", "properties": { "id": "CID:5282440", "label": "ozagrel", "lsm": "LSM-2442", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282440", "IDG_ID": "2043", "FDA_Category_D_L1000_Similarity": 1.52342, "FDA_Category_D_Structural_Similarity": -0.272729, "FDA_Category_D_Weighted_Contribution": 0.495258, "FDA_Category_D_Top_Rank": -0.00326439, "FDA_Category_X_L1000_Similarity": 2.61323, "FDA_Category_X_Structural_Similarity": -0.292336, "FDA_Category_X_Weighted_Contribution": 0.948959, "FDA_Category_X_Top_Rank": 0.232477, "FDA_Category_D_and_X_L1000_Similarity": 2.1068, "FDA_Category_D_and_X_Structural_Similarity": -0.374212, "FDA_Category_D_and_X_Weighted_Contribution": 0.653516, "FDA_Category_D_and_X_Top_Rank": 0.156768, "Placenta_Crossing_L1000_Similarity": 2.34265, "Placenta_Crossing_Structural_Similarity": -0.70862, "Placenta_Crossing_Weighted_Contribution": 0.322803, "Placenta_Crossing_Top_Rank": 0.175147, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O", "InChI_key": "SHZKQBHERIJWAO-AATRIKPKSA-N" } }, "CID:53389": { "type": "Drug", "properties": { "id": "CID:53389", "label": "rimcazole", "lsm": "LSM-5777", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53389", "FDA_Category_D_L1000_Similarity": -0.867081, "FDA_Category_D_Structural_Similarity": -0.813255, "FDA_Category_D_Weighted_Contribution": -1.08638, "FDA_Category_D_Top_Rank": -0.0960719, "FDA_Category_X_L1000_Similarity": 3.38449, "FDA_Category_X_Structural_Similarity": -0.315109, "FDA_Category_X_Weighted_Contribution": 1.36237, "FDA_Category_X_Top_Rank": 1.36668, "FDA_Category_D_and_X_L1000_Similarity": 0.280368, "FDA_Category_D_and_X_Structural_Similarity": -0.815523, "FDA_Category_D_and_X_Weighted_Contribution": -0.664048, "FDA_Category_D_and_X_Top_Rank": -0.0892273, "Placenta_Crossing_L1000_Similarity": -0.583723, "Placenta_Crossing_Structural_Similarity": 0.091248, "Placenta_Crossing_Weighted_Contribution": -0.313387, "Placenta_Crossing_Top_Rank": -0.0802587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC(N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42", "InChI_key": "GUDVQJXODNJRIJ-CALCHBBNSA-N" } }, "CID:5362440": { "type": "Drug", "properties": { "id": "CID:5362440", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5362440", "label": "indinavir", "ref": "LSM-5471", "FDA_Category_D_L1000_Similarity": 2.86704, "FDA_Category_D_Structural_Similarity": 0.128959, "FDA_Category_D_Weighted_Contribution": 1.77906, "FDA_Category_D_Top_Rank": 2.50703, "FDA_Category_X_L1000_Similarity": 1.58274, "FDA_Category_X_Structural_Similarity": -0.319695, "FDA_Category_X_Weighted_Contribution": 0.352449, "FDA_Category_X_Top_Rank": -0.0409771, "FDA_Category_D_and_X_L1000_Similarity": 2.95209, "FDA_Category_D_and_X_Structural_Similarity": -0.0701497, "FDA_Category_D_and_X_Weighted_Contribution": 1.48116, "FDA_Category_D_and_X_Top_Rank": 1.58573, "Placenta_Crossing_L1000_Similarity": 3.32645, "Placenta_Crossing_Structural_Similarity": -0.0381011, "Placenta_Crossing_Weighted_Contribution": 1.56367, "Placenta_Crossing_Top_Rank": 2.60906, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5", "InChI_key": "CBVCZFGXHXORBI-PXQQMZJSSA-N" } }, "CID:5453": { "type": "Drug", "properties": { "id": "CID:5453", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5453", "label": "thiotepa", "FDA_Category_D_L1000_Similarity": 1.01059, "FDA_Category_D_Structural_Similarity": -0.774907, "FDA_Category_D_Weighted_Contribution": -0.276633, "FDA_Category_D_Top_Rank": -0.064798, "FDA_Category_X_L1000_Similarity": -0.307414, "FDA_Category_X_Structural_Similarity": -0.765725, "FDA_Category_X_Weighted_Contribution": -0.876074, "FDA_Category_X_Top_Rank": -0.0893154, "FDA_Category_D_and_X_L1000_Similarity": 0.777792, "FDA_Category_D_and_X_Structural_Similarity": -1.02824, "FDA_Category_D_and_X_Weighted_Contribution": -0.615991, "FDA_Category_D_and_X_Top_Rank": -0.0785681, "Placenta_Crossing_L1000_Similarity": 0.573707, "Placenta_Crossing_Structural_Similarity": -1.13694, "Placenta_Crossing_Weighted_Contribution": -0.80044, "Placenta_Crossing_Top_Rank": -0.0816034, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1CN1P(=S)(N2CC2)N3CC3", "InChI_key": "FOCVUCIESVLUNU-UHFFFAOYSA-N" } }, "CID:54654613": { "type": "Drug", "properties": { "id": "CID:54654613", "label": "SA-1463838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54654613", "FDA_Category_D_L1000_Similarity": 1.43065, "FDA_Category_X_L1000_Similarity": 2.15735, "FDA_Category_D_and_X_L1000_Similarity": 1.88838, "Placenta_Crossing_L1000_Similarity": 0.933238, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54657689": { "type": "Drug", "properties": { "id": "CID:54657689", "label": "SA-1973507", "lsm": "LSM-6829", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657689", "FDA_Category_D_L1000_Similarity": -2.33375, "FDA_Category_X_L1000_Similarity": 0.641832, "FDA_Category_D_and_X_L1000_Similarity": -1.81682, "Placenta_Crossing_L1000_Similarity": -2.69045, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54658744": { "type": "Drug", "properties": { "id": "CID:54658744", "label": "SA-1455938", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658744", "FDA_Category_D_L1000_Similarity": 0.134231, "FDA_Category_D_Structural_Similarity": -0.233267, "FDA_Category_D_Weighted_Contribution": -0.251833, "FDA_Category_D_Top_Rank": -0.0901633, "FDA_Category_X_L1000_Similarity": 0.985161, "FDA_Category_X_Structural_Similarity": -0.24731, "FDA_Category_X_Weighted_Contribution": 0.118323, "FDA_Category_X_Top_Rank": -0.0718194, "FDA_Category_D_and_X_L1000_Similarity": 0.414884, "FDA_Category_D_and_X_Structural_Similarity": -0.318594, "FDA_Category_D_and_X_Weighted_Contribution": -0.20905, "FDA_Category_D_and_X_Top_Rank": -0.0872558, "Placenta_Crossing_L1000_Similarity": 0.641795, "Placenta_Crossing_Structural_Similarity": 0.404545, "Placenta_Crossing_Weighted_Contribution": 0.578852, "Placenta_Crossing_Top_Rank": -0.0723683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54660174": { "type": "Drug", "properties": { "id": "CID:54660174", "label": "SA-1458610", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660174", "FDA_Category_D_L1000_Similarity": 0.303784, "FDA_Category_D_Structural_Similarity": -0.546419, "FDA_Category_D_Weighted_Contribution": -0.432935, "FDA_Category_D_Top_Rank": -0.0887972, "FDA_Category_X_L1000_Similarity": 0.744865, "FDA_Category_X_Structural_Similarity": -0.226647, "FDA_Category_X_Weighted_Contribution": 0.0190607, "FDA_Category_X_Top_Rank": -0.0781542, "FDA_Category_D_and_X_L1000_Similarity": 0.488064, "FDA_Category_D_and_X_Structural_Similarity": -0.555998, "FDA_Category_D_and_X_Weighted_Contribution": -0.374987, "FDA_Category_D_and_X_Top_Rank": -0.0858622, "Placenta_Crossing_L1000_Similarity": 0.958847, "Placenta_Crossing_Structural_Similarity": -0.394455, "Placenta_Crossing_Weighted_Contribution": -0.0508443, "Placenta_Crossing_Top_Rank": -0.071822, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54668813": { "type": "Drug", "properties": { "id": "CID:54668813", "label": "SA-1921816", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54668813", "FDA_Category_D_L1000_Similarity": -0.479737, "FDA_Category_X_L1000_Similarity": 0.0940983, "FDA_Category_D_and_X_L1000_Similarity": -0.384962, "Placenta_Crossing_L1000_Similarity": -0.40102, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54746": { "type": "Drug", "properties": { "id": "CID:54746", "label": "cabergoline", "lsm": "LSM-3939", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54746", "IDG_ID": "460", "FDA_Category_D_L1000_Similarity": -0.277652, "FDA_Category_D_Structural_Similarity": 0.230673, "FDA_Category_D_Weighted_Contribution": -0.0505829, "FDA_Category_D_Top_Rank": -0.0790243, "FDA_Category_X_L1000_Similarity": 2.25981, "FDA_Category_X_Structural_Similarity": 2.63248, "FDA_Category_X_Weighted_Contribution": 3.59788, "FDA_Category_X_Top_Rank": 0.130696, "FDA_Category_D_and_X_L1000_Similarity": 0.446926, "FDA_Category_D_and_X_Structural_Similarity": 1.60356, "FDA_Category_D_and_X_Weighted_Contribution": 1.76438, "FDA_Category_D_and_X_Top_Rank": -0.00539283, "Placenta_Crossing_L1000_Similarity": 2.12709, "Placenta_Crossing_Structural_Similarity": -0.138577, "Placenta_Crossing_Weighted_Contribution": 0.800599, "Placenta_Crossing_Top_Rank": 0.0833777, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C", "InChI_key": "KORNTPPJEAJQIU-KJXAQDMKSA-N" } }, "CID:5482874": { "type": "Drug", "properties": { "id": "CID:5482874", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5482874", "label": "Rifabutin", "FDA_Category_D_L1000_Similarity": 1.26036, "FDA_Category_D_Structural_Similarity": 0.0426571, "FDA_Category_D_Weighted_Contribution": 0.665125, "FDA_Category_D_Top_Rank": -0.0428126, "FDA_Category_X_L1000_Similarity": 1.60119, "FDA_Category_X_Structural_Similarity": -0.409911, "FDA_Category_X_Weighted_Contribution": 0.267559, "FDA_Category_X_Top_Rank": -0.0393754, "FDA_Category_D_and_X_L1000_Similarity": 1.5727, "FDA_Category_D_and_X_Structural_Similarity": -0.187329, "FDA_Category_D_and_X_Weighted_Contribution": 0.537068, "FDA_Category_D_and_X_Top_Rank": -0.011758, "Placenta_Crossing_L1000_Similarity": 1.425, "Placenta_Crossing_Structural_Similarity": -0.306434, "Placenta_Crossing_Weighted_Contribution": 0.25968, "Placenta_Crossing_Top_Rank": -0.04651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5943": { "type": "Drug", "properties": { "id": "CID:5943", "label": "carbon-tetrachloride", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5943", "FDA_Category_D_L1000_Similarity": 2.01192, "FDA_Category_D_Structural_Similarity": -0.959422, "FDA_Category_D_Weighted_Contribution": 0.092317, "FDA_Category_D_Top_Rank": 0.210659, "FDA_Category_X_L1000_Similarity": 2.86389, "FDA_Category_X_Structural_Similarity": -0.725326, "FDA_Category_X_Weighted_Contribution": 0.606059, "FDA_Category_X_Top_Rank": 0.399212, "FDA_Category_D_and_X_L1000_Similarity": 2.60403, "FDA_Category_D_and_X_Structural_Similarity": -1.15289, "FDA_Category_D_and_X_Weighted_Contribution": 0.151104, "FDA_Category_D_and_X_Top_Rank": 0.67288, "Placenta_Crossing_L1000_Similarity": 2.27786, "Placenta_Crossing_Structural_Similarity": -1.10898, "Placenta_Crossing_Weighted_Contribution": -0.0923914, "Placenta_Crossing_Top_Rank": 0.145583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60511": { "type": "Drug", "properties": { "id": "CID:60511", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60511", "label": "remacemide", "FDA_Category_D_L1000_Similarity": 0.195403, "FDA_Category_D_Structural_Similarity": -0.473798, "FDA_Category_D_Weighted_Contribution": -0.425435, "FDA_Category_D_Top_Rank": -0.0902794, "FDA_Category_X_L1000_Similarity": -0.456762, "FDA_Category_X_Structural_Similarity": -0.705793, "FDA_Category_X_Weighted_Contribution": -0.886215, "FDA_Category_X_Top_Rank": -0.0898861, "FDA_Category_D_and_X_L1000_Similarity": 0.0297314, "FDA_Category_D_and_X_Structural_Similarity": -0.756903, "FDA_Category_D_and_X_Weighted_Contribution": -0.721894, "FDA_Category_D_and_X_Top_Rank": -0.0919434, "Placenta_Crossing_L1000_Similarity": 0.809842, "Placenta_Crossing_Structural_Similarity": 0.971464, "Placenta_Crossing_Weighted_Contribution": 1.27627, "Placenta_Crossing_Top_Rank": -0.0515259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN", "InChI_key": "YSGASDXSLKIKOD-UHFFFAOYSA-N" } }, "CID:6445562": { "type": "Drug", "properties": { "id": "CID:6445562", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6445562", "label": "pelitinib", "FDA_Category_D_L1000_Similarity": -0.683034, "FDA_Category_D_Structural_Similarity": -0.703195, "FDA_Category_D_Weighted_Contribution": -0.95889, "FDA_Category_D_Top_Rank": -0.0956885, "FDA_Category_X_L1000_Similarity": -2.54799, "FDA_Category_X_Structural_Similarity": 4.58602, "FDA_Category_X_Weighted_Contribution": 3.28491, "FDA_Category_X_Top_Rank": 0.887345, "FDA_Category_D_and_X_L1000_Similarity": -1.36256, "FDA_Category_D_and_X_Structural_Similarity": 1.91646, "FDA_Category_D_and_X_Weighted_Contribution": 1.01923, "FDA_Category_D_and_X_Top_Rank": 0.0259869, "Placenta_Crossing_L1000_Similarity": -1.42106, "Placenta_Crossing_Structural_Similarity": 0.408883, "Placenta_Crossing_Weighted_Contribution": -0.402592, "Placenta_Crossing_Top_Rank": -0.0722433, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C", "InChI_key": "WVUNYSQLFKLYNI-AATRIKPKSA-N" } }, "CID:6481236": { "type": "Drug", "properties": { "id": "CID:6481236", "label": "PSI-6130", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6481236", "FDA_Category_D_L1000_Similarity": 0.287769, "FDA_Category_D_Structural_Similarity": 0.31956, "FDA_Category_D_Weighted_Contribution": 0.359937, "FDA_Category_D_Top_Rank": -0.0766813, "FDA_Category_X_L1000_Similarity": 0.101142, "FDA_Category_X_Structural_Similarity": -0.727111, "FDA_Category_X_Weighted_Contribution": -0.700482, "FDA_Category_X_Top_Rank": -0.0868404, "FDA_Category_D_and_X_L1000_Similarity": 0.278779, "FDA_Category_D_and_X_Structural_Similarity": -0.138707, "FDA_Category_D_and_X_Weighted_Contribution": -0.117591, "FDA_Category_D_and_X_Top_Rank": -0.0890896, "Placenta_Crossing_L1000_Similarity": 1.2415, "Placenta_Crossing_Structural_Similarity": -0.0518697, "Placenta_Crossing_Weighted_Contribution": 0.421997, "Placenta_Crossing_Top_Rank": -0.0595382, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6505803": { "type": "Drug", "properties": { "id": "CID:6505803", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6505803", "label": "tanespimycin", "FDA_Category_D_L1000_Similarity": -2.85555, "FDA_Category_X_L1000_Similarity": -1.69036, "FDA_Category_D_and_X_L1000_Similarity": -2.97486, "Placenta_Crossing_L1000_Similarity": -2.00725, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC", "InChI_key": "AYUNIORJHRXIBJ-TXHRRWQRSA-N" } }, "CID:6610300": { "type": "Drug", "properties": { "id": "CID:6610300", "label": "dichlorobenzamil", "lsm": "LSM-2270", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610300", "FDA_Category_D_L1000_Similarity": -3.49569, "FDA_Category_D_Structural_Similarity": -0.866248, "FDA_Category_D_Weighted_Contribution": -1.69234, "FDA_Category_D_Top_Rank": -0.0968296, "FDA_Category_X_L1000_Similarity": -0.00426015, "FDA_Category_X_Structural_Similarity": 0.933753, "FDA_Category_X_Weighted_Contribution": 0.854633, "FDA_Category_X_Top_Rank": -0.0439852, "FDA_Category_D_and_X_L1000_Similarity": -3.01464, "FDA_Category_D_and_X_Structural_Similarity": -0.183703, "FDA_Category_D_and_X_Weighted_Contribution": -1.34242, "FDA_Category_D_and_X_Top_Rank": -0.0899548, "Placenta_Crossing_L1000_Similarity": -3.67521, "Placenta_Crossing_Structural_Similarity": 0.0757693, "Placenta_Crossing_Weighted_Contribution": -1.31726, "Placenta_Crossing_Top_Rank": -0.0806249, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)Cl)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N", "InChI_key": "YVELSDDXFCIBLA-UHFFFAOYSA-N" } }, "CID:71317162": { "type": "Drug", "properties": { "id": "CID:71317162", "label": "GSK-1059615", "lsm": "LSM-1173", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71317162", "FDA_Category_D_L1000_Similarity": -2.11108, "FDA_Category_D_Structural_Similarity": -0.730253, "FDA_Category_D_Weighted_Contribution": -1.39458, "FDA_Category_D_Top_Rank": -0.0960745, "FDA_Category_X_L1000_Similarity": -0.538746, "FDA_Category_X_Structural_Similarity": 1.48601, "FDA_Category_X_Weighted_Contribution": 1.1774, "FDA_Category_X_Top_Rank": -0.00941242, "FDA_Category_D_and_X_L1000_Similarity": -1.98339, "FDA_Category_D_and_X_Structural_Similarity": 0.222236, "FDA_Category_D_and_X_Weighted_Contribution": -0.822686, "FDA_Category_D_and_X_Top_Rank": -0.081211, "Placenta_Crossing_L1000_Similarity": -1.11898, "Placenta_Crossing_Structural_Similarity": -0.341265, "Placenta_Crossing_Weighted_Contribution": -0.842235, "Placenta_Crossing_Top_Rank": -0.088022, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:72430": { "type": "Drug", "properties": { "id": "CID:72430", "label": "mdl-28170", "lsm": "LSM-2958", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72430", "FDA_Category_D_L1000_Similarity": 0.124991, "FDA_Category_D_Structural_Similarity": -0.612577, "FDA_Category_D_Weighted_Contribution": -0.568671, "FDA_Category_D_Top_Rank": -0.0910143, "FDA_Category_X_L1000_Similarity": 2.33029, "FDA_Category_X_Structural_Similarity": -0.667364, "FDA_Category_X_Weighted_Contribution": 0.380411, "FDA_Category_X_Top_Rank": 0.0863648, "FDA_Category_D_and_X_L1000_Similarity": 0.815413, "FDA_Category_D_and_X_Structural_Similarity": -0.846318, "FDA_Category_D_and_X_Weighted_Contribution": -0.461002, "FDA_Category_D_and_X_Top_Rank": -0.0771673, "Placenta_Crossing_L1000_Similarity": 1.348, "Placenta_Crossing_Structural_Similarity": -0.923157, "Placenta_Crossing_Weighted_Contribution": -0.342381, "Placenta_Crossing_Top_Rank": -0.0526703, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2", "InChI_key": "NGBKFLTYGSREKK-PMACEKPBSA-N" } }, "CID:73438898": { "type": "Drug", "properties": { "id": "CID:73438898", "label": "CHIR-99021", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73438898", "FDA_Category_D_L1000_Similarity": 2.43796, "FDA_Category_D_Structural_Similarity": 0.413112, "FDA_Category_D_Weighted_Contribution": 1.81399, "FDA_Category_D_Top_Rank": 0.766924, "FDA_Category_X_L1000_Similarity": 0.230172, "FDA_Category_X_Structural_Similarity": -0.665546, "FDA_Category_X_Weighted_Contribution": -0.602576, "FDA_Category_X_Top_Rank": -0.0856505, "FDA_Category_D_and_X_L1000_Similarity": 2.17146, "FDA_Category_D_and_X_Structural_Similarity": -0.0312335, "FDA_Category_D_and_X_Weighted_Contribution": 1.05489, "FDA_Category_D_and_X_Top_Rank": 0.192928, "Placenta_Crossing_L1000_Similarity": 2.10856, "Placenta_Crossing_Structural_Similarity": -0.599699, "Placenta_Crossing_Weighted_Contribution": 0.312953, "Placenta_Crossing_Top_Rank": 0.0769093, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:73707393": { "type": "Drug", "properties": { "id": "CID:73707393", "label": "gp-42", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707393", "FDA_Category_D_L1000_Similarity": -2.65276, "FDA_Category_X_L1000_Similarity": -1.40751, "FDA_Category_D_and_X_L1000_Similarity": -2.71415, "Placenta_Crossing_L1000_Similarity": -2.01068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C(CC=CC2=O)C3=CN=CC=C3", "InChI_key": "NOGYLJPOBZIXGR-MDZDMXLPSA-N" } }, "CID:73707394": { "type": "Drug", "properties": { "id": "CID:73707394", "label": "sa-1447005", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707394", "FDA_Category_D_L1000_Similarity": -2.41362, "FDA_Category_D_Structural_Similarity": -0.00991783, "FDA_Category_D_Weighted_Contribution": -1.14196, "FDA_Category_D_Top_Rank": -0.0854137, "FDA_Category_X_L1000_Similarity": -1.94015, "FDA_Category_X_Structural_Similarity": 1.18304, "FDA_Category_X_Weighted_Contribution": 0.0846828, "FDA_Category_X_Top_Rank": -0.0297095, "FDA_Category_D_and_X_L1000_Similarity": -2.66977, "FDA_Category_D_and_X_Structural_Similarity": 0.630493, "FDA_Category_D_and_X_Weighted_Contribution": -0.807232, "FDA_Category_D_and_X_Top_Rank": -0.0696214, "Placenta_Crossing_L1000_Similarity": -2.32078, "Placenta_Crossing_Structural_Similarity": 0.195761, "Placenta_Crossing_Weighted_Contribution": -0.889061, "Placenta_Crossing_Top_Rank": -0.0778233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C(CC=CC2=O)C3CCCCC3", "InChI_key": "JEMWIYVPLBOCIZ-OUKQBFOZSA-N" } }, "CID:771910": { "type": "Drug", "properties": { "id": "CID:771910", "label": "ITSA-1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/771910", "FDA_Category_D_L1000_Similarity": -0.804017, "FDA_Category_D_Structural_Similarity": -0.441435, "FDA_Category_D_Weighted_Contribution": -0.836632, "FDA_Category_D_Top_Rank": -0.0934562, "FDA_Category_X_L1000_Similarity": -0.643703, "FDA_Category_X_Structural_Similarity": -0.747429, "FDA_Category_X_Weighted_Contribution": -0.975923, "FDA_Category_X_Top_Rank": -0.0904896, "FDA_Category_D_and_X_L1000_Similarity": -0.888554, "FDA_Category_D_and_X_Structural_Similarity": -0.753683, "FDA_Category_D_and_X_Weighted_Contribution": -1.04222, "FDA_Category_D_and_X_Top_Rank": -0.0957174, "Placenta_Crossing_L1000_Similarity": -0.0985245, "Placenta_Crossing_Structural_Similarity": -1.0627, "Placenta_Crossing_Weighted_Contribution": -0.96994, "Placenta_Crossing_Top_Rank": -0.0889838, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:774": { "type": "Drug", "properties": { "id": "CID:774", "label": "histamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/774", "IDG_ID": "1375", "FDA_Category_D_L1000_Similarity": 0.567161, "FDA_Category_D_Structural_Similarity": -0.755125, "FDA_Category_D_Weighted_Contribution": -0.477089, "FDA_Category_D_Top_Rank": -0.0835598, "FDA_Category_X_L1000_Similarity": 0.0557207, "FDA_Category_X_Structural_Similarity": -0.531858, "FDA_Category_X_Weighted_Contribution": -0.5654, "FDA_Category_X_Top_Rank": -0.087196, "FDA_Category_D_and_X_L1000_Similarity": 0.505828, "FDA_Category_D_and_X_Structural_Similarity": -0.886341, "FDA_Category_D_and_X_Weighted_Contribution": -0.623745, "FDA_Category_D_and_X_Top_Rank": -0.0855214, "Placenta_Crossing_L1000_Similarity": -0.706034, "Placenta_Crossing_Structural_Similarity": -0.834875, "Placenta_Crossing_Weighted_Contribution": -1.01726, "Placenta_Crossing_Top_Rank": -0.0913202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(NC=N1)CCN", "InChI_key": "NTYJJOPFIAHURM-UHFFFAOYSA-N" } }, "CID:8249": { "type": "Drug", "properties": { "id": "CID:8249", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID8249", "label": "phenformin", "FDA_Category_D_L1000_Similarity": -1.23538, "FDA_Category_D_Structural_Similarity": -0.880849, "FDA_Category_D_Weighted_Contribution": -1.23387, "FDA_Category_D_Top_Rank": -0.0965666, "FDA_Category_X_L1000_Similarity": 1.13213, "FDA_Category_X_Structural_Similarity": 0.654651, "FDA_Category_X_Weighted_Contribution": 1.18282, "FDA_Category_X_Top_Rank": -0.0556238, "FDA_Category_D_and_X_L1000_Similarity": -0.72111, "FDA_Category_D_and_X_Structural_Similarity": -0.345895, "FDA_Category_D_and_X_Weighted_Contribution": -0.728756, "FDA_Category_D_and_X_Top_Rank": -0.0923006, "Placenta_Crossing_L1000_Similarity": 0.845818, "Placenta_Crossing_Structural_Similarity": 0.191487, "Placenta_Crossing_Weighted_Contribution": 0.465579, "Placenta_Crossing_Top_Rank": -0.0751165, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCN=C(N)N=C(N)N", "InChI_key": "ICFJFFQQTFMIBG-UHFFFAOYSA-N" } }, "CID:9813758": { "type": "Drug", "properties": { "id": "CID:9813758", "label": "bms-345541", "lsm": "LSM-1028", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9813758", "FDA_Category_D_L1000_Similarity": 0.73302, "FDA_Category_D_Structural_Similarity": -0.0676325, "FDA_Category_D_Weighted_Contribution": 0.232481, "FDA_Category_D_Top_Rank": -0.0785285, "FDA_Category_X_L1000_Similarity": -0.274918, "FDA_Category_X_Structural_Similarity": -0.676922, "FDA_Category_X_Weighted_Contribution": -0.802279, "FDA_Category_X_Top_Rank": -0.0891567, "FDA_Category_D_and_X_L1000_Similarity": 0.548388, "FDA_Category_D_and_X_Structural_Similarity": -0.418945, "FDA_Category_D_and_X_Weighted_Contribution": -0.231166, "FDA_Category_D_and_X_Top_Rank": -0.0847336, "Placenta_Crossing_L1000_Similarity": 0.814098, "Placenta_Crossing_Structural_Similarity": -0.649931, "Placenta_Crossing_Weighted_Contribution": -0.340391, "Placenta_Crossing_Top_Rank": -0.0759046, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN", "InChI_key": "PSPFQEBFYXJZEV-UHFFFAOYSA-N" } }, "CID:10219": { "type": "Drug", "properties": { "id": "CID:10219", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10219", "label": "emetine", "FDA_Category_D_L1000_Similarity": 0.263105, "FDA_Category_D_Structural_Similarity": 0.378767, "FDA_Category_D_Weighted_Contribution": 0.405753, "FDA_Category_D_Top_Rank": -0.0749827, "FDA_Category_X_L1000_Similarity": -1.10286, "FDA_Category_X_Structural_Similarity": -0.687511, "FDA_Category_X_Weighted_Contribution": -1.08133, "FDA_Category_X_Top_Rank": -0.0914195, "FDA_Category_D_and_X_L1000_Similarity": -0.108119, "FDA_Category_D_and_X_Structural_Similarity": -0.0703458, "FDA_Category_D_and_X_Weighted_Contribution": -0.247888, "FDA_Category_D_and_X_Top_Rank": -0.0877233, "Placenta_Crossing_L1000_Similarity": 0.368146, "Placenta_Crossing_Structural_Similarity": -0.715366, "Placenta_Crossing_Weighted_Contribution": -0.573436, "Placenta_Crossing_Top_Rank": -0.0848531, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC", "InChI_key": "AUVVAXYIELKVAI-CKBKHPSWSA-N" } }, "CID:10219702": { "type": "Drug", "properties": { "id": "CID:10219702", "label": "2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one", "lsm": "LSM-4130", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10219702", "FDA_Category_D_L1000_Similarity": 1.2621, "FDA_Category_D_Structural_Similarity": -0.887494, "FDA_Category_D_Weighted_Contribution": -0.246371, "FDA_Category_D_Top_Rank": -0.042622, "FDA_Category_X_L1000_Similarity": 2.40762, "FDA_Category_X_Structural_Similarity": -0.237713, "FDA_Category_X_Weighted_Contribution": 0.894503, "FDA_Category_X_Top_Rank": 0.117086, "FDA_Category_D_and_X_L1000_Similarity": 1.8191, "FDA_Category_D_and_X_Structural_Similarity": -0.832685, "FDA_Category_D_and_X_Weighted_Contribution": 0.0375591, "FDA_Category_D_and_X_Top_Rank": 0.0366609, "Placenta_Crossing_L1000_Similarity": 2.65442, "Placenta_Crossing_Structural_Similarity": 0.610535, "Placenta_Crossing_Weighted_Contribution": 1.88756, "Placenta_Crossing_Top_Rank": 0.42738, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=O)C2=C(N1)CCSC2", "InChI_key": "HRYKZAKEAVZGJD-UHFFFAOYSA-N" } }, "CID:10291556": { "type": "Drug", "properties": { "id": "CID:10291556", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10291556", "label": "meloxicam", "FDA_Category_D_L1000_Similarity": 1.91355, "FDA_Category_D_Structural_Similarity": 1.9604, "FDA_Category_D_Weighted_Contribution": 2.97784, "FDA_Category_D_Top_Rank": 0.126563, "FDA_Category_X_L1000_Similarity": 0.635596, "FDA_Category_X_Structural_Similarity": -0.747371, "FDA_Category_X_Weighted_Contribution": -0.504262, "FDA_Category_X_Top_Rank": -0.08048, "FDA_Category_D_and_X_L1000_Similarity": 1.84254, "FDA_Category_D_and_X_Structural_Similarity": 1.15272, "FDA_Category_D_and_X_Weighted_Contribution": 2.10029, "FDA_Category_D_and_X_Top_Rank": 0.0423198, "Placenta_Crossing_L1000_Similarity": 2.38085, "Placenta_Crossing_Structural_Similarity": 2.60367, "Placenta_Crossing_Weighted_Contribution": 3.41741, "Placenta_Crossing_Top_Rank": 0.205875, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=C(S1)NC(=O)C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C", "InChI_key": "ZAHQBPYQBHTECE-UHFFFAOYSA-N" } }, "CID:10322450": { "type": "Drug", "properties": { "id": "CID:10322450", "label": "ko-143", "lsm": "LSM-6260", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10322450", "FDA_Category_D_L1000_Similarity": -0.798555, "FDA_Category_D_Structural_Similarity": -0.201472, "FDA_Category_D_Weighted_Contribution": -0.666296, "FDA_Category_D_Top_Rank": -0.0895079, "FDA_Category_X_L1000_Similarity": -1.31277, "FDA_Category_X_Structural_Similarity": 1.49407, "FDA_Category_X_Weighted_Contribution": 0.748993, "FDA_Category_X_Top_Rank": -0.00912209, "FDA_Category_D_and_X_L1000_Similarity": -1.08703, "FDA_Category_D_and_X_Structural_Similarity": 0.646281, "FDA_Category_D_and_X_Weighted_Contribution": -0.100209, "FDA_Category_D_and_X_Top_Rank": -0.0692079, "Placenta_Crossing_L1000_Similarity": -0.99241, "Placenta_Crossing_Structural_Similarity": -0.220659, "Placenta_Crossing_Weighted_Contribution": -0.716602, "Placenta_Crossing_Top_Rank": -0.0862205, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC", "InChI_key": "NXNRAECHCJZNRF-JBACZVJFSA-N" } }, "CID:121878": { "type": "Drug", "properties": { "id": "CID:121878", "label": "y-26763", "lsm": "LSM-2992", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/121878", "FDA_Category_D_L1000_Similarity": 1.14131, "FDA_Category_D_Structural_Similarity": -0.0411339, "FDA_Category_D_Weighted_Contribution": 0.503425, "FDA_Category_D_Top_Rank": -0.0544675, "FDA_Category_X_L1000_Similarity": 0.0651426, "FDA_Category_X_Structural_Similarity": -0.483361, "FDA_Category_X_Weighted_Contribution": -0.521991, "FDA_Category_X_Top_Rank": -0.0871076, "FDA_Category_D_and_X_L1000_Similarity": 1.00362, "FDA_Category_D_and_X_Structural_Similarity": -0.293468, "FDA_Category_D_and_X_Weighted_Contribution": 0.115026, "FDA_Category_D_and_X_Top_Rank": -0.0689061, "Placenta_Crossing_L1000_Similarity": 0.351383, "Placenta_Crossing_Structural_Similarity": -0.464918, "Placenta_Crossing_Weighted_Contribution": -0.381744, "Placenta_Crossing_Top_Rank": -0.0850513, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)O", "InChI_key": "IWTCFIIOUXJOOV-OLZOCXBDSA-N" } }, "CID:13037657": { "type": "Drug", "properties": { "id": "CID:13037657", "label": "anecortave-acetate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13037657", "FDA_Category_D_L1000_Similarity": 1.48767, "FDA_Category_D_Structural_Similarity": -0.875861, "FDA_Category_D_Weighted_Contribution": -0.117706, "FDA_Category_D_Top_Rank": -0.0112538, "FDA_Category_X_L1000_Similarity": 2.52792, "FDA_Category_X_Structural_Similarity": -0.0544452, "FDA_Category_X_Weighted_Contribution": 1.17069, "FDA_Category_X_Top_Rank": 0.17165, "FDA_Category_D_and_X_L1000_Similarity": 2.05009, "FDA_Category_D_and_X_Structural_Similarity": -0.724561, "FDA_Category_D_and_X_Weighted_Contribution": 0.265634, "FDA_Category_D_and_X_Top_Rank": 0.121247, "Placenta_Crossing_L1000_Similarity": 1.57848, "Placenta_Crossing_Structural_Similarity": -0.526785, "Placenta_Crossing_Weighted_Contribution": 0.120554, "Placenta_Crossing_Top_Rank": -0.0311452, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1329": { "type": "Drug", "properties": { "id": "CID:1329", "label": "8-cyclopentyl-1,3-dipropylxanthine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1329", "FDA_Category_D_L1000_Similarity": -0.0206564, "FDA_Category_D_Structural_Similarity": -0.401095, "FDA_Category_D_Weighted_Contribution": -0.469196, "FDA_Category_D_Top_Rank": -0.0923579, "FDA_Category_X_L1000_Similarity": 1.78572, "FDA_Category_X_Structural_Similarity": -0.196079, "FDA_Category_X_Weighted_Contribution": 0.594802, "FDA_Category_X_Top_Rank": -0.021419, "FDA_Category_D_and_X_L1000_Similarity": 0.524485, "FDA_Category_D_and_X_Structural_Similarity": -0.424158, "FDA_Category_D_and_X_Weighted_Contribution": -0.247197, "FDA_Category_D_and_X_Top_Rank": -0.0852057, "Placenta_Crossing_L1000_Similarity": 0.972353, "Placenta_Crossing_Structural_Similarity": -0.507148, "Placenta_Crossing_Weighted_Contribution": -0.14697, "Placenta_Crossing_Top_Rank": -0.0713466, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3", "InChI_key": "FFBDFADSZUINTG-UHFFFAOYSA-N" } }, "CID:134044": { "type": "Drug", "properties": { "id": "CID:134044", "label": "labetalol", "lsm": "LSM-1282", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/134044", "drugcentral_id": "1531", "IDG_ID": "1531", "FDA_Category_D_L1000_Similarity": 0.132971, "FDA_Category_D_Structural_Similarity": 2.247, "FDA_Category_D_Weighted_Contribution": 2.3087, "FDA_Category_D_Top_Rank": 0.094881, "FDA_Category_X_L1000_Similarity": -0.22937, "FDA_Category_X_Structural_Similarity": -0.260477, "FDA_Category_X_Weighted_Contribution": -0.458989, "FDA_Category_X_Top_Rank": -0.0857255, "FDA_Category_D_and_X_L1000_Similarity": 0.0449744, "FDA_Category_D_and_X_Structural_Similarity": 1.64292, "FDA_Category_D_and_X_Weighted_Contribution": 1.56958, "FDA_Category_D_and_X_Top_Rank": -0.00213211, "Placenta_Crossing_L1000_Similarity": 0.317718, "Placenta_Crossing_Structural_Similarity": 4.77422, "Placenta_Crossing_Weighted_Contribution": 3.91985, "Placenta_Crossing_Top_Rank": 0.851634, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O", "InChI_key": "SGUAFYQXFOLMHL-ACJLOTCBSA-N" } }, "CID:135539077": { "type": "Drug", "properties": { "id": "CID:135539077", "label": "nvp-auy922", "lsm": "LSM-1162", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135539077", "FDA_Category_D_L1000_Similarity": -1.85479, "FDA_Category_D_Structural_Similarity": 0.544986, "FDA_Category_D_Weighted_Contribution": -0.570033, "FDA_Category_D_Top_Rank": -0.0695112, "FDA_Category_X_L1000_Similarity": -1.0237, "FDA_Category_X_Structural_Similarity": 0.350055, "FDA_Category_X_Weighted_Contribution": -0.272511, "FDA_Category_X_Top_Rank": -0.0677202, "FDA_Category_D_and_X_L1000_Similarity": -1.90974, "FDA_Category_D_and_X_Structural_Similarity": 0.621451, "FDA_Category_D_and_X_Weighted_Contribution": -0.507866, "FDA_Category_D_and_X_Top_Rank": -0.0700819, "Placenta_Crossing_L1000_Similarity": -0.796201, "Placenta_Crossing_Structural_Similarity": 0.0695779, "Placenta_Crossing_Weighted_Contribution": -0.420778, "Placenta_Crossing_Top_Rank": -0.0807399, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C", "InChI_key": "NDAZATDQFDPQBD-UHFFFAOYSA-N" } }, "CID:16667686": { "type": "Drug", "properties": { "id": "CID:16667686", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16667686", "label": "Ajmaline", "FDA_Category_D_L1000_Similarity": 0.917042, "FDA_Category_D_Structural_Similarity": 0.0393161, "FDA_Category_D_Weighted_Contribution": 0.450585, "FDA_Category_D_Top_Rank": -0.07056, "FDA_Category_X_L1000_Similarity": 0.460292, "FDA_Category_X_Structural_Similarity": 0.230104, "FDA_Category_X_Weighted_Contribution": 0.339916, "FDA_Category_X_Top_Rank": -0.0721678, "FDA_Category_D_and_X_L1000_Similarity": 0.930285, "FDA_Category_D_and_X_Structural_Similarity": 0.155369, "FDA_Category_D_and_X_Weighted_Contribution": 0.519187, "FDA_Category_D_and_X_Top_Rank": -0.072807, "Placenta_Crossing_L1000_Similarity": 0.442711, "Placenta_Crossing_Structural_Similarity": -0.837192, "Placenta_Crossing_Weighted_Contribution": -0.636239, "Placenta_Crossing_Top_Rank": -0.0838673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2099": { "type": "Drug", "properties": { "id": "CID:2099", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2099", "label": "alosetron", "FDA_Category_D_L1000_Similarity": 0.557025, "FDA_Category_D_Structural_Similarity": -0.824329, "FDA_Category_D_Weighted_Contribution": -0.536647, "FDA_Category_D_Top_Rank": -0.0837905, "FDA_Category_X_L1000_Similarity": -1.06382, "FDA_Category_X_Structural_Similarity": -0.585771, "FDA_Category_X_Weighted_Contribution": -1.00689, "FDA_Category_X_Top_Rank": -0.0909096, "FDA_Category_D_and_X_L1000_Similarity": 0.157104, "FDA_Category_D_and_X_Structural_Similarity": -0.97036, "FDA_Category_D_and_X_Weighted_Contribution": -0.817905, "FDA_Category_D_and_X_Top_Rank": -0.0907294, "Placenta_Crossing_L1000_Similarity": 1.05832, "Placenta_Crossing_Structural_Similarity": 1.34663, "Placenta_Crossing_Weighted_Contribution": 1.81109, "Placenta_Crossing_Top_Rank": -0.0301299, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C", "InChI_key": "JSWZEAMFRNKZNL-UHFFFAOYSA-N" } }, "CID:21700": { "type": "Drug", "properties": { "id": "CID:21700", "label": "beclomethasone dipropionate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/21700", "FDA_Category_D_L1000_Similarity": 0.0650784, "FDA_Category_D_Structural_Similarity": -0.0877639, "FDA_Category_D_Weighted_Contribution": -0.158511, "FDA_Category_D_Top_Rank": -0.0872621, "FDA_Category_X_L1000_Similarity": 0.322049, "FDA_Category_X_Structural_Similarity": 2.56228, "FDA_Category_X_Weighted_Contribution": 2.79011, "FDA_Category_X_Top_Rank": 0.121884, "FDA_Category_D_and_X_L1000_Similarity": 0.153896, "FDA_Category_D_and_X_Structural_Similarity": 1.31294, "FDA_Category_D_and_X_Weighted_Contribution": 1.2832, "FDA_Category_D_and_X_Top_Rank": -0.0302234, "Placenta_Crossing_L1000_Similarity": 0.334164, "Placenta_Crossing_Structural_Similarity": 0.505568, "Placenta_Crossing_Weighted_Contribution": 0.521728, "Placenta_Crossing_Top_Rank": -0.0692846, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC", "InChI_key": "KUVIULQEHSCUHY-XYWKZLDCSA-N" } }, "CID:23947601": { "type": "Drug", "properties": { "id": "CID:23947601", "label": "cinobufagin", "lsm": "LSM-1820", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23947601", "FDA_Category_D_L1000_Similarity": -1.68638, "FDA_Category_D_Structural_Similarity": -0.729987, "FDA_Category_D_Weighted_Contribution": -1.28734, "FDA_Category_D_Top_Rank": -0.0960719, "FDA_Category_X_L1000_Similarity": -3.26851, "FDA_Category_X_Structural_Similarity": -0.163089, "FDA_Category_X_Weighted_Contribution": -1.37432, "FDA_Category_X_Top_Rank": -0.0837264, "FDA_Category_D_and_X_L1000_Similarity": -2.44627, "FDA_Category_D_and_X_Structural_Similarity": -0.667402, "FDA_Category_D_and_X_Weighted_Contribution": -1.40746, "FDA_Category_D_and_X_Top_Rank": -0.0952522, "Placenta_Crossing_L1000_Similarity": -2.31833, "Placenta_Crossing_Structural_Similarity": 0.401304, "Placenta_Crossing_Weighted_Contribution": -0.751992, "Placenta_Crossing_Top_Rank": -0.0724428, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C(CCC3C2(CCC(C3)O)C)C45C1C(C(C4O5)OC(=O)C)C6=COC(=O)C=C6", "InChI_key": "XSIZUTIZDQZYMA-SBWPMOMYSA-N" } }, "CID:24978538": { "type": "Drug", "properties": { "id": "CID:24978538", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24978538", "label": "navitoclax", "FDA_Category_D_L1000_Similarity": 1.01218, "FDA_Category_D_Structural_Similarity": -0.468903, "FDA_Category_D_Weighted_Contribution": 0.00167033, "FDA_Category_D_Top_Rank": -0.0647211, "FDA_Category_X_L1000_Similarity": 1.67892, "FDA_Category_X_Structural_Similarity": 6.05847, "FDA_Category_X_Weighted_Contribution": 4.56357, "FDA_Category_X_Top_Rank": 1.70843, "FDA_Category_D_and_X_L1000_Similarity": 1.38237, "FDA_Category_D_and_X_Structural_Similarity": 2.89695, "FDA_Category_D_and_X_Weighted_Contribution": 3.30189, "FDA_Category_D_and_X_Top_Rank": 0.177046, "Placenta_Crossing_L1000_Similarity": 2.95049, "Placenta_Crossing_Structural_Similarity": 0.846906, "Placenta_Crossing_Weighted_Contribution": 2.27456, "Placenta_Crossing_Top_Rank": 0.90441, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C", "InChI_key": "JLYAXFNOILIKPP-KXQOOQHDSA-N" } }, "CID:25227436": { "type": "Drug", "properties": { "id": "CID:25227436", "label": "capivasertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25227436", "FDA_Category_D_L1000_Similarity": -0.700399, "FDA_Category_D_Structural_Similarity": -0.0604244, "FDA_Category_D_Weighted_Contribution": -0.514971, "FDA_Category_D_Top_Rank": -0.086583, "FDA_Category_X_L1000_Similarity": -0.293081, "FDA_Category_X_Structural_Similarity": 0.0273217, "FDA_Category_X_Weighted_Contribution": -0.233463, "FDA_Category_X_Top_Rank": -0.0790724, "FDA_Category_D_and_X_L1000_Similarity": -0.692754, "FDA_Category_D_and_X_Structural_Similarity": -0.033217, "FDA_Category_D_and_X_Weighted_Contribution": -0.486431, "FDA_Category_D_and_X_Top_Rank": -0.0870178, "Placenta_Crossing_L1000_Similarity": 0.0945242, "Placenta_Crossing_Structural_Similarity": -0.452154, "Placenta_Crossing_Weighted_Contribution": -0.476861, "Placenta_Crossing_Top_Rank": -0.0876037, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1(C(=O)NC(CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4", "InChI_key": "JDUBGYFRJFOXQC-KRWDZBQOSA-N" } }, "CID:2674": { "type": "Drug", "properties": { "id": "CID:2674", "label": "cercosporin", "lsm": "LSM-1808", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2674", "FDA_Category_D_L1000_Similarity": -2.63794, "FDA_Category_D_Structural_Similarity": -0.748093, "FDA_Category_D_Weighted_Contribution": -1.51536, "FDA_Category_D_Top_Rank": -0.0962006, "FDA_Category_X_L1000_Similarity": -3.73265, "FDA_Category_X_Structural_Similarity": -0.449922, "FDA_Category_X_Weighted_Contribution": -1.58054, "FDA_Category_X_Top_Rank": -0.0890554, "FDA_Category_D_and_X_L1000_Similarity": -3.40748, "FDA_Category_D_and_X_Structural_Similarity": -0.836548, "FDA_Category_D_and_X_Weighted_Contribution": -1.62845, "FDA_Category_D_and_X_Top_Rank": -0.096131, "Placenta_Crossing_L1000_Similarity": -4.39147, "Placenta_Crossing_Structural_Similarity": -0.820683, "Placenta_Crossing_Weighted_Contribution": -1.71209, "Placenta_Crossing_Top_Rank": -0.0918288, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COc1c(O)c2C(=O)C=C3OCOc4cc(O)c5C(=O)C(=C(CC(C)O)c6c(c1CC(C)O)c2c3c4c56)OC", "InChI_key": "JWFLIMIGORGZMQ-UHFFFAOYSA-N" } }, "CID:3035714": { "type": "Drug", "properties": { "id": "CID:3035714", "label": "abt-751", "lsm": "LSM-6285", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3035714", "FDA_Category_D_L1000_Similarity": 0.653869, "FDA_Category_D_Structural_Similarity": -0.497471, "FDA_Category_D_Weighted_Contribution": -0.216541, "FDA_Category_D_Top_Rank": -0.0810541, "FDA_Category_X_L1000_Similarity": -0.206314, "FDA_Category_X_Structural_Similarity": -0.558753, "FDA_Category_X_Weighted_Contribution": -0.689459, "FDA_Category_X_Top_Rank": -0.0888241, "FDA_Category_D_and_X_L1000_Similarity": 0.501, "FDA_Category_D_and_X_Structural_Similarity": -0.69635, "FDA_Category_D_and_X_Weighted_Contribution": -0.481697, "FDA_Category_D_and_X_Top_Rank": -0.0856224, "Placenta_Crossing_L1000_Similarity": -0.183596, "Placenta_Crossing_Structural_Similarity": -0.729822, "Placenta_Crossing_Weighted_Contribution": -0.784963, "Placenta_Crossing_Top_Rank": -0.0895029, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O", "InChI_key": "URCVCIZFVQDVPM-UHFFFAOYSA-N" } }, "CID:3037": { "type": "Drug", "properties": { "id": "CID:3037", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3037", "label": "dichlorophen", "FDA_Category_D_L1000_Similarity": 1.09304, "FDA_Category_D_Structural_Similarity": -0.918467, "FDA_Category_D_Weighted_Contribution": -0.358107, "FDA_Category_D_Top_Rank": -0.0589935, "FDA_Category_X_L1000_Similarity": -0.119266, "FDA_Category_X_Structural_Similarity": -0.726957, "FDA_Category_X_Weighted_Contribution": -0.782178, "FDA_Category_X_Top_Rank": -0.0883408, "FDA_Category_D_and_X_L1000_Similarity": 0.905994, "FDA_Category_D_and_X_Structural_Similarity": -1.12126, "FDA_Category_D_and_X_Weighted_Contribution": -0.6315, "FDA_Category_D_and_X_Top_Rank": -0.0737629, "Placenta_Crossing_L1000_Similarity": 1.01814, "Placenta_Crossing_Structural_Similarity": -0.995356, "Placenta_Crossing_Weighted_Contribution": -0.535316, "Placenta_Crossing_Top_Rank": -0.0698572, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O", "InChI_key": "MDNWOSOZYLHTCG-UHFFFAOYSA-N" } }, "CID:3121": { "type": "Drug", "properties": { "id": "CID:3121", "label": "valproic acid", "lsm": "LSM-4620", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3121", "FDA_Category_D_L1000_Similarity": 1.91025, "FDA_Category_D_Structural_Similarity": 1.59897, "FDA_Category_D_Weighted_Contribution": 2.67448, "FDA_Category_D_Top_Rank": 0.125648, "FDA_Category_X_L1000_Similarity": 1.80979, "FDA_Category_X_Structural_Similarity": 0.714621, "FDA_Category_X_Weighted_Contribution": 1.63716, "FDA_Category_X_Top_Rank": -0.0179141, "FDA_Category_D_and_X_L1000_Similarity": 2.19627, "FDA_Category_D_and_X_Structural_Similarity": 1.65473, "FDA_Category_D_and_X_Weighted_Contribution": 2.73738, "FDA_Category_D_and_X_Top_Rank": 0.215948, "Placenta_Crossing_L1000_Similarity": 2.23897, "Placenta_Crossing_Structural_Similarity": 3.2235, "Placenta_Crossing_Weighted_Contribution": 3.69798, "Placenta_Crossing_Top_Rank": 0.260268, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCCC(CCC)C(=O)O", "InChI_key": "NIJJYAXOARWZEE-UHFFFAOYSA-N" } }, "CID:3447": { "type": "Drug", "properties": { "id": "CID:3447", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3447", "label": "gabexate", "FDA_Category_D_L1000_Similarity": 1.12674, "FDA_Category_D_Structural_Similarity": -0.113639, "FDA_Category_D_Weighted_Contribution": 0.41946, "FDA_Category_D_Top_Rank": -0.0558693, "FDA_Category_X_L1000_Similarity": -0.494087, "FDA_Category_X_Structural_Similarity": 0.227277, "FDA_Category_X_Weighted_Contribution": -0.141056, "FDA_Category_X_Top_Rank": -0.0722779, "FDA_Category_D_and_X_L1000_Similarity": 0.821221, "FDA_Category_D_and_X_Structural_Similarity": 0.0324407, "FDA_Category_D_and_X_Weighted_Contribution": 0.333081, "FDA_Category_D_and_X_Top_Rank": -0.0769438, "Placenta_Crossing_L1000_Similarity": 1.47631, "Placenta_Crossing_Structural_Similarity": 0.299974, "Placenta_Crossing_Weighted_Contribution": 0.9165, "Placenta_Crossing_Top_Rank": -0.0423304, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N", "InChI_key": "YKGYIDJEEQRWQH-UHFFFAOYSA-N" } }, "CID:3517": { "type": "Drug", "properties": { "id": "CID:3517", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3517", "label": "guanabenz", "FDA_Category_D_L1000_Similarity": -0.126054, "FDA_Category_X_L1000_Similarity": 0.895843, "FDA_Category_D_and_X_L1000_Similarity": 0.163402, "Placenta_Crossing_L1000_Similarity": 0.85065, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl", "InChI_key": "WDZVGELJXXEGPV-UHFFFAOYSA-N" } }, "CID:3651": { "type": "Drug", "properties": { "id": "CID:3651", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3651", "label": "hydroxyamphetamine", "FDA_Category_D_L1000_Similarity": -0.0187463, "FDA_Category_D_Structural_Similarity": -0.26739, "FDA_Category_D_Weighted_Contribution": -0.358082, "FDA_Category_D_Top_Rank": -0.0907877, "FDA_Category_X_L1000_Similarity": 0.685855, "FDA_Category_X_Structural_Similarity": 1.34593, "FDA_Category_X_Weighted_Contribution": 1.71481, "FDA_Category_X_Top_Rank": -0.0181499, "FDA_Category_D_and_X_L1000_Similarity": 0.192118, "FDA_Category_D_and_X_Structural_Similarity": 0.514027, "FDA_Category_D_and_X_Weighted_Contribution": 0.462886, "FDA_Category_D_and_X_Top_Rank": -0.0734612, "Placenta_Crossing_L1000_Similarity": 0.847178, "Placenta_Crossing_Structural_Similarity": -0.597216, "Placenta_Crossing_Weighted_Contribution": -0.281503, "Placenta_Crossing_Top_Rank": -0.0750866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CC1=CC=C(C=C1)O)N", "InChI_key": "GIKNHHRFLCDOEU-UHFFFAOYSA-N" } }, "CID:3688": { "type": "Drug", "properties": { "id": "CID:3688", "label": "IDRA-21", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3688", "FDA_Category_D_L1000_Similarity": 1.09812, "FDA_Category_D_Structural_Similarity": -0.705278, "FDA_Category_D_Weighted_Contribution": -0.169842, "FDA_Category_D_Top_Rank": -0.0584091, "FDA_Category_X_L1000_Similarity": 0.722154, "FDA_Category_X_Structural_Similarity": -0.711577, "FDA_Category_X_Weighted_Contribution": -0.43773, "FDA_Category_X_Top_Rank": -0.0787169, "FDA_Category_D_and_X_L1000_Similarity": 1.16589, "FDA_Category_D_and_X_Structural_Similarity": -0.943753, "FDA_Category_D_and_X_Weighted_Contribution": -0.381361, "FDA_Category_D_and_X_Top_Rank": -0.0576889, "Placenta_Crossing_L1000_Similarity": 1.57424, "Placenta_Crossing_Structural_Similarity": -0.878465, "Placenta_Crossing_Weighted_Contribution": -0.2055, "Placenta_Crossing_Top_Rank": -0.0315594, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3728": { "type": "Drug", "properties": { "id": "CID:3728", "label": "diiodohydroxyquinoline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3728", "FDA_Category_D_L1000_Similarity": 0.10737, "FDA_Category_D_Structural_Similarity": -0.637535, "FDA_Category_D_Weighted_Contribution": -0.595687, "FDA_Category_D_Top_Rank": -0.0912031, "FDA_Category_X_L1000_Similarity": 0.486243, "FDA_Category_X_Structural_Similarity": -0.701821, "FDA_Category_X_Weighted_Contribution": -0.528355, "FDA_Category_X_Top_Rank": -0.0827002, "FDA_Category_D_and_X_L1000_Similarity": 0.240225, "FDA_Category_D_and_X_Structural_Similarity": -0.88472, "FDA_Category_D_and_X_Weighted_Contribution": -0.728709, "FDA_Category_D_and_X_Top_Rank": -0.0897518, "Placenta_Crossing_L1000_Similarity": 0.0470306, "Placenta_Crossing_Structural_Similarity": -0.913346, "Placenta_Crossing_Weighted_Contribution": -0.829458, "Placenta_Crossing_Top_Rank": -0.0879806, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C(C=C2I)I)O)N=C1", "InChI_key": "UXZFQZANDVDGMM-UHFFFAOYSA-N" } }, "CID:3796": { "type": "Drug", "properties": { "id": "CID:3796", "label": "kin001-055", "lsm": "LSM-1033", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3796", "FDA_Category_D_L1000_Similarity": 1.38748, "FDA_Category_D_Structural_Similarity": 0.67055, "FDA_Category_D_Weighted_Contribution": 1.42843, "FDA_Category_D_Top_Rank": -0.026362, "FDA_Category_X_L1000_Similarity": 1.02293, "FDA_Category_X_Structural_Similarity": -0.149644, "FDA_Category_X_Weighted_Contribution": 0.237383, "FDA_Category_X_Top_Rank": -0.070811, "FDA_Category_D_and_X_L1000_Similarity": 1.50667, "FDA_Category_D_and_X_Structural_Similarity": 0.451477, "FDA_Category_D_and_X_Weighted_Contribution": 1.17272, "FDA_Category_D_and_X_Top_Rank": -0.0226252, "Placenta_Crossing_L1000_Similarity": 1.39493, "Placenta_Crossing_Structural_Similarity": -0.55635, "Placenta_Crossing_Weighted_Contribution": 0.00420662, "Placenta_Crossing_Top_Rank": -0.0488308, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)O)Br)OC", "InChI_key": "YVCXQRVVNQMZEI-UHFFFAOYSA-N" } }, "CID:3936": { "type": "Drug", "properties": { "id": "CID:3936", "label": "liranaftate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3936", "FDA_Category_D_L1000_Similarity": 1.52752, "FDA_Category_D_Structural_Similarity": -0.387238, "FDA_Category_D_Weighted_Contribution": 0.379525, "FDA_Category_D_Top_Rank": -0.00221131, "FDA_Category_X_L1000_Similarity": -1.29467, "FDA_Category_X_Structural_Similarity": -0.409754, "FDA_Category_X_Weighted_Contribution": -0.968214, "FDA_Category_X_Top_Rank": -0.0883646, "FDA_Category_D_and_X_L1000_Similarity": 0.923584, "FDA_Category_D_and_X_Structural_Similarity": -0.528458, "FDA_Category_D_and_X_Weighted_Contribution": -0.142833, "FDA_Category_D_and_X_Top_Rank": -0.0729653, "Placenta_Crossing_L1000_Similarity": 0.337974, "Placenta_Crossing_Structural_Similarity": -0.499673, "Placenta_Crossing_Weighted_Contribution": -0.415798, "Placenta_Crossing_Top_Rank": -0.0852279, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3965": { "type": "Drug", "properties": { "id": "CID:3965", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3965", "label": "loxoprofen", "FDA_Category_D_L1000_Similarity": -0.55608, "FDA_Category_D_Structural_Similarity": -0.89345, "FDA_Category_D_Weighted_Contribution": -1.02829, "FDA_Category_D_Top_Rank": -0.0953326, "FDA_Category_X_L1000_Similarity": -0.0109318, "FDA_Category_X_Structural_Similarity": -0.160037, "FDA_Category_X_Weighted_Contribution": -0.275494, "FDA_Category_X_Top_Rank": -0.0836247, "FDA_Category_D_and_X_L1000_Similarity": -0.482671, "FDA_Category_D_and_X_Structural_Similarity": -0.795498, "FDA_Category_D_and_X_Weighted_Contribution": -0.934003, "FDA_Category_D_and_X_Top_Rank": -0.0950069, "Placenta_Crossing_L1000_Similarity": 0.0232435, "Placenta_Crossing_Structural_Similarity": -0.83894, "Placenta_Crossing_Weighted_Contribution": -0.787799, "Placenta_Crossing_Top_Rank": -0.0881765, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O", "InChI_key": "YMBXTVYHTMGZDW-UHFFFAOYSA-N" } }, "CID:440936": { "type": "Drug", "properties": { "id": "CID:440936", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID440936", "label": "arbutin", "FDA_Category_D_L1000_Similarity": -0.525891, "FDA_Category_D_Structural_Similarity": 0.728786, "FDA_Category_D_Weighted_Contribution": 0.29179, "FDA_Category_D_Top_Rank": -0.0630872, "FDA_Category_X_L1000_Similarity": 2.13317, "FDA_Category_X_Structural_Similarity": -0.195834, "FDA_Category_X_Weighted_Contribution": 0.78742, "FDA_Category_X_Top_Rank": 0.0371806, "FDA_Category_D_and_X_L1000_Similarity": 0.194473, "FDA_Category_D_and_X_Structural_Similarity": 0.472776, "FDA_Category_D_and_X_Weighted_Contribution": 0.422395, "FDA_Category_D_and_X_Top_Rank": -0.0747442, "Placenta_Crossing_L1000_Similarity": 1.2004, "Placenta_Crossing_Structural_Similarity": 0.679758, "Placenta_Crossing_Weighted_Contribution": 1.17509, "Placenta_Crossing_Top_Rank": -0.0617891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O", "InChI_key": "BJRNKVDFDLYUGJ-RMPHRYRLSA-N" } }, "CID:44484798": { "type": "Drug", "properties": { "id": "CID:44484798", "label": "SA-89735", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44484798", "FDA_Category_D_L1000_Similarity": 0.694841, "FDA_Category_D_Structural_Similarity": -0.211864, "FDA_Category_D_Weighted_Contribution": 0.0694884, "FDA_Category_D_Top_Rank": -0.0797125, "FDA_Category_X_L1000_Similarity": -0.00652033, "FDA_Category_X_Structural_Similarity": 0.5152, "FDA_Category_X_Weighted_Contribution": 0.394448, "FDA_Category_X_Top_Rank": -0.0614438, "FDA_Category_D_and_X_L1000_Similarity": 0.596986, "FDA_Category_D_and_X_Structural_Similarity": 0.10984, "FDA_Category_D_and_X_Weighted_Contribution": 0.285186, "FDA_Category_D_and_X_Top_Rank": -0.083513, "Placenta_Crossing_L1000_Similarity": 0.108181, "Placenta_Crossing_Structural_Similarity": 0.650213, "Placenta_Crossing_Weighted_Contribution": 0.552814, "Placenta_Crossing_Top_Rank": -0.0647564, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505124": { "type": "Drug", "properties": { "id": "CID:44505124", "label": "SA-417716", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505124", "FDA_Category_D_L1000_Similarity": 1.74188, "FDA_Category_D_Structural_Similarity": 0.0905455, "FDA_Category_D_Weighted_Contribution": 1.0211, "FDA_Category_D_Top_Rank": 0.0537636, "FDA_Category_X_L1000_Similarity": 1.96366, "FDA_Category_X_Structural_Similarity": 0.0915092, "FDA_Category_X_Weighted_Contribution": 1.01553, "FDA_Category_X_Top_Rank": 0.00565612, "FDA_Category_D_and_X_L1000_Similarity": 2.09786, "FDA_Category_D_and_X_Structural_Similarity": 0.121245, "FDA_Category_D_and_X_Weighted_Contribution": 1.17398, "FDA_Category_D_and_X_Top_Rank": 0.154438, "Placenta_Crossing_L1000_Similarity": 1.60107, "Placenta_Crossing_Structural_Similarity": -0.416946, "Placenta_Crossing_Weighted_Contribution": 0.238734, "Placenta_Crossing_Top_Rank": -0.028458, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44618378": { "type": "Drug", "properties": { "id": "CID:44618378", "label": "SA-424170", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44618378", "FDA_Category_D_L1000_Similarity": -0.384037, "FDA_Category_D_Structural_Similarity": 0.12628, "FDA_Category_D_Weighted_Contribution": -0.202365, "FDA_Category_D_Top_Rank": -0.0818636, "FDA_Category_X_L1000_Similarity": 0.937588, "FDA_Category_X_Structural_Similarity": -0.021808, "FDA_Category_X_Weighted_Contribution": 0.326158, "FDA_Category_X_Top_Rank": -0.0733621, "FDA_Category_D_and_X_L1000_Similarity": -0.0463176, "FDA_Category_D_and_X_Structural_Similarity": 0.088463, "FDA_Category_D_and_X_Weighted_Contribution": -0.0771105, "FDA_Category_D_and_X_Top_Rank": -0.0843461, "Placenta_Crossing_L1000_Similarity": 0.655355, "Placenta_Crossing_Structural_Similarity": -0.0498878, "Placenta_Crossing_Weighted_Contribution": 0.128823, "Placenta_Crossing_Top_Rank": -0.0798896, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:457193": { "type": "Drug", "properties": { "id": "CID:457193", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID457193", "label": "dactinomycin", "FDA_Category_D_L1000_Similarity": 0.501566, "FDA_Category_X_L1000_Similarity": -1.59681, "FDA_Category_D_and_X_L1000_Similarity": -0.0525681, "Placenta_Crossing_L1000_Similarity": -0.801556, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C", "InChI_key": "RJURFGZVJUQBHK-IIXSONLDSA-N" } }, "CID:46224516": { "type": "Drug", "properties": { "id": "CID:46224516", "label": "UNC-0638", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46224516", "FDA_Category_D_L1000_Similarity": -0.345333, "FDA_Category_D_Structural_Similarity": 0.621386, "FDA_Category_D_Weighted_Contribution": 0.29011, "FDA_Category_D_Top_Rank": -0.0667875, "FDA_Category_X_L1000_Similarity": 1.65709, "FDA_Category_X_Structural_Similarity": 0.769318, "FDA_Category_X_Weighted_Contribution": 1.6126, "FDA_Category_X_Top_Rank": -0.034393, "FDA_Category_D_and_X_L1000_Similarity": 0.205543, "FDA_Category_D_and_X_Structural_Similarity": 0.908323, "FDA_Category_D_and_X_Weighted_Contribution": 0.881678, "FDA_Category_D_and_X_Top_Rank": -0.0577247, "Placenta_Crossing_L1000_Similarity": -1.28486, "Placenta_Crossing_Structural_Similarity": 0.620133, "Placenta_Crossing_Weighted_Contribution": -0.162887, "Placenta_Crossing_Top_Rank": -0.0659604, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4659569": { "type": "Drug", "properties": { "id": "CID:4659569", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4659569", "label": "tolcapone", "FDA_Category_D_L1000_Similarity": 0.535507, "FDA_Category_D_Structural_Similarity": 1.42054, "FDA_Category_D_Weighted_Contribution": 1.7003, "FDA_Category_D_Top_Rank": -0.024791, "FDA_Category_X_L1000_Similarity": 3.22266, "FDA_Category_X_Structural_Similarity": 1.40363, "FDA_Category_X_Weighted_Contribution": 3.04902, "FDA_Category_X_Top_Rank": 0.964624, "FDA_Category_D_and_X_L1000_Similarity": 1.44027, "FDA_Category_D_and_X_Structural_Similarity": 1.8849, "FDA_Category_D_and_X_Weighted_Contribution": 2.57289, "FDA_Category_D_and_X_Top_Rank": 0.0228743, "Placenta_Crossing_L1000_Similarity": 1.45408, "Placenta_Crossing_Structural_Similarity": 1.19297, "Placenta_Crossing_Weighted_Contribution": 1.86012, "Placenta_Crossing_Top_Rank": -0.0399772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]", "InChI_key": "MIQPIUSUKVNLNT-UHFFFAOYSA-N" } }, "CID:46742340": { "type": "Drug", "properties": { "id": "CID:46742340", "label": "vu-0418934-2", "lsm": "LSM-3990", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46742340", "FDA_Category_D_L1000_Similarity": -1.63305, "FDA_Category_D_Structural_Similarity": -0.879822, "FDA_Category_D_Weighted_Contribution": -1.34015, "FDA_Category_D_Top_Rank": -0.0968067, "FDA_Category_X_L1000_Similarity": -1.62895, "FDA_Category_X_Structural_Similarity": -0.528947, "FDA_Category_X_Weighted_Contribution": -1.14235, "FDA_Category_X_Top_Rank": -0.0902095, "FDA_Category_D_and_X_L1000_Similarity": -1.90239, "FDA_Category_D_and_X_Structural_Similarity": -0.983744, "FDA_Category_D_and_X_Weighted_Contribution": -1.41177, "FDA_Category_D_and_X_Top_Rank": -0.0966554, "Placenta_Crossing_L1000_Similarity": -2.98018, "Placenta_Crossing_Structural_Similarity": -0.939719, "Placenta_Crossing_Weighted_Contribution": -1.55918, "Placenta_Crossing_Top_Rank": -0.0922868, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=C(N=C(N=N2)C3=CC=CC=N3)NCC4=CC(=CC=C4)Cl", "InChI_key": "FWCNXQLOVXPNKX-UHFFFAOYSA-N" } }, "CID:46926360": { "type": "Drug", "properties": { "id": "CID:46926360", "label": "pf-04620110", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46926360", "FDA_Category_D_L1000_Similarity": 1.0972, "FDA_Category_D_Structural_Similarity": 1.64123, "FDA_Category_D_Weighted_Contribution": 2.26835, "FDA_Category_D_Top_Rank": -0.000589375, "FDA_Category_X_L1000_Similarity": 1.53833, "FDA_Category_X_Structural_Similarity": 0.200942, "FDA_Category_X_Weighted_Contribution": 0.898625, "FDA_Category_X_Top_Rank": -0.0447275, "FDA_Category_D_and_X_L1000_Similarity": 1.41297, "FDA_Category_D_and_X_Structural_Similarity": 1.4111, "FDA_Category_D_and_X_Weighted_Contribution": 2.11759, "FDA_Category_D_and_X_Top_Rank": -0.0228499, "Placenta_Crossing_L1000_Similarity": 0.382808, "Placenta_Crossing_Structural_Similarity": 0.510948, "Placenta_Crossing_Weighted_Contribution": 0.552871, "Placenta_Crossing_Top_Rank": -0.0691201, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "GEVVQZHMFVFGLN-HDJSIYSDSA-N" } }, "CID:49792852": { "type": "Drug", "properties": { "id": "CID:49792852", "label": "onvansertib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49792852", "FDA_Category_D_L1000_Similarity": -0.260455, "FDA_Category_D_Structural_Similarity": 1.04724, "FDA_Category_D_Weighted_Contribution": 0.787099, "FDA_Category_D_Top_Rank": -0.0480225, "FDA_Category_X_L1000_Similarity": -0.661168, "FDA_Category_X_Structural_Similarity": -0.470475, "FDA_Category_X_Weighted_Contribution": -0.792806, "FDA_Category_X_Top_Rank": -0.0893716, "FDA_Category_D_and_X_L1000_Similarity": -0.425298, "FDA_Category_D_and_X_Structural_Similarity": 0.577345, "FDA_Category_D_and_X_Weighted_Contribution": 0.182033, "FDA_Category_D_and_X_Top_Rank": -0.0716669, "Placenta_Crossing_L1000_Similarity": -0.154445, "Placenta_Crossing_Structural_Similarity": 0.675617, "Placenta_Crossing_Weighted_Contribution": 0.441708, "Placenta_Crossing_Top_Rank": -0.063837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO", "InChI_key": "QHLVBNKYJGBCQJ-UHFFFAOYSA-N" } }, "CID:5056": { "type": "Drug", "properties": { "id": "CID:5056", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5056", "label": "resveratrol", "FDA_Category_D_L1000_Similarity": 2.82008, "FDA_Category_D_Structural_Similarity": 0.325705, "FDA_Category_D_Weighted_Contribution": 1.95727, "FDA_Category_D_Top_Rank": 2.02367, "FDA_Category_X_L1000_Similarity": 1.06122, "FDA_Category_X_Structural_Similarity": 0.388008, "FDA_Category_X_Weighted_Contribution": 0.840518, "FDA_Category_X_Top_Rank": -0.0663625, "FDA_Category_D_and_X_L1000_Similarity": 2.75322, "FDA_Category_D_and_X_Structural_Similarity": 0.467884, "FDA_Category_D_and_X_Weighted_Contribution": 1.92575, "FDA_Category_D_and_X_Top_Rank": 1.02281, "Placenta_Crossing_L1000_Similarity": 2.63072, "Placenta_Crossing_Structural_Similarity": 0.957199, "Placenta_Crossing_Weighted_Contribution": 2.22421, "Placenta_Crossing_Top_Rank": 0.380857, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O", "InChI_key": "LUKBXSAWLPMMSZ-UHFFFAOYSA-N" } }, "CID:5154691": { "type": "Drug", "properties": { "id": "CID:5154691", "label": "nm-pp1", "lsm": "LSM-3760", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5154691", "FDA_Category_D_L1000_Similarity": 0.249788, "FDA_Category_D_Structural_Similarity": 0.303652, "FDA_Category_D_Weighted_Contribution": 0.321172, "FDA_Category_D_Top_Rank": -0.0771127, "FDA_Category_X_L1000_Similarity": -0.959066, "FDA_Category_X_Structural_Similarity": 0.0448051, "FDA_Category_X_Weighted_Contribution": -0.50907, "FDA_Category_X_Top_Rank": -0.0786758, "FDA_Category_D_and_X_L1000_Similarity": -0.0759264, "FDA_Category_D_and_X_Structural_Similarity": 0.26519, "FDA_Category_D_and_X_Weighted_Contribution": 0.0709631, "FDA_Category_D_and_X_Top_Rank": -0.080267, "Placenta_Crossing_L1000_Similarity": -0.0858302, "Placenta_Crossing_Structural_Similarity": -0.821067, "Placenta_Crossing_Weighted_Contribution": -0.812961, "Placenta_Crossing_Top_Rank": -0.0889025, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)N1C2=NC=NC(=C2C(=N1)CC3=CC=CC4=CC=CC=C43)N", "InChI_key": "GDQXJQSQYMMKRA-UHFFFAOYSA-N" } }, "CID:5210": { "type": "Drug", "properties": { "id": "CID:5210", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5210", "label": "sibutramine", "FDA_Category_D_L1000_Similarity": -0.369105, "FDA_Category_D_Structural_Similarity": 0.0408166, "FDA_Category_D_Weighted_Contribution": -0.269861, "FDA_Category_D_Top_Rank": -0.0841924, "FDA_Category_X_L1000_Similarity": 0.994646, "FDA_Category_X_Structural_Similarity": -0.53207, "FDA_Category_X_Weighted_Contribution": -0.154588, "FDA_Category_X_Top_Rank": -0.0715648, "FDA_Category_D_and_X_L1000_Similarity": -0.016124, "FDA_Category_D_and_X_Structural_Similarity": -0.254706, "FDA_Category_D_and_X_Weighted_Contribution": -0.35965, "FDA_Category_D_and_X_Top_Rank": -0.0910484, "Placenta_Crossing_L1000_Similarity": 0.719143, "Placenta_Crossing_Structural_Similarity": -0.690937, "Placenta_Crossing_Weighted_Contribution": -0.414084, "Placenta_Crossing_Top_Rank": -0.0784626, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C", "InChI_key": "UNAANXDKBXWMLN-UHFFFAOYSA-N" } }, "CID:5281004": { "type": "Drug", "properties": { "id": "CID:5281004", "label": "budesonide", "lsm": "LSM-1472", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281004", "IDG_ID": "419", "FDA_Category_D_L1000_Similarity": -0.12877, "FDA_Category_D_Structural_Similarity": 1.05984, "FDA_Category_D_Weighted_Contribution": 0.883953, "FDA_Category_D_Top_Rank": -0.0475962, "FDA_Category_X_L1000_Similarity": 0.723235, "FDA_Category_X_Structural_Similarity": 3.62615, "FDA_Category_X_Weighted_Contribution": 3.73192, "FDA_Category_X_Top_Rank": 0.408505, "FDA_Category_D_and_X_L1000_Similarity": 0.108633, "FDA_Category_D_and_X_Structural_Similarity": 2.79786, "FDA_Category_D_and_X_Weighted_Contribution": 2.71492, "FDA_Category_D_and_X_Top_Rank": 0.154438, "Placenta_Crossing_L1000_Similarity": 0.148548, "Placenta_Crossing_Structural_Similarity": 1.94761, "Placenta_Crossing_Weighted_Contribution": 1.95528, "Placenta_Crossing_Top_Rank": 0.025866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C", "InChI_key": "VOVIALXJUBGFJZ-KWVAZRHASA-N" } }, "CID:5281847": { "type": "Drug", "properties": { "id": "CID:5281847", "label": "rottlerin", "lsm": "LSM-2056", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281847", "FDA_Category_D_L1000_Similarity": -1.3871, "FDA_Category_D_Structural_Similarity": -0.198937, "FDA_Category_D_Weighted_Contribution": -0.901244, "FDA_Category_D_Top_Rank": -0.089443, "FDA_Category_X_L1000_Similarity": -1.20683, "FDA_Category_X_Structural_Similarity": -0.462748, "FDA_Category_X_Weighted_Contribution": -0.97406, "FDA_Category_X_Top_Rank": -0.0892599, "FDA_Category_D_and_X_L1000_Similarity": -1.5622, "FDA_Category_D_and_X_Structural_Similarity": -0.407596, "FDA_Category_D_and_X_Weighted_Contribution": -1.05971, "FDA_Category_D_and_X_Top_Rank": -0.0930573, "Placenta_Crossing_L1000_Similarity": -1.8174, "Placenta_Crossing_Structural_Similarity": 1.52029, "Placenta_Crossing_Weighted_Contribution": 0.442777, "Placenta_Crossing_Top_Rank": -0.0182258, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O", "InChI_key": "DEZFNHCVIZBHBI-ZHACJKMWSA-N" } }, "CID:5282071": { "type": "Drug", "properties": { "id": "CID:5282071", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282071", "label": "sirolimus", "FDA_Category_D_L1000_Similarity": -2.04944, "FDA_Category_D_Structural_Similarity": -0.264774, "FDA_Category_D_Weighted_Contribution": -1.16381, "FDA_Category_D_Top_Rank": -0.0907531, "FDA_Category_X_L1000_Similarity": -1.44985, "FDA_Category_X_Structural_Similarity": 2.94838, "FDA_Category_X_Weighted_Contribution": 2.29607, "FDA_Category_X_Top_Rank": 0.204787, "FDA_Category_D_and_X_L1000_Similarity": -2.20694, "FDA_Category_D_and_X_Structural_Similarity": 1.38078, "FDA_Category_D_and_X_Weighted_Contribution": -0.00280427, "FDA_Category_D_and_X_Top_Rank": -0.0244954, "Placenta_Crossing_L1000_Similarity": -2.34709, "Placenta_Crossing_Structural_Similarity": 1.16475, "Placenta_Crossing_Weighted_Contribution": -0.157761, "Placenta_Crossing_Top_Rank": -0.0419808, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C", "InChI_key": "ZDQSOHOQTUFQEM-NURRSENYSA-N" } }, "CID:5282443": { "type": "Drug", "properties": { "id": "CID:5282443", "label": "triprolidine", "lsm": "LSM-2240", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282443", "IDG_ID": "2763", "FDA_Category_D_L1000_Similarity": 0.871486, "FDA_Category_D_Structural_Similarity": -0.83472, "FDA_Category_D_Weighted_Contribution": -0.396567, "FDA_Category_D_Top_Rank": -0.0727487, "FDA_Category_X_L1000_Similarity": 1.02401, "FDA_Category_X_Structural_Similarity": -0.646092, "FDA_Category_X_Weighted_Contribution": -0.246574, "FDA_Category_X_Top_Rank": -0.0707701, "FDA_Category_D_and_X_L1000_Similarity": 1.06222, "FDA_Category_D_and_X_Structural_Similarity": -1.01116, "FDA_Category_D_and_X_Weighted_Contribution": -0.48186, "FDA_Category_D_and_X_Top_Rank": -0.065367, "Placenta_Crossing_L1000_Similarity": 0.595854, "Placenta_Crossing_Structural_Similarity": 1.68542, "Placenta_Crossing_Weighted_Contribution": 1.91908, "Placenta_Crossing_Top_Rank": -0.00299552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3", "InChI_key": "CBEQULMOCCWAQT-WOJGMQOQSA-N" } }, "CID:5282493": { "type": "Drug", "properties": { "id": "CID:5282493", "label": "clocortolone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282493", "FDA_Category_D_L1000_Similarity": 0.601197, "FDA_Category_D_Structural_Similarity": 0.539382, "FDA_Category_D_Weighted_Contribution": 0.783559, "FDA_Category_D_Top_Rank": -0.0696679, "FDA_Category_X_L1000_Similarity": 1.2605, "FDA_Category_X_Structural_Similarity": 0.818418, "FDA_Category_X_Weighted_Contribution": 1.44296, "FDA_Category_X_Top_Rank": -0.0491837, "FDA_Category_D_and_X_L1000_Similarity": 0.901031, "FDA_Category_D_and_X_Structural_Similarity": 0.86973, "FDA_Category_D_and_X_Weighted_Contribution": 1.25709, "FDA_Category_D_and_X_Top_Rank": -0.0600653, "Placenta_Crossing_L1000_Similarity": 0.75756, "Placenta_Crossing_Structural_Similarity": 0.581668, "Placenta_Crossing_Weighted_Contribution": 0.827749, "Placenta_Crossing_Top_Rank": -0.067278, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F", "InChI_key": "SXYZQZLHAIHKKY-GSTUPEFVSA-N" } }, "CID:5291": { "type": "Drug", "properties": { "id": "CID:5291", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5291", "label": "imatinib", "FDA_Category_D_L1000_Similarity": 1.9929, "FDA_Category_D_Structural_Similarity": -0.216957, "FDA_Category_D_Weighted_Contribution": 0.846757, "FDA_Category_D_Top_Rank": 0.192867, "FDA_Category_X_L1000_Similarity": 4.98991, "FDA_Category_X_Structural_Similarity": -0.449048, "FDA_Category_X_Weighted_Contribution": 2.11049, "FDA_Category_X_Top_Rank": 17.966, "FDA_Category_D_and_X_L1000_Similarity": 3.23326, "FDA_Category_D_and_X_Structural_Similarity": -0.414506, "FDA_Category_D_and_X_Weighted_Contribution": 1.28186, "FDA_Category_D_and_X_Top_Rank": 3.99827, "Placenta_Crossing_L1000_Similarity": 3.05809, "Placenta_Crossing_Structural_Similarity": -0.000296361, "Placenta_Crossing_Weighted_Contribution": 1.45829, "Placenta_Crossing_Top_Rank": 1.16092, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5", "InChI_key": "KTUFNOKKBVMGRW-UHFFFAOYSA-N" } }, "CID:5323714": { "type": "Drug", "properties": { "id": "CID:5323714", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5323714", "label": "Furazolidone", "FDA_Category_D_L1000_Similarity": 1.96756, "FDA_Category_D_Structural_Similarity": 0.086753, "FDA_Category_D_Weighted_Contribution": 1.1614, "FDA_Category_D_Top_Rank": 0.169018, "FDA_Category_X_L1000_Similarity": -0.0309556, "FDA_Category_X_Structural_Similarity": -0.656613, "FDA_Category_X_Weighted_Contribution": -0.697149, "FDA_Category_X_Top_Rank": -0.0877901, "FDA_Category_D_and_X_L1000_Similarity": 1.68667, "FDA_Category_D_and_X_Structural_Similarity": -0.285449, "FDA_Category_D_and_X_Weighted_Contribution": 0.501968, "FDA_Category_D_and_X_Top_Rank": 0.00674343, "Placenta_Crossing_L1000_Similarity": 0.787393, "Placenta_Crossing_Structural_Similarity": 0.227358, "Placenta_Crossing_Weighted_Contribution": 0.471975, "Placenta_Crossing_Top_Rank": -0.0766756, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:53382764": { "type": "Drug", "properties": { "id": "CID:53382764", "label": "SA-1459213", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53382764", "FDA_Category_D_L1000_Similarity": 0.496886, "FDA_Category_X_L1000_Similarity": -0.270225, "FDA_Category_D_and_X_L1000_Similarity": 0.346255, "Placenta_Crossing_L1000_Similarity": 0.565478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54385": { "type": "Drug", "properties": { "id": "CID:54385", "label": "levocabastine", "lsm": "LSM-2731", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54385", "IDG_ID": "1564", "FDA_Category_D_L1000_Similarity": 1.6858, "FDA_Category_D_Structural_Similarity": 1.82521, "FDA_Category_D_Weighted_Contribution": 2.75705, "FDA_Category_D_Top_Rank": 0.0365853, "FDA_Category_X_L1000_Similarity": 2.07084, "FDA_Category_X_Structural_Similarity": -0.61475, "FDA_Category_X_Weighted_Contribution": 0.29904, "FDA_Category_X_Top_Rank": 0.0221981, "FDA_Category_D_and_X_L1000_Similarity": 2.08207, "FDA_Category_D_and_X_Structural_Similarity": 1.11698, "FDA_Category_D_and_X_Weighted_Contribution": 2.19651, "FDA_Category_D_and_X_Top_Rank": 0.13821, "Placenta_Crossing_L1000_Similarity": 1.50067, "Placenta_Crossing_Structural_Similarity": -0.235324, "Placenta_Crossing_Weighted_Contribution": 0.369253, "Placenta_Crossing_Top_Rank": -0.0399772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[C@@H]1CN(CC[C@]1(C(O)=O)c2ccccc2)[C@H]3CC[C@](CC3)(C#N)c4ccc(F)cc4", "InChI_key": "ZCGOMHNNNFPNMX-KYTRFIICSA-N" } }, "CID:54596143": { "type": "Drug", "properties": { "id": "CID:54596143", "label": "tul-xx023", "lsm": "LSM-29348", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54596143", "FDA_Category_D_L1000_Similarity": 1.36676, "FDA_Category_D_Structural_Similarity": 3.25273, "FDA_Category_D_Weighted_Contribution": 3.61077, "FDA_Category_D_Top_Rank": 0.287505, "FDA_Category_X_L1000_Similarity": -0.134306, "FDA_Category_X_Structural_Similarity": 1.95918, "FDA_Category_X_Weighted_Contribution": 1.94062, "FDA_Category_X_Top_Rank": 0.0368444, "FDA_Category_D_and_X_L1000_Similarity": 1.13739, "FDA_Category_D_and_X_Structural_Similarity": 3.6389, "FDA_Category_D_and_X_Weighted_Contribution": 3.62486, "FDA_Category_D_and_X_Top_Rank": 0.482858, "Placenta_Crossing_L1000_Similarity": 1.51627, "Placenta_Crossing_Structural_Similarity": 0.949606, "Placenta_Crossing_Weighted_Contribution": 1.63759, "Placenta_Crossing_Top_Rank": -0.0382953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)NC3CCNC3", "InChI_key": "ILEDKNBEZITSIP-LBPRGKRZSA-N" } }, "CID:54658318": { "type": "Drug", "properties": { "id": "CID:54658318", "label": "SA-1457188", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54658318", "FDA_Category_D_L1000_Similarity": 0.589074, "FDA_Category_D_Structural_Similarity": -0.334328, "FDA_Category_D_Weighted_Contribution": -0.103679, "FDA_Category_D_Top_Rank": -0.0829333, "FDA_Category_X_L1000_Similarity": 1.41435, "FDA_Category_X_Structural_Similarity": -0.168808, "FDA_Category_X_Weighted_Contribution": 0.423236, "FDA_Category_X_Top_Rank": -0.0523067, "FDA_Category_D_and_X_L1000_Similarity": 0.937302, "FDA_Category_D_and_X_Structural_Similarity": -0.356448, "FDA_Category_D_and_X_Weighted_Contribution": 0.0207008, "FDA_Category_D_and_X_Top_Rank": -0.0724526, "Placenta_Crossing_L1000_Similarity": 0.961986, "Placenta_Crossing_Structural_Similarity": 0.19447, "Placenta_Crossing_Weighted_Contribution": 0.529385, "Placenta_Crossing_Top_Rank": -0.0716916, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54668617": { "type": "Drug", "properties": { "id": "CID:54668617", "label": "SA-1919248", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54668617", "FDA_Category_D_L1000_Similarity": 0.358725, "FDA_Category_X_L1000_Similarity": 1.68692, "FDA_Category_D_and_X_L1000_Similarity": 0.821513, "Placenta_Crossing_L1000_Similarity": 0.5899, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5497183": { "type": "Drug", "properties": { "id": "CID:5497183", "label": "z-leu3-vs", "lsm": "LSM-2352", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5497183", "FDA_Category_D_L1000_Similarity": -2.61513, "FDA_Category_D_Structural_Similarity": 0.132947, "FDA_Category_D_Weighted_Contribution": -1.1287, "FDA_Category_D_Top_Rank": -0.0816568, "FDA_Category_X_L1000_Similarity": -3.39755, "FDA_Category_X_Structural_Similarity": 0.485579, "FDA_Category_X_Weighted_Contribution": -1.06643, "FDA_Category_X_Top_Rank": -0.0626571, "FDA_Category_D_and_X_L1000_Similarity": -3.28606, "FDA_Category_D_and_X_Structural_Similarity": 0.367538, "FDA_Category_D_and_X_Weighted_Contribution": -1.16038, "FDA_Category_D_and_X_Top_Rank": -0.0777931, "Placenta_Crossing_L1000_Similarity": -3.29619, "Placenta_Crossing_Structural_Similarity": -0.792848, "Placenta_Crossing_Weighted_Contribution": -1.56323, "Placenta_Crossing_Top_Rank": -0.0917097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C=CS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1", "InChI_key": "DHLFJZAIZCMWEO-JDGFICQVSA-N" } }, "CID:5510": { "type": "Drug", "properties": { "id": "CID:5510", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5510", "label": "tolnaftate", "FDA_Category_D_L1000_Similarity": -0.102374, "FDA_Category_D_Structural_Similarity": -0.789054, "FDA_Category_D_Weighted_Contribution": -0.79391, "FDA_Category_D_Top_Rank": -0.0930271, "FDA_Category_X_L1000_Similarity": -1.33117, "FDA_Category_X_Structural_Similarity": -0.463306, "FDA_Category_X_Weighted_Contribution": -1.01401, "FDA_Category_X_Top_Rank": -0.0892724, "FDA_Category_D_and_X_L1000_Similarity": -0.492509, "FDA_Category_D_and_X_Structural_Similarity": -0.876281, "FDA_Category_D_and_X_Weighted_Contribution": -0.985413, "FDA_Category_D_and_X_Top_Rank": -0.0950427, "Placenta_Crossing_L1000_Similarity": 0.453046, "Placenta_Crossing_Structural_Similarity": -0.752925, "Placenta_Crossing_Weighted_Contribution": -0.569247, "Placenta_Crossing_Top_Rank": -0.0837191, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2", "InChI_key": "FUSNMLFNXJSCDI-UHFFFAOYSA-N" } }, "CID:5745": { "type": "Drug", "properties": { "id": "CID:5745", "label": "cortisone acetate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5745", "FDA_Category_D_L1000_Similarity": 1.15912, "FDA_Category_X_L1000_Similarity": 0.173422, "FDA_Category_D_and_X_L1000_Similarity": 1.05185, "Placenta_Crossing_L1000_Similarity": 1.71404, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O", "InChI_key": "ITRJWOMZKQRYTA-RFZYENFJSA-N" } }, "CID:6006": { "type": "Drug", "properties": { "id": "CID:6006", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6006", "label": "leucovorin", "FDA_Category_D_L1000_Similarity": -0.118252, "FDA_Category_X_L1000_Similarity": 0.759915, "FDA_Category_D_and_X_L1000_Similarity": 0.128846, "Placenta_Crossing_L1000_Similarity": 0.579833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O", "InChI_key": "VVIAGPKUTFNRDU-ABLWVSNPSA-N" } }, "CID:60187003": { "type": "Drug", "properties": { "id": "CID:60187003", "label": "SA-1937536", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60187003", "FDA_Category_D_L1000_Similarity": 0.325232, "FDA_Category_X_L1000_Similarity": 0.785512, "FDA_Category_D_and_X_L1000_Similarity": 0.518898, "Placenta_Crossing_L1000_Similarity": 0.927063, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:6024": { "type": "Drug", "properties": { "id": "CID:6024", "label": "cefalotin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6024", "FDA_Category_D_L1000_Similarity": 0.697861, "FDA_Category_D_Structural_Similarity": 0.882003, "FDA_Category_D_Weighted_Contribution": 1.21804, "FDA_Category_D_Top_Rank": -0.0567848, "FDA_Category_X_L1000_Similarity": 0.742723, "FDA_Category_X_Structural_Similarity": 0.221197, "FDA_Category_X_Weighted_Contribution": 0.481111, "FDA_Category_X_Top_Rank": -0.0725071, "FDA_Category_D_and_X_L1000_Similarity": 0.827116, "FDA_Category_D_and_X_Structural_Similarity": 0.819415, "FDA_Category_D_and_X_Weighted_Contribution": 1.1588, "FDA_Category_D_and_X_Top_Rank": -0.062522, "Placenta_Crossing_L1000_Similarity": 0.479337, "Placenta_Crossing_Structural_Similarity": 6.82166, "Placenta_Crossing_Weighted_Contribution": 4.31898, "Placenta_Crossing_Top_Rank": 5.31645, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O", "InChI_key": "XIURVHNZVLADCM-IUODEOHRSA-N" } }, "CID:60877": { "type": "Drug", "properties": { "id": "CID:60877", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60877", "label": "emtricitabine", "FDA_Category_D_L1000_Similarity": -0.16545, "FDA_Category_D_Structural_Similarity": -0.177411, "FDA_Category_D_Weighted_Contribution": -0.354649, "FDA_Category_D_Top_Rank": -0.0890399, "FDA_Category_X_L1000_Similarity": -0.606669, "FDA_Category_X_Structural_Similarity": -0.589168, "FDA_Category_X_Weighted_Contribution": -0.857548, "FDA_Category_X_Top_Rank": -0.0903819, "FDA_Category_D_and_X_L1000_Similarity": -0.326855, "FDA_Category_D_and_X_Structural_Similarity": -0.458726, "FDA_Category_D_and_X_Weighted_Contribution": -0.652235, "FDA_Category_D_and_X_Top_Rank": -0.0935774, "Placenta_Crossing_L1000_Similarity": 0.460581, "Placenta_Crossing_Structural_Similarity": 1.95044, "Placenta_Crossing_Weighted_Contribution": 2.11806, "Placenta_Crossing_Top_Rank": 0.0261515, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F", "InChI_key": "XQSPYNMVSIKCOC-NTSWFWBYSA-N" } }, "CID:657309": { "type": "Drug", "properties": { "id": "CID:657309", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/657309", "label": "ipratropium", "ref": "LSM-1497", "FDA_Category_D_L1000_Similarity": 1.58919, "FDA_Category_D_Structural_Similarity": -0.684133, "FDA_Category_D_Weighted_Contribution": 0.119195, "FDA_Category_D_Top_Rank": 0.0114865, "FDA_Category_X_L1000_Similarity": 1.54842, "FDA_Category_X_Structural_Similarity": -0.635794, "FDA_Category_X_Weighted_Contribution": 0.0121277, "FDA_Category_X_Top_Rank": -0.0440926, "FDA_Category_D_and_X_L1000_Similarity": 1.84014, "FDA_Category_D_and_X_Structural_Similarity": -0.886078, "FDA_Category_D_and_X_Weighted_Contribution": -0.00113757, "FDA_Category_D_and_X_Top_Rank": 0.0412241, "Placenta_Crossing_L1000_Similarity": 1.24458, "Placenta_Crossing_Structural_Similarity": -1.01223, "Placenta_Crossing_Weighted_Contribution": -0.458257, "Placenta_Crossing_Top_Rank": -0.0593708, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "OEXHQOGQTVQTAT-ZFWRPDKHSA-N" } }, "CID:65889": { "type": "Drug", "properties": { "id": "CID:65889", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65889", "label": "apafant", "FDA_Category_D_L1000_Similarity": 0.80031, "FDA_Category_D_Structural_Similarity": 1.90919, "FDA_Category_D_Weighted_Contribution": 2.36013, "FDA_Category_D_Top_Rank": 0.034575, "FDA_Category_X_L1000_Similarity": 1.36995, "FDA_Category_X_Structural_Similarity": -0.253468, "FDA_Category_X_Weighted_Contribution": 0.310093, "FDA_Category_X_Top_Rank": -0.055054, "FDA_Category_D_and_X_L1000_Similarity": 1.1059, "FDA_Category_D_and_X_Structural_Similarity": 1.37858, "FDA_Category_D_and_X_Weighted_Contribution": 1.9128, "FDA_Category_D_and_X_Top_Rank": -0.0248164, "Placenta_Crossing_L1000_Similarity": 1.70458, "Placenta_Crossing_Structural_Similarity": 0.0861584, "Placenta_Crossing_Weighted_Contribution": 0.811671, "Placenta_Crossing_Top_Rank": -0.0147647, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl", "InChI_key": "JGPJQFOROWSRRS-UHFFFAOYSA-N" } }, "CID:667484": { "type": "Drug", "properties": { "id": "CID:667484", "label": "etomidate", "lsm": "LSM-1640", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/667484", "IDG_ID": "1109", "FDA_Category_D_L1000_Similarity": 1.42499, "FDA_Category_D_Structural_Similarity": -0.836153, "FDA_Category_D_Weighted_Contribution": -0.114966, "FDA_Category_D_Top_Rank": -0.0215639, "FDA_Category_X_L1000_Similarity": 0.411158, "FDA_Category_X_Structural_Similarity": -0.726419, "FDA_Category_X_Weighted_Contribution": -0.578854, "FDA_Category_X_Top_Rank": -0.083655, "FDA_Category_D_and_X_L1000_Similarity": 1.35322, "FDA_Category_D_and_X_Structural_Similarity": -1.05564, "FDA_Category_D_and_X_Weighted_Contribution": -0.386972, "FDA_Category_D_and_X_Top_Rank": -0.0420894, "Placenta_Crossing_L1000_Similarity": 1.8058, "Placenta_Crossing_Structural_Similarity": -1.00731, "Placenta_Crossing_Weighted_Contribution": -0.215483, "Placenta_Crossing_Top_Rank": 0.00157753, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2", "InChI_key": "NPUKDXXFDDZOKR-LLVKDONJSA-N" } }, "CID:6857685": { "type": "Drug", "properties": { "id": "CID:6857685", "label": "pik-90", "lsm": "LSM-6697", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6857685", "FDA_Category_D_L1000_Similarity": -1.81264, "FDA_Category_D_Structural_Similarity": -0.614517, "FDA_Category_D_Weighted_Contribution": -1.26808, "FDA_Category_D_Top_Rank": -0.0951914, "FDA_Category_X_L1000_Similarity": -0.77896, "FDA_Category_X_Structural_Similarity": 0.518577, "FDA_Category_X_Weighted_Contribution": 0.00205298, "FDA_Category_X_Top_Rank": -0.0612707, "FDA_Category_D_and_X_L1000_Similarity": -1.79908, "FDA_Category_D_and_X_Structural_Similarity": -0.207928, "FDA_Category_D_and_X_Weighted_Contribution": -1.02232, "FDA_Category_D_and_X_Top_Rank": -0.0903651, "Placenta_Crossing_L1000_Similarity": -1.35518, "Placenta_Crossing_Structural_Similarity": -0.616363, "Placenta_Crossing_Weighted_Contribution": -1.07973, "Placenta_Crossing_Top_Rank": -0.0906845, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C2=C(C=C1)C3=NCCN3C(=N2)NC(=O)C4=CN=CC=C4)OC", "InChI_key": "ZJAVHOMVDCMAMF-UHFFFAOYSA-N" } }, "CID:71077": { "type": "Drug", "properties": { "id": "CID:71077", "label": "d-serine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71077", "FDA_Category_D_L1000_Similarity": 0.589736, "FDA_Category_D_Structural_Similarity": -0.714438, "FDA_Category_D_Weighted_Contribution": -0.433401, "FDA_Category_D_Top_Rank": -0.0829049, "FDA_Category_X_L1000_Similarity": 0.151973, "FDA_Category_X_Structural_Similarity": -0.738425, "FDA_Category_X_Weighted_Contribution": -0.689751, "FDA_Category_X_Top_Rank": -0.0864237, "FDA_Category_D_and_X_L1000_Similarity": 0.554512, "FDA_Category_D_and_X_Structural_Similarity": -0.96551, "FDA_Category_D_and_X_Weighted_Contribution": -0.661399, "FDA_Category_D_and_X_Top_Rank": -0.0846102, "Placenta_Crossing_L1000_Similarity": -0.0113032, "Placenta_Crossing_Structural_Similarity": -0.960119, "Placenta_Crossing_Weighted_Contribution": -0.879042, "Placenta_Crossing_Top_Rank": -0.0884414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(C(=O)O)N)O", "InChI_key": "MTCFGRXMJLQNBG-UWTATZPHSA-N" } }, "CID:71188": { "type": "Drug", "properties": { "id": "CID:71188", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71188", "label": "enrofloxacin", "FDA_Category_D_L1000_Similarity": 0.912757, "FDA_Category_D_Structural_Similarity": 0.325665, "FDA_Category_D_Weighted_Contribution": 0.749978, "FDA_Category_D_Top_Rank": -0.0708167, "FDA_Category_X_L1000_Similarity": -0.119357, "FDA_Category_X_Structural_Similarity": 0.328705, "FDA_Category_X_Weighted_Contribution": 0.141889, "FDA_Category_X_Top_Rank": -0.068557, "FDA_Category_D_and_X_L1000_Similarity": 0.750561, "FDA_Category_D_and_X_Structural_Similarity": 0.435853, "FDA_Category_D_and_X_Weighted_Contribution": 0.705541, "FDA_Category_D_and_X_Top_Rank": -0.0758177, "Placenta_Crossing_L1000_Similarity": 1.81049, "Placenta_Crossing_Structural_Similarity": -0.0495626, "Placenta_Crossing_Weighted_Contribution": 0.72459, "Placenta_Crossing_Top_Rank": 0.0017622, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F", "InChI_key": "SPFYMRJSYKOXGV-UHFFFAOYSA-N" } }, "CID:72947407": { "type": "Drug", "properties": { "id": "CID:72947407", "label": "md-049", "lsm": "LSM-4820", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72947407", "FDA_Category_D_L1000_Similarity": -2.50015, "FDA_Category_X_L1000_Similarity": -1.17545, "FDA_Category_D_and_X_L1000_Similarity": -2.51213, "Placenta_Crossing_L1000_Similarity": -2.10321, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F", "InChI_key": "OSMBHPUZSJCCFM-JLHYYAGUSA-N" } }, "CID:92258": { "type": "Drug", "properties": { "id": "CID:92258", "label": "phenylacetylglutamine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/92258", "FDA_Category_D_L1000_Similarity": 1.25475, "FDA_Category_D_Structural_Similarity": 0.490826, "FDA_Category_D_Weighted_Contribution": 1.14681, "FDA_Category_D_Top_Rank": -0.0433775, "FDA_Category_X_L1000_Similarity": 3.11896, "FDA_Category_X_Structural_Similarity": 0.285325, "FDA_Category_X_Weighted_Contribution": 1.88996, "FDA_Category_X_Top_Rank": 0.748787, "FDA_Category_D_and_X_L1000_Similarity": 2.02878, "FDA_Category_D_and_X_Structural_Similarity": 0.543536, "FDA_Category_D_and_X_Weighted_Contribution": 1.58296, "FDA_Category_D_and_X_Top_Rank": 0.106513, "Placenta_Crossing_L1000_Similarity": 1.27521, "Placenta_Crossing_Structural_Similarity": -0.0166737, "Placenta_Crossing_Weighted_Contribution": 0.47551, "Placenta_Crossing_Top_Rank": -0.0573671, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9547215": { "type": "Drug", "properties": { "id": "CID:9547215", "label": "bufalin", "lsm": "LSM-3419", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9547215", "FDA_Category_D_L1000_Similarity": -0.953401, "FDA_Category_D_Structural_Similarity": -0.7065, "FDA_Category_D_Weighted_Contribution": -1.05468, "FDA_Category_D_Top_Rank": -0.0958985, "FDA_Category_X_L1000_Similarity": -2.97695, "FDA_Category_X_Structural_Similarity": 0.0651482, "FDA_Category_X_Weighted_Contribution": -1.18725, "FDA_Category_X_Top_Rank": -0.0781034, "FDA_Category_D_and_X_L1000_Similarity": -1.72589, "FDA_Category_D_and_X_Structural_Similarity": -0.525605, "FDA_Category_D_and_X_Weighted_Contribution": -1.16967, "FDA_Category_D_and_X_Top_Rank": -0.0942108, "Placenta_Crossing_L1000_Similarity": -1.83256, "Placenta_Crossing_Structural_Similarity": -0.389559, "Placenta_Crossing_Weighted_Contribution": -1.08815, "Placenta_Crossing_Top_Rank": -0.0885837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O", "InChI_key": "QEEBRPGZBVVINN-BMPKRDENSA-N" } }, "CID:9571107": { "type": "Drug", "properties": { "id": "CID:9571107", "label": "gemifloxacin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9571107", "FDA_Category_D_L1000_Similarity": 1.94249, "FDA_Category_D_Structural_Similarity": -0.31236, "FDA_Category_D_Weighted_Contribution": 0.712481, "FDA_Category_D_Top_Rank": 0.153224, "FDA_Category_X_L1000_Similarity": 3.0483, "FDA_Category_X_Structural_Similarity": -0.223165, "FDA_Category_X_Weighted_Contribution": 1.2753, "FDA_Category_X_Top_Rank": 0.588012, "FDA_Category_D_and_X_L1000_Similarity": 2.60017, "FDA_Category_D_and_X_Structural_Similarity": -0.368344, "FDA_Category_D_and_X_Weighted_Contribution": 0.951545, "FDA_Category_D_and_X_Top_Rank": 0.662535, "Placenta_Crossing_L1000_Similarity": 2.74168, "Placenta_Crossing_Structural_Similarity": 0.27452, "Placenta_Crossing_Weighted_Contribution": 1.58071, "Placenta_Crossing_Top_Rank": 0.503315, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CON=C1CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F", "InChI_key": "ZRCVYEYHRGVLOC-HYARGMPZSA-N" } }, "CID:9615346": { "type": "Drug", "properties": { "id": "CID:9615346", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9615346", "label": "Cefepime", "FDA_Category_D_L1000_Similarity": 1.45621, "FDA_Category_D_Structural_Similarity": 0.39103, "FDA_Category_D_Weighted_Contribution": 1.1667, "FDA_Category_D_Top_Rank": -0.0174247, "FDA_Category_X_L1000_Similarity": -0.0913903, "FDA_Category_X_Structural_Similarity": -0.126527, "FDA_Category_X_Weighted_Contribution": -0.281592, "FDA_Category_X_Top_Rank": -0.0829121, "FDA_Category_D_and_X_L1000_Similarity": 1.22752, "FDA_Category_D_and_X_Structural_Similarity": 0.242092, "FDA_Category_D_and_X_Weighted_Contribution": 0.782899, "FDA_Category_D_and_X_Top_Rank": -0.0529398, "Placenta_Crossing_L1000_Similarity": 1.98612, "Placenta_Crossing_Structural_Similarity": 2.7047, "Placenta_Crossing_Weighted_Contribution": 3.35845, "Placenta_Crossing_Top_Rank": 0.127289, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9803963": { "type": "Drug", "properties": { "id": "CID:9803963", "label": "cardarine", "lsm": "LSM-5330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9803963", "FDA_Category_D_L1000_Similarity": 2.04611, "FDA_Category_D_Structural_Similarity": -0.860686, "FDA_Category_D_Weighted_Contribution": 0.208512, "FDA_Category_D_Top_Rank": 0.232679, "FDA_Category_X_L1000_Similarity": 0.82516, "FDA_Category_X_Structural_Similarity": -0.646522, "FDA_Category_X_Weighted_Contribution": -0.336421, "FDA_Category_X_Top_Rank": -0.0762931, "FDA_Category_D_and_X_L1000_Similarity": 2.01437, "FDA_Category_D_and_X_Structural_Similarity": -1.032, "FDA_Category_D_and_X_Weighted_Contribution": -0.0455287, "FDA_Category_D_and_X_Top_Rank": 0.0991342, "Placenta_Crossing_L1000_Similarity": 2.7122, "Placenta_Crossing_Structural_Similarity": -0.973392, "Placenta_Crossing_Weighted_Contribution": 0.245881, "Placenta_Crossing_Top_Rank": 0.47165, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O", "InChI_key": "YDBLKRPLXZNVNB-UHFFFAOYSA-N" } }, "CID:9931954": { "type": "Drug", "properties": { "id": "CID:9931954", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9931954", "label": "rucaparib", "FDA_Category_D_L1000_Similarity": 2.10506, "FDA_Category_D_Structural_Similarity": -0.872374, "FDA_Category_D_Weighted_Contribution": 0.231189, "FDA_Category_D_Top_Rank": 0.295644, "FDA_Category_X_L1000_Similarity": 1.20403, "FDA_Category_X_Structural_Similarity": -0.15033, "FDA_Category_X_Weighted_Contribution": 0.331212, "FDA_Category_X_Top_Rank": -0.0639425, "FDA_Category_D_and_X_L1000_Similarity": 2.18023, "FDA_Category_D_and_X_Structural_Similarity": -0.773532, "FDA_Category_D_and_X_Weighted_Contribution": 0.289274, "FDA_Category_D_and_X_Top_Rank": 0.200758, "Placenta_Crossing_L1000_Similarity": 1.90402, "Placenta_Crossing_Structural_Similarity": -0.514499, "Placenta_Crossing_Weighted_Contribution": 0.294413, "Placenta_Crossing_Top_Rank": 0.0214698, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2", "InChI_key": "HMABYWSNWIZPAG-UHFFFAOYSA-N" } }, "CID:10302451": { "type": "Drug", "properties": { "id": "CID:10302451", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10302451", "label": "saracatinib", "FDA_Category_D_L1000_Similarity": -1.43024, "FDA_Category_D_Structural_Similarity": 0.440004, "FDA_Category_D_Weighted_Contribution": -0.456538, "FDA_Category_D_Top_Rank": -0.073161, "FDA_Category_X_L1000_Similarity": 3.16302, "FDA_Category_X_Structural_Similarity": 2.28908, "FDA_Category_X_Weighted_Contribution": 3.66436, "FDA_Category_X_Top_Rank": 0.836381, "FDA_Category_D_and_X_L1000_Similarity": -0.272339, "FDA_Category_D_and_X_Structural_Similarity": 1.58441, "FDA_Category_D_and_X_Weighted_Contribution": 1.31803, "FDA_Category_D_and_X_Top_Rank": -0.00750507, "Placenta_Crossing_L1000_Similarity": 0.179365, "Placenta_Crossing_Structural_Similarity": -0.731802, "Placenta_Crossing_Weighted_Contribution": -0.656891, "Placenta_Crossing_Top_Rank": -0.0867905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl", "InChI_key": "OUKYUETWWIPKQR-UHFFFAOYSA-N" } }, "CID:107807": { "type": "Drug", "properties": { "id": "CID:107807", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107807", "label": "perindopril", "FDA_Category_D_L1000_Similarity": 1.84237, "FDA_Category_D_Structural_Similarity": 11.5024, "FDA_Category_D_Weighted_Contribution": 4.51755, "FDA_Category_D_Top_Rank": 14.2528, "FDA_Category_X_L1000_Similarity": 1.79149, "FDA_Category_X_Structural_Similarity": -0.349706, "FDA_Category_X_Weighted_Contribution": 0.431604, "FDA_Category_X_Top_Rank": -0.0203224, "FDA_Category_D_and_X_L1000_Similarity": 2.13219, "FDA_Category_D_and_X_Structural_Similarity": 8.94092, "FDA_Category_D_and_X_Weighted_Contribution": 4.39602, "FDA_Category_D_and_X_Top_Rank": 14.2515, "Placenta_Crossing_L1000_Similarity": 2.11356, "Placenta_Crossing_Structural_Similarity": 7.70289, "Placenta_Crossing_Weighted_Contribution": 4.41315, "Placenta_Crossing_Top_Rank": 10.7312, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O", "InChI_key": "IPVQLZZIHOAWMC-QXKUPLGCSA-N" } }, "CID:11213558": { "type": "Drug", "properties": { "id": "CID:11213558", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11213558", "label": "tamatinib", "FDA_Category_D_L1000_Similarity": -0.322155, "FDA_Category_D_Structural_Similarity": 0.899177, "FDA_Category_D_Weighted_Contribution": 0.590804, "FDA_Category_D_Top_Rank": -0.0556348, "FDA_Category_X_L1000_Similarity": 1.75643, "FDA_Category_X_Structural_Similarity": -0.449902, "FDA_Category_X_Weighted_Contribution": 0.30691, "FDA_Category_X_Top_Rank": -0.0246299, "FDA_Category_D_and_X_L1000_Similarity": 0.25569, "FDA_Category_D_and_X_Structural_Similarity": 0.470923, "FDA_Category_D_and_X_Weighted_Contribution": 0.455294, "FDA_Category_D_and_X_Top_Rank": -0.0748138, "Placenta_Crossing_L1000_Similarity": 1.00355, "Placenta_Crossing_Structural_Similarity": -0.670899, "Placenta_Crossing_Weighted_Contribution": -0.276666, "Placenta_Crossing_Top_Rank": -0.0702702, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C", "InChI_key": "NHHQJBCNYHBUSI-UHFFFAOYSA-N" } }, "CID:11234052": { "type": "Drug", "properties": { "id": "CID:11234052", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11234052", "label": "brivanib", "FDA_Category_D_L1000_Similarity": 1.60257, "FDA_Category_D_Structural_Similarity": -0.528248, "FDA_Category_D_Weighted_Contribution": 0.281087, "FDA_Category_D_Top_Rank": 0.0142992, "FDA_Category_X_L1000_Similarity": 0.920687, "FDA_Category_X_Structural_Similarity": -0.477213, "FDA_Category_X_Weighted_Contribution": -0.137782, "FDA_Category_X_Top_Rank": -0.0737684, "FDA_Category_D_and_X_L1000_Similarity": 1.66104, "FDA_Category_D_and_X_Structural_Similarity": -0.67678, "FDA_Category_D_and_X_Weighted_Contribution": 0.100969, "FDA_Category_D_and_X_Top_Rank": 0.00269973, "Placenta_Crossing_L1000_Similarity": 1.90372, "Placenta_Crossing_Structural_Similarity": -0.689161, "Placenta_Crossing_Weighted_Contribution": 0.123074, "Placenta_Crossing_Top_Rank": 0.0212054, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OCC(C)O)C", "InChI_key": "WCWUXEGQKLTGDX-LLVKDONJSA-N" } }, "CID:11395181": { "type": "Drug", "properties": { "id": "CID:11395181", "label": "nch-51", "lsm": "LSM-5635", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11395181", "FDA_Category_D_L1000_Similarity": -1.84058, "FDA_Category_D_Structural_Similarity": -0.572299, "FDA_Category_D_Weighted_Contribution": -1.25588, "FDA_Category_D_Top_Rank": -0.094796, "FDA_Category_X_L1000_Similarity": -2.32956, "FDA_Category_X_Structural_Similarity": 0.110903, "FDA_Category_X_Weighted_Contribution": -0.966405, "FDA_Category_X_Top_Rank": -0.0768008, "FDA_Category_D_and_X_L1000_Similarity": -2.29405, "FDA_Category_D_and_X_Structural_Similarity": -0.394399, "FDA_Category_D_and_X_Weighted_Contribution": -1.25883, "FDA_Category_D_and_X_Top_Rank": -0.0928985, "Placenta_Crossing_L1000_Similarity": -2.47821, "Placenta_Crossing_Structural_Similarity": -0.751576, "Placenta_Crossing_Weighted_Contribution": -1.40731, "Placenta_Crossing_Top_Rank": -0.0915158, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2", "InChI_key": "MDYDGUOQFUQOGE-UHFFFAOYSA-N" } }, "CID:11455910": { "type": "Drug", "properties": { "id": "CID:11455910", "label": "tw-37", "lsm": "LSM-6236", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11455910", "FDA_Category_D_L1000_Similarity": -1.08636, "FDA_Category_D_Structural_Similarity": -0.389234, "FDA_Category_D_Weighted_Contribution": -0.910285, "FDA_Category_D_Top_Rank": -0.09277, "FDA_Category_X_L1000_Similarity": -2.00907, "FDA_Category_X_Structural_Similarity": -0.624511, "FDA_Category_X_Weighted_Contribution": -1.29422, "FDA_Category_X_Top_Rank": -0.0913217, "FDA_Category_D_and_X_L1000_Similarity": -1.54657, "FDA_Category_D_and_X_Structural_Similarity": -0.645924, "FDA_Category_D_and_X_Weighted_Contribution": -1.17949, "FDA_Category_D_and_X_Top_Rank": -0.0951091, "Placenta_Crossing_L1000_Similarity": -2.6526, "Placenta_Crossing_Structural_Similarity": -0.564406, "Placenta_Crossing_Weighted_Contribution": -1.36821, "Placenta_Crossing_Top_Rank": -0.0902755, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C", "InChI_key": "PQAPVTKIEGUPRN-UHFFFAOYSA-N" } }, "CID:12124": { "type": "Drug", "properties": { "id": "CID:12124", "label": "metacetamol", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12124", "FDA_Category_D_L1000_Similarity": 1.01787, "FDA_Category_D_Structural_Similarity": -0.0475989, "FDA_Category_D_Weighted_Contribution": 0.421815, "FDA_Category_D_Top_Rank": -0.0643056, "FDA_Category_X_L1000_Similarity": -0.0501353, "FDA_Category_X_Structural_Similarity": -0.622238, "FDA_Category_X_Weighted_Contribution": -0.67825, "FDA_Category_X_Top_Rank": -0.0879322, "FDA_Category_D_and_X_L1000_Similarity": 0.862201, "FDA_Category_D_and_X_Structural_Similarity": -0.373537, "FDA_Category_D_and_X_Weighted_Contribution": -0.0339943, "FDA_Category_D_and_X_Top_Rank": -0.0755702, "Placenta_Crossing_L1000_Similarity": 0.655054, "Placenta_Crossing_Structural_Similarity": -0.226021, "Placenta_Crossing_Weighted_Contribution": -0.0376354, "Placenta_Crossing_Top_Rank": -0.0798959, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:122023": { "type": "Drug", "properties": { "id": "CID:122023", "label": "ly-255283", "lsm": "LSM-4075", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122023", "FDA_Category_D_L1000_Similarity": 0.904651, "FDA_Category_D_Structural_Similarity": 0.300747, "FDA_Category_D_Weighted_Contribution": 0.718215, "FDA_Category_D_Top_Rank": -0.0713179, "FDA_Category_X_L1000_Similarity": -0.373436, "FDA_Category_X_Structural_Similarity": -0.284742, "FDA_Category_X_Weighted_Contribution": -0.539096, "FDA_Category_X_Top_Rank": -0.086211, "FDA_Category_D_and_X_L1000_Similarity": 0.666413, "FDA_Category_D_and_X_Structural_Similarity": 0.0850609, "FDA_Category_D_and_X_Weighted_Contribution": 0.299163, "FDA_Category_D_and_X_Top_Rank": -0.0820338, "Placenta_Crossing_L1000_Similarity": 0.787904, "Placenta_Crossing_Structural_Similarity": -0.738527, "Placenta_Crossing_Weighted_Contribution": -0.424412, "Placenta_Crossing_Top_Rank": -0.0766583, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC(=C(C=C1OCCCCCC(C)(C)C2=NNN=N2)O)C(=O)C", "InChI_key": "WCGXJPFHTHQNJL-UHFFFAOYSA-N" } }, "CID:123631": { "type": "Drug", "properties": { "id": "CID:123631", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/123631", "label": "gefitinib", "ref": "LSM-1098", "FDA_Category_D_L1000_Similarity": 0.472067, "FDA_Category_D_Structural_Similarity": 1.46868, "FDA_Category_D_Weighted_Contribution": 1.71207, "FDA_Category_D_Top_Rank": -0.0202692, "FDA_Category_X_L1000_Similarity": 2.9608, "FDA_Category_X_Structural_Similarity": -0.0678364, "FDA_Category_X_Weighted_Contribution": 1.40258, "FDA_Category_X_Top_Rank": 0.484747, "FDA_Category_D_and_X_L1000_Similarity": 1.30607, "FDA_Category_D_and_X_Structural_Similarity": 1.1291, "FDA_Category_D_and_X_Weighted_Contribution": 1.7718, "FDA_Category_D_and_X_Top_Rank": -0.0437266, "Placenta_Crossing_L1000_Similarity": 0.564479, "Placenta_Crossing_Structural_Similarity": 0.328984, "Placenta_Crossing_Weighted_Contribution": 0.460217, "Placenta_Crossing_Top_Rank": -0.0743668, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4", "InChI_key": "XGALLCVXEZPNRQ-UHFFFAOYSA-N" } }, "CID:16222096": { "type": "Drug", "properties": { "id": "CID:16222096", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16222096", "label": "cobimetinib", "FDA_Category_D_L1000_Similarity": -2.57375, "FDA_Category_D_Structural_Similarity": 2.10669, "FDA_Category_D_Weighted_Contribution": 0.474653, "FDA_Category_D_Top_Rank": 0.0677721, "FDA_Category_X_L1000_Similarity": -2.15215, "FDA_Category_X_Structural_Similarity": -0.124816, "FDA_Category_X_Weighted_Contribution": -1.05867, "FDA_Category_X_Top_Rank": -0.082887, "FDA_Category_D_and_X_L1000_Similarity": -2.87217, "FDA_Category_D_and_X_Structural_Similarity": 1.60476, "FDA_Category_D_and_X_Weighted_Contribution": -0.137994, "FDA_Category_D_and_X_Top_Rank": -0.00522648, "Placenta_Crossing_L1000_Similarity": -3.20299, "Placenta_Crossing_Structural_Similarity": 1.14435, "Placenta_Crossing_Weighted_Contribution": -0.536635, "Placenta_Crossing_Top_Rank": -0.0430168, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O", "InChI_key": "BSMCAPRUBJMWDF-KRWDZBQOSA-N" } }, "CID:16666708": { "type": "Drug", "properties": { "id": "CID:16666708", "label": "azd-8330", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16666708", "FDA_Category_D_L1000_Similarity": -1.0321, "FDA_Category_D_Structural_Similarity": -0.212447, "FDA_Category_D_Weighted_Contribution": -0.77175, "FDA_Category_D_Top_Rank": -0.089771, "FDA_Category_X_L1000_Similarity": -1.30645, "FDA_Category_X_Structural_Similarity": -0.553304, "FDA_Category_X_Weighted_Contribution": -1.06188, "FDA_Category_X_Top_Rank": -0.0905326, "FDA_Category_D_and_X_L1000_Similarity": -1.28642, "FDA_Category_D_and_X_Structural_Similarity": -0.467182, "FDA_Category_D_and_X_Weighted_Contribution": -1.00625, "FDA_Category_D_and_X_Top_Rank": -0.0936747, "Placenta_Crossing_L1000_Similarity": -1.80192, "Placenta_Crossing_Structural_Similarity": 0.306331, "Placenta_Crossing_Weighted_Contribution": -0.632699, "Placenta_Crossing_Top_Rank": -0.0748956, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO", "InChI_key": "RWEVIPRMPFNTLO-UHFFFAOYSA-N" } }, "CID:2064": { "type": "Drug", "properties": { "id": "CID:2064", "label": "ag-957", "lsm": "LSM-2807", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2064", "FDA_Category_D_L1000_Similarity": 0.117273, "FDA_Category_D_Structural_Similarity": 1.72054, "FDA_Category_D_Weighted_Contribution": 1.7592, "FDA_Category_D_Top_Rank": 0.00902396, "FDA_Category_X_L1000_Similarity": 0.190551, "FDA_Category_X_Structural_Similarity": -0.699257, "FDA_Category_X_Weighted_Contribution": -0.6447, "FDA_Category_X_Top_Rank": -0.0860326, "FDA_Category_D_and_X_L1000_Similarity": 0.158969, "FDA_Category_D_and_X_Structural_Similarity": 0.9883, "FDA_Category_D_and_X_Weighted_Contribution": 0.938961, "FDA_Category_D_and_X_Top_Rank": -0.0537146, "Placenta_Crossing_L1000_Similarity": -0.36466, "Placenta_Crossing_Structural_Similarity": 1.39715, "Placenta_Crossing_Weighted_Contribution": 1.09232, "Placenta_Crossing_Top_Rank": -0.0269851, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O", "InChI_key": "QSFREBZMBNRGOK-UHFFFAOYSA-N" } }, "CID:24798764": { "type": "Drug", "properties": { "id": "CID:24798764", "label": "lomibuvir", "lsm": "LSM-5873", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24798764", "FDA_Category_D_L1000_Similarity": 1.98096, "FDA_Category_D_Structural_Similarity": -0.709157, "FDA_Category_D_Weighted_Contribution": 0.322122, "FDA_Category_D_Top_Rank": 0.183987, "FDA_Category_X_L1000_Similarity": 1.62463, "FDA_Category_X_Structural_Similarity": -0.0136249, "FDA_Category_X_Weighted_Contribution": 0.707002, "FDA_Category_X_Top_Rank": -0.0376139, "FDA_Category_D_and_X_L1000_Similarity": 2.20099, "FDA_Category_D_and_X_Structural_Similarity": -0.57022, "FDA_Category_D_and_X_Weighted_Contribution": 0.505593, "FDA_Category_D_and_X_Top_Rank": 0.219532, "Placenta_Crossing_L1000_Similarity": 1.12782, "Placenta_Crossing_Structural_Similarity": -0.300828, "Placenta_Crossing_Weighted_Contribution": 0.117993, "Placenta_Crossing_Top_Rank": -0.0654494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[C@@H]1CC[C@H](CC1)C(=O)N([C@@H]2CC[C@@H](O)CC2)c3cc(sc3C(O)=O)C#CC(C)(C)C", "InChI_key": "WPMJNLCLKAKMLA-VVPTUSLJSA-N" } }, "CID:25067890": { "type": "Drug", "properties": { "id": "CID:25067890", "label": "rk-682", "lsm": "LSM-1802", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25067890", "FDA_Category_D_L1000_Similarity": 1.33351, "FDA_Category_D_Structural_Similarity": 0.0546666, "FDA_Category_D_Weighted_Contribution": 0.723619, "FDA_Category_D_Top_Rank": -0.0341128, "FDA_Category_X_L1000_Similarity": 1.17861, "FDA_Category_X_Structural_Similarity": 0.774712, "FDA_Category_X_Weighted_Contribution": 1.34638, "FDA_Category_X_Top_Rank": -0.0507968, "FDA_Category_D_and_X_L1000_Similarity": 1.50742, "FDA_Category_D_and_X_Structural_Similarity": 0.461421, "FDA_Category_D_and_X_Weighted_Contribution": 1.18383, "FDA_Category_D_and_X_Top_Rank": -0.0222859, "Placenta_Crossing_L1000_Similarity": 1.35314, "Placenta_Crossing_Structural_Similarity": -0.603696, "Placenta_Crossing_Weighted_Contribution": -0.0593186, "Placenta_Crossing_Top_Rank": -0.0521643, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCCCCCCCC(=O)C1C(=O)C(OC1=O)CO", "InChI_key": "CPQQKPHTOQWKMF-UHFFFAOYSA-N" } }, "CID:2728620": { "type": "Drug", "properties": { "id": "CID:2728620", "label": "rjc-00245sc", "lsm": "LSM-4908", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2728620", "FDA_Category_D_L1000_Similarity": -2.35187, "FDA_Category_D_Structural_Similarity": -0.957132, "FDA_Category_D_Weighted_Contribution": -1.52924, "FDA_Category_D_Top_Rank": -0.0970044, "FDA_Category_X_L1000_Similarity": -2.93486, "FDA_Category_X_Structural_Similarity": -0.465996, "FDA_Category_X_Weighted_Contribution": -1.43396, "FDA_Category_X_Top_Rank": -0.0893099, "FDA_Category_D_and_X_L1000_Similarity": -2.91862, "FDA_Category_D_and_X_Structural_Similarity": -1.01114, "FDA_Category_D_and_X_Weighted_Contribution": -1.60247, "FDA_Category_D_and_X_Top_Rank": -0.0967313, "Placenta_Crossing_L1000_Similarity": -3.07715, "Placenta_Crossing_Structural_Similarity": -0.522584, "Placenta_Crossing_Weighted_Contribution": -1.43563, "Placenta_Crossing_Top_Rank": -0.0898839, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(COC2=CC=C(C=C2)F)(C3=CC=C(C=C3)Cl)O)Cl", "InChI_key": "HUGIUMYAEHKODD-UHFFFAOYSA-N" } }, "CID:2762": { "type": "Drug", "properties": { "id": "CID:2762", "label": "cinoxacin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2762", "FDA_Category_D_L1000_Similarity": 0.705806, "FDA_Category_D_Structural_Similarity": 0.459231, "FDA_Category_D_Weighted_Contribution": 0.763259, "FDA_Category_D_Top_Rank": -0.0725383, "FDA_Category_X_L1000_Similarity": 1.84561, "FDA_Category_X_Structural_Similarity": 0.771422, "FDA_Category_X_Weighted_Contribution": 1.72137, "FDA_Category_X_Top_Rank": -0.0134185, "FDA_Category_D_and_X_L1000_Similarity": 1.16889, "FDA_Category_D_and_X_Structural_Similarity": 0.780754, "FDA_Category_D_and_X_Weighted_Contribution": 1.32257, "FDA_Category_D_and_X_Top_Rank": -0.0572914, "Placenta_Crossing_L1000_Similarity": 0.969236, "Placenta_Crossing_Structural_Similarity": -0.552517, "Placenta_Crossing_Weighted_Contribution": -0.188733, "Placenta_Crossing_Top_Rank": -0.071467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3", "InChI_key": "VDUWPHTZYNWKRN-UHFFFAOYSA-N" } }, "CID:3111": { "type": "Drug", "properties": { "id": "CID:3111", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3111", "label": "metamizole", "FDA_Category_D_L1000_Similarity": 1.16572, "FDA_Category_D_Structural_Similarity": -0.849029, "FDA_Category_D_Weighted_Contribution": -0.26209, "FDA_Category_D_Top_Rank": -0.0520884, "FDA_Category_X_L1000_Similarity": 1.22616, "FDA_Category_X_Structural_Similarity": -0.296645, "FDA_Category_X_Weighted_Contribution": 0.190753, "FDA_Category_X_Top_Rank": -0.0630663, "FDA_Category_D_and_X_L1000_Similarity": 1.37722, "FDA_Category_D_and_X_Structural_Similarity": -0.833954, "FDA_Category_D_and_X_Weighted_Contribution": -0.188013, "FDA_Category_D_and_X_Top_Rank": -0.039807, "Placenta_Crossing_L1000_Similarity": 0.381018, "Placenta_Crossing_Structural_Similarity": -0.036121, "Placenta_Crossing_Weighted_Contribution": 0.00969052, "Placenta_Crossing_Top_Rank": -0.0829954, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O", "InChI_key": "LVWZTYCIRDMTEY-UHFFFAOYSA-N" } }, "CID:3169": { "type": "Drug", "properties": { "id": "CID:3169", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3169", "label": "dropropizine", "FDA_Category_D_L1000_Similarity": 1.62206, "FDA_Category_D_Structural_Similarity": -0.71785, "FDA_Category_D_Weighted_Contribution": 0.105159, "FDA_Category_D_Top_Rank": 0.0203601, "FDA_Category_X_L1000_Similarity": 3.20856, "FDA_Category_X_Structural_Similarity": -0.476504, "FDA_Category_X_Weighted_Contribution": 1.07793, "FDA_Category_X_Top_Rank": 0.94419, "FDA_Category_D_and_X_L1000_Similarity": 2.37262, "FDA_Category_D_and_X_Structural_Similarity": -0.826886, "FDA_Category_D_and_X_Weighted_Contribution": 0.343386, "FDA_Category_D_and_X_Top_Rank": 0.338636, "Placenta_Crossing_L1000_Similarity": 2.92779, "Placenta_Crossing_Structural_Similarity": -0.86307, "Placenta_Crossing_Weighted_Contribution": 0.467266, "Placenta_Crossing_Top_Rank": 0.804136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCN1CC(CO)O)C2=CC=CC=C2", "InChI_key": "PTVWPYVOOKLBCG-UHFFFAOYSA-N" } }, "CID:3354": { "type": "Drug", "properties": { "id": "CID:3354", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3354", "label": "flavoxate", "FDA_Category_D_L1000_Similarity": 1.35906, "FDA_Category_D_Structural_Similarity": 0.266459, "FDA_Category_D_Weighted_Contribution": 0.968511, "FDA_Category_D_Top_Rank": -0.0305353, "FDA_Category_X_L1000_Similarity": 1.25611, "FDA_Category_X_Structural_Similarity": -0.182755, "FDA_Category_X_Weighted_Contribution": 0.32452, "FDA_Category_X_Top_Rank": -0.0613451, "FDA_Category_D_and_X_L1000_Similarity": 1.55299, "FDA_Category_D_and_X_Structural_Similarity": 0.112878, "FDA_Category_D_and_X_Weighted_Contribution": 0.839147, "FDA_Category_D_and_X_Top_Rank": -0.015113, "Placenta_Crossing_L1000_Similarity": 0.773011, "Placenta_Crossing_Structural_Similarity": -0.10543, "Placenta_Crossing_Weighted_Contribution": 0.13282, "Placenta_Crossing_Top_Rank": -0.0770999, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4", "InChI_key": "SPIUTQOUKAMGCX-UHFFFAOYSA-N" } }, "CID:39981": { "type": "Drug", "properties": { "id": "CID:39981", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID39981", "label": "sparfosic acid", "FDA_Category_D_L1000_Similarity": 2.11789, "FDA_Category_D_Structural_Similarity": -0.695341, "FDA_Category_D_Weighted_Contribution": 0.41812, "FDA_Category_D_Top_Rank": 0.312982, "FDA_Category_X_L1000_Similarity": 0.824361, "FDA_Category_X_Structural_Similarity": -0.576257, "FDA_Category_X_Weighted_Contribution": -0.273898, "FDA_Category_X_Top_Rank": -0.0763191, "FDA_Category_D_and_X_L1000_Similarity": 2.076, "FDA_Category_D_and_X_Structural_Similarity": -0.862848, "FDA_Category_D_and_X_Weighted_Contribution": 0.145388, "FDA_Category_D_and_X_Top_Rank": 0.132278, "Placenta_Crossing_L1000_Similarity": 2.79538, "Placenta_Crossing_Structural_Similarity": -0.948315, "Placenta_Crossing_Weighted_Contribution": 0.312767, "Placenta_Crossing_Top_Rank": 0.570164, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O", "InChI_key": "ZZKNRXZVGOYGJT-VKHMYHEASA-N" } }, "CID:4246": { "type": "Drug", "properties": { "id": "CID:4246", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4246", "label": "Monocrotaline", "FDA_Category_D_L1000_Similarity": 1.68862, "FDA_Category_D_Structural_Similarity": 0.709961, "FDA_Category_D_Weighted_Contribution": 1.66235, "FDA_Category_D_Top_Rank": 0.0379584, "FDA_Category_X_L1000_Similarity": 2.60425, "FDA_Category_X_Structural_Similarity": -0.653377, "FDA_Category_X_Weighted_Contribution": 0.542765, "FDA_Category_X_Top_Rank": 0.222701, "FDA_Category_D_and_X_L1000_Similarity": 2.24648, "FDA_Category_D_and_X_Structural_Similarity": 0.210946, "FDA_Category_D_and_X_Weighted_Contribution": 1.35919, "FDA_Category_D_and_X_Top_Rank": 0.255821, "Placenta_Crossing_L1000_Similarity": 2.27168, "Placenta_Crossing_Structural_Similarity": -0.270091, "Placenta_Crossing_Weighted_Contribution": 0.738816, "Placenta_Crossing_Top_Rank": 0.142331, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44251485": { "type": "Drug", "properties": { "id": "CID:44251485", "label": "vu-0405172-2", "lsm": "LSM-2937", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44251485", "FDA_Category_D_L1000_Similarity": 0.763988, "FDA_Category_D_Structural_Similarity": -0.792808, "FDA_Category_D_Weighted_Contribution": -0.413968, "FDA_Category_D_Top_Rank": -0.0773116, "FDA_Category_X_L1000_Similarity": 1.29713, "FDA_Category_X_Structural_Similarity": -0.663005, "FDA_Category_X_Weighted_Contribution": -0.135345, "FDA_Category_X_Top_Rank": -0.0593905, "FDA_Category_D_and_X_L1000_Similarity": 1.05248, "FDA_Category_D_and_X_Structural_Similarity": -0.987017, "FDA_Category_D_and_X_Weighted_Contribution": -0.467169, "FDA_Category_D_and_X_Top_Rank": -0.065855, "Placenta_Crossing_L1000_Similarity": 1.17595, "Placenta_Crossing_Structural_Similarity": -0.972984, "Placenta_Crossing_Weighted_Contribution": -0.454713, "Placenta_Crossing_Top_Rank": -0.0629815, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)COC3=C(C=C(C=C3)F)Cl)C", "InChI_key": "OGGYCTMNWHLDPZ-UHFFFAOYSA-N" } }, "CID:443007": { "type": "Drug", "properties": { "id": "CID:443007", "label": "fillalbin", "lsm": "LSM-2629", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/443007", "FDA_Category_D_L1000_Similarity": 2.00995, "FDA_Category_D_Structural_Similarity": 4.11513, "FDA_Category_D_Weighted_Contribution": 4.08794, "FDA_Category_D_Top_Rank": 0.564585, "FDA_Category_X_L1000_Similarity": 0.792955, "FDA_Category_X_Structural_Similarity": 0.315932, "FDA_Category_X_Weighted_Contribution": 0.611487, "FDA_Category_X_Top_Rank": -0.0691511, "FDA_Category_D_and_X_L1000_Similarity": 1.97341, "FDA_Category_D_and_X_Structural_Similarity": 3.43671, "FDA_Category_D_and_X_Weighted_Contribution": 3.73955, "FDA_Category_D_and_X_Top_Rank": 0.356304, "Placenta_Crossing_L1000_Similarity": 1.55015, "Placenta_Crossing_Structural_Similarity": 1.60836, "Placenta_Crossing_Weighted_Contribution": 2.32351, "Placenta_Crossing_Top_Rank": -0.0118281, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "OZKTVDIYALBSMA-ITGUQSILSA-N" } }, "CID:44487652": { "type": "Drug", "properties": { "id": "CID:44487652", "label": "SA-85268", "lsm": "LSM-15087", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44487652", "FDA_Category_D_L1000_Similarity": -0.0800792, "FDA_Category_D_Structural_Similarity": -0.882658, "FDA_Category_D_Weighted_Contribution": -0.848121, "FDA_Category_D_Top_Rank": -0.0928654, "FDA_Category_X_L1000_Similarity": 0.400692, "FDA_Category_X_Structural_Similarity": 0.236098, "FDA_Category_X_Weighted_Contribution": 0.314857, "FDA_Category_X_Top_Rank": -0.0719699, "FDA_Category_D_and_X_L1000_Similarity": 0.0526552, "FDA_Category_D_and_X_Structural_Similarity": -0.573179, "FDA_Category_D_and_X_Weighted_Contribution": -0.579931, "FDA_Category_D_and_X_Top_Rank": -0.0917269, "Placenta_Crossing_L1000_Similarity": 1.14115, "Placenta_Crossing_Structural_Similarity": -0.31459, "Placenta_Crossing_Weighted_Contribution": 0.11127, "Placenta_Crossing_Top_Rank": -0.0648395, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44488330": { "type": "Drug", "properties": { "id": "CID:44488330", "label": "SA-85148", "lsm": "LSM-15086", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488330", "FDA_Category_D_L1000_Similarity": -0.373406, "FDA_Category_D_Structural_Similarity": -0.188222, "FDA_Category_D_Weighted_Contribution": -0.464107, "FDA_Category_D_Top_Rank": -0.0892377, "FDA_Category_X_L1000_Similarity": -0.326153, "FDA_Category_X_Structural_Similarity": 0.0745969, "FDA_Category_X_Weighted_Contribution": -0.205171, "FDA_Category_X_Top_Rank": -0.0778678, "FDA_Category_D_and_X_L1000_Similarity": -0.420928, "FDA_Category_D_and_X_Structural_Similarity": -0.109142, "FDA_Category_D_and_X_Weighted_Contribution": -0.425841, "FDA_Category_D_and_X_Top_Rank": -0.0884994, "Placenta_Crossing_L1000_Similarity": 0.129442, "Placenta_Crossing_Structural_Similarity": -0.355386, "Placenta_Crossing_Weighted_Contribution": -0.384267, "Placenta_Crossing_Top_Rank": -0.08728, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505479": { "type": "Drug", "properties": { "id": "CID:44505479", "label": "SA-419010", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505479", "FDA_Category_D_L1000_Similarity": 1.59631, "FDA_Category_X_L1000_Similarity": 0.930662, "FDA_Category_D_and_X_L1000_Similarity": 1.65867, "Placenta_Crossing_L1000_Similarity": 1.16243, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44640176": { "type": "Drug", "properties": { "id": "CID:44640176", "label": "ku-c104493", "lsm": "LSM-2344", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44640176", "FDA_Category_D_L1000_Similarity": -1.76157, "FDA_Category_D_Structural_Similarity": -0.842628, "FDA_Category_D_Weighted_Contribution": -1.35643, "FDA_Category_D_Top_Rank": -0.0967098, "FDA_Category_X_L1000_Similarity": -2.00467, "FDA_Category_X_Structural_Similarity": -0.5908, "FDA_Category_X_Weighted_Contribution": -1.27628, "FDA_Category_X_Top_Rank": -0.0909705, "FDA_Category_D_and_X_L1000_Similarity": -2.12728, "FDA_Category_D_and_X_Structural_Similarity": -0.987598, "FDA_Category_D_and_X_Weighted_Contribution": -1.45878, "FDA_Category_D_and_X_Top_Rank": -0.0966661, "Placenta_Crossing_L1000_Similarity": -2.89537, "Placenta_Crossing_Structural_Similarity": -0.930224, "Placenta_Crossing_Weighted_Contribution": -1.54305, "Placenta_Crossing_Top_Rank": -0.092259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC=C1C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=CC=CO5)C6=CC=CC=C6", "InChI_key": "KCEINUXVJMDYCM-UHFFFAOYSA-N" } }, "CID:446556": { "type": "Drug", "properties": { "id": "CID:446556", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446556", "label": "pemetrexed", "FDA_Category_D_L1000_Similarity": 2.15857, "FDA_Category_D_Structural_Similarity": 1.15745, "FDA_Category_D_Weighted_Contribution": 2.40204, "FDA_Category_D_Top_Rank": 0.338589, "FDA_Category_X_L1000_Similarity": 1.09229, "FDA_Category_X_Structural_Similarity": 2.07981, "FDA_Category_X_Weighted_Contribution": 2.69915, "FDA_Category_X_Top_Rank": 0.0497005, "FDA_Category_D_and_X_L1000_Similarity": 2.19243, "FDA_Category_D_and_X_Structural_Similarity": 2.04094, "FDA_Category_D_and_X_Weighted_Contribution": 3.03425, "FDA_Category_D_and_X_Top_Rank": 0.210718, "Placenta_Crossing_L1000_Similarity": 1.67245, "Placenta_Crossing_Structural_Similarity": 0.0950231, "Placenta_Crossing_Weighted_Contribution": 0.803747, "Placenta_Crossing_Top_Rank": -0.0190468, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O", "InChI_key": "WBXPDJSOTKVWSJ-ZDUSSCGKSA-N" } }, "CID:46742339": { "type": "Drug", "properties": { "id": "CID:46742339", "label": "vu-0418933-1", "lsm": "LSM-4813", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46742339", "FDA_Category_D_L1000_Similarity": -1.25155, "FDA_Category_D_Structural_Similarity": -0.950417, "FDA_Category_D_Weighted_Contribution": -1.27151, "FDA_Category_D_Top_Rank": -0.0965824, "FDA_Category_X_L1000_Similarity": -2.26523, "FDA_Category_X_Structural_Similarity": -0.690423, "FDA_Category_X_Weighted_Contribution": -1.38573, "FDA_Category_X_Top_Rank": -0.0918818, "FDA_Category_D_and_X_L1000_Similarity": -1.76676, "FDA_Category_D_and_X_Structural_Similarity": -1.12691, "FDA_Category_D_and_X_Weighted_Contribution": -1.43647, "FDA_Category_D_and_X_Top_Rank": -0.0967671, "Placenta_Crossing_L1000_Similarity": -2.786, "Placenta_Crossing_Structural_Similarity": -0.970396, "Placenta_Crossing_Weighted_Contribution": -1.53825, "Placenta_Crossing_Top_Rank": -0.0923803, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCC(CC1)C2CCN(C2)C3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5", "InChI_key": "JNMZVPMPLIWXEY-UHFFFAOYSA-N" } }, "CID:4713": { "type": "Drug", "properties": { "id": "CID:4713", "label": "pd-98059", "lsm": "LSM-3394", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4713", "ref": "LSM-3394", "FDA_Category_D_L1000_Similarity": 1.22586, "FDA_Category_D_Structural_Similarity": -0.621638, "FDA_Category_D_Weighted_Contribution": -0.0243078, "FDA_Category_D_Top_Rank": -0.0459936, "FDA_Category_X_L1000_Similarity": 0.720911, "FDA_Category_X_Structural_Similarity": -0.666236, "FDA_Category_X_Weighted_Contribution": -0.39933, "FDA_Category_X_Top_Rank": -0.078751, "FDA_Category_D_and_X_L1000_Similarity": 1.27564, "FDA_Category_D_and_X_Structural_Similarity": -0.852901, "FDA_Category_D_and_X_Weighted_Contribution": -0.253776, "FDA_Category_D_and_X_Top_Rank": -0.0490277, "Placenta_Crossing_L1000_Similarity": 1.60353, "Placenta_Crossing_Structural_Similarity": -1.00671, "Placenta_Crossing_Weighted_Contribution": -0.303506, "Placenta_Crossing_Top_Rank": -0.0280955, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2", "InChI_key": "QFWCYNPOPKQOKV-UHFFFAOYSA-N" } }, "CID:4908": { "type": "Drug", "properties": { "id": "CID:4908", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4908", "label": "primaquine", "FDA_Category_D_L1000_Similarity": -0.306787, "FDA_Category_D_Structural_Similarity": 1.43547, "FDA_Category_D_Weighted_Contribution": 1.1799, "FDA_Category_D_Top_Rank": -0.0238172, "FDA_Category_X_L1000_Similarity": 0.489393, "FDA_Category_X_Structural_Similarity": -0.489896, "FDA_Category_X_Weighted_Contribution": -0.346489, "FDA_Category_X_Top_Rank": -0.0826528, "FDA_Category_D_and_X_L1000_Similarity": -0.115847, "FDA_Category_D_and_X_Structural_Similarity": 0.875007, "FDA_Category_D_and_X_Weighted_Contribution": 0.65693, "FDA_Category_D_and_X_Top_Rank": -0.0596101, "Placenta_Crossing_L1000_Similarity": 0.249184, "Placenta_Crossing_Structural_Similarity": 0.549311, "Placenta_Crossing_Weighted_Contribution": 0.522382, "Placenta_Crossing_Top_Rank": -0.0682439, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2", "InChI_key": "INDBQLZJXZLFIT-UHFFFAOYSA-N" } }, "CID:5282272": { "type": "Drug", "properties": { "id": "CID:5282272", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282272", "label": "anandamide", "FDA_Category_D_L1000_Similarity": 1.22513, "FDA_Category_D_Structural_Similarity": -0.830021, "FDA_Category_D_Weighted_Contribution": -0.214792, "FDA_Category_D_Top_Rank": -0.0461637, "FDA_Category_X_L1000_Similarity": 1.02959, "FDA_Category_X_Structural_Similarity": 0.838844, "FDA_Category_X_Weighted_Contribution": 1.33447, "FDA_Category_X_Top_Rank": -0.0482667, "FDA_Category_D_and_X_L1000_Similarity": 1.36875, "FDA_Category_D_and_X_Structural_Similarity": -0.206162, "FDA_Category_D_and_X_Weighted_Contribution": 0.401529, "FDA_Category_D_and_X_Top_Rank": -0.0406318, "Placenta_Crossing_L1000_Similarity": 0.84871, "Placenta_Crossing_Structural_Similarity": -0.574298, "Placenta_Crossing_Weighted_Contribution": -0.261139, "Placenta_Crossing_Top_Rank": -0.0750367, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC=CCC=CCC=CCCCCCCC(=O)NCCO", "InChI_key": "ULQWKETUACYZLI-QNEBEIHSSA-N" } }, "CID:53245473": { "type": "Drug", "properties": { "id": "CID:53245473", "label": "tul-xxi039", "lsm": "LSM-29350", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53245473", "FDA_Category_D_L1000_Similarity": 2.6187, "FDA_Category_D_Structural_Similarity": 3.50635, "FDA_Category_D_Weighted_Contribution": 4.01494, "FDA_Category_D_Top_Rank": 1.17295, "FDA_Category_X_L1000_Similarity": 2.99334, "FDA_Category_X_Structural_Similarity": -0.607338, "FDA_Category_X_Weighted_Contribution": 0.808584, "FDA_Category_X_Top_Rank": 0.53959, "FDA_Category_D_and_X_L1000_Similarity": 3.16638, "FDA_Category_D_and_X_Structural_Similarity": 2.45532, "FDA_Category_D_and_X_Weighted_Contribution": 3.60335, "FDA_Category_D_and_X_Top_Rank": 2.91897, "Placenta_Crossing_L1000_Similarity": 3.00141, "Placenta_Crossing_Structural_Similarity": 2.65271, "Placenta_Crossing_Weighted_Contribution": 3.61193, "Placenta_Crossing_Top_Rank": 1.00673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)NC3CC(NC3)CNC(=O)C", "InChI_key": "KAAADIFKRHNJHA-LSDHHAIUSA-N" } }, "CID:5334": { "type": "Drug", "properties": { "id": "CID:5334", "label": "sulfanitran", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5334", "FDA_Category_D_L1000_Similarity": 1.00221, "FDA_Category_D_Structural_Similarity": 2.11161, "FDA_Category_D_Weighted_Contribution": 2.65757, "FDA_Category_D_Top_Rank": 0.0682823, "FDA_Category_X_L1000_Similarity": -0.324619, "FDA_Category_X_Structural_Similarity": -0.664068, "FDA_Category_X_Weighted_Contribution": -0.810882, "FDA_Category_X_Top_Rank": -0.089373, "FDA_Category_D_and_X_L1000_Similarity": 0.765346, "FDA_Category_D_and_X_Structural_Similarity": 1.31768, "FDA_Category_D_and_X_Weighted_Contribution": 1.65233, "FDA_Category_D_and_X_Top_Rank": -0.0296181, "Placenta_Crossing_L1000_Similarity": 0.803613, "Placenta_Crossing_Structural_Similarity": 2.17428, "Placenta_Crossing_Weighted_Contribution": 2.49802, "Placenta_Crossing_Top_Rank": 0.0508413, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-]", "InChI_key": "GWBPFRGXNGPPMF-UHFFFAOYSA-N" } }, "CID:53347979": { "type": "Drug", "properties": { "id": "CID:53347979", "label": "BG-STK33-03", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53347979", "FDA_Category_D_L1000_Similarity": 0.673161, "FDA_Category_D_Structural_Similarity": -0.788115, "FDA_Category_D_Weighted_Contribution": -0.453619, "FDA_Category_D_Top_Rank": -0.0805328, "FDA_Category_X_L1000_Similarity": -0.70491, "FDA_Category_X_Structural_Similarity": -0.600304, "FDA_Category_X_Weighted_Contribution": -0.898925, "FDA_Category_X_Top_Rank": -0.0906597, "FDA_Category_D_and_X_L1000_Similarity": 0.366199, "FDA_Category_D_and_X_Structural_Similarity": -0.949459, "FDA_Category_D_and_X_Weighted_Contribution": -0.724633, "FDA_Category_D_and_X_Top_Rank": -0.0879924, "Placenta_Crossing_L1000_Similarity": 0.871363, "Placenta_Crossing_Structural_Similarity": -0.726695, "Placenta_Crossing_Weighted_Contribution": -0.380083, "Placenta_Crossing_Top_Rank": -0.0743986, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5358": { "type": "Drug", "properties": { "id": "CID:5358", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5358", "label": "sumatriptan", "ref": "LSM-5618", "FDA_Category_D_L1000_Similarity": 0.389, "FDA_Category_D_Structural_Similarity": 0.68214, "FDA_Category_D_Weighted_Contribution": 0.803468, "FDA_Category_D_Top_Rank": -0.0648492, "FDA_Category_X_L1000_Similarity": -0.452687, "FDA_Category_X_Structural_Similarity": 0.725016, "FDA_Category_X_Weighted_Contribution": 0.38016, "FDA_Category_X_Top_Rank": -0.0529887, "FDA_Category_D_and_X_L1000_Similarity": 0.197847, "FDA_Category_D_and_X_Structural_Similarity": 0.932639, "FDA_Category_D_and_X_Weighted_Contribution": 0.902926, "FDA_Category_D_and_X_Top_Rank": -0.0566256, "Placenta_Crossing_L1000_Similarity": 0.637302, "Placenta_Crossing_Structural_Similarity": 0.367819, "Placenta_Crossing_Weighted_Contribution": 0.538327, "Placenta_Crossing_Top_Rank": -0.0733155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C", "InChI_key": "KQKPFRSPSRPDEB-UHFFFAOYSA-N" } }, "CID:54657141": { "type": "Drug", "properties": { "id": "CID:54657141", "label": "SA-1462678", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54657141", "FDA_Category_D_L1000_Similarity": 0.684079, "FDA_Category_D_Structural_Similarity": -0.720934, "FDA_Category_D_Weighted_Contribution": -0.39321, "FDA_Category_D_Top_Rank": -0.0801529, "FDA_Category_X_L1000_Similarity": 1.37778, "FDA_Category_X_Structural_Similarity": -0.410035, "FDA_Category_X_Weighted_Contribution": 0.152478, "FDA_Category_X_Top_Rank": -0.0543636, "FDA_Category_D_and_X_L1000_Similarity": 1.0081, "FDA_Category_D_and_X_Structural_Similarity": -0.793468, "FDA_Category_D_and_X_Weighted_Contribution": -0.330319, "FDA_Category_D_and_X_Top_Rank": -0.0686402, "Placenta_Crossing_L1000_Similarity": 2.05903, "Placenta_Crossing_Structural_Similarity": -0.652215, "Placenta_Crossing_Weighted_Contribution": 0.235834, "Placenta_Crossing_Top_Rank": 0.060932, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54668530": { "type": "Drug", "properties": { "id": "CID:54668530", "label": "SA-1920722", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54668530", "FDA_Category_D_L1000_Similarity": 0.161719, "FDA_Category_D_Structural_Similarity": -0.689345, "FDA_Category_D_Weighted_Contribution": -0.610837, "FDA_Category_D_Top_Rank": -0.09064, "FDA_Category_X_L1000_Similarity": -0.594438, "FDA_Category_X_Structural_Similarity": 0.720407, "FDA_Category_X_Weighted_Contribution": 0.300543, "FDA_Category_X_Top_Rank": -0.0531745, "FDA_Category_D_and_X_L1000_Similarity": -0.0411101, "FDA_Category_D_and_X_Structural_Similarity": -0.158414, "FDA_Category_D_and_X_Weighted_Contribution": -0.290932, "FDA_Category_D_and_X_Top_Rank": -0.0894497, "Placenta_Crossing_L1000_Similarity": 0.428157, "Placenta_Crossing_Structural_Similarity": -0.283197, "Placenta_Crossing_Weighted_Contribution": -0.193301, "Placenta_Crossing_Top_Rank": -0.0840841, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54676478": { "type": "Drug", "properties": { "id": "CID:54676478", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54676478", "label": "roquinimex", "FDA_Category_D_L1000_Similarity": 0.998969, "FDA_Category_D_Structural_Similarity": -0.265049, "FDA_Category_D_Weighted_Contribution": 0.191153, "FDA_Category_D_Top_Rank": -0.0654273, "FDA_Category_X_L1000_Similarity": -0.533227, "FDA_Category_X_Structural_Similarity": 0.571677, "FDA_Category_X_Weighted_Contribution": 0.178393, "FDA_Category_X_Top_Rank": -0.0588899, "FDA_Category_D_and_X_L1000_Similarity": 0.699198, "FDA_Category_D_and_X_Structural_Similarity": 0.0981013, "FDA_Category_D_and_X_Weighted_Contribution": 0.330351, "FDA_Category_D_and_X_Top_Rank": -0.0812359, "Placenta_Crossing_L1000_Similarity": 1.51156, "Placenta_Crossing_Structural_Similarity": 0.45704, "Placenta_Crossing_Weighted_Contribution": 1.10498, "Placenta_Crossing_Top_Rank": -0.038692, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O", "InChI_key": "SGOOQMRIPALTEL-UHFFFAOYSA-N" } }, "CID:6009": { "type": "Drug", "properties": { "id": "CID:6009", "label": "aminophenazone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6009", "FDA_Category_D_L1000_Similarity": -0.483868, "FDA_Category_D_Structural_Similarity": -0.777101, "FDA_Category_D_Weighted_Contribution": -0.932396, "FDA_Category_D_Top_Rank": -0.0950744, "FDA_Category_X_L1000_Similarity": 1.54976, "FDA_Category_X_Structural_Similarity": -0.565208, "FDA_Category_X_Weighted_Contribution": 0.0827993, "FDA_Category_X_Top_Rank": -0.0439852, "FDA_Category_D_and_X_L1000_Similarity": 0.0535402, "FDA_Category_D_and_X_Structural_Similarity": -0.921779, "FDA_Category_D_and_X_Weighted_Contribution": -0.824113, "FDA_Category_D_and_X_Top_Rank": -0.0917202, "Placenta_Crossing_L1000_Similarity": 0.314085, "Placenta_Crossing_Structural_Similarity": 0.649036, "Placenta_Crossing_Weighted_Contribution": 0.66074, "Placenta_Crossing_Top_Rank": -0.064798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C", "InChI_key": "RMMXTBMQSGEXHJ-UHFFFAOYSA-N" } }, "CID:60194076": { "type": "Drug", "properties": { "id": "CID:60194076", "label": "md-ii-008-p", "lsm": "LSM-4526", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60194076", "FDA_Category_D_L1000_Similarity": -1.9481, "FDA_Category_X_L1000_Similarity": -2.05714, "FDA_Category_D_and_X_L1000_Similarity": -2.30401, "Placenta_Crossing_L1000_Similarity": -1.99114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCC=CC2=O", "InChI_key": "FQRKTLQLLNVYMI-CMDGGOBGSA-N" } }, "CID:6610216": { "type": "Drug", "properties": { "id": "CID:6610216", "label": "dl-pdmp", "lsm": "LSM-6211", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610216", "FDA_Category_D_L1000_Similarity": -0.345381, "FDA_Category_D_Structural_Similarity": -0.951385, "FDA_Category_D_Weighted_Contribution": -0.989549, "FDA_Category_D_Top_Rank": -0.094473, "FDA_Category_X_L1000_Similarity": 4.34952, "FDA_Category_X_Structural_Similarity": -0.73607, "FDA_Category_X_Weighted_Contribution": 1.43301, "FDA_Category_X_Top_Rank": 8.93401, "FDA_Category_D_and_X_L1000_Similarity": 1.02314, "FDA_Category_D_and_X_Structural_Similarity": -1.15231, "FDA_Category_D_and_X_Weighted_Contribution": -0.606059, "FDA_Category_D_and_X_Top_Rank": -0.0676215, "Placenta_Crossing_L1000_Similarity": 1.21124, "Placenta_Crossing_Structural_Similarity": -1.0436, "Placenta_Crossing_Weighted_Contribution": -0.49655, "Placenta_Crossing_Top_Rank": -0.0611622, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCCC(=O)NC(CN1CCOCC1)C(C2=CC=CC=C2)O", "InChI_key": "UYNCFCUHRNOSCN-FYYLOGMGSA-N" } }, "CID:6918454": { "type": "Drug", "properties": { "id": "CID:6918454", "label": "ci-1040", "lsm": "LSM-1048", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918454", "FDA_Category_D_L1000_Similarity": -0.00235502, "FDA_Category_X_L1000_Similarity": -0.526497, "FDA_Category_D_and_X_L1000_Similarity": -0.161916, "Placenta_Crossing_L1000_Similarity": -0.350498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl", "InChI_key": "GFMMXOIFOQCCGU-UHFFFAOYSA-N" } }, "CID:71317558": { "type": "Drug", "properties": { "id": "CID:71317558", "label": "niguldipine", "lsm": "LSM-4436", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/71317558", "FDA_Category_D_L1000_Similarity": -2.34589, "FDA_Category_X_L1000_Similarity": 1.32112, "FDA_Category_D_and_X_L1000_Similarity": -1.621, "Placenta_Crossing_L1000_Similarity": -1.95764, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCN1C(=C(C(C(=C1C)C(=O)ON2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC)C", "InChI_key": "SLTFTBXXKKDMPA-UHFFFAOYSA-N" } }, "CID:9863672": { "type": "Drug", "properties": { "id": "CID:9863672", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9863672", "label": "ripasudil", "FDA_Category_D_L1000_Similarity": 0.499375, "FDA_Category_D_Structural_Similarity": -0.646057, "FDA_Category_D_Weighted_Contribution": -0.42072, "FDA_Category_D_Top_Rank": -0.0852815, "FDA_Category_X_L1000_Similarity": 1.36049, "FDA_Category_X_Structural_Similarity": -0.663006, "FDA_Category_X_Weighted_Contribution": -0.105262, "FDA_Category_X_Top_Rank": -0.0554244, "FDA_Category_D_and_X_L1000_Similarity": 0.843631, "FDA_Category_D_and_X_Structural_Similarity": -0.87054, "FDA_Category_D_and_X_Weighted_Contribution": -0.46764, "FDA_Category_D_and_X_Top_Rank": -0.0762246, "Placenta_Crossing_L1000_Similarity": 0.995657, "Placenta_Crossing_Structural_Similarity": 0.87013, "Placenta_Crossing_Weighted_Contribution": 1.26863, "Placenta_Crossing_Top_Rank": -0.0565131, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F", "InChI_key": "QSKQVZWVLOIIEV-NSHDSACASA-N" } }, "CID:9906875": { "type": "Drug", "properties": { "id": "CID:9906875", "label": "lfm-a13", "lsm": "LSM-1445", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9906875", "FDA_Category_D_L1000_Similarity": 0.900186, "FDA_Category_D_Structural_Similarity": -0.723454, "FDA_Category_D_Weighted_Contribution": -0.288063, "FDA_Category_D_Top_Rank": -0.0714233, "FDA_Category_X_L1000_Similarity": -0.388458, "FDA_Category_X_Structural_Similarity": -0.625546, "FDA_Category_X_Weighted_Contribution": -0.806179, "FDA_Category_X_Top_Rank": -0.0896291, "FDA_Category_D_and_X_L1000_Similarity": 0.658005, "FDA_Category_D_and_X_Structural_Similarity": -0.911757, "FDA_Category_D_and_X_Weighted_Contribution": -0.579361, "FDA_Category_D_and_X_Top_Rank": -0.0822619, "Placenta_Crossing_L1000_Similarity": 0.688015, "Placenta_Crossing_Structural_Similarity": -0.883939, "Placenta_Crossing_Weighted_Contribution": -0.578215, "Placenta_Crossing_Top_Rank": -0.0791858, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br", "InChI_key": "BQLDGDMKDYAGNE-UHFFFAOYSA-N" } }, "CID:10275789": { "type": "Drug", "properties": { "id": "CID:10275789", "label": "pik-75", "lsm": "LSM-6039", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10275789", "FDA_Category_D_L1000_Similarity": 0.306644, "FDA_Category_D_Structural_Similarity": 3.37369, "FDA_Category_D_Weighted_Contribution": 3.31764, "FDA_Category_D_Top_Rank": 0.319101, "FDA_Category_X_L1000_Similarity": -1.84404, "FDA_Category_X_Structural_Similarity": 0.60944, "FDA_Category_X_Weighted_Contribution": -0.406102, "FDA_Category_X_Top_Rank": -0.0572154, "FDA_Category_D_and_X_L1000_Similarity": -0.295674, "FDA_Category_D_and_X_Structural_Similarity": 3.0066, "FDA_Category_D_and_X_Weighted_Contribution": 2.69999, "FDA_Category_D_and_X_Top_Rank": 0.212442, "Placenta_Crossing_L1000_Similarity": -0.759362, "Placenta_Crossing_Structural_Similarity": 1.45494, "Placenta_Crossing_Weighted_Contribution": 0.938824, "Placenta_Crossing_Top_Rank": -0.0229114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)Br", "InChI_key": "QTHCAAFKVUWAFI-DJKKODMXSA-N" } }, "CID:1092458": { "type": "Drug", "properties": { "id": "CID:1092458", "label": "DAC-013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1092458", "FDA_Category_D_L1000_Similarity": 2.71224, "FDA_Category_X_L1000_Similarity": 2.16264, "FDA_Category_D_and_X_L1000_Similarity": 2.99475, "Placenta_Crossing_L1000_Similarity": 2.40979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11304743": { "type": "Drug", "properties": { "id": "CID:11304743", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11304743", "label": "riociguat", "FDA_Category_D_L1000_Similarity": 0.644456, "FDA_Category_D_Structural_Similarity": 1.38324, "FDA_Category_D_Weighted_Contribution": 1.72867, "FDA_Category_D_Top_Rank": -0.028166, "FDA_Category_X_L1000_Similarity": 1.35221, "FDA_Category_X_Structural_Similarity": -0.0719081, "FDA_Category_X_Weighted_Contribution": 0.493934, "FDA_Category_X_Top_Rank": -0.056017, "FDA_Category_D_and_X_L1000_Similarity": 0.966176, "FDA_Category_D_and_X_Structural_Similarity": 1.05909, "FDA_Category_D_and_X_Weighted_Contribution": 1.49816, "FDA_Category_D_and_X_Top_Rank": -0.0493811, "Placenta_Crossing_L1000_Similarity": -0.0258894, "Placenta_Crossing_Structural_Similarity": -0.110756, "Placenta_Crossing_Weighted_Contribution": -0.243965, "Placenta_Crossing_Top_Rank": -0.0844027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC", "InChI_key": "WXXSNCNJFUAIDG-UHFFFAOYSA-N" } }, "CID:11364421": { "type": "Drug", "properties": { "id": "CID:11364421", "label": "bi-2536", "lsm": "LSM-1041", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11364421", "FDA_Category_D_L1000_Similarity": -1.61186, "FDA_Category_D_Structural_Similarity": -0.456985, "FDA_Category_D_Weighted_Contribution": -1.13, "FDA_Category_D_Top_Rank": -0.0936181, "FDA_Category_X_L1000_Similarity": -0.131828, "FDA_Category_X_Structural_Similarity": 0.377012, "FDA_Category_X_Weighted_Contribution": 0.184729, "FDA_Category_X_Top_Rank": -0.0667447, "FDA_Category_D_and_X_L1000_Similarity": -1.42948, "FDA_Category_D_and_X_Structural_Similarity": -0.159281, "FDA_Category_D_and_X_Weighted_Contribution": -0.868487, "FDA_Category_D_and_X_Top_Rank": -0.0894722, "Placenta_Crossing_L1000_Similarity": -1.13939, "Placenta_Crossing_Structural_Similarity": -0.262979, "Placenta_Crossing_Weighted_Contribution": -0.797148, "Placenta_Crossing_Top_Rank": -0.0869097, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C", "InChI_key": "XQVVPGYIWAGRNI-JOCHJYFZSA-N" } }, "CID:11434515": { "type": "Drug", "properties": { "id": "CID:11434515", "label": "aclidinium", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11434515", "FDA_Category_D_L1000_Similarity": 1.03394, "FDA_Category_D_Structural_Similarity": 0.987983, "FDA_Category_D_Weighted_Contribution": 1.54854, "FDA_Category_D_Top_Rank": -0.0509757, "FDA_Category_X_L1000_Similarity": 1.15896, "FDA_Category_X_Structural_Similarity": -0.345198, "FDA_Category_X_Weighted_Contribution": 0.107325, "FDA_Category_X_Top_Rank": -0.0660273, "FDA_Category_D_and_X_L1000_Similarity": 1.24323, "FDA_Category_D_and_X_Structural_Similarity": 0.597907, "FDA_Category_D_and_X_Weighted_Contribution": 1.17139, "FDA_Category_D_and_X_Top_Rank": -0.0520045, "Placenta_Crossing_L1000_Similarity": 2.43162, "Placenta_Crossing_Structural_Similarity": 1.60815, "Placenta_Crossing_Weighted_Contribution": 2.72611, "Placenta_Crossing_Top_Rank": 0.233869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5", "InChI_key": "ASMXXROZKSBQIH-VITNCHFBSA-N" } }, "CID:11647372": { "type": "Drug", "properties": { "id": "CID:11647372", "label": "zstk-474", "lsm": "LSM-1053", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11647372", "FDA_Category_D_L1000_Similarity": -1.8795, "FDA_Category_D_Structural_Similarity": 1.71683, "FDA_Category_D_Weighted_Contribution": 0.491992, "FDA_Category_D_Top_Rank": 0.00837062, "FDA_Category_X_L1000_Similarity": -0.295323, "FDA_Category_X_Structural_Similarity": -0.590456, "FDA_Category_X_Weighted_Contribution": -0.746713, "FDA_Category_X_Top_Rank": -0.0892557, "FDA_Category_D_and_X_L1000_Similarity": -1.70985, "FDA_Category_D_and_X_Structural_Similarity": 1.04406, "FDA_Category_D_and_X_Weighted_Contribution": -0.0561287, "FDA_Category_D_and_X_Top_Rank": -0.0502203, "Placenta_Crossing_L1000_Similarity": -1.12322, "Placenta_Crossing_Structural_Similarity": 2.07178, "Placenta_Crossing_Weighted_Contribution": 1.40542, "Placenta_Crossing_Top_Rank": 0.0373826, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5", "InChI_key": "HGVNLRPZOWWDKD-UHFFFAOYSA-N" } }, "CID:148124": { "type": "Drug", "properties": { "id": "CID:148124", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID148124", "label": "docetaxel", "FDA_Category_D_L1000_Similarity": -0.213257, "FDA_Category_D_Structural_Similarity": 2.58682, "FDA_Category_D_Weighted_Contribution": 2.4405, "FDA_Category_D_Top_Rank": 0.144384, "FDA_Category_X_L1000_Similarity": -1.22287, "FDA_Category_X_Structural_Similarity": 1.36541, "FDA_Category_X_Weighted_Contribution": 0.656301, "FDA_Category_X_Top_Rank": -0.0173186, "FDA_Category_D_and_X_L1000_Similarity": -0.555196, "FDA_Category_D_and_X_Structural_Similarity": 2.78996, "FDA_Category_D_and_X_Weighted_Contribution": 2.3807, "FDA_Category_D_and_X_Top_Rank": 0.15215, "Placenta_Crossing_L1000_Similarity": -1.13681, "Placenta_Crossing_Structural_Similarity": 0.486197, "Placenta_Crossing_Weighted_Contribution": -0.214865, "Placenta_Crossing_Top_Rank": -0.0699318, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O", "InChI_key": "ZDZOTLJHXYCWBA-VCVYQWHSSA-N" } }, "CID:151289": { "type": "Drug", "properties": { "id": "CID:151289", "label": "evodiamine", "lsm": "LSM-6483", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/151289", "FDA_Category_D_L1000_Similarity": 0.979629, "FDA_Category_D_Structural_Similarity": 0.95746, "FDA_Category_D_Weighted_Contribution": 1.48082, "FDA_Category_D_Top_Rank": -0.0522692, "FDA_Category_X_L1000_Similarity": 2.36967, "FDA_Category_X_Structural_Similarity": 11.3391, "FDA_Category_X_Weighted_Contribution": 4.72399, "FDA_Category_X_Top_Rank": 6.67602, "FDA_Category_D_and_X_L1000_Similarity": 1.56408, "FDA_Category_D_and_X_Structural_Similarity": 6.87847, "FDA_Category_D_and_X_Weighted_Contribution": 4.32634, "FDA_Category_D_and_X_Top_Rank": 3.4856, "Placenta_Crossing_L1000_Similarity": 2.23306, "Placenta_Crossing_Structural_Similarity": 4.96481, "Placenta_Crossing_Weighted_Contribution": 4.19812, "Placenta_Crossing_Top_Rank": 1.00673, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3", "InChI_key": "TXDUTHBFYKGSAH-UHFFFAOYSA-N" } }, "CID:1687": { "type": "Drug", "properties": { "id": "CID:1687", "label": "3-CPMT", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1687", "FDA_Category_D_L1000_Similarity": 0.746982, "FDA_Category_D_Structural_Similarity": 2.02616, "FDA_Category_D_Weighted_Contribution": 2.44206, "FDA_Category_D_Top_Rank": 0.0516491, "FDA_Category_X_L1000_Similarity": -0.860576, "FDA_Category_X_Structural_Similarity": -0.30391, "FDA_Category_X_Weighted_Contribution": -0.74398, "FDA_Category_X_Top_Rank": -0.0865811, "FDA_Category_D_and_X_L1000_Similarity": 0.382564, "FDA_Category_D_and_X_Structural_Similarity": 1.4442, "FDA_Category_D_and_X_Weighted_Contribution": 1.55957, "FDA_Category_D_and_X_Top_Rank": -0.0201883, "Placenta_Crossing_L1000_Similarity": -0.387974, "Placenta_Crossing_Structural_Similarity": -0.446906, "Placenta_Crossing_Weighted_Contribution": -0.659016, "Placenta_Crossing_Top_Rank": -0.0892026, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1714884": { "type": "Drug", "properties": { "id": "CID:1714884", "label": "ac-55649", "lsm": "LSM-6290", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1714884", "FDA_Category_D_L1000_Similarity": 1.06576, "FDA_Category_D_Structural_Similarity": 0.495557, "FDA_Category_D_Weighted_Contribution": 1.03101, "FDA_Category_D_Top_Rank": -0.0610013, "FDA_Category_X_L1000_Similarity": 2.72032, "FDA_Category_X_Structural_Similarity": 1.15065, "FDA_Category_X_Weighted_Contribution": 2.58872, "FDA_Category_X_Top_Rank": 0.30346, "FDA_Category_D_and_X_L1000_Similarity": 1.74481, "FDA_Category_D_and_X_Structural_Similarity": 1.01422, "FDA_Category_D_and_X_Weighted_Contribution": 1.90648, "FDA_Category_D_and_X_Top_Rank": 0.0215086, "Placenta_Crossing_L1000_Similarity": 2.37503, "Placenta_Crossing_Structural_Similarity": 1.66695, "Placenta_Crossing_Weighted_Contribution": 2.7514, "Placenta_Crossing_Top_Rank": 0.200833, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O", "InChI_key": "HXBKPYIEQLLNBK-UHFFFAOYSA-N" } }, "CID:2116": { "type": "Drug", "properties": { "id": "CID:2116", "label": "dl-alpha-tocopherol", "lsm": "LSM-4487", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2116", "FDA_Category_D_L1000_Similarity": 1.16661, "FDA_Category_X_L1000_Similarity": 3.34813, "FDA_Category_D_and_X_L1000_Similarity": 2.0224, "Placenta_Crossing_L1000_Similarity": 2.11371, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C", "InChI_key": "GVJHHUAWPYXKBD-UHFFFAOYSA-N" } }, "CID:23635314": { "type": "Drug", "properties": { "id": "CID:23635314", "label": "kx-01", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23635314", "FDA_Category_D_L1000_Similarity": 0.164566, "FDA_Category_D_Structural_Similarity": 1.84096, "FDA_Category_D_Weighted_Contribution": 1.91575, "FDA_Category_D_Top_Rank": 0.0233522, "FDA_Category_X_L1000_Similarity": -1.00627, "FDA_Category_X_Structural_Similarity": 4.22631, "FDA_Category_X_Weighted_Contribution": 3.57222, "FDA_Category_X_Top_Rank": 0.698978, "FDA_Category_D_and_X_L1000_Similarity": -0.163726, "FDA_Category_D_and_X_Structural_Similarity": 3.74169, "FDA_Category_D_and_X_Weighted_Contribution": 3.2884, "FDA_Category_D_and_X_Top_Rank": 0.549438, "Placenta_Crossing_L1000_Similarity": -0.754667, "Placenta_Crossing_Structural_Similarity": 0.512865, "Placenta_Crossing_Weighted_Contribution": -0.0156418, "Placenta_Crossing_Top_Rank": -0.0690728, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4", "InChI_key": "HUNGUWOZPQBXGX-UHFFFAOYSA-N" } }, "CID:23729157": { "type": "Drug", "properties": { "id": "CID:23729157", "label": "tirasemtiv", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23729157", "FDA_Category_D_L1000_Similarity": 0.11775, "FDA_Category_D_Structural_Similarity": -0.43292, "FDA_Category_D_Weighted_Contribution": -0.429203, "FDA_Category_D_Top_Rank": -0.091083, "FDA_Category_X_L1000_Similarity": 0.79448, "FDA_Category_X_Structural_Similarity": -0.106482, "FDA_Category_X_Weighted_Contribution": 0.164348, "FDA_Category_X_Top_Rank": -0.0770377, "FDA_Category_D_and_X_L1000_Similarity": 0.34277, "FDA_Category_D_and_X_Structural_Similarity": -0.401072, "FDA_Category_D_and_X_Weighted_Contribution": -0.314066, "FDA_Category_D_and_X_Top_Rank": -0.0883543, "Placenta_Crossing_L1000_Similarity": 1.63321, "Placenta_Crossing_Structural_Similarity": 0.155567, "Placenta_Crossing_Weighted_Contribution": 0.847098, "Placenta_Crossing_Top_Rank": -0.0251534, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC)N1C2=NC(=CN=C2NC1=O)C#C", "InChI_key": "RSQGZEAXODVTOL-UHFFFAOYSA-N" } }, "CID:24360": { "type": "Drug", "properties": { "id": "CID:24360", "label": "camptothecin", "lsm": "LSM-4611", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24360", "FDA_Category_D_L1000_Similarity": 1.76048, "FDA_Category_D_Structural_Similarity": 7.33928, "FDA_Category_D_Weighted_Contribution": 4.46175, "FDA_Category_D_Top_Rank": 3.27473, "FDA_Category_X_L1000_Similarity": -2.63734, "FDA_Category_X_Structural_Similarity": -0.580002, "FDA_Category_X_Weighted_Contribution": -1.41906, "FDA_Category_X_Top_Rank": -0.0908485, "FDA_Category_D_and_X_L1000_Similarity": 0.716654, "FDA_Category_D_and_X_Structural_Similarity": 5.51232, "FDA_Category_D_and_X_Weighted_Contribution": 4.12485, "FDA_Category_D_and_X_Top_Rank": 1.74916, "Placenta_Crossing_L1000_Similarity": -1.08754, "Placenta_Crossing_Structural_Similarity": 1.13689, "Placenta_Crossing_Weighted_Contribution": 0.429359, "Placenta_Crossing_Top_Rank": -0.0434095, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O", "InChI_key": "VSJKWCGYPAHWDS-FQEVSTJZSA-N" } }, "CID:24747179": { "type": "Drug", "properties": { "id": "CID:24747179", "label": "PSH-003", "lsm": "LSM-3375", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747179", "FDA_Category_D_L1000_Similarity": 0.896735, "FDA_Category_X_L1000_Similarity": 1.57939, "FDA_Category_D_and_X_L1000_Similarity": 1.25263, "Placenta_Crossing_L1000_Similarity": 1.33576, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24963252": { "type": "Drug", "properties": { "id": "CID:24963252", "label": "tak-733", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24963252", "FDA_Category_D_L1000_Similarity": -1.92902, "FDA_Category_D_Structural_Similarity": -0.139881, "FDA_Category_D_Weighted_Contribution": -1.05736, "FDA_Category_D_Top_Rank": -0.0883469, "FDA_Category_X_L1000_Similarity": -2.07502, "FDA_Category_X_Structural_Similarity": 0.515758, "FDA_Category_X_Weighted_Contribution": -0.580395, "FDA_Category_X_Top_Rank": -0.0614192, "FDA_Category_D_and_X_L1000_Similarity": -2.29299, "FDA_Category_D_and_X_Structural_Similarity": 0.167275, "FDA_Category_D_and_X_Weighted_Contribution": -0.965234, "FDA_Category_D_and_X_Top_Rank": -0.0823518, "Placenta_Crossing_L1000_Similarity": -3.36112, "Placenta_Crossing_Structural_Similarity": -0.400156, "Placenta_Crossing_Weighted_Contribution": -1.4436, "Placenta_Crossing_Top_Rank": -0.0887134, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)CC(CO)O", "InChI_key": "RCLQNICOARASSR-SECBINFHSA-N" } }, "CID:25102847": { "type": "Drug", "properties": { "id": "CID:25102847", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID25102847", "label": "cabozantinib", "FDA_Category_D_L1000_Similarity": 0.334478, "FDA_Category_D_Structural_Similarity": -0.794225, "FDA_Category_D_Weighted_Contribution": -0.613641, "FDA_Category_D_Top_Rank": -0.0882704, "FDA_Category_X_L1000_Similarity": 2.39392, "FDA_Category_X_Structural_Similarity": -0.490981, "FDA_Category_X_Weighted_Contribution": 0.605148, "FDA_Category_X_Top_Rank": 0.112902, "FDA_Category_D_and_X_L1000_Similarity": 1.01532, "FDA_Category_D_and_X_Structural_Similarity": -0.895318, "FDA_Category_D_and_X_Weighted_Contribution": -0.410591, "FDA_Category_D_and_X_Top_Rank": -0.0681595, "Placenta_Crossing_L1000_Similarity": 1.85298, "Placenta_Crossing_Structural_Similarity": -0.334739, "Placenta_Crossing_Weighted_Contribution": 0.449915, "Placenta_Crossing_Top_Rank": 0.00910994, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F", "InChI_key": "ONIQOQHATWINJY-UHFFFAOYSA-N" } }, "CID:3033": { "type": "Drug", "properties": { "id": "CID:3033", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3033", "label": "diclofenac", "ref": "LSM-2160", "FDA_Category_D_L1000_Similarity": 0.608014, "FDA_Category_D_Structural_Similarity": 3.45782, "FDA_Category_D_Weighted_Contribution": 3.47873, "FDA_Category_D_Top_Rank": 0.342013, "FDA_Category_X_L1000_Similarity": 1.26537, "FDA_Category_X_Structural_Similarity": 0.0686693, "FDA_Category_X_Weighted_Contribution": 0.599579, "FDA_Category_X_Top_Rank": -0.0609828, "FDA_Category_D_and_X_L1000_Similarity": 0.908388, "FDA_Category_D_and_X_Structural_Similarity": 2.78157, "FDA_Category_D_and_X_Weighted_Contribution": 3.04921, "FDA_Category_D_and_X_Top_Rank": 0.147692, "Placenta_Crossing_L1000_Similarity": 1.59689, "Placenta_Crossing_Structural_Similarity": -0.201028, "Placenta_Crossing_Weighted_Contribution": 0.453803, "Placenta_Crossing_Top_Rank": -0.0290834, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl", "InChI_key": "DCOPUUMXTXDBNB-UHFFFAOYSA-N" } }, "CID:3166": { "type": "Drug", "properties": { "id": "CID:3166", "label": "drofenine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3166", "FDA_Category_D_L1000_Similarity": 1.02563, "FDA_Category_X_L1000_Similarity": 1.33372, "FDA_Category_D_and_X_L1000_Similarity": 1.28915, "Placenta_Crossing_L1000_Similarity": 1.55461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:3397": { "type": "Drug", "properties": { "id": "CID:3397", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3397", "label": "flutamide", "FDA_Category_D_L1000_Similarity": 0.562983, "FDA_Category_D_Structural_Similarity": 0.498753, "FDA_Category_D_Weighted_Contribution": 0.716004, "FDA_Category_D_Top_Rank": -0.0710513, "FDA_Category_X_L1000_Similarity": 0.016853, "FDA_Category_X_Structural_Similarity": 2.25787, "FDA_Category_X_Weighted_Contribution": 2.34122, "FDA_Category_X_Top_Rank": 0.0724534, "FDA_Category_D_and_X_L1000_Similarity": 0.490419, "FDA_Category_D_and_X_Structural_Similarity": 1.6142, "FDA_Category_D_and_X_Weighted_Contribution": 1.80063, "FDA_Category_D_and_X_Top_Rank": -0.00438613, "Placenta_Crossing_L1000_Similarity": 2.22026, "Placenta_Crossing_Structural_Similarity": 0.892965, "Placenta_Crossing_Weighted_Contribution": 1.95155, "Placenta_Crossing_Top_Rank": 0.118265, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F", "InChI_key": "MKXKFYHWDHIYRV-UHFFFAOYSA-N" } }, "CID:3961": { "type": "Drug", "properties": { "id": "CID:3961", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3961", "label": "losartan", "FDA_Category_D_L1000_Similarity": 2.9905, "FDA_Category_D_Structural_Similarity": 4.6439, "FDA_Category_D_Weighted_Contribution": 4.30564, "FDA_Category_D_Top_Rank": 3.72511, "FDA_Category_X_L1000_Similarity": 2.70553, "FDA_Category_X_Structural_Similarity": -0.480415, "FDA_Category_X_Weighted_Contribution": 0.789465, "FDA_Category_X_Top_Rank": 0.2976, "FDA_Category_D_and_X_L1000_Similarity": 3.39948, "FDA_Category_D_and_X_Structural_Similarity": 3.4267, "FDA_Category_D_and_X_Weighted_Contribution": 3.99712, "FDA_Category_D_and_X_Top_Rank": 11.3806, "Placenta_Crossing_L1000_Similarity": 3.2981, "Placenta_Crossing_Structural_Similarity": 0.108166, "Placenta_Crossing_Weighted_Contribution": 1.70378, "Placenta_Crossing_Top_Rank": 2.36293, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl", "InChI_key": "PSIFNNKUMBGKDQ-UHFFFAOYSA-N" } }, "CID:4078": { "type": "Drug", "properties": { "id": "CID:4078", "label": "mesoridazine", "lsm": "LSM-1329", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4078", "IDG_ID": "1712", "FDA_Category_D_L1000_Similarity": 0.241514, "FDA_Category_D_Structural_Similarity": -0.5845, "FDA_Category_D_Weighted_Contribution": -0.493149, "FDA_Category_D_Top_Rank": -0.0896265, "FDA_Category_X_L1000_Similarity": 2.53103, "FDA_Category_X_Structural_Similarity": -0.475057, "FDA_Category_X_Weighted_Contribution": 0.69829, "FDA_Category_X_Top_Rank": 0.17436, "FDA_Category_D_and_X_L1000_Similarity": 0.97682, "FDA_Category_D_and_X_Structural_Similarity": -0.720264, "FDA_Category_D_and_X_Weighted_Contribution": -0.283507, "FDA_Category_D_and_X_Top_Rank": -0.0704005, "Placenta_Crossing_L1000_Similarity": 1.54397, "Placenta_Crossing_Structural_Similarity": -0.130874, "Placenta_Crossing_Weighted_Contribution": 0.498295, "Placenta_Crossing_Top_Rank": -0.0350693, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C", "InChI_key": "SLVMESMUVMCQIY-UHFFFAOYSA-N" } }, "CID:41214": { "type": "Drug", "properties": { "id": "CID:41214", "label": "meglitinide", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/41214", "FDA_Category_D_L1000_Similarity": -0.694334, "FDA_Category_D_Structural_Similarity": -0.355531, "FDA_Category_D_Weighted_Contribution": -0.733413, "FDA_Category_D_Top_Rank": -0.0922867, "FDA_Category_X_L1000_Similarity": 1.92512, "FDA_Category_X_Structural_Similarity": 0.154578, "FDA_Category_X_Weighted_Contribution": 1.06524, "FDA_Category_X_Top_Rank": -0.00153441, "FDA_Category_D_and_X_L1000_Similarity": -0.0139035, "FDA_Category_D_and_X_Structural_Similarity": -0.19878, "FDA_Category_D_and_X_Weighted_Contribution": -0.312093, "FDA_Category_D_and_X_Top_Rank": -0.0902093, "Placenta_Crossing_L1000_Similarity": 1.69986, "Placenta_Crossing_Structural_Similarity": 2.17702, "Placenta_Crossing_Weighted_Contribution": 2.88787, "Placenta_Crossing_Top_Rank": 0.0512533, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4369270": { "type": "Drug", "properties": { "id": "CID:4369270", "label": "4-(3,14-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5h-furan-2-one", "lsm": "LSM-2401", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4369270", "FDA_Category_D_L1000_Similarity": -1.73879, "FDA_Category_X_L1000_Similarity": -3.28112, "FDA_Category_D_and_X_L1000_Similarity": -2.49528, "Placenta_Crossing_L1000_Similarity": -2.20894, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O", "InChI_key": "XZTUSOXSLKTKJQ-CESUGQOBSA-N" } }, "CID:4413": { "type": "Drug", "properties": { "id": "CID:4413", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4413", "label": "nafamostat", "FDA_Category_D_L1000_Similarity": -0.405801, "FDA_Category_D_Structural_Similarity": 0.266822, "FDA_Category_D_Weighted_Contribution": -0.0866104, "FDA_Category_D_Top_Rank": -0.0781213, "FDA_Category_X_L1000_Similarity": 1.78195, "FDA_Category_X_Structural_Similarity": -0.533154, "FDA_Category_X_Weighted_Contribution": 0.233566, "FDA_Category_X_Top_Rank": -0.0219558, "FDA_Category_D_and_X_L1000_Similarity": 0.191343, "FDA_Category_D_and_X_Structural_Similarity": -0.0759078, "FDA_Category_D_and_X_Weighted_Contribution": -0.105222, "FDA_Category_D_and_X_Top_Rank": -0.0878248, "Placenta_Crossing_L1000_Similarity": -0.658882, "Placenta_Crossing_Structural_Similarity": -0.521609, "Placenta_Crossing_Weighted_Contribution": -0.807122, "Placenta_Crossing_Top_Rank": -0.089876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N", "InChI_key": "MQQNFDZXWVTQEH-UHFFFAOYSA-N" } }, "CID:44492098": { "type": "Drug", "properties": { "id": "CID:44492098", "label": "sa-427543", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44492098", "FDA_Category_D_L1000_Similarity": 1.39689, "FDA_Category_X_L1000_Similarity": 1.17249, "FDA_Category_D_and_X_L1000_Similarity": 1.5602, "Placenta_Crossing_L1000_Similarity": 2.45769, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)CCCN(C)C", "InChI_key": "YRAOJEGTHQJVGH-GBXYDCMPSA-N" } }, "CID:4452": { "type": "Drug", "properties": { "id": "CID:4452", "label": "nemonapride", "lsm": "LSM-1726", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4452", "IDG_ID": "1895", "FDA_Category_D_L1000_Similarity": 0.0371309, "FDA_Category_D_Structural_Similarity": -0.471804, "FDA_Category_D_Weighted_Contribution": -0.498715, "FDA_Category_D_Top_Rank": -0.0918544, "FDA_Category_X_L1000_Similarity": 0.878878, "FDA_Category_X_Structural_Similarity": -0.300379, "FDA_Category_X_Weighted_Contribution": 0.0124964, "FDA_Category_X_Top_Rank": -0.07494, "FDA_Category_D_and_X_L1000_Similarity": 0.298914, "FDA_Category_D_and_X_Structural_Similarity": -0.536561, "FDA_Category_D_and_X_Weighted_Contribution": -0.44495, "FDA_Category_D_and_X_Top_Rank": -0.0889492, "Placenta_Crossing_L1000_Similarity": 1.92777, "Placenta_Crossing_Structural_Similarity": -0.356956, "Placenta_Crossing_Weighted_Contribution": 0.466031, "Placenta_Crossing_Top_Rank": 0.025866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl", "InChI_key": "KRVOJOCLBAAKSJ-UHFFFAOYSA-N" } }, "CID:448014": { "type": "Drug", "properties": { "id": "CID:448014", "label": "n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea", "lsm": "LSM-3514", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/448014", "FDA_Category_D_L1000_Similarity": 2.35426, "FDA_Category_D_Structural_Similarity": -0.331783, "FDA_Category_D_Weighted_Contribution": 0.951687, "FDA_Category_D_Top_Rank": 0.55691, "FDA_Category_X_L1000_Similarity": -0.622826, "FDA_Category_X_Structural_Similarity": -0.754619, "FDA_Category_X_Weighted_Contribution": -0.973822, "FDA_Category_X_Top_Rank": -0.0904262, "FDA_Category_D_and_X_L1000_Similarity": 1.84027, "FDA_Category_D_and_X_Structural_Similarity": -0.67053, "FDA_Category_D_and_X_Weighted_Contribution": 0.203476, "FDA_Category_D_and_X_Top_Rank": 0.0415875, "Placenta_Crossing_L1000_Similarity": 2.35941, "Placenta_Crossing_Structural_Similarity": -0.417674, "Placenta_Crossing_Weighted_Contribution": 0.630191, "Placenta_Crossing_Top_Rank": 0.180786, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-]", "InChI_key": "YAEMHJKFIIIULI-UHFFFAOYSA-N" } }, "CID:46224413": { "type": "Drug", "properties": { "id": "CID:46224413", "label": "nirogacestat", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46224413", "FDA_Category_D_L1000_Similarity": -0.781012, "FDA_Category_D_Structural_Similarity": 0.175027, "FDA_Category_D_Weighted_Contribution": -0.361411, "FDA_Category_D_Top_Rank": -0.0806478, "FDA_Category_X_L1000_Similarity": -0.643086, "FDA_Category_X_Structural_Similarity": -0.421198, "FDA_Category_X_Weighted_Contribution": -0.750233, "FDA_Category_X_Top_Rank": -0.0885725, "FDA_Category_D_and_X_L1000_Similarity": -0.868534, "FDA_Category_D_and_X_Structural_Similarity": -0.088355, "FDA_Category_D_and_X_Weighted_Contribution": -0.603439, "FDA_Category_D_and_X_Top_Rank": -0.0880826, "Placenta_Crossing_L1000_Similarity": 0.817662, "Placenta_Crossing_Structural_Similarity": 1.4021, "Placenta_Crossing_Weighted_Contribution": 1.74128, "Placenta_Crossing_Top_Rank": -0.0264167, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)NC2CCC3=C(C2)C(=CC(=C3)F)F", "InChI_key": "VFCRKLWBYMDAED-REWPJTCUSA-N" } }, "CID:46742345": { "type": "Drug", "properties": { "id": "CID:46742345", "label": "vu-0418939-2", "lsm": "LSM-3547", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46742345", "FDA_Category_D_L1000_Similarity": -2.19944, "FDA_Category_D_Structural_Similarity": -0.759183, "FDA_Category_D_Weighted_Contribution": -1.42643, "FDA_Category_D_Top_Rank": -0.0962652, "FDA_Category_X_L1000_Similarity": -2.44504, "FDA_Category_X_Structural_Similarity": -0.400037, "FDA_Category_X_Weighted_Contribution": -1.29109, "FDA_Category_X_Top_Rank": -0.0882057, "FDA_Category_D_and_X_L1000_Similarity": -2.63846, "FDA_Category_D_and_X_Structural_Similarity": -0.818432, "FDA_Category_D_and_X_Weighted_Contribution": -1.49848, "FDA_Category_D_and_X_Top_Rank": -0.0960374, "Placenta_Crossing_L1000_Similarity": -3.68865, "Placenta_Crossing_Structural_Similarity": -0.936428, "Placenta_Crossing_Weighted_Contribution": -1.6567, "Placenta_Crossing_Top_Rank": -0.0922746, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)CNC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4", "InChI_key": "SKLXOVZCZWTTRY-UHFFFAOYSA-N" } }, "CID:46742354": { "type": "Drug", "properties": { "id": "CID:46742354", "label": "vu-0418947-2", "lsm": "LSM-3725", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46742354", "FDA_Category_D_L1000_Similarity": -1.93679, "FDA_Category_D_Structural_Similarity": -0.887361, "FDA_Category_D_Weighted_Contribution": -1.41646, "FDA_Category_D_Top_Rank": -0.0969129, "FDA_Category_X_L1000_Similarity": -1.9635, "FDA_Category_X_Structural_Similarity": -0.542885, "FDA_Category_X_Weighted_Contribution": -1.24116, "FDA_Category_X_Top_Rank": -0.0903883, "FDA_Category_D_and_X_L1000_Similarity": -2.26582, "FDA_Category_D_and_X_Structural_Similarity": -0.997249, "FDA_Category_D_and_X_Weighted_Contribution": -1.48856, "FDA_Category_D_and_X_Top_Rank": -0.0966872, "Placenta_Crossing_L1000_Similarity": -3.27784, "Placenta_Crossing_Structural_Similarity": -0.949391, "Placenta_Crossing_Weighted_Contribution": -1.60565, "Placenta_Crossing_Top_Rank": -0.0923136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=CC(=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5", "InChI_key": "MWRDNBONCUGSBY-UHFFFAOYSA-N" } }, "CID:4977": { "type": "Drug", "properties": { "id": "CID:4977", "label": "proxyphylline", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4977", "FDA_Category_D_L1000_Similarity": 0.318857, "FDA_Category_D_Structural_Similarity": 1.54452, "FDA_Category_D_Weighted_Contribution": 1.6972, "FDA_Category_D_Top_Rank": -0.011838, "FDA_Category_X_L1000_Similarity": -0.705627, "FDA_Category_X_Structural_Similarity": 1.86007, "FDA_Category_X_Weighted_Contribution": 1.50873, "FDA_Category_X_Top_Rank": 0.0224651, "FDA_Category_D_and_X_L1000_Similarity": 0.0605809, "FDA_Category_D_and_X_Structural_Similarity": 2.22959, "FDA_Category_D_and_X_Weighted_Contribution": 2.17658, "FDA_Category_D_and_X_Top_Rank": 0.0658344, "Placenta_Crossing_L1000_Similarity": 0.282865, "Placenta_Crossing_Structural_Similarity": 3.02822, "Placenta_Crossing_Weighted_Contribution": 2.99027, "Placenta_Crossing_Top_Rank": 0.202495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O", "InChI_key": "KYHQZNGJUGFTGR-UHFFFAOYSA-N" } }, "CID:49836027": { "type": "Drug", "properties": { "id": "CID:49836027", "label": "torin-1", "lsm": "LSM-1079", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49836027", "FDA_Category_D_L1000_Similarity": -1.51005, "FDA_Category_D_Structural_Similarity": -0.715741, "FDA_Category_D_Weighted_Contribution": -1.23179, "FDA_Category_D_Top_Rank": -0.0959751, "FDA_Category_X_L1000_Similarity": -1.86014, "FDA_Category_X_Structural_Similarity": -0.483688, "FDA_Category_X_Weighted_Contribution": -1.18175, "FDA_Category_X_Top_Rank": -0.0895685, "FDA_Category_D_and_X_L1000_Similarity": -1.86659, "FDA_Category_D_and_X_Structural_Similarity": -0.829089, "FDA_Category_D_and_X_Weighted_Contribution": -1.34317, "FDA_Category_D_and_X_Top_Rank": -0.09609, "Placenta_Crossing_L1000_Similarity": -1.70721, "Placenta_Crossing_Structural_Similarity": -0.671762, "Placenta_Crossing_Weighted_Contribution": -1.20143, "Placenta_Crossing_Top_Rank": -0.0910598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F", "InChI_key": "AKCRNFFTGXBONI-UHFFFAOYSA-N" } }, "CID:5280343": { "type": "Drug", "properties": { "id": "CID:5280343", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280343", "label": "quercetin", "FDA_Category_D_L1000_Similarity": 0.468951, "FDA_Category_D_Structural_Similarity": 0.434725, "FDA_Category_D_Weighted_Contribution": 0.589546, "FDA_Category_D_Top_Rank": -0.0733321, "FDA_Category_X_L1000_Similarity": 1.0249, "FDA_Category_X_Structural_Similarity": -0.674721, "FDA_Category_X_Weighted_Contribution": -0.272191, "FDA_Category_X_Top_Rank": -0.0707017, "FDA_Category_D_and_X_L1000_Similarity": 0.715492, "FDA_Category_D_and_X_Structural_Similarity": -0.0190302, "FDA_Category_D_and_X_Weighted_Contribution": 0.223907, "FDA_Category_D_and_X_Top_Rank": -0.0807879, "Placenta_Crossing_L1000_Similarity": 0.629955, "Placenta_Crossing_Structural_Similarity": -0.108742, "Placenta_Crossing_Weighted_Contribution": 0.0602482, "Placenta_Crossing_Top_Rank": -0.0804141, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O", "InChI_key": "REFJWTPEDVJJIY-UHFFFAOYSA-N" } }, "CID:5280953": { "type": "Drug", "properties": { "id": "CID:5280953", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280953", "label": "7-methoxy-1-methyl-9h-beta-carboline", "FDA_Category_D_L1000_Similarity": 1.33385, "FDA_Category_D_Structural_Similarity": 0.350055, "FDA_Category_D_Weighted_Contribution": 1.04355, "FDA_Category_D_Top_Rank": -0.033863, "FDA_Category_X_L1000_Similarity": -2.0436, "FDA_Category_X_Structural_Similarity": 0.100798, "FDA_Category_X_Weighted_Contribution": -0.877637, "FDA_Category_X_Top_Rank": -0.07707, "FDA_Category_D_and_X_L1000_Similarity": 0.529202, "FDA_Category_D_and_X_Structural_Similarity": 0.332233, "FDA_Category_D_and_X_Weighted_Contribution": 0.470176, "FDA_Category_D_and_X_Top_Rank": -0.0786512, "Placenta_Crossing_L1000_Similarity": 1.29429, "Placenta_Crossing_Structural_Similarity": 0.00121967, "Placenta_Crossing_Weighted_Contribution": 0.503891, "Placenta_Crossing_Top_Rank": -0.0560561, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC", "InChI_key": "BXNJHAXVSOCGBA-UHFFFAOYSA-N" } }, "CID:5281614": { "type": "Drug", "properties": { "id": "CID:5281614", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281614", "label": "fisetin", "FDA_Category_D_L1000_Similarity": 0.265331, "FDA_Category_D_Structural_Similarity": 0.437329, "FDA_Category_D_Weighted_Contribution": 0.467554, "FDA_Category_D_Top_Rank": -0.0732234, "FDA_Category_X_L1000_Similarity": 1.66249, "FDA_Category_X_Structural_Similarity": -0.676032, "FDA_Category_X_Weighted_Contribution": 0.0287225, "FDA_Category_X_Top_Rank": -0.0339803, "FDA_Category_D_and_X_L1000_Similarity": 0.733588, "FDA_Category_D_and_X_Structural_Similarity": -0.0176701, "FDA_Category_D_and_X_Weighted_Contribution": 0.235141, "FDA_Category_D_and_X_Top_Rank": -0.0801398, "Placenta_Crossing_L1000_Similarity": 0.269402, "Placenta_Crossing_Structural_Similarity": -0.130929, "Placenta_Crossing_Weighted_Contribution": -0.129368, "Placenta_Crossing_Top_Rank": -0.0848094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O", "InChI_key": "XHEFDIBZLJXQHF-UHFFFAOYSA-N" } }, "CID:5282219": { "type": "Drug", "properties": { "id": "CID:5282219", "label": "sofalcone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282219", "FDA_Category_D_L1000_Similarity": 0.788198, "FDA_Category_D_Structural_Similarity": -0.801061, "FDA_Category_D_Weighted_Contribution": -0.40908, "FDA_Category_D_Top_Rank": -0.0764972, "FDA_Category_X_L1000_Similarity": 0.888391, "FDA_Category_X_Structural_Similarity": -0.490098, "FDA_Category_X_Weighted_Contribution": -0.165091, "FDA_Category_X_Top_Rank": -0.0747626, "FDA_Category_D_and_X_L1000_Similarity": 0.949234, "FDA_Category_D_and_X_Structural_Similarity": -0.900268, "FDA_Category_D_and_X_Weighted_Contribution": -0.444281, "FDA_Category_D_and_X_Top_Rank": -0.0718205, "Placenta_Crossing_L1000_Similarity": 0.100339, "Placenta_Crossing_Structural_Similarity": 0.422239, "Placenta_Crossing_Weighted_Contribution": 0.31611, "Placenta_Crossing_Top_Rank": -0.0718867, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C", "InChI_key": "GFWRVVCDTLRWPK-KPKJPENVSA-N" } }, "CID:5283454": { "type": "Drug", "properties": { "id": "CID:5283454", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5283454", "label": "oleoylethanolamide", "FDA_Category_D_L1000_Similarity": 1.36166, "FDA_Category_X_L1000_Similarity": 1.05682, "FDA_Category_D_and_X_L1000_Similarity": 1.49471, "Placenta_Crossing_L1000_Similarity": 1.39414, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCCCCC=CCCCCCCCC(=O)NCCO", "InChI_key": "BOWVQLFMWHZBEF-KTKRTIGZSA-N" } }, "CID:5312111": { "type": "Drug", "properties": { "id": "CID:5312111", "label": "nf-449", "lsm": "LSM-4605", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312111", "FDA_Category_D_L1000_Similarity": 1.35379, "FDA_Category_D_Structural_Similarity": -0.782613, "FDA_Category_D_Weighted_Contribution": -0.104117, "FDA_Category_D_Top_Rank": -0.0311721, "FDA_Category_X_L1000_Similarity": 0.287048, "FDA_Category_X_Structural_Similarity": -0.565547, "FDA_Category_X_Weighted_Contribution": -0.498107, "FDA_Category_X_Top_Rank": -0.0850798, "FDA_Category_D_and_X_L1000_Similarity": 1.25416, "FDA_Category_D_and_X_Structural_Similarity": -0.926337, "FDA_Category_D_and_X_Weighted_Contribution": -0.326093, "FDA_Category_D_and_X_Top_Rank": -0.0511277, "Placenta_Crossing_L1000_Similarity": 0.550468, "Placenta_Crossing_Structural_Similarity": -0.861985, "Placenta_Crossing_Weighted_Contribution": -0.614127, "Placenta_Crossing_Top_Rank": -0.0820898, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC(=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=CC(=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC6=CC(=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O", "InChI_key": "CPISLWFLHGUZHF-UHFFFAOYSA-N" } }, "CID:53245456": { "type": "Drug", "properties": { "id": "CID:53245456", "label": "TUL_XIX003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53245456", "FDA_Category_D_L1000_Similarity": 1.61729, "FDA_Category_D_Structural_Similarity": -0.449204, "FDA_Category_D_Weighted_Contribution": 0.369923, "FDA_Category_D_Top_Rank": 0.0180153, "FDA_Category_X_L1000_Similarity": 0.139374, "FDA_Category_X_Structural_Similarity": -0.576656, "FDA_Category_X_Weighted_Contribution": -0.567773, "FDA_Category_X_Top_Rank": -0.086538, "FDA_Category_D_and_X_L1000_Similarity": 1.43646, "FDA_Category_D_and_X_Structural_Similarity": -0.6677, "FDA_Category_D_and_X_Weighted_Contribution": -0.00844991, "FDA_Category_D_and_X_Top_Rank": -0.0321562, "Placenta_Crossing_L1000_Similarity": 1.74993, "Placenta_Crossing_Structural_Similarity": 1.38273, "Placenta_Crossing_Weighted_Contribution": 2.20339, "Placenta_Crossing_Top_Rank": -0.00777798, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:54454": { "type": "Drug", "properties": { "id": "CID:54454", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54454", "label": "simvastatin", "FDA_Category_D_L1000_Similarity": -1.5334, "FDA_Category_D_Structural_Similarity": 0.214465, "FDA_Category_D_Weighted_Contribution": -0.676824, "FDA_Category_D_Top_Rank": -0.0795296, "FDA_Category_X_L1000_Similarity": 3.84226, "FDA_Category_X_Structural_Similarity": 6.17286, "FDA_Category_X_Weighted_Contribution": 4.65278, "FDA_Category_X_Top_Rank": 3.77289, "FDA_Category_D_and_X_L1000_Similarity": -0.154986, "FDA_Category_D_and_X_Structural_Similarity": 3.50108, "FDA_Category_D_and_X_Weighted_Contribution": 3.13536, "FDA_Category_D_and_X_Top_Rank": 0.391943, "Placenta_Crossing_L1000_Similarity": -0.510503, "Placenta_Crossing_Structural_Similarity": 1.52357, "Placenta_Crossing_Weighted_Contribution": 1.14899, "Placenta_Crossing_Top_Rank": -0.0179881, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C", "InChI_key": "RYMZZMVNJRMUDD-HGQWONQESA-N" } }, "CID:54660437": { "type": "Drug", "properties": { "id": "CID:54660437", "label": "SA-1459714", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54660437", "FDA_Category_D_L1000_Similarity": 1.16597, "FDA_Category_D_Structural_Similarity": -0.293684, "FDA_Category_D_Weighted_Contribution": 0.259914, "FDA_Category_D_Top_Rank": -0.0519974, "FDA_Category_X_L1000_Similarity": 1.30253, "FDA_Category_X_Structural_Similarity": -0.192527, "FDA_Category_X_Weighted_Contribution": 0.338683, "FDA_Category_X_Top_Rank": -0.0591418, "FDA_Category_D_and_X_L1000_Similarity": 1.40062, "FDA_Category_D_and_X_Structural_Similarity": -0.336988, "FDA_Category_D_and_X_Weighted_Contribution": 0.288803, "FDA_Category_D_and_X_Top_Rank": -0.0367401, "Placenta_Crossing_L1000_Similarity": 0.892834, "Placenta_Crossing_Structural_Similarity": 0.251415, "Placenta_Crossing_Weighted_Contribution": 0.552048, "Placenta_Crossing_Top_Rank": -0.0738469, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5656": { "type": "Drug", "properties": { "id": "CID:5656", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5656", "label": "venlafaxine", "FDA_Category_D_L1000_Similarity": 1.15762, "FDA_Category_D_Structural_Similarity": -0.405366, "FDA_Category_D_Weighted_Contribution": 0.144575, "FDA_Category_D_Top_Rank": -0.0528041, "FDA_Category_X_L1000_Similarity": 1.59726, "FDA_Category_X_Structural_Similarity": -0.352598, "FDA_Category_X_Weighted_Contribution": 0.325436, "FDA_Category_X_Top_Rank": -0.039753, "FDA_Category_D_and_X_L1000_Similarity": 1.48294, "FDA_Category_D_and_X_Structural_Similarity": -0.512005, "FDA_Category_D_and_X_Weighted_Contribution": 0.163069, "FDA_Category_D_and_X_Top_Rank": -0.0255554, "Placenta_Crossing_L1000_Similarity": 1.93176, "Placenta_Crossing_Structural_Similarity": -0.794906, "Placenta_Crossing_Weighted_Contribution": 0.0359105, "Placenta_Crossing_Top_Rank": 0.0273067, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O", "InChI_key": "PNVNVHUZROJLTJ-UHFFFAOYSA-N" } }, "CID:5702164": { "type": "Drug", "properties": { "id": "CID:5702164", "label": "puromycin", "lsm": "LSM-1431", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702164", "FDA_Category_D_L1000_Similarity": -3.13295, "FDA_Category_D_Structural_Similarity": -0.667784, "FDA_Category_D_Weighted_Contribution": -1.58224, "FDA_Category_D_Top_Rank": -0.0956056, "FDA_Category_X_L1000_Similarity": -2.99614, "FDA_Category_X_Structural_Similarity": -0.537624, "FDA_Category_X_Weighted_Contribution": -1.4761, "FDA_Category_X_Top_Rank": -0.0903156, "FDA_Category_D_and_X_L1000_Similarity": -3.61053, "FDA_Category_D_and_X_Structural_Similarity": -0.820129, "FDA_Category_D_and_X_Weighted_Contribution": -1.65247, "FDA_Category_D_and_X_Top_Rank": -0.0960442, "Placenta_Crossing_L1000_Similarity": -3.7239, "Placenta_Crossing_Structural_Similarity": 3.99847, "Placenta_Crossing_Weighted_Contribution": 2.04306, "Placenta_Crossing_Top_Rank": 0.503315, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O", "InChI_key": "RXWNCPJZOCPEPQ-DYKMBDCPSA-N" } }, "CID:57469": { "type": "Drug", "properties": { "id": "CID:57469", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID57469", "label": "imiquimod", "FDA_Category_D_L1000_Similarity": 0.946679, "FDA_Category_D_Structural_Similarity": -0.0879294, "FDA_Category_D_Weighted_Contribution": 0.337914, "FDA_Category_D_Top_Rank": -0.0687462, "FDA_Category_X_L1000_Similarity": 1.38804, "FDA_Category_X_Structural_Similarity": -0.231257, "FDA_Category_X_Weighted_Contribution": 0.342964, "FDA_Category_X_Top_Rank": -0.0540456, "FDA_Category_D_and_X_L1000_Similarity": 1.23758, "FDA_Category_D_and_X_Structural_Similarity": -0.194576, "FDA_Category_D_and_X_Weighted_Contribution": 0.339438, "FDA_Category_D_and_X_Top_Rank": -0.0522753, "Placenta_Crossing_L1000_Similarity": 1.37063, "Placenta_Crossing_Structural_Similarity": 0.0763142, "Placenta_Crossing_Weighted_Contribution": 0.622203, "Placenta_Crossing_Top_Rank": -0.0509112, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N", "InChI_key": "DOUYETYNHWVLEO-UHFFFAOYSA-N" } }, "CID:60188101": { "type": "Drug", "properties": { "id": "CID:60188101", "label": "rs-i-002-6", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60188101", "FDA_Category_D_L1000_Similarity": -1.93685, "FDA_Category_X_L1000_Similarity": -1.61504, "FDA_Category_D_and_X_L1000_Similarity": -2.16005, "Placenta_Crossing_L1000_Similarity": -1.79023, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(C(=O)C=C1)S(=O)(=O)C=CC2=CC=CC=C2", "InChI_key": "JKKSALWVHJQDDV-PKNBQFBNSA-N" } }, "CID:60838": { "type": "Drug", "properties": { "id": "CID:60838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60838", "label": "irinotecan", "ref": "LSM-2167", "FDA_Category_D_L1000_Similarity": 0.331356, "FDA_Category_D_Structural_Similarity": 4.81787, "FDA_Category_D_Weighted_Contribution": 4.0062, "FDA_Category_D_Top_Rank": 1.09319, "FDA_Category_X_L1000_Similarity": -3.85754, "FDA_Category_X_Structural_Similarity": -0.459825, "FDA_Category_X_Weighted_Contribution": -1.60495, "FDA_Category_X_Top_Rank": -0.0892135, "FDA_Category_D_and_X_L1000_Similarity": -0.885828, "FDA_Category_D_and_X_Structural_Similarity": 3.57588, "FDA_Category_D_and_X_Weighted_Contribution": 2.89189, "FDA_Category_D_and_X_Top_Rank": 0.443798, "Placenta_Crossing_L1000_Similarity": -2.50153, "Placenta_Crossing_Structural_Similarity": 1.27689, "Placenta_Crossing_Weighted_Contribution": -0.127477, "Placenta_Crossing_Top_Rank": -0.0343972, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7", "InChI_key": "UWKQSNNFCGGAFS-XIFFEERXSA-N" } }, "CID:6445533": { "type": "Drug", "properties": { "id": "CID:6445533", "label": "dacinostat", "lsm": "LSM-4665", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6445533", "FDA_Category_D_L1000_Similarity": -1.51325, "FDA_Category_D_Structural_Similarity": 3.0425, "FDA_Category_D_Weighted_Contribution": 2.14123, "FDA_Category_D_Top_Rank": 0.240723, "FDA_Category_X_L1000_Similarity": -1.34261, "FDA_Category_X_Structural_Similarity": -0.167714, "FDA_Category_X_Weighted_Contribution": -0.820178, "FDA_Category_X_Top_Rank": -0.0838377, "FDA_Category_D_and_X_L1000_Similarity": -1.71217, "FDA_Category_D_and_X_Structural_Similarity": 2.32437, "FDA_Category_D_and_X_Weighted_Contribution": 1.24613, "FDA_Category_D_and_X_Top_Rank": 0.0798179, "Placenta_Crossing_L1000_Similarity": -1.62218, "Placenta_Crossing_Structural_Similarity": -0.17927, "Placenta_Crossing_Weighted_Contribution": -0.902092, "Placenta_Crossing_Top_Rank": -0.0856391, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO", "InChI_key": "BWDQBBCUWLSASG-MDZDMXLPSA-N" } }, "CID:65981": { "type": "Drug", "properties": { "id": "CID:65981", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/65981", "label": "repaglinide", "ref": "LSM-3863", "FDA_Category_D_L1000_Similarity": 1.49922, "FDA_Category_D_Structural_Similarity": -0.0517106, "FDA_Category_D_Weighted_Contribution": 0.713633, "FDA_Category_D_Top_Rank": -0.0088399, "FDA_Category_X_L1000_Similarity": 0.332951, "FDA_Category_X_Structural_Similarity": 0.289917, "FDA_Category_X_Weighted_Contribution": 0.335799, "FDA_Category_X_Top_Rank": -0.0701277, "FDA_Category_D_and_X_L1000_Similarity": 1.39346, "FDA_Category_D_and_X_Structural_Similarity": 0.115395, "FDA_Category_D_and_X_Weighted_Contribution": 0.747442, "FDA_Category_D_and_X_Top_Rank": -0.0375718, "Placenta_Crossing_L1000_Similarity": 0.203904, "Placenta_Crossing_Structural_Similarity": 1.72938, "Placenta_Crossing_Weighted_Contribution": 1.75801, "Placenta_Crossing_Top_Rank": 0.00139355, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O", "InChI_key": "FAEKWTJYAYMJKF-QHCPKHFHSA-N" } }, "CID:6890": { "type": "Drug", "properties": { "id": "CID:6890", "label": "gramine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6890", "FDA_Category_D_L1000_Similarity": 0.681876, "FDA_Category_D_Structural_Similarity": -0.113584, "FDA_Category_D_Weighted_Contribution": 0.157491, "FDA_Category_D_Top_Rank": -0.0802445, "FDA_Category_X_L1000_Similarity": 0.55983, "FDA_Category_X_Structural_Similarity": -0.0856972, "FDA_Category_X_Weighted_Contribution": 0.0669707, "FDA_Category_X_Top_Rank": -0.0816531, "FDA_Category_D_and_X_L1000_Similarity": 0.7578, "FDA_Category_D_and_X_Structural_Similarity": -0.136395, "FDA_Category_D_and_X_Weighted_Contribution": 0.133428, "FDA_Category_D_and_X_Top_Rank": -0.079287, "Placenta_Crossing_L1000_Similarity": 0.769491, "Placenta_Crossing_Structural_Similarity": 0.0175156, "Placenta_Crossing_Weighted_Contribution": 0.251175, "Placenta_Crossing_Top_Rank": -0.0771911, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:71203": { "type": "Drug", "properties": { "id": "CID:71203", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71203", "label": "vinburnine", "FDA_Category_D_L1000_Similarity": 1.34279, "FDA_Category_D_Structural_Similarity": -0.150727, "FDA_Category_D_Weighted_Contribution": 0.512179, "FDA_Category_D_Top_Rank": -0.0327595, "FDA_Category_X_L1000_Similarity": 1.09319, "FDA_Category_X_Structural_Similarity": 0.702005, "FDA_Category_X_Weighted_Contribution": 1.2146, "FDA_Category_X_Top_Rank": -0.0540812, "FDA_Category_D_and_X_L1000_Similarity": 1.48949, "FDA_Category_D_and_X_Structural_Similarity": 0.259165, "FDA_Category_D_and_X_Weighted_Contribution": 0.956768, "FDA_Category_D_and_X_Top_Rank": -0.025029, "Placenta_Crossing_L1000_Similarity": 0.173093, "Placenta_Crossing_Structural_Similarity": -0.385182, "Placenta_Crossing_Weighted_Contribution": -0.390566, "Placenta_Crossing_Top_Rank": -0.0868613, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2", "InChI_key": "WYJAPUKIYAZSEM-MOPGFXCFSA-N" } }, "CID:72947410": { "type": "Drug", "properties": { "id": "CID:72947410", "label": "md-ii-051", "lsm": "LSM-6681", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72947410", "FDA_Category_D_L1000_Similarity": -1.80858, "FDA_Category_X_L1000_Similarity": -2.09605, "FDA_Category_D_and_X_L1000_Similarity": -2.19555, "Placenta_Crossing_L1000_Similarity": -1.7409, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3CC3", "InChI_key": "QJMFPDBBSFMUCX-PKNBQFBNSA-N" } }, "CID:73265271": { "type": "Drug", "properties": { "id": "CID:73265271", "label": "LY-2886721", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73265271", "FDA_Category_D_L1000_Similarity": 0.824157, "FDA_Category_D_Structural_Similarity": 0.710641, "FDA_Category_D_Weighted_Contribution": 1.11143, "FDA_Category_D_Top_Rank": -0.063881, "FDA_Category_X_L1000_Similarity": 0.915513, "FDA_Category_X_Structural_Similarity": -0.619093, "FDA_Category_X_Weighted_Contribution": -0.271384, "FDA_Category_X_Top_Rank": -0.07394, "FDA_Category_D_and_X_L1000_Similarity": 0.988459, "FDA_Category_D_and_X_Structural_Similarity": 0.229985, "FDA_Category_D_and_X_Weighted_Contribution": 0.629887, "FDA_Category_D_and_X_Top_Rank": -0.0699489, "Placenta_Crossing_L1000_Similarity": 1.07095, "Placenta_Crossing_Structural_Similarity": 1.17247, "Placenta_Crossing_Weighted_Contribution": 1.63435, "Placenta_Crossing_Top_Rank": -0.0411478, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9543540": { "type": "Drug", "properties": { "id": "CID:9543540", "label": "BML-210", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9543540", "FDA_Category_D_L1000_Similarity": -1.49824, "FDA_Category_D_Structural_Similarity": -0.636299, "FDA_Category_D_Weighted_Contribution": -1.18886, "FDA_Category_D_Top_Rank": -0.0953632, "FDA_Category_X_L1000_Similarity": -0.747181, "FDA_Category_X_Structural_Similarity": -0.654716, "FDA_Category_X_Weighted_Contribution": -0.949309, "FDA_Category_X_Top_Rank": -0.0907568, "FDA_Category_D_and_X_L1000_Similarity": -1.51842, "FDA_Category_D_and_X_Structural_Similarity": -0.858321, "FDA_Category_D_and_X_Weighted_Contribution": -1.27197, "FDA_Category_D_and_X_Top_Rank": -0.0962246, "Placenta_Crossing_L1000_Similarity": -2.06538, "Placenta_Crossing_Structural_Similarity": -0.570889, "Placenta_Crossing_Weighted_Contribution": -1.24035, "Placenta_Crossing_Top_Rank": -0.0903266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9874838": { "type": "Drug", "properties": { "id": "CID:9874838", "label": "t-98475", "lsm": "LSM-3382", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9874838", "FDA_Category_D_L1000_Similarity": -2.24209, "FDA_Category_D_Structural_Similarity": 0.688031, "FDA_Category_D_Weighted_Contribution": -0.633565, "FDA_Category_D_Top_Rank": -0.0645663, "FDA_Category_X_L1000_Similarity": 2.2143, "FDA_Category_X_Structural_Similarity": 0.260512, "FDA_Category_X_Weighted_Contribution": 1.35102, "FDA_Category_X_Top_Rank": 0.0546919, "FDA_Category_D_and_X_L1000_Similarity": -1.26028, "FDA_Category_D_and_X_Structural_Similarity": 0.68667, "FDA_Category_D_and_X_Weighted_Contribution": -0.150886, "FDA_Category_D_and_X_Top_Rank": -0.0676652, "Placenta_Crossing_L1000_Similarity": -2.52559, "Placenta_Crossing_Structural_Similarity": -0.187808, "Placenta_Crossing_Weighted_Contribution": -1.16706, "Placenta_Crossing_Top_Rank": -0.0857686, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=O)OC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5", "InChI_key": "RANJJVIMTOIWIN-UHFFFAOYSA-N" } }, "CID:9926791": { "type": "Drug", "properties": { "id": "CID:9926791", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9926791", "label": "tofacitinib", "FDA_Category_D_L1000_Similarity": 0.917001, "FDA_Category_D_Structural_Similarity": -0.213248, "FDA_Category_D_Weighted_Contribution": 0.194908, "FDA_Category_D_Top_Rank": -0.0705785, "FDA_Category_X_L1000_Similarity": 1.07564, "FDA_Category_X_Structural_Similarity": 1.84447, "FDA_Category_X_Weighted_Contribution": 2.46026, "FDA_Category_X_Top_Rank": 0.0206205, "FDA_Category_D_and_X_L1000_Similarity": 1.11712, "FDA_Category_D_and_X_Structural_Similarity": 0.826009, "FDA_Category_D_and_X_Weighted_Contribution": 1.33993, "FDA_Category_D_and_X_Top_Rank": -0.0612843, "Placenta_Crossing_L1000_Similarity": 1.62253, "Placenta_Crossing_Structural_Similarity": 0.502367, "Placenta_Crossing_Weighted_Contribution": 1.21484, "Placenta_Crossing_Top_Rank": -0.0261291, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N", "InChI_key": "UJLAWZDWDVHWOW-YPMHNXCESA-N" } }, "CID:10127622": { "type": "Drug", "properties": { "id": "CID:10127622", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10127622", "label": "selumetinib", "FDA_Category_D_L1000_Similarity": -0.283114, "FDA_Category_D_Structural_Similarity": -0.0927278, "FDA_Category_D_Weighted_Contribution": -0.341304, "FDA_Category_D_Top_Rank": -0.0873667, "FDA_Category_X_L1000_Similarity": -1.00008, "FDA_Category_X_Structural_Similarity": -0.38125, "FDA_Category_X_Weighted_Contribution": -0.849848, "FDA_Category_X_Top_Rank": -0.0879024, "FDA_Category_D_and_X_L1000_Similarity": -0.547748, "FDA_Category_D_and_X_Structural_Similarity": -0.27932, "FDA_Category_D_and_X_Weighted_Contribution": -0.611673, "FDA_Category_D_and_X_Top_Rank": -0.0914211, "Placenta_Crossing_L1000_Similarity": -0.858764, "Placenta_Crossing_Structural_Similarity": 0.117079, "Placenta_Crossing_Weighted_Contribution": -0.407942, "Placenta_Crossing_Top_Rank": -0.0796189, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO", "InChI_key": "CYOHGALHFOKKQC-UHFFFAOYSA-N" } }, "CID:1088": { "type": "Drug", "properties": { "id": "CID:1088", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1088", "label": "sarcosine", "FDA_Category_D_L1000_Similarity": 0.184402, "FDA_Category_D_Structural_Similarity": -0.945864, "FDA_Category_D_Weighted_Contribution": -0.786284, "FDA_Category_D_Top_Rank": -0.0903906, "FDA_Category_X_L1000_Similarity": 0.698091, "FDA_Category_X_Structural_Similarity": -0.760983, "FDA_Category_X_Weighted_Contribution": -0.489564, "FDA_Category_X_Top_Rank": -0.0791707, "FDA_Category_D_and_X_L1000_Similarity": 0.370948, "FDA_Category_D_and_X_Structural_Similarity": -1.16137, "FDA_Category_D_and_X_Weighted_Contribution": -0.863921, "FDA_Category_D_and_X_Top_Rank": -0.0878891, "Placenta_Crossing_L1000_Similarity": 1.42657, "Placenta_Crossing_Structural_Similarity": -1.03789, "Placenta_Crossing_Weighted_Contribution": -0.404351, "Placenta_Crossing_Top_Rank": -0.0462609, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNCC(=O)O", "InChI_key": "FSYKKLYZXJSNPZ-UHFFFAOYSA-N" } }, "CID:11548630": { "type": "Drug", "properties": { "id": "CID:11548630", "label": "ro-4987655", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11548630", "FDA_Category_D_L1000_Similarity": -2.61872, "FDA_Category_D_Structural_Similarity": -0.529555, "FDA_Category_D_Weighted_Contribution": -1.43255, "FDA_Category_D_Top_Rank": -0.0944297, "FDA_Category_X_L1000_Similarity": -2.21429, "FDA_Category_X_Structural_Similarity": -0.175589, "FDA_Category_X_Weighted_Contribution": -1.10748, "FDA_Category_X_Top_Rank": -0.0840409, "FDA_Category_D_and_X_L1000_Similarity": -2.92983, "FDA_Category_D_and_X_Structural_Similarity": -0.515062, "FDA_Category_D_and_X_Weighted_Contribution": -1.45082, "FDA_Category_D_and_X_Top_Rank": -0.094123, "Placenta_Crossing_L1000_Similarity": -3.95797, "Placenta_Crossing_Structural_Similarity": -0.390797, "Placenta_Crossing_Weighted_Contribution": -1.54294, "Placenta_Crossing_Top_Rank": -0.0886099, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO", "InChI_key": "FIMYFEGKMOCQKT-UHFFFAOYSA-N" } }, "CID:11654378": { "type": "Drug", "properties": { "id": "CID:11654378", "label": "KIN001-269", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11654378", "FDA_Category_D_L1000_Similarity": 1.59752, "FDA_Category_D_Structural_Similarity": 0.600328, "FDA_Category_D_Weighted_Contribution": 1.48594, "FDA_Category_D_Top_Rank": 0.0135831, "FDA_Category_X_L1000_Similarity": 1.78286, "FDA_Category_X_Structural_Similarity": -0.123673, "FDA_Category_X_Weighted_Contribution": 0.672846, "FDA_Category_X_Top_Rank": -0.021849, "FDA_Category_D_and_X_L1000_Similarity": 1.91852, "FDA_Category_D_and_X_Structural_Similarity": 0.409755, "FDA_Category_D_and_X_Weighted_Contribution": 1.37517, "FDA_Category_D_and_X_Top_Rank": 0.0633869, "Placenta_Crossing_L1000_Similarity": 0.916852, "Placenta_Crossing_Structural_Similarity": 0.196814, "Placenta_Crossing_Weighted_Contribution": 0.508142, "Placenta_Crossing_Top_Rank": -0.0731878, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:128878": { "type": "Drug", "properties": { "id": "CID:128878", "label": "2-iminobiotin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/128878", "FDA_Category_D_L1000_Similarity": -0.385177, "FDA_Category_D_Structural_Similarity": 0.552745, "FDA_Category_D_Weighted_Contribution": 0.198326, "FDA_Category_D_Top_Rank": -0.0692533, "FDA_Category_X_L1000_Similarity": 1.22359, "FDA_Category_X_Structural_Similarity": -0.638232, "FDA_Category_X_Weighted_Contribution": -0.146688, "FDA_Category_X_Top_Rank": -0.0632005, "FDA_Category_D_and_X_L1000_Similarity": 0.0395537, "FDA_Category_D_and_X_Structural_Similarity": 0.0943335, "FDA_Category_D_and_X_Weighted_Contribution": -0.0278232, "FDA_Category_D_and_X_Top_Rank": -0.0841741, "Placenta_Crossing_L1000_Similarity": 1.47428, "Placenta_Crossing_Structural_Similarity": -0.753477, "Placenta_Crossing_Weighted_Contribution": -0.139529, "Placenta_Crossing_Top_Rank": -0.0425036, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2C(C(S1)CCCCC(=O)O)N=C(N2)N", "InChI_key": "WWVANQJRLPIHNS-ZKWXMUAHSA-N" } }, "CID:135440466": { "type": "Drug", "properties": { "id": "CID:135440466", "label": "bms-536924", "lsm": "LSM-1210", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135440466", "FDA_Category_D_L1000_Similarity": -2.03465, "FDA_Category_D_Structural_Similarity": -0.600695, "FDA_Category_D_Weighted_Contribution": -1.32095, "FDA_Category_D_Top_Rank": -0.095054, "FDA_Category_X_L1000_Similarity": 0.309169, "FDA_Category_X_Structural_Similarity": -0.655831, "FDA_Category_X_Weighted_Contribution": -0.563093, "FDA_Category_X_Top_Rank": -0.0848397, "FDA_Category_D_and_X_L1000_Similarity": -1.66, "FDA_Category_D_and_X_Structural_Similarity": -0.830664, "FDA_Category_D_and_X_Weighted_Contribution": -1.29481, "FDA_Category_D_and_X_Top_Rank": -0.0961018, "Placenta_Crossing_L1000_Similarity": -0.930163, "Placenta_Crossing_Structural_Similarity": -0.715955, "Placenta_Crossing_Weighted_Contribution": -1.01424, "Placenta_Crossing_Top_Rank": -0.091332, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "FDBVBFZVZLTNFJ-KKPVDXMRSA-N" } }, "CID:1392066": { "type": "Drug", "properties": { "id": "CID:1392066", "label": "MW-STK33-100", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1392066", "FDA_Category_D_L1000_Similarity": 0.508204, "FDA_Category_D_Structural_Similarity": -0.689514, "FDA_Category_D_Weighted_Contribution": -0.451993, "FDA_Category_D_Top_Rank": -0.0851078, "FDA_Category_X_L1000_Similarity": -0.732286, "FDA_Category_X_Structural_Similarity": -0.603484, "FDA_Category_X_Weighted_Contribution": -0.910321, "FDA_Category_X_Top_Rank": -0.0907211, "FDA_Category_D_and_X_L1000_Similarity": 0.215697, "FDA_Category_D_and_X_Structural_Similarity": -0.872914, "FDA_Category_D_and_X_Weighted_Contribution": -0.730055, "FDA_Category_D_and_X_Top_Rank": -0.0900112, "Placenta_Crossing_L1000_Similarity": 0.335067, "Placenta_Crossing_Structural_Similarity": -0.928533, "Placenta_Crossing_Weighted_Contribution": -0.740724, "Placenta_Crossing_Top_Rank": -0.0852752, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16739244": { "type": "Drug", "properties": { "id": "CID:16739244", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16739244", "label": "lersivirine", "FDA_Category_D_L1000_Similarity": 0.852814, "FDA_Category_D_Structural_Similarity": -0.661756, "FDA_Category_D_Weighted_Contribution": -0.258563, "FDA_Category_D_Top_Rank": -0.0736987, "FDA_Category_X_L1000_Similarity": 0.048686, "FDA_Category_X_Structural_Similarity": -0.650602, "FDA_Category_X_Weighted_Contribution": -0.662026, "FDA_Category_X_Top_Rank": -0.0872471, "FDA_Category_D_and_X_L1000_Similarity": 0.749929, "FDA_Category_D_and_X_Structural_Similarity": -0.876307, "FDA_Category_D_and_X_Weighted_Contribution": -0.513158, "FDA_Category_D_and_X_Top_Rank": -0.0795687, "Placenta_Crossing_L1000_Similarity": 1.39427, "Placenta_Crossing_Structural_Similarity": 0.729144, "Placenta_Crossing_Weighted_Contribution": 1.33478, "Placenta_Crossing_Top_Rank": -0.0489662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N", "InChI_key": "MCPUZZJBAHRIPO-UHFFFAOYSA-N" } }, "CID:176870": { "type": "Drug", "properties": { "id": "CID:176870", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/176870", "label": "erlotinib", "ref": "LSM-1097", "FDA_Category_D_L1000_Similarity": 0.0408079, "FDA_Category_D_Structural_Similarity": 1.14582, "FDA_Category_D_Weighted_Contribution": 1.08569, "FDA_Category_D_Top_Rank": -0.043065, "FDA_Category_X_L1000_Similarity": -0.903614, "FDA_Category_X_Structural_Similarity": 1.36729, "FDA_Category_X_Weighted_Contribution": 0.836105, "FDA_Category_X_Top_Rank": -0.0169569, "FDA_Category_D_and_X_L1000_Similarity": -0.239229, "FDA_Category_D_and_X_Structural_Similarity": 1.64724, "FDA_Category_D_and_X_Weighted_Contribution": 1.40497, "FDA_Category_D_and_X_Top_Rank": -0.00141769, "Placenta_Crossing_L1000_Similarity": 0.485206, "Placenta_Crossing_Structural_Similarity": -0.401633, "Placenta_Crossing_Weighted_Contribution": -0.271249, "Placenta_Crossing_Top_Rank": -0.0832305, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC", "InChI_key": "AAKJLRGGTJKAMG-UHFFFAOYSA-N" } }, "CID:178024": { "type": "Drug", "properties": { "id": "CID:178024", "label": "ibutamoren", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/178024", "FDA_Category_D_L1000_Similarity": 0.0726055, "FDA_Category_D_Structural_Similarity": 1.37506, "FDA_Category_D_Weighted_Contribution": 1.35695, "FDA_Category_D_Top_Rank": -0.0293223, "FDA_Category_X_L1000_Similarity": -0.524776, "FDA_Category_X_Structural_Similarity": 0.388265, "FDA_Category_X_Weighted_Contribution": -0.00100349, "FDA_Category_X_Top_Rank": -0.066344, "FDA_Category_D_and_X_L1000_Similarity": -0.0967798, "FDA_Category_D_and_X_Structural_Similarity": 1.30091, "FDA_Category_D_and_X_Weighted_Contribution": 1.1198, "FDA_Category_D_and_X_Top_Rank": -0.0317159, "Placenta_Crossing_L1000_Similarity": 1.17635, "Placenta_Crossing_Structural_Similarity": 1.32858, "Placenta_Crossing_Weighted_Contribution": 1.85463, "Placenta_Crossing_Top_Rank": -0.0310618, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:197810": { "type": "Drug", "properties": { "id": "CID:197810", "label": "chelidonine", "lsm": "LSM-2715", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/197810", "FDA_Category_D_L1000_Similarity": 0.881854, "FDA_Category_D_Structural_Similarity": -0.791128, "FDA_Category_D_Weighted_Contribution": -0.355014, "FDA_Category_D_Top_Rank": -0.0723909, "FDA_Category_X_L1000_Similarity": 1.37575, "FDA_Category_X_Structural_Similarity": 0.817803, "FDA_Category_X_Weighted_Contribution": 1.5079, "FDA_Category_X_Top_Rank": -0.0492713, "FDA_Category_D_and_X_L1000_Similarity": 1.17797, "FDA_Category_D_and_X_Structural_Similarity": -0.186646, "FDA_Category_D_and_X_Weighted_Contribution": 0.314083, "FDA_Category_D_and_X_Top_Rank": -0.0564373, "Placenta_Crossing_L1000_Similarity": 1.44362, "Placenta_Crossing_Structural_Similarity": -0.781456, "Placenta_Crossing_Weighted_Contribution": -0.178358, "Placenta_Crossing_Top_Rank": -0.0449259, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6", "InChI_key": "GHKISGDRQRSCII-ZOCIIQOWSA-N" } }, "CID:2146": { "type": "Drug", "properties": { "id": "CID:2146", "label": "pimagedine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2146", "FDA_Category_D_L1000_Similarity": 0.258067, "FDA_Category_D_Structural_Similarity": 1.28928, "FDA_Category_D_Weighted_Contribution": 1.38189, "FDA_Category_D_Top_Rank": -0.0351746, "FDA_Category_X_L1000_Similarity": 1.93129, "FDA_Category_X_Structural_Similarity": -0.681241, "FDA_Category_X_Weighted_Contribution": 0.158351, "FDA_Category_X_Top_Rank": -0.000141965, "FDA_Category_D_and_X_L1000_Similarity": 0.808949, "FDA_Category_D_and_X_Structural_Similarity": 0.655723, "FDA_Category_D_and_X_Weighted_Contribution": 0.972832, "FDA_Category_D_and_X_Top_Rank": -0.0688655, "Placenta_Crossing_L1000_Similarity": 1.05486, "Placenta_Crossing_Structural_Similarity": -0.475514, "Placenta_Crossing_Weighted_Contribution": -0.0805142, "Placenta_Crossing_Top_Rank": -0.0683273, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(=NN)(N)N", "InChI_key": "HAMNKKUPIHEESI-UHFFFAOYSA-N" } }, "CID:2275": { "type": "Drug", "properties": { "id": "CID:2275", "label": "sodium-gualenate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2275", "FDA_Category_D_L1000_Similarity": -0.764098, "FDA_Category_D_Structural_Similarity": 0.53332, "FDA_Category_D_Weighted_Contribution": -0.033981, "FDA_Category_D_Top_Rank": -0.0699387, "FDA_Category_X_L1000_Similarity": 1.69627, "FDA_Category_X_Structural_Similarity": 0.631079, "FDA_Category_X_Weighted_Contribution": 1.47794, "FDA_Category_X_Top_Rank": -0.0306421, "FDA_Category_D_and_X_L1000_Similarity": -0.143544, "FDA_Category_D_and_X_Structural_Similarity": 0.763831, "FDA_Category_D_and_X_Weighted_Contribution": 0.525863, "FDA_Category_D_and_X_Top_Rank": -0.0649167, "Placenta_Crossing_L1000_Similarity": 1.0432, "Placenta_Crossing_Structural_Similarity": -0.585215, "Placenta_Crossing_Weighted_Contribution": -0.184468, "Placenta_Crossing_Top_Rank": -0.0688819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24747169": { "type": "Drug", "properties": { "id": "CID:24747169", "label": "psh-024", "lsm": "LSM-3794", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747169", "FDA_Category_D_L1000_Similarity": -0.268704, "FDA_Category_X_L1000_Similarity": -2.17746, "FDA_Category_D_and_X_L1000_Similarity": -0.89288, "Placenta_Crossing_L1000_Similarity": -1.57021, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC(=CC=C4)OC)C5=CC=CC=C5N2)C", "InChI_key": "GZMDFKPAEJIEIJ-LJQANCHMSA-N" } }, "CID:25181195": { "type": "Drug", "properties": { "id": "CID:25181195", "label": "pi-828", "lsm": "LSM-4198", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25181195", "FDA_Category_D_L1000_Similarity": -3.52688, "FDA_Category_D_Structural_Similarity": -0.339173, "FDA_Category_D_Weighted_Contribution": -1.55196, "FDA_Category_D_Top_Rank": -0.0920545, "FDA_Category_X_L1000_Similarity": -2.15363, "FDA_Category_X_Structural_Similarity": -0.601531, "FDA_Category_X_Weighted_Contribution": -1.31835, "FDA_Category_X_Top_Rank": -0.0910945, "FDA_Category_D_and_X_L1000_Similarity": -3.69425, "FDA_Category_D_and_X_Structural_Similarity": -0.593789, "FDA_Category_D_and_X_Weighted_Contribution": -1.60713, "FDA_Category_D_and_X_Top_Rank": -0.0947576, "Placenta_Crossing_L1000_Similarity": -3.27693, "Placenta_Crossing_Structural_Similarity": -0.580455, "Placenta_Crossing_Weighted_Contribution": -1.49218, "Placenta_Crossing_Top_Rank": -0.0903969, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N", "InChI_key": "WUKMIBOGGXMBAC-UHFFFAOYSA-N" } }, "CID:25195348": { "type": "Drug", "properties": { "id": "CID:25195348", "label": "ver-155008", "lsm": "LSM-6239", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25195348", "FDA_Category_D_L1000_Similarity": 1.53985, "FDA_Category_D_Structural_Similarity": 2.40533, "FDA_Category_D_Weighted_Contribution": 3.14829, "FDA_Category_D_Top_Rank": 0.116882, "FDA_Category_X_L1000_Similarity": 1.32464, "FDA_Category_X_Structural_Similarity": -0.0116984, "FDA_Category_X_Weighted_Contribution": 0.544237, "FDA_Category_X_Top_Rank": -0.0579967, "FDA_Category_D_and_X_L1000_Similarity": 1.72964, "FDA_Category_D_and_X_Structural_Similarity": 1.90283, "FDA_Category_D_and_X_Weighted_Contribution": 2.72625, "FDA_Category_D_and_X_Top_Rank": 0.0245532, "Placenta_Crossing_L1000_Similarity": 1.10446, "Placenta_Crossing_Structural_Similarity": 0.745744, "Placenta_Crossing_Weighted_Contribution": 1.19381, "Placenta_Crossing_Top_Rank": -0.0614658, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N", "InChI_key": "ZXGGCBQORXDVTE-UMCMBGNQSA-N" } }, "CID:27873": { "type": "Drug", "properties": { "id": "CID:27873", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID27873", "label": "erythrosine", "FDA_Category_D_L1000_Similarity": -1.82094, "FDA_Category_D_Structural_Similarity": -0.348342, "FDA_Category_D_Weighted_Contribution": -1.13737, "FDA_Category_D_Top_Rank": -0.0921854, "FDA_Category_X_L1000_Similarity": 0.93658, "FDA_Category_X_Structural_Similarity": -0.415457, "FDA_Category_X_Weighted_Contribution": -0.0713523, "FDA_Category_X_Top_Rank": -0.0734067, "FDA_Category_D_and_X_L1000_Similarity": -1.28525, "FDA_Category_D_and_X_Structural_Similarity": -0.500663, "FDA_Category_D_and_X_Weighted_Contribution": -1.02498, "FDA_Category_D_and_X_Top_Rank": -0.094015, "Placenta_Crossing_L1000_Similarity": -0.0930104, "Placenta_Crossing_Structural_Similarity": -0.413235, "Placenta_Crossing_Weighted_Contribution": -0.521029, "Placenta_Crossing_Top_Rank": -0.0888381, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)O)I)I)I)C(=O)O", "InChI_key": "LAINPTZBIXYTIZ-UHFFFAOYSA-N" } }, "CID:379077": { "type": "Drug", "properties": { "id": "CID:379077", "label": "nsc-663284", "lsm": "LSM-2042", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/379077", "FDA_Category_D_L1000_Similarity": -1.64993, "FDA_Category_D_Structural_Similarity": 0.00640252, "FDA_Category_D_Weighted_Contribution": -0.867997, "FDA_Category_D_Top_Rank": -0.0850226, "FDA_Category_X_L1000_Similarity": -2.49529, "FDA_Category_X_Structural_Similarity": 2.037, "FDA_Category_X_Weighted_Contribution": 0.694819, "FDA_Category_X_Top_Rank": 0.0435319, "FDA_Category_D_and_X_L1000_Similarity": -2.18004, "FDA_Category_D_and_X_Structural_Similarity": 1.10424, "FDA_Category_D_and_X_Weighted_Contribution": -0.236587, "FDA_Category_D_and_X_Top_Rank": -0.0458535, "Placenta_Crossing_L1000_Similarity": -2.60874, "Placenta_Crossing_Structural_Similarity": -0.46316, "Placenta_Crossing_Weighted_Contribution": -1.31635, "Placenta_Crossing_Top_Rank": -0.0893537, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl", "InChI_key": "BMKPVDQDJQWBPD-UHFFFAOYSA-N" } }, "CID:39147": { "type": "Drug", "properties": { "id": "CID:39147", "label": "nadolol", "lsm": "LSM-1879", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/39147", "IDG_ID": "1865", "FDA_Category_D_L1000_Similarity": 1.24575, "FDA_Category_D_Structural_Similarity": -0.508811, "FDA_Category_D_Weighted_Contribution": 0.0942009, "FDA_Category_D_Top_Rank": -0.0443561, "FDA_Category_X_L1000_Similarity": -0.339819, "FDA_Category_X_Structural_Similarity": -0.00138421, "FDA_Category_X_Weighted_Contribution": -0.280844, "FDA_Category_X_Top_Rank": -0.0798126, "FDA_Category_D_and_X_L1000_Similarity": 0.970656, "FDA_Category_D_and_X_Structural_Similarity": -0.404597, "FDA_Category_D_and_X_Weighted_Contribution": -0.00661461, "FDA_Category_D_and_X_Top_Rank": -0.0707129, "Placenta_Crossing_L1000_Similarity": 1.78715, "Placenta_Crossing_Structural_Similarity": -0.151142, "Placenta_Crossing_Weighted_Contribution": 0.605307, "Placenta_Crossing_Top_Rank": -0.00265866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O", "InChI_key": "VWPOSFSPZNDTMJ-UCWKZMIHSA-N" } }, "CID:3921152": { "type": "Drug", "properties": { "id": "CID:3921152", "label": "sa-792574", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3921152", "FDA_Category_D_L1000_Similarity": 0.010025, "FDA_Category_D_Structural_Similarity": -0.568391, "FDA_Category_D_Weighted_Contribution": -0.586429, "FDA_Category_D_Top_Rank": -0.0921034, "FDA_Category_X_L1000_Similarity": -0.285865, "FDA_Category_X_Structural_Similarity": 0.350869, "FDA_Category_X_Weighted_Contribution": 0.0803208, "FDA_Category_X_Top_Rank": -0.0676864, "FDA_Category_D_and_X_L1000_Similarity": -0.0781706, "FDA_Category_D_and_X_Structural_Similarity": -0.261812, "FDA_Category_D_and_X_Weighted_Contribution": -0.393948, "FDA_Category_D_and_X_Top_Rank": -0.0911577, "Placenta_Crossing_L1000_Similarity": -0.19349, "Placenta_Crossing_Structural_Similarity": -0.422544, "Placenta_Crossing_Weighted_Contribution": -0.567429, "Placenta_Crossing_Top_Rank": -0.0889368, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3", "InChI_key": "ICMIJSRDISNKOC-UHFFFAOYSA-N" } }, "CID:4034": { "type": "Drug", "properties": { "id": "CID:4034", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4034", "label": "meclizine", "FDA_Category_D_L1000_Similarity": 1.37442, "FDA_Category_D_Structural_Similarity": -0.540688, "FDA_Category_D_Weighted_Contribution": 0.136408, "FDA_Category_D_Top_Rank": -0.0284585, "FDA_Category_X_L1000_Similarity": 1.02787, "FDA_Category_X_Structural_Similarity": -0.642977, "FDA_Category_X_Weighted_Contribution": -0.241965, "FDA_Category_X_Top_Rank": -0.0706468, "FDA_Category_D_and_X_L1000_Similarity": 1.49692, "FDA_Category_D_and_X_Structural_Similarity": -0.776099, "FDA_Category_D_and_X_Weighted_Contribution": -0.0766326, "FDA_Category_D_and_X_Top_Rank": -0.0238454, "Placenta_Crossing_L1000_Similarity": 1.78676, "Placenta_Crossing_Structural_Similarity": -0.67921, "Placenta_Crossing_Weighted_Contribution": 0.0758167, "Placenta_Crossing_Top_Rank": -0.00282739, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl", "InChI_key": "OCJYIGYOJCODJL-UHFFFAOYSA-N" } }, "CID:4122": { "type": "Drug", "properties": { "id": "CID:4122", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4122", "label": "nocodazole", "FDA_Category_D_L1000_Similarity": 0.0344567, "FDA_Category_D_Structural_Similarity": -0.350397, "FDA_Category_D_Weighted_Contribution": -0.4014, "FDA_Category_D_Top_Rank": -0.0918743, "FDA_Category_X_L1000_Similarity": -0.188224, "FDA_Category_X_Structural_Similarity": -0.277753, "FDA_Category_X_Weighted_Contribution": -0.456187, "FDA_Category_X_Top_Rank": -0.0860822, "FDA_Category_D_and_X_L1000_Similarity": -0.0274633, "FDA_Category_D_and_X_Structural_Similarity": -0.427989, "FDA_Category_D_and_X_Weighted_Contribution": -0.503445, "FDA_Category_D_and_X_Top_Rank": -0.0924297, "Placenta_Crossing_L1000_Similarity": -0.317295, "Placenta_Crossing_Structural_Similarity": -0.681507, "Placenta_Crossing_Weighted_Contribution": -0.798139, "Placenta_Crossing_Top_Rank": -0.0901218, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3", "InChI_key": "KYRVNWMVYQXFEU-UHFFFAOYSA-N" } }, "CID:42890": { "type": "Drug", "properties": { "id": "CID:42890", "label": "idarubicin", "lsm": "LSM-5769", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42890", "FDA_Category_D_L1000_Similarity": 1.46619, "FDA_Category_X_L1000_Similarity": -3.26146, "FDA_Category_D_and_X_L1000_Similarity": 0.273438, "Placenta_Crossing_L1000_Similarity": -1.96316, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O", "InChI_key": "XDXDZDZNSLXDNA-TZNDIEGXSA-N" } }, "CID:442894": { "type": "Drug", "properties": { "id": "CID:442894", "label": "desoxypeganine", "lsm": "LSM-2290", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442894", "FDA_Category_D_L1000_Similarity": 0.668613, "FDA_Category_D_Structural_Similarity": -0.395533, "FDA_Category_D_Weighted_Contribution": -0.117069, "FDA_Category_D_Top_Rank": -0.0806302, "FDA_Category_X_L1000_Similarity": 1.43739, "FDA_Category_X_Structural_Similarity": -0.742282, "FDA_Category_X_Weighted_Contribution": -0.143922, "FDA_Category_X_Top_Rank": -0.0510824, "FDA_Category_D_and_X_L1000_Similarity": 1.01286, "FDA_Category_D_and_X_Structural_Similarity": -0.714472, "FDA_Category_D_and_X_Weighted_Contribution": -0.261375, "FDA_Category_D_and_X_Top_Rank": -0.0683492, "Placenta_Crossing_L1000_Similarity": 1.21222, "Placenta_Crossing_Structural_Similarity": -0.710367, "Placenta_Crossing_Weighted_Contribution": -0.219141, "Placenta_Crossing_Top_Rank": -0.0611366, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=NC3=CC=CC=C3CN2C1", "InChI_key": "WUFQLZTXIWKION-UHFFFAOYSA-N" } }, "CID:44488857": { "type": "Drug", "properties": { "id": "CID:44488857", "label": "SA-84905", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44488857", "FDA_Category_D_L1000_Similarity": 0.932097, "FDA_Category_X_L1000_Similarity": -0.130975, "FDA_Category_D_and_X_L1000_Similarity": 0.763702, "Placenta_Crossing_L1000_Similarity": 0.614993, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44502203": { "type": "Drug", "properties": { "id": "CID:44502203", "label": "SA-101686", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44502203", "FDA_Category_D_L1000_Similarity": 0.829529, "FDA_Category_X_L1000_Similarity": 1.07038, "FDA_Category_D_and_X_L1000_Similarity": 1.04011, "Placenta_Crossing_L1000_Similarity": 0.589448, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44505892": { "type": "Drug", "properties": { "id": "CID:44505892", "label": "SA-419090", "lsm": "LSM-15083", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44505892", "FDA_Category_D_L1000_Similarity": 2.10127, "FDA_Category_X_L1000_Similarity": 1.67033, "FDA_Category_D_and_X_L1000_Similarity": 2.31858, "Placenta_Crossing_L1000_Similarity": 2.11596, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:45375953": { "type": "Drug", "properties": { "id": "CID:45375953", "label": "sapanisertib", "lsm": "LSM-1206", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/45375953", "FDA_Category_D_L1000_Similarity": -2.57469, "FDA_Category_D_Structural_Similarity": 0.290954, "FDA_Category_D_Weighted_Contribution": -1.02693, "FDA_Category_D_Top_Rank": -0.0774272, "FDA_Category_X_L1000_Similarity": -2.54076, "FDA_Category_X_Structural_Similarity": -0.52201, "FDA_Category_X_Weighted_Contribution": -1.37193, "FDA_Category_X_Top_Rank": -0.0901187, "FDA_Category_D_and_X_L1000_Similarity": -2.991, "FDA_Category_D_and_X_Structural_Similarity": -0.0507403, "FDA_Category_D_and_X_Weighted_Contribution": -1.27994, "FDA_Category_D_and_X_Top_Rank": -0.0873077, "Placenta_Crossing_L1000_Similarity": -2.2109, "Placenta_Crossing_Structural_Similarity": -0.434816, "Placenta_Crossing_Weighted_Contribution": -1.21051, "Placenta_Crossing_Top_Rank": -0.0890605, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N", "InChI_key": "GYLDXIAOMVERTK-UHFFFAOYSA-N" } }, "CID:4601": { "type": "Drug", "properties": { "id": "CID:4601", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4601", "label": "orphenadrine", "ref": "LSM-1630", "FDA_Category_D_L1000_Similarity": 1.51289, "FDA_Category_D_Structural_Similarity": 1.01513, "FDA_Category_D_Weighted_Contribution": 1.87769, "FDA_Category_D_Top_Rank": -0.00563814, "FDA_Category_X_L1000_Similarity": 4.14811, "FDA_Category_X_Structural_Similarity": -0.65471, "FDA_Category_X_Weighted_Contribution": 1.41087, "FDA_Category_X_Top_Rank": 5.92336, "FDA_Category_D_and_X_L1000_Similarity": 2.56384, "FDA_Category_D_and_X_Structural_Similarity": 0.452446, "FDA_Category_D_and_X_Weighted_Contribution": 1.80119, "FDA_Category_D_and_X_Top_Rank": 0.59718, "Placenta_Crossing_L1000_Similarity": 1.65505, "Placenta_Crossing_Structural_Similarity": 1.08155, "Placenta_Crossing_Weighted_Contribution": 1.85028, "Placenta_Crossing_Top_Rank": -0.0218462, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C", "InChI_key": "QVYRGXJJSLMXQH-UHFFFAOYSA-N" } }, "CID:4614": { "type": "Drug", "properties": { "id": "CID:4614", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4614", "label": "oxaprozin", "FDA_Category_D_L1000_Similarity": 1.27581, "FDA_Category_D_Structural_Similarity": -0.785519, "FDA_Category_D_Weighted_Contribution": -0.148366, "FDA_Category_D_Top_Rank": -0.040236, "FDA_Category_X_L1000_Similarity": 1.18065, "FDA_Category_X_Structural_Similarity": -0.603135, "FDA_Category_X_Weighted_Contribution": -0.133848, "FDA_Category_X_Top_Rank": -0.0651177, "FDA_Category_D_and_X_L1000_Similarity": 1.45831, "FDA_Category_D_and_X_Structural_Similarity": -0.948926, "FDA_Category_D_and_X_Weighted_Contribution": -0.248313, "FDA_Category_D_and_X_Top_Rank": -0.028667, "Placenta_Crossing_L1000_Similarity": 2.51349, "Placenta_Crossing_Structural_Similarity": -0.919091, "Placenta_Crossing_Weighted_Contribution": 0.200149, "Placenta_Crossing_Top_Rank": 0.288443, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3", "InChI_key": "OFPXSFXSNFPTHF-UHFFFAOYSA-N" } }, "CID:46943432": { "type": "Drug", "properties": { "id": "CID:46943432", "label": "I-BET-762", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46943432", "FDA_Category_D_L1000_Similarity": -1.15858, "FDA_Category_D_Structural_Similarity": 1.44516, "FDA_Category_D_Weighted_Contribution": 0.650254, "FDA_Category_D_Top_Rank": -0.0228188, "FDA_Category_X_L1000_Similarity": -0.524699, "FDA_Category_X_Structural_Similarity": -0.0243748, "FDA_Category_X_Weighted_Contribution": -0.383232, "FDA_Category_X_Top_Rank": -0.0803779, "FDA_Category_D_and_X_L1000_Similarity": -1.15806, "FDA_Category_D_and_X_Structural_Similarity": 1.13389, "FDA_Category_D_and_X_Weighted_Contribution": 0.325049, "FDA_Category_D_and_X_Top_Rank": -0.0434805, "Placenta_Crossing_L1000_Similarity": -0.297507, "Placenta_Crossing_Structural_Similarity": 1.25879, "Placenta_Crossing_Weighted_Contribution": 0.979854, "Placenta_Crossing_Top_Rank": -0.0360156, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4832": { "type": "Drug", "properties": { "id": "CID:4832", "label": "pipenzolate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4832", "FDA_Category_D_L1000_Similarity": 0.430993, "FDA_Category_D_Structural_Similarity": -0.625768, "FDA_Category_D_Weighted_Contribution": -0.436905, "FDA_Category_D_Top_Rank": -0.0866495, "FDA_Category_X_L1000_Similarity": 0.0412429, "FDA_Category_X_Structural_Similarity": -0.670267, "FDA_Category_X_Weighted_Contribution": -0.680015, "FDA_Category_X_Top_Rank": -0.0873082, "FDA_Category_D_and_X_L1000_Similarity": 0.38405, "FDA_Category_D_and_X_Structural_Similarity": -0.858354, "FDA_Category_D_and_X_Weighted_Contribution": -0.653043, "FDA_Category_D_and_X_Top_Rank": -0.0876988, "Placenta_Crossing_L1000_Similarity": 0.462607, "Placenta_Crossing_Structural_Similarity": -0.707393, "Placenta_Crossing_Weighted_Contribution": -0.53057, "Placenta_Crossing_Top_Rank": -0.0835517, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C", "InChI_key": "WPUKUEMZZRVAKZ-UHFFFAOYSA-N" } }, "CID:51147633": { "type": "Drug", "properties": { "id": "CID:51147633", "label": "ME-0328", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51147633", "FDA_Category_D_L1000_Similarity": 1.5782, "FDA_Category_D_Structural_Similarity": -0.310061, "FDA_Category_D_Weighted_Contribution": 0.489792, "FDA_Category_D_Top_Rank": 0.00902396, "FDA_Category_X_L1000_Similarity": 1.09585, "FDA_Category_X_Structural_Similarity": -0.67623, "FDA_Category_X_Weighted_Contribution": -0.241268, "FDA_Category_X_Top_Rank": -0.0681691, "FDA_Category_D_and_X_L1000_Similarity": 1.69323, "FDA_Category_D_and_X_Structural_Similarity": -0.610991, "FDA_Category_D_and_X_Weighted_Contribution": 0.181301, "FDA_Category_D_and_X_Top_Rank": 0.00844885, "Placenta_Crossing_L1000_Similarity": 1.41478, "Placenta_Crossing_Structural_Similarity": -0.624567, "Placenta_Crossing_Weighted_Contribution": -0.0497521, "Placenta_Crossing_Top_Rank": -0.0471467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5166": { "type": "Drug", "properties": { "id": "CID:5166", "label": "sb-239063", "lsm": "LSM-1036", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5166", "FDA_Category_D_L1000_Similarity": 2.31732, "FDA_Category_D_Structural_Similarity": -0.760718, "FDA_Category_D_Weighted_Contribution": 0.471254, "FDA_Category_D_Top_Rank": 0.507758, "FDA_Category_X_L1000_Similarity": 0.197957, "FDA_Category_X_Structural_Similarity": -0.545031, "FDA_Category_X_Weighted_Contribution": -0.518042, "FDA_Category_X_Top_Rank": -0.0859745, "FDA_Category_D_and_X_L1000_Similarity": 2.05767, "FDA_Category_D_and_X_Structural_Similarity": -0.897888, "FDA_Category_D_and_X_Weighted_Contribution": 0.102138, "FDA_Category_D_and_X_Top_Rank": 0.123013, "Placenta_Crossing_L1000_Similarity": 1.98609, "Placenta_Crossing_Structural_Similarity": -0.798419, "Placenta_Crossing_Weighted_Contribution": 0.0586364, "Placenta_Crossing_Top_Rank": 0.0398059, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[C@@H]4CC[C@@H](O)CC4", "InChI_key": "ZQUSFAUAYSEREK-WKILWMFISA-N" } }, "CID:5282226": { "type": "Drug", "properties": { "id": "CID:5282226", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5282226", "label": "travoprost", "FDA_Category_D_L1000_Similarity": 1.38154, "FDA_Category_D_Structural_Similarity": -0.589736, "FDA_Category_D_Weighted_Contribution": 0.0928443, "FDA_Category_D_Top_Rank": -0.0273748, "FDA_Category_X_L1000_Similarity": -1.77453, "FDA_Category_X_Structural_Similarity": 2.86249, "FDA_Category_X_Weighted_Contribution": 2.03099, "FDA_Category_X_Top_Rank": 0.179946, "FDA_Category_D_and_X_L1000_Similarity": 0.652023, "FDA_Category_D_and_X_Structural_Similarity": 1.0765, "FDA_Category_D_and_X_Weighted_Contribution": 1.329, "FDA_Category_D_and_X_Top_Rank": -0.0480447, "Placenta_Crossing_L1000_Similarity": 0.552612, "Placenta_Crossing_Structural_Similarity": -0.503936, "Placenta_Crossing_Weighted_Contribution": -0.329185, "Placenta_Crossing_Top_Rank": -0.0820459, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O", "InChI_key": "MKPLKVHSHYCHOC-AHTXBMBWSA-N" } }, "CID:5287969": { "type": "Drug", "properties": { "id": "CID:5287969", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5287969", "label": "alvocidib", "FDA_Category_D_L1000_Similarity": 0.704332, "FDA_Category_D_Structural_Similarity": -0.488141, "FDA_Category_D_Weighted_Contribution": -0.181915, "FDA_Category_D_Top_Rank": -0.079442, "FDA_Category_X_L1000_Similarity": -1.94898, "FDA_Category_X_Structural_Similarity": 1.68794, "FDA_Category_X_Weighted_Contribution": 0.611413, "FDA_Category_X_Top_Rank": 0.00448087, "FDA_Category_D_and_X_L1000_Similarity": 0.0152787, "FDA_Category_D_and_X_Structural_Similarity": 0.523364, "FDA_Category_D_and_X_Weighted_Contribution": 0.372193, "FDA_Category_D_and_X_Top_Rank": -0.0731065, "Placenta_Crossing_L1000_Similarity": -0.146239, "Placenta_Crossing_Structural_Similarity": -0.56581, "Placenta_Crossing_Weighted_Contribution": -0.6563, "Placenta_Crossing_Top_Rank": -0.0892621, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O", "InChI_key": "BIIVYFLTOXDAOV-YVEFUNNKSA-N" } }, "CID:5324346": { "type": "Drug", "properties": { "id": "CID:5324346", "label": "fluvoxamine", "lsm": "LSM-3625", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5324346", "IDG_ID": "1230", "FDA_Category_D_L1000_Similarity": 0.488153, "FDA_Category_D_Structural_Similarity": 0.270271, "FDA_Category_D_Weighted_Contribution": 0.429725, "FDA_Category_D_Top_Rank": -0.0779899, "FDA_Category_X_L1000_Similarity": 2.72809, "FDA_Category_X_Structural_Similarity": -0.543595, "FDA_Category_X_Weighted_Contribution": 0.731651, "FDA_Category_X_Top_Rank": 0.309496, "FDA_Category_D_and_X_L1000_Similarity": 1.24927, "FDA_Category_D_and_X_Structural_Similarity": -0.0788034, "FDA_Category_D_and_X_Weighted_Contribution": 0.462657, "FDA_Category_D_and_X_Top_Rank": -0.051685, "Placenta_Crossing_L1000_Similarity": -0.0450438, "Placenta_Crossing_Structural_Similarity": 0.406125, "Placenta_Crossing_Weighted_Contribution": 0.226898, "Placenta_Crossing_Top_Rank": -0.0723309, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F", "InChI_key": "CJOFXWAVKWHTFT-XSFVSMFZSA-N" } }, "CID:5388993": { "type": "Drug", "properties": { "id": "CID:5388993", "label": "vincristine", "lsm": "LSM-1672", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5388993", "FDA_Category_D_L1000_Similarity": -0.959889, "FDA_Category_D_Structural_Similarity": 3.23047, "FDA_Category_D_Weighted_Contribution": 2.6307, "FDA_Category_D_Top_Rank": 0.282262, "FDA_Category_X_L1000_Similarity": -0.415485, "FDA_Category_X_Structural_Similarity": 0.141811, "FDA_Category_X_Weighted_Contribution": -0.184282, "FDA_Category_X_Top_Rank": -0.0756325, "FDA_Category_D_and_X_L1000_Similarity": -0.953615, "FDA_Category_D_and_X_Structural_Similarity": 2.64058, "FDA_Category_D_and_X_Weighted_Contribution": 2.02127, "FDA_Category_D_and_X_Top_Rank": 0.125715, "Placenta_Crossing_L1000_Similarity": -1.62428, "Placenta_Crossing_Structural_Similarity": 0.41928, "Placenta_Crossing_Weighted_Contribution": -0.477281, "Placenta_Crossing_Top_Rank": -0.0719639, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O", "InChI_key": "OGWKCGZFUXNPDA-CFWMRBGOSA-N" } }, "CID:54687": { "type": "Drug", "properties": { "id": "CID:54687", "label": "pravastatin", "lsm": "LSM-1760", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54687", "IDG_ID": "2239", "FDA_Category_D_L1000_Similarity": 1.66136, "FDA_Category_D_Structural_Similarity": 1.04332, "FDA_Category_D_Weighted_Contribution": 1.99784, "FDA_Category_D_Top_Rank": 0.0310358, "FDA_Category_X_L1000_Similarity": 2.14002, "FDA_Category_X_Structural_Similarity": 11.7711, "FDA_Category_X_Weighted_Contribution": 4.72475, "FDA_Category_X_Top_Rank": 10.7404, "FDA_Category_D_and_X_L1000_Similarity": 2.082, "FDA_Category_D_and_X_Structural_Similarity": 7.17972, "FDA_Category_D_and_X_Weighted_Contribution": 4.35466, "FDA_Category_D_and_X_Top_Rank": 4.68182, "Placenta_Crossing_L1000_Similarity": 2.7698, "Placenta_Crossing_Structural_Similarity": 6.64441, "Placenta_Crossing_Weighted_Contribution": 4.38528, "Placenta_Crossing_Top_Rank": 4.06688, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O", "InChI_key": "TUZYXOIXSAXUGO-PZAWKZKUSA-N" } }, "CID:5702003": { "type": "Drug", "properties": { "id": "CID:5702003", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5702003", "label": "mitomycin-c", "FDA_Category_D_L1000_Similarity": 2.17514, "FDA_Category_X_L1000_Similarity": -4.04573, "FDA_Category_D_and_X_L1000_Similarity": 0.646397, "Placenta_Crossing_L1000_Similarity": -1.56269, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N", "InChI_key": "NWIBSHFKIJFRCO-CPKMXBGFSA-N" } }, "CID:60961": { "type": "Drug", "properties": { "id": "CID:60961", "label": "adenosine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60961", "IDG_ID": "90", "FDA_Category_D_L1000_Similarity": -0.491908, "FDA_Category_D_Structural_Similarity": 3.47572, "FDA_Category_D_Weighted_Contribution": 3.06007, "FDA_Category_D_Top_Rank": 0.345491, "FDA_Category_X_L1000_Similarity": 2.30861, "FDA_Category_X_Structural_Similarity": 0.183752, "FDA_Category_X_Weighted_Contribution": 1.31727, "FDA_Category_X_Top_Rank": 0.079717, "FDA_Category_D_and_X_L1000_Similarity": 0.277049, "FDA_Category_D_and_X_Structural_Similarity": 2.85788, "FDA_Category_D_and_X_Weighted_Contribution": 2.84019, "FDA_Category_D_and_X_Top_Rank": 0.169082, "Placenta_Crossing_L1000_Similarity": 0.714204, "Placenta_Crossing_Structural_Similarity": 1.10341, "Placenta_Crossing_Weighted_Contribution": 1.36636, "Placenta_Crossing_Top_Rank": -0.0453439, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N", "InChI_key": "OIRDTQYFTABQOQ-KQYNXXCUSA-N" } }, "CID:6321411": { "type": "Drug", "properties": { "id": "CID:6321411", "label": "cefixime", "lsm": "LSM-3590", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6321411", "FDA_Category_D_L1000_Similarity": 1.92568, "FDA_Category_D_Structural_Similarity": 0.225932, "FDA_Category_D_Weighted_Contribution": 1.28693, "FDA_Category_D_Top_Rank": 0.140189, "FDA_Category_X_L1000_Similarity": 2.47954, "FDA_Category_X_Structural_Similarity": -0.430191, "FDA_Category_X_Weighted_Contribution": 0.719468, "FDA_Category_X_Top_Rank": 0.143967, "FDA_Category_D_and_X_L1000_Similarity": 2.41296, "FDA_Category_D_and_X_Structural_Similarity": -0.0528041, "FDA_Category_D_and_X_Weighted_Contribution": 1.17675, "FDA_Category_D_and_X_Top_Rank": 0.383553, "Placenta_Crossing_L1000_Similarity": 1.95452, "Placenta_Crossing_Structural_Similarity": 2.6188, "Placenta_Crossing_Weighted_Contribution": 3.29513, "Placenta_Crossing_Top_Rank": 0.109137, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O", "InChI_key": "OKBVVJOGVLARMR-VINNURBNSA-N" } }, "CID:65833": { "type": "Drug", "properties": { "id": "CID:65833", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65833", "label": "milnacipran", "FDA_Category_D_L1000_Similarity": 0.508884, "FDA_Category_D_Structural_Similarity": -0.341709, "FDA_Category_D_Weighted_Contribution": -0.153147, "FDA_Category_D_Top_Rank": -0.0850909, "FDA_Category_X_L1000_Similarity": 0.0509553, "FDA_Category_X_Structural_Similarity": -0.419127, "FDA_Category_X_Weighted_Contribution": -0.47447, "FDA_Category_X_Top_Rank": -0.0872365, "FDA_Category_D_and_X_L1000_Similarity": 0.454149, "FDA_Category_D_and_X_Structural_Similarity": -0.497378, "FDA_Category_D_and_X_Weighted_Contribution": -0.342324, "FDA_Category_D_and_X_Top_Rank": -0.0865601, "Placenta_Crossing_L1000_Similarity": 0.934851, "Placenta_Crossing_Structural_Similarity": 0.446189, "Placenta_Crossing_Weighted_Contribution": 0.779248, "Placenta_Crossing_Top_Rank": -0.0711298, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2", "InChI_key": "GJJFMKBJSRMPLA-HIFRSBDPSA-N" } }, "CID:6610350": { "type": "Drug", "properties": { "id": "CID:6610350", "label": "sb-203580", "lsm": "LSM-1168", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6610350", "FDA_Category_D_L1000_Similarity": 1.73163, "FDA_Category_D_Structural_Similarity": -0.174585, "FDA_Category_D_Weighted_Contribution": 0.727771, "FDA_Category_D_Top_Rank": 0.0516491, "FDA_Category_X_L1000_Similarity": 2.60321, "FDA_Category_X_Structural_Similarity": -0.521373, "FDA_Category_X_Weighted_Contribution": 0.687004, "FDA_Category_X_Top_Rank": 0.21895, "FDA_Category_D_and_X_L1000_Similarity": 2.28324, "FDA_Category_D_and_X_Structural_Similarity": -0.419901, "FDA_Category_D_and_X_Weighted_Contribution": 0.709116, "FDA_Category_D_and_X_Top_Rank": 0.27224, "Placenta_Crossing_L1000_Similarity": 1.78658, "Placenta_Crossing_Structural_Similarity": -0.226113, "Placenta_Crossing_Weighted_Contribution": 0.527043, "Placenta_Crossing_Top_Rank": -0.00299552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F", "InChI_key": "XEOVWJYINDYNSM-UHFFFAOYSA-N" } }, "CID:6918540": { "type": "Drug", "properties": { "id": "CID:6918540", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6918540", "label": "dalcetrapib", "ref": "LSM-6227", "FDA_Category_D_L1000_Similarity": 1.53988, "FDA_Category_D_Structural_Similarity": -0.607964, "FDA_Category_D_Weighted_Contribution": 0.165392, "FDA_Category_D_Top_Rank": 0.000148339, "FDA_Category_X_L1000_Similarity": -0.945614, "FDA_Category_X_Structural_Similarity": 0.241945, "FDA_Category_X_Weighted_Contribution": -0.334329, "FDA_Category_X_Top_Rank": -0.0718321, "FDA_Category_D_and_X_L1000_Similarity": 1.04024, "FDA_Category_D_and_X_Structural_Similarity": -0.351996, "FDA_Category_D_and_X_Weighted_Contribution": 0.0789838, "FDA_Category_D_and_X_Top_Rank": -0.0665638, "Placenta_Crossing_L1000_Similarity": 1.60226, "Placenta_Crossing_Structural_Similarity": 0.0880423, "Placenta_Crossing_Weighted_Contribution": 0.758468, "Placenta_Crossing_Top_Rank": -0.0282772, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C", "InChI_key": "YZQLWPMZQVHJED-UHFFFAOYSA-N" } }, "CID:72200818": { "type": "Drug", "properties": { "id": "CID:72200818", "label": "GSK-J1", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/72200818", "FDA_Category_D_L1000_Similarity": 1.05649, "FDA_Category_D_Structural_Similarity": -0.705655, "FDA_Category_D_Weighted_Contribution": -0.192013, "FDA_Category_D_Top_Rank": -0.0617303, "FDA_Category_X_L1000_Similarity": 1.94204, "FDA_Category_X_Structural_Similarity": -0.259501, "FDA_Category_X_Weighted_Contribution": 0.611021, "FDA_Category_X_Top_Rank": 0.00165618, "FDA_Category_D_and_X_L1000_Similarity": 1.50048, "FDA_Category_D_and_X_Structural_Similarity": -0.700113, "FDA_Category_D_and_X_Weighted_Contribution": -0.00524261, "FDA_Category_D_and_X_Top_Rank": -0.0235163, "Placenta_Crossing_L1000_Similarity": 1.4953, "Placenta_Crossing_Structural_Similarity": -0.397419, "Placenta_Crossing_Weighted_Contribution": 0.205183, "Placenta_Crossing_Top_Rank": -0.040352, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:88505": { "type": "Drug", "properties": { "id": "CID:88505", "label": "DMNB", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/88505", "FDA_Category_D_L1000_Similarity": 0.993483, "FDA_Category_D_Structural_Similarity": 2.65003, "FDA_Category_D_Weighted_Contribution": 3.09315, "FDA_Category_D_Top_Rank": 0.156704, "FDA_Category_X_L1000_Similarity": 0.00925551, "FDA_Category_X_Structural_Similarity": -0.564677, "FDA_Category_X_Weighted_Contribution": -0.610253, "FDA_Category_X_Top_Rank": -0.0875397, "FDA_Category_D_and_X_L1000_Similarity": 0.859214, "FDA_Category_D_and_X_Structural_Similarity": 1.79867, "FDA_Category_D_and_X_Weighted_Contribution": 2.19283, "FDA_Category_D_and_X_Top_Rank": 0.0160821, "Placenta_Crossing_L1000_Similarity": 1.42374, "Placenta_Crossing_Structural_Similarity": 1.29848, "Placenta_Crossing_Weighted_Contribution": 1.95301, "Placenta_Crossing_Top_Rank": -0.0328511, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9810929": { "type": "Drug", "properties": { "id": "CID:9810929", "label": "dolastatin 10", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9810929", "FDA_Category_D_L1000_Similarity": 0.177155, "FDA_Category_D_Structural_Similarity": 0.6991, "FDA_Category_D_Weighted_Contribution": 0.68869, "FDA_Category_D_Top_Rank": -0.0642267, "FDA_Category_X_L1000_Similarity": -1.01674, "FDA_Category_X_Structural_Similarity": -0.517602, "FDA_Category_X_Weighted_Contribution": -0.947847, "FDA_Category_X_Top_Rank": -0.0900673, "FDA_Category_D_and_X_L1000_Similarity": -0.156053, "FDA_Category_D_and_X_Structural_Similarity": 0.27559, "FDA_Category_D_and_X_Weighted_Contribution": 0.038557, "FDA_Category_D_and_X_Top_Rank": -0.0800112, "Placenta_Crossing_L1000_Similarity": -0.86725, "Placenta_Crossing_Structural_Similarity": 0.417293, "Placenta_Crossing_Weighted_Contribution": -0.154842, "Placenta_Crossing_Top_Rank": -0.0720407, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C", "InChI_key": "OFDNQWIFNXBECV-VFSYNPLYSA-N" } }, "CID:9828429": { "type": "Drug", "properties": { "id": "CID:9828429", "label": "proscillaridin", "lsm": "LSM-1476", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9828429", "FDA_Category_D_L1000_Similarity": -1.77971, "FDA_Category_X_L1000_Similarity": -2.8237, "FDA_Category_D_and_X_L1000_Similarity": -2.39165, "Placenta_Crossing_L1000_Similarity": -2.05687, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O", "InChI_key": "MYEJFUXQJGHEQK-BVLCKXLMSA-N" } }, "CID:107905": { "type": "Drug", "properties": { "id": "CID:107905", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID107905", "label": "epicatechin", "FDA_Category_D_L1000_Similarity": 1.68453, "FDA_Category_D_Structural_Similarity": 1.86387, "FDA_Category_D_Weighted_Contribution": 2.7894, "FDA_Category_D_Top_Rank": 0.0359087, "FDA_Category_X_L1000_Similarity": -0.297357, "FDA_Category_X_Structural_Similarity": -0.236471, "FDA_Category_X_Weighted_Contribution": -0.467439, "FDA_Category_X_Top_Rank": -0.085255, "FDA_Category_D_and_X_L1000_Similarity": 1.36179, "FDA_Category_D_and_X_Structural_Similarity": 1.35178, "FDA_Category_D_and_X_Weighted_Contribution": 2.0304, "FDA_Category_D_and_X_Top_Rank": -0.0268914, "Placenta_Crossing_L1000_Similarity": 1.46403, "Placenta_Crossing_Structural_Similarity": -0.962296, "Placenta_Crossing_Weighted_Contribution": -0.325808, "Placenta_Crossing_Top_Rank": -0.0434651, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O", "InChI_key": "LSHVYAFMTMFKBA-TZIWHRDSSA-N" } }, "CID:11226090": { "type": "Drug", "properties": { "id": "CID:11226090", "label": "taranabant", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11226090", "FDA_Category_D_L1000_Similarity": -0.290271, "FDA_Category_D_Structural_Similarity": -0.145103, "FDA_Category_D_Weighted_Contribution": -0.388828, "FDA_Category_D_Top_Rank": -0.0884565, "FDA_Category_X_L1000_Similarity": -0.624152, "FDA_Category_X_Structural_Similarity": -0.562272, "FDA_Category_X_Weighted_Contribution": -0.844889, "FDA_Category_X_Top_Rank": -0.0904304, "FDA_Category_D_and_X_L1000_Similarity": -0.439759, "FDA_Category_D_and_X_Structural_Similarity": -0.41857, "FDA_Category_D_and_X_Weighted_Contribution": -0.66887, "FDA_Category_D_and_X_Top_Rank": -0.0931604, "Placenta_Crossing_L1000_Similarity": 0.842115, "Placenta_Crossing_Structural_Similarity": 0.457251, "Placenta_Crossing_Weighted_Contribution": 0.741057, "Placenta_Crossing_Top_Rank": -0.0707839, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F", "InChI_key": "QLYKJCMUNUWAGO-GAJHUEQPSA-N" } }, "CID:11373846": { "type": "Drug", "properties": { "id": "CID:11373846", "label": "gsk-429286a", "lsm": "LSM-1012", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11373846", "FDA_Category_D_L1000_Similarity": 0.740595, "FDA_Category_D_Structural_Similarity": -0.810708, "FDA_Category_D_Weighted_Contribution": -0.439878, "FDA_Category_D_Top_Rank": -0.0782405, "FDA_Category_X_L1000_Similarity": 1.91268, "FDA_Category_X_Structural_Similarity": -0.6657, "FDA_Category_X_Weighted_Contribution": 0.164688, "FDA_Category_X_Top_Rank": -0.00322019, "FDA_Category_D_and_X_L1000_Similarity": 1.21925, "FDA_Category_D_and_X_Structural_Similarity": -1.00268, "FDA_Category_D_and_X_Weighted_Contribution": -0.404963, "FDA_Category_D_and_X_Top_Rank": -0.0535871, "Placenta_Crossing_L1000_Similarity": 2.255, "Placenta_Crossing_Structural_Similarity": -1.0735, "Placenta_Crossing_Weighted_Contribution": -0.0705811, "Placenta_Crossing_Top_Rank": 0.134068, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F", "InChI_key": "OLIIUAHHAZEXEX-UHFFFAOYSA-N" } }, "CID:135419190": { "type": "Drug", "properties": { "id": "CID:135419190", "label": "ag-879", "lsm": "LSM-3320", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135419190", "FDA_Category_D_L1000_Similarity": -2.03476, "FDA_Category_D_Structural_Similarity": -0.0471158, "FDA_Category_D_Weighted_Contribution": -1.03965, "FDA_Category_D_Top_Rank": -0.0862174, "FDA_Category_X_L1000_Similarity": -2.55385, "FDA_Category_X_Structural_Similarity": 0.212077, "FDA_Category_X_Weighted_Contribution": -0.973563, "FDA_Category_X_Top_Rank": -0.0728608, "FDA_Category_D_and_X_L1000_Similarity": -2.52955, "FDA_Category_D_and_X_Structural_Similarity": 0.0770394, "FDA_Category_D_and_X_Weighted_Contribution": -1.09102, "FDA_Category_D_and_X_Top_Rank": -0.0846397, "Placenta_Crossing_L1000_Similarity": -3.28162, "Placenta_Crossing_Structural_Similarity": -0.0596219, "Placenta_Crossing_Weighted_Contribution": -1.28896, "Placenta_Crossing_Top_Rank": -0.0834298, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=S)N", "InChI_key": "XRZYELWZLNAXGE-KPKJPENVSA-N" } }, "CID:156422": { "type": "Drug", "properties": { "id": "CID:156422", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID156422", "label": "1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea", "FDA_Category_D_L1000_Similarity": 1.91557, "FDA_Category_D_Structural_Similarity": -0.508561, "FDA_Category_D_Weighted_Contribution": 0.48881, "FDA_Category_D_Top_Rank": 0.129353, "FDA_Category_X_L1000_Similarity": 1.79315, "FDA_Category_X_Structural_Similarity": 0.144725, "FDA_Category_X_Weighted_Contribution": 0.979148, "FDA_Category_X_Top_Rank": -0.0200993, "FDA_Category_D_and_X_L1000_Similarity": 2.19579, "FDA_Category_D_and_X_Structural_Similarity": -0.325558, "FDA_Category_D_and_X_Weighted_Contribution": 0.756705, "FDA_Category_D_and_X_Top_Rank": 0.214185, "Placenta_Crossing_L1000_Similarity": 3.08469, "Placenta_Crossing_Structural_Similarity": -0.796284, "Placenta_Crossing_Weighted_Contribution": 0.619018, "Placenta_Crossing_Top_Rank": 1.32661, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5", "InChI_key": "MVCOAUNKQVWQHZ-UHFFFAOYSA-N" } }, "CID:16004692": { "type": "Drug", "properties": { "id": "CID:16004692", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16004692", "label": "macitentan", "FDA_Category_D_L1000_Similarity": 0.099395, "FDA_Category_D_Structural_Similarity": -0.744104, "FDA_Category_D_Weighted_Contribution": -0.6786, "FDA_Category_D_Top_Rank": -0.0913112, "FDA_Category_X_L1000_Similarity": -0.102864, "FDA_Category_X_Structural_Similarity": 2.94167, "FDA_Category_X_Weighted_Contribution": 2.94049, "FDA_Category_X_Top_Rank": 0.198169, "FDA_Category_D_and_X_L1000_Similarity": 0.0544411, "FDA_Category_D_and_X_Structural_Similarity": 0.996707, "FDA_Category_D_and_X_Weighted_Contribution": 0.885587, "FDA_Category_D_and_X_Top_Rank": -0.0533302, "Placenta_Crossing_L1000_Similarity": 0.268886, "Placenta_Crossing_Structural_Similarity": -0.406725, "Placenta_Crossing_Weighted_Contribution": -0.368227, "Placenta_Crossing_Top_Rank": -0.0860057, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br", "InChI_key": "JGCMEBMXRHSZKX-UHFFFAOYSA-N" } }, "CID:20039": { "type": "Drug", "properties": { "id": "CID:20039", "label": "dideoxyadenosine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/20039", "FDA_Category_D_L1000_Similarity": 0.740821, "FDA_Category_D_Structural_Similarity": 1.71724, "FDA_Category_D_Weighted_Contribution": 2.13586, "FDA_Category_D_Top_Rank": 0.00858755, "FDA_Category_X_L1000_Similarity": 0.665768, "FDA_Category_X_Structural_Similarity": -0.363146, "FDA_Category_X_Weighted_Contribution": -0.150498, "FDA_Category_X_Top_Rank": -0.0799153, "FDA_Category_D_and_X_L1000_Similarity": 0.840779, "FDA_Category_D_and_X_Structural_Similarity": 1.16705, "FDA_Category_D_and_X_Weighted_Contribution": 1.53809, "FDA_Category_D_and_X_Top_Rank": -0.0414354, "Placenta_Crossing_L1000_Similarity": -0.357179, "Placenta_Crossing_Structural_Similarity": 3.37971, "Placenta_Crossing_Weighted_Contribution": 3.01041, "Placenta_Crossing_Top_Rank": 0.299819, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:262093": { "type": "Drug", "properties": { "id": "CID:262093", "label": "sa-792541", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/262093", "FDA_Category_D_L1000_Similarity": -1.48588, "FDA_Category_D_Structural_Similarity": -0.91475, "FDA_Category_D_Weighted_Contribution": -1.31772, "FDA_Category_D_Top_Rank": -0.096737, "FDA_Category_X_L1000_Similarity": -0.408977, "FDA_Category_X_Structural_Similarity": -0.572846, "FDA_Category_X_Weighted_Contribution": -0.775534, "FDA_Category_X_Top_Rank": -0.0897166, "FDA_Category_D_and_X_L1000_Similarity": -1.40505, "FDA_Category_D_and_X_Structural_Similarity": -1.03515, "FDA_Category_D_and_X_Weighted_Contribution": -1.32123, "FDA_Category_D_and_X_Top_Rank": -0.0965981, "Placenta_Crossing_L1000_Similarity": -1.26329, "Placenta_Crossing_Structural_Similarity": -0.380256, "Placenta_Crossing_Weighted_Contribution": -0.913946, "Placenta_Crossing_Top_Rank": -0.0884756, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO", "InChI_key": "MAASHDQFQDDECQ-UHFFFAOYSA-N" } }, "CID:2719": { "type": "Drug", "properties": { "id": "CID:2719", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2719", "label": "chloroquine", "FDA_Category_D_L1000_Similarity": 1.99023, "FDA_Category_D_Structural_Similarity": -0.526149, "FDA_Category_D_Weighted_Contribution": 0.51605, "FDA_Category_D_Top_Rank": 0.189846, "FDA_Category_X_L1000_Similarity": 3.53384, "FDA_Category_X_Structural_Similarity": -0.61255, "FDA_Category_X_Weighted_Contribution": 1.10833, "FDA_Category_X_Top_Rank": 2.06971, "FDA_Category_D_and_X_L1000_Similarity": 2.78877, "FDA_Category_D_and_X_Structural_Similarity": -0.748141, "FDA_Category_D_and_X_Weighted_Contribution": 0.662229, "FDA_Category_D_and_X_Top_Rank": 1.06876, "Placenta_Crossing_L1000_Similarity": 2.80212, "Placenta_Crossing_Structural_Similarity": -0.432793, "Placenta_Crossing_Weighted_Contribution": 0.852057, "Placenta_Crossing_Top_Rank": 0.587088, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl", "InChI_key": "WHTVZRBIWZFKQO-UHFFFAOYSA-N" } }, "CID:3055": { "type": "Drug", "properties": { "id": "CID:3055", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3055", "label": "diphenidol", "FDA_Category_D_L1000_Similarity": 1.16033, "FDA_Category_D_Structural_Similarity": -0.953927, "FDA_Category_D_Weighted_Contribution": -0.354783, "FDA_Category_D_Top_Rank": -0.0525381, "FDA_Category_X_L1000_Similarity": 0.61254, "FDA_Category_X_Structural_Similarity": -0.731199, "FDA_Category_X_Weighted_Contribution": -0.500414, "FDA_Category_X_Top_Rank": -0.0808173, "FDA_Category_D_and_X_L1000_Similarity": 1.18624, "FDA_Category_D_and_X_Structural_Similarity": -1.1517, "FDA_Category_D_and_X_Weighted_Contribution": -0.536843, "FDA_Category_D_and_X_Top_Rank": -0.0557072, "Placenta_Crossing_L1000_Similarity": -0.0122814, "Placenta_Crossing_Structural_Similarity": -1.09708, "Placenta_Crossing_Weighted_Contribution": -0.964314, "Placenta_Crossing_Top_Rank": -0.0884468, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O", "InChI_key": "OGAKLTJNUQRZJU-UHFFFAOYSA-N" } }, "CID:3763775": { "type": "Drug", "properties": { "id": "CID:3763775", "label": "mw-mitf22", "lsm": "LSM-6574", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3763775", "FDA_Category_D_L1000_Similarity": 1.90325, "FDA_Category_D_Structural_Similarity": -0.0285056, "FDA_Category_D_Weighted_Contribution": 0.994329, "FDA_Category_D_Top_Rank": 0.120307, "FDA_Category_X_L1000_Similarity": 0.63369, "FDA_Category_X_Structural_Similarity": -0.691313, "FDA_Category_X_Weighted_Contribution": -0.458107, "FDA_Category_X_Top_Rank": -0.0805081, "FDA_Category_D_and_X_L1000_Similarity": 1.83307, "FDA_Category_D_and_X_Structural_Similarity": -0.395655, "FDA_Category_D_and_X_Weighted_Contribution": 0.473247, "FDA_Category_D_and_X_Top_Rank": 0.0397886, "Placenta_Crossing_L1000_Similarity": 1.9991, "Placenta_Crossing_Structural_Similarity": -0.373486, "Placenta_Crossing_Weighted_Contribution": 0.486223, "Placenta_Crossing_Top_Rank": 0.0434219, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4", "InChI_key": "RMPULVLSYIHHQO-UHFFFAOYSA-N" } }, "CID:3926765": { "type": "Drug", "properties": { "id": "CID:3926765", "label": "amsacrine", "lsm": "LSM-4221", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3926765", "IDG_ID": "203", "FDA_Category_D_L1000_Similarity": -0.0640043, "FDA_Category_D_Structural_Similarity": -0.702639, "FDA_Category_D_Weighted_Contribution": -0.717757, "FDA_Category_D_Top_Rank": -0.0927212, "FDA_Category_X_L1000_Similarity": -5.16675, "FDA_Category_X_Structural_Similarity": -0.364883, "FDA_Category_X_Weighted_Contribution": -1.76333, "FDA_Category_X_Top_Rank": -0.0876192, "FDA_Category_D_and_X_L1000_Similarity": -1.62421, "FDA_Category_D_and_X_Structural_Similarity": -0.754583, "FDA_Category_D_and_X_Weighted_Contribution": -1.25186, "FDA_Category_D_and_X_Top_Rank": -0.0957202, "Placenta_Crossing_L1000_Similarity": -3.8277, "Placenta_Crossing_Structural_Similarity": -0.456561, "Placenta_Crossing_Weighted_Contribution": -1.54283, "Placenta_Crossing_Top_Rank": -0.0893029, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=CC(=C1)NS(=O)(=O)C)CC2=C3C=CC=CC3=NC4=CC=CC=C42", "InChI_key": "JRNUZHHDXNSOMO-UHFFFAOYSA-N" } }, "CID:42636350": { "type": "Drug", "properties": { "id": "CID:42636350", "label": "azd-7687", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/42636350", "FDA_Category_D_L1000_Similarity": 0.412184, "FDA_Category_D_Structural_Similarity": 0.662475, "FDA_Category_D_Weighted_Contribution": 0.796912, "FDA_Category_D_Top_Rank": -0.0654025, "FDA_Category_X_L1000_Similarity": 0.310276, "FDA_Category_X_Structural_Similarity": 0.929293, "FDA_Category_X_Weighted_Contribution": 1.02735, "FDA_Category_X_Top_Rank": -0.0442527, "FDA_Category_D_and_X_L1000_Similarity": 0.449534, "FDA_Category_D_and_X_Structural_Similarity": 1.02726, "FDA_Category_D_and_X_Weighted_Contribution": 1.15471, "FDA_Category_D_and_X_Top_Rank": -0.051685, "Placenta_Crossing_L1000_Similarity": 0.113028, "Placenta_Crossing_Structural_Similarity": -0.0447573, "Placenta_Crossing_Weighted_Contribution": -0.123203, "Placenta_Crossing_Top_Rank": -0.0831628, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "YXFNPRHZMOGREC-SHTZXODSSA-N" } }, "CID:444036": { "type": "Drug", "properties": { "id": "CID:444036", "label": "fluticasone propionate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/444036", "FDA_Category_D_L1000_Similarity": 0.355298, "FDA_Category_X_L1000_Similarity": -0.461873, "FDA_Category_D_and_X_L1000_Similarity": 0.16601, "Placenta_Crossing_L1000_Similarity": 0.789365, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF", "InChI_key": "WMWTYOKRWGGJOA-CENSZEJFSA-N" } }, "CID:44483270": { "type": "Drug", "properties": { "id": "CID:44483270", "label": "ouabain", "lsm": "LSM-1740", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483270", "FDA_Category_D_L1000_Similarity": -1.44613, "FDA_Category_D_Structural_Similarity": 0.560677, "FDA_Category_D_Weighted_Contribution": -0.364634, "FDA_Category_D_Top_Rank": -0.0689712, "FDA_Category_X_L1000_Similarity": -2.69949, "FDA_Category_X_Structural_Similarity": 1.65871, "FDA_Category_X_Weighted_Contribution": 0.181485, "FDA_Category_X_Top_Rank": 0.00276716, "FDA_Category_D_and_X_L1000_Similarity": -2.06637, "FDA_Category_D_and_X_Structural_Similarity": 1.34005, "FDA_Category_D_and_X_Weighted_Contribution": 0.0325748, "FDA_Category_D_and_X_Top_Rank": -0.0274926, "Placenta_Crossing_L1000_Similarity": -1.76222, "Placenta_Crossing_Structural_Similarity": 1.1695, "Placenta_Crossing_Weighted_Contribution": 0.122023, "Placenta_Crossing_Top_Rank": -0.0415674, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O", "InChI_key": "LPMXVESGRSUGHW-CIMHIGIKSA-N" } }, "CID:4878": { "type": "Drug", "properties": { "id": "CID:4878", "label": "pp-2", "lsm": "LSM-4153", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4878", "FDA_Category_D_L1000_Similarity": -1.7175, "FDA_Category_D_Structural_Similarity": -0.605182, "FDA_Category_D_Weighted_Contribution": -1.23709, "FDA_Category_D_Top_Rank": -0.0951026, "FDA_Category_X_L1000_Similarity": -0.353557, "FDA_Category_X_Structural_Similarity": -0.616225, "FDA_Category_X_Weighted_Contribution": -0.786895, "FDA_Category_X_Top_Rank": -0.0895083, "FDA_Category_D_and_X_L1000_Similarity": -1.58788, "FDA_Category_D_and_X_Structural_Similarity": -0.812854, "FDA_Category_D_and_X_Weighted_Contribution": -1.26904, "FDA_Category_D_and_X_Top_Rank": -0.0960099, "Placenta_Crossing_L1000_Similarity": -1.26437, "Placenta_Crossing_Structural_Similarity": -0.433193, "Placenta_Crossing_Weighted_Contribution": -0.946932, "Placenta_Crossing_Top_Rank": -0.0890494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N", "InChI_key": "PBBRWFOVCUAONR-UHFFFAOYSA-N" } }, "CID:51003716": { "type": "Drug", "properties": { "id": "CID:51003716", "label": "cvf-sumo-11", "lsm": "LSM-4838", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51003716", "FDA_Category_D_L1000_Similarity": -2.38201, "FDA_Category_D_Structural_Similarity": -0.831063, "FDA_Category_D_Weighted_Contribution": -1.49231, "FDA_Category_D_Top_Rank": -0.0966467, "FDA_Category_X_L1000_Similarity": -2.40531, "FDA_Category_X_Structural_Similarity": -0.554365, "FDA_Category_X_Weighted_Contribution": -1.35564, "FDA_Category_X_Top_Rank": -0.0905448, "FDA_Category_D_and_X_L1000_Similarity": -2.78378, "FDA_Category_D_and_X_Structural_Similarity": -0.958759, "FDA_Category_D_and_X_Weighted_Contribution": -1.56679, "FDA_Category_D_and_X_Top_Rank": -0.0965857, "Placenta_Crossing_L1000_Similarity": -3.25929, "Placenta_Crossing_Structural_Similarity": -0.891336, "Placenta_Crossing_Weighted_Contribution": -1.58666, "Placenta_Crossing_Top_Rank": -0.0921398, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F", "InChI_key": "KHAJVRBVKPILIO-UHFFFAOYSA-N" } }, "CID:51576": { "type": "Drug", "properties": { "id": "CID:51576", "label": "acifran", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51576", "FDA_Category_D_L1000_Similarity": 1.31432, "FDA_Category_D_Structural_Similarity": -0.799001, "FDA_Category_D_Weighted_Contribution": -0.140148, "FDA_Category_D_Top_Rank": -0.0358908, "FDA_Category_X_L1000_Similarity": 1.14533, "FDA_Category_X_Structural_Similarity": -0.385632, "FDA_Category_X_Weighted_Contribution": 0.0600545, "FDA_Category_X_Top_Rank": -0.0664543, "FDA_Category_D_and_X_L1000_Similarity": 1.48078, "FDA_Category_D_and_X_Structural_Similarity": -0.842263, "FDA_Category_D_and_X_Weighted_Contribution": -0.144131, "FDA_Category_D_and_X_Top_Rank": -0.0261778, "Placenta_Crossing_L1000_Similarity": 1.5703, "Placenta_Crossing_Structural_Similarity": -0.475586, "Placenta_Crossing_Weighted_Contribution": 0.166037, "Placenta_Crossing_Top_Rank": -0.0319685, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5202": { "type": "Drug", "properties": { "id": "CID:5202", "label": "serotonin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5202", "FDA_Category_D_L1000_Similarity": 1.54273, "FDA_Category_D_Structural_Similarity": -0.607723, "FDA_Category_D_Weighted_Contribution": 0.167266, "FDA_Category_D_Top_Rank": 0.00108554, "FDA_Category_X_L1000_Similarity": 1.13941, "FDA_Category_X_Structural_Similarity": 1.5956, "FDA_Category_X_Weighted_Contribution": 2.23613, "FDA_Category_X_Top_Rank": -0.002553, "FDA_Category_D_and_X_L1000_Similarity": 1.67586, "FDA_Category_D_and_X_Structural_Similarity": 0.378621, "FDA_Category_D_and_X_Weighted_Contribution": 1.19628, "FDA_Category_D_and_X_Top_Rank": 0.00508939, "Placenta_Crossing_L1000_Similarity": 1.94999, "Placenta_Crossing_Structural_Similarity": -0.646845, "Placenta_Crossing_Weighted_Contribution": 0.186836, "Placenta_Crossing_Top_Rank": 0.0318368, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1O)C(=CN2)CCN", "InChI_key": "QZAYGJVTTNCVMB-UHFFFAOYSA-N" } }, "CID:5281670": { "type": "Drug", "properties": { "id": "CID:5281670", "label": "morin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281670", "FDA_Category_D_L1000_Similarity": 1.22168, "FDA_Category_D_Structural_Similarity": 0.668825, "FDA_Category_D_Weighted_Contribution": 1.32047, "FDA_Category_D_Top_Rank": -0.0465566, "FDA_Category_X_L1000_Similarity": 0.809012, "FDA_Category_X_Structural_Similarity": -0.67054, "FDA_Category_X_Weighted_Contribution": -0.364692, "FDA_Category_X_Top_Rank": -0.0766845, "FDA_Category_D_and_X_L1000_Similarity": 1.2988, "FDA_Category_D_and_X_Structural_Similarity": 0.169034, "FDA_Category_D_and_X_Weighted_Contribution": 0.748045, "FDA_Category_D_and_X_Top_Rank": -0.0471886, "Placenta_Crossing_L1000_Similarity": 0.602513, "Placenta_Crossing_Structural_Similarity": 0.055874, "Placenta_Crossing_Weighted_Contribution": 0.205549, "Placenta_Crossing_Top_Rank": -0.0809598, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5350": { "type": "Drug", "properties": { "id": "CID:5350", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5350", "label": "sulforaphane", "FDA_Category_D_L1000_Similarity": -0.252707, "FDA_Category_D_Structural_Similarity": -0.955693, "FDA_Category_D_Weighted_Contribution": -0.9592, "FDA_Category_D_Top_Rank": -0.0939717, "FDA_Category_X_L1000_Similarity": 1.49326, "FDA_Category_X_Structural_Similarity": -0.705219, "FDA_Category_X_Weighted_Contribution": -0.0821081, "FDA_Category_X_Top_Rank": -0.0474562, "FDA_Category_D_and_X_L1000_Similarity": 0.235634, "FDA_Category_D_and_X_Structural_Similarity": -1.13908, "FDA_Category_D_and_X_Weighted_Contribution": -0.897671, "FDA_Category_D_and_X_Top_Rank": -0.0897886, "Placenta_Crossing_L1000_Similarity": 0.798889, "Placenta_Crossing_Structural_Similarity": 2.39983, "Placenta_Crossing_Weighted_Contribution": 2.695, "Placenta_Crossing_Top_Rank": 0.0752244, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)CCCCN=C=S", "InChI_key": "SUVMJBTUFCVSAD-UHFFFAOYSA-N" } }, "CID:54445": { "type": "Drug", "properties": { "id": "CID:54445", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID54445", "label": "castanospermine", "FDA_Category_D_L1000_Similarity": 0.611667, "FDA_Category_D_Structural_Similarity": -0.772745, "FDA_Category_D_Weighted_Contribution": -0.4703, "FDA_Category_D_Top_Rank": -0.0823184, "FDA_Category_X_L1000_Similarity": -0.0233128, "FDA_Category_X_Structural_Similarity": -0.745199, "FDA_Category_X_Weighted_Contribution": -0.760442, "FDA_Category_X_Top_Rank": -0.0877421, "FDA_Category_D_and_X_L1000_Similarity": 0.520194, "FDA_Category_D_and_X_Structural_Similarity": -1.01544, "FDA_Category_D_and_X_Weighted_Contribution": -0.710457, "FDA_Category_D_and_X_Top_Rank": -0.085272, "Placenta_Crossing_L1000_Similarity": -0.301064, "Placenta_Crossing_Structural_Similarity": -1.02717, "Placenta_Crossing_Weighted_Contribution": -1.00964, "Placenta_Crossing_Top_Rank": -0.0900541, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CC(C(C(C2C1O)O)O)O", "InChI_key": "JDVVGAQPNNXQDW-TVNFTVLESA-N" } }, "CID:54614567": { "type": "Drug", "properties": { "id": "CID:54614567", "label": "SA-441181", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54614567", "FDA_Category_D_L1000_Similarity": -0.259768, "FDA_Category_D_Structural_Similarity": -0.0986623, "FDA_Category_D_Weighted_Contribution": -0.334738, "FDA_Category_D_Top_Rank": -0.0874976, "FDA_Category_X_L1000_Similarity": 0.72948, "FDA_Category_X_Structural_Similarity": -0.0554085, "FDA_Category_X_Weighted_Contribution": 0.183279, "FDA_Category_X_Top_Rank": -0.0785027, "FDA_Category_D_and_X_L1000_Similarity": -0.00239025, "FDA_Category_D_and_X_Structural_Similarity": -0.108208, "FDA_Category_D_and_X_Weighted_Contribution": -0.229448, "FDA_Category_D_and_X_Top_Rank": -0.0884883, "Placenta_Crossing_L1000_Similarity": 0.902733, "Placenta_Crossing_Structural_Similarity": -0.407493, "Placenta_Crossing_Weighted_Contribution": -0.0888614, "Placenta_Crossing_Top_Rank": -0.073499, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:57369718": { "type": "Drug", "properties": { "id": "CID:57369718", "label": "vecuronium", "lsm": "LSM-5367", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57369718", "IDG_ID": "2811", "FDA_Category_D_L1000_Similarity": 1.51754, "FDA_Category_D_Structural_Similarity": 0.516605, "FDA_Category_D_Weighted_Contribution": 1.34347, "FDA_Category_D_Top_Rank": -0.00412531, "FDA_Category_X_L1000_Similarity": 1.62818, "FDA_Category_X_Structural_Similarity": 0.996297, "FDA_Category_X_Weighted_Contribution": 1.85111, "FDA_Category_X_Top_Rank": -0.0373439, "FDA_Category_D_and_X_L1000_Similarity": 1.8026, "FDA_Category_D_and_X_Structural_Similarity": 0.947634, "FDA_Category_D_and_X_Weighted_Contribution": 1.87158, "FDA_Category_D_and_X_Top_Rank": 0.0320589, "Placenta_Crossing_L1000_Similarity": 2.52863, "Placenta_Crossing_Structural_Similarity": -0.249844, "Placenta_Crossing_Weighted_Contribution": 0.899374, "Placenta_Crossing_Top_Rank": 0.305761, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C", "InChI_key": "BGSZAXLLHYERSY-NGQATJDKSA-N" } }, "CID:60464": { "type": "Drug", "properties": { "id": "CID:60464", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60464", "label": "sparfloxacin", "FDA_Category_D_L1000_Similarity": 0.172529, "FDA_Category_D_Structural_Similarity": -0.0107148, "FDA_Category_D_Weighted_Contribution": -0.0298261, "FDA_Category_D_Top_Rank": -0.0854301, "FDA_Category_X_L1000_Similarity": -0.352173, "FDA_Category_X_Structural_Similarity": -0.578172, "FDA_Category_X_Weighted_Contribution": -0.758633, "FDA_Category_X_Top_Rank": -0.0895056, "FDA_Category_D_and_X_L1000_Similarity": 0.0417741, "FDA_Category_D_and_X_Structural_Similarity": -0.320484, "FDA_Category_D_and_X_Weighted_Contribution": -0.386973, "FDA_Category_D_and_X_Top_Rank": -0.0918307, "Placenta_Crossing_L1000_Similarity": 1.15293, "Placenta_Crossing_Structural_Similarity": -0.813981, "Placenta_Crossing_Weighted_Contribution": -0.333811, "Placenta_Crossing_Top_Rank": -0.0643136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F", "InChI_key": "DZZWHBIBMUVIIW-DTORHVGOSA-N" } }, "CID:6708778": { "type": "Drug", "properties": { "id": "CID:6708778", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6708778", "label": "teniposide", "FDA_Category_D_L1000_Similarity": 0.640331, "FDA_Category_D_Structural_Similarity": 1.69989, "FDA_Category_D_Weighted_Contribution": 2.05827, "FDA_Category_D_Top_Rank": 0.0052149, "FDA_Category_X_L1000_Similarity": -3.72772, "FDA_Category_X_Structural_Similarity": 0.327367, "FDA_Category_X_Weighted_Contribution": -1.24769, "FDA_Category_X_Top_Rank": -0.0686048, "FDA_Category_D_and_X_L1000_Similarity": -0.580063, "FDA_Category_D_and_X_Structural_Similarity": 1.52587, "FDA_Category_D_and_X_Weighted_Contribution": 1.07061, "FDA_Category_D_and_X_Top_Rank": -0.0121913, "Placenta_Crossing_L1000_Similarity": -2.14727, "Placenta_Crossing_Structural_Similarity": -0.135676, "Placenta_Crossing_Weighted_Contribution": -1.0356, "Placenta_Crossing_Top_Rank": -0.0849131, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O", "InChI_key": "NRUKOCRGYNPUPR-OQMCATNJSA-N" } }, "CID:673465": { "type": "Drug", "properties": { "id": "CID:673465", "label": "evoxine", "lsm": "LSM-3052", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/673465", "FDA_Category_D_L1000_Similarity": 1.26616, "FDA_Category_D_Structural_Similarity": 1.17625, "FDA_Category_D_Weighted_Contribution": 1.89518, "FDA_Category_D_Top_Rank": -0.0416502, "FDA_Category_X_L1000_Similarity": 2.30065, "FDA_Category_X_Structural_Similarity": 0.0634143, "FDA_Category_X_Weighted_Contribution": 1.17541, "FDA_Category_X_Top_Rank": 0.077417, "FDA_Category_D_and_X_L1000_Similarity": 1.79013, "FDA_Category_D_and_X_Structural_Similarity": 0.967827, "FDA_Category_D_and_X_Weighted_Contribution": 1.88508, "FDA_Category_D_and_X_Top_Rank": 0.0301781, "Placenta_Crossing_L1000_Similarity": 1.45783, "Placenta_Crossing_Structural_Similarity": -0.449242, "Placenta_Crossing_Weighted_Contribution": 0.136293, "Placenta_Crossing_Top_Rank": -0.0439608, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O", "InChI_key": "FGANMDNHTVJAHL-CYBMUJFWSA-N" } }, "CID:9444": { "type": "Drug", "properties": { "id": "CID:9444", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9444", "label": "azacitidine", "FDA_Category_D_L1000_Similarity": -0.507109, "FDA_Category_D_Structural_Similarity": 0.307895, "FDA_Category_D_Weighted_Contribution": -0.10339, "FDA_Category_D_Top_Rank": -0.0769943, "FDA_Category_X_L1000_Similarity": -3.09214, "FDA_Category_X_Structural_Similarity": -0.536773, "FDA_Category_X_Weighted_Contribution": -1.49478, "FDA_Category_X_Top_Rank": -0.0903113, "FDA_Category_D_and_X_L1000_Similarity": -1.37616, "FDA_Category_D_and_X_Structural_Similarity": -0.0452601, "FDA_Category_D_and_X_Weighted_Contribution": -0.774252, "FDA_Category_D_and_X_Top_Rank": -0.0871772, "Placenta_Crossing_L1000_Similarity": -1.15676, "Placenta_Crossing_Structural_Similarity": -0.555643, "Placenta_Crossing_Weighted_Contribution": -0.987684, "Placenta_Crossing_Top_Rank": -0.0901896, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N", "InChI_key": "NMUSYJAQQFHJEW-KVTDHHQDSA-N" } }, "CID:9826528": { "type": "Drug", "properties": { "id": "CID:9826528", "label": "pd-0325901", "lsm": "LSM-1101", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9826528", "FDA_Category_D_L1000_Similarity": -0.895282, "FDA_Category_D_Structural_Similarity": -0.350521, "FDA_Category_D_Weighted_Contribution": -0.811458, "FDA_Category_D_Top_Rank": -0.0922208, "FDA_Category_X_L1000_Similarity": -1.83844, "FDA_Category_X_Structural_Similarity": -0.604084, "FDA_Category_X_Weighted_Contribution": -1.24043, "FDA_Category_X_Top_Rank": -0.0911119, "FDA_Category_D_and_X_L1000_Similarity": -1.33005, "FDA_Category_D_and_X_Structural_Similarity": -0.604174, "FDA_Category_D_and_X_Weighted_Contribution": -1.09573, "FDA_Category_D_and_X_Top_Rank": -0.0948216, "Placenta_Crossing_L1000_Similarity": -1.80459, "Placenta_Crossing_Structural_Similarity": -0.66852, "Placenta_Crossing_Weighted_Contribution": -1.22385, "Placenta_Crossing_Top_Rank": -0.0910412, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O", "InChI_key": "SUDAHWBOROXANE-SECBINFHSA-N" } }, "CID:9888590": { "type": "Drug", "properties": { "id": "CID:9888590", "label": "sunitinib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9888590", "FDA_Category_D_L1000_Similarity": -0.437861, "FDA_Category_D_Structural_Similarity": 0.0871335, "FDA_Category_D_Weighted_Contribution": -0.26459, "FDA_Category_D_Top_Rank": -0.0828977, "FDA_Category_X_L1000_Similarity": -0.655531, "FDA_Category_X_Structural_Similarity": -0.546517, "FDA_Category_X_Weighted_Contribution": -0.844852, "FDA_Category_X_Top_Rank": -0.0904346, "FDA_Category_D_and_X_L1000_Similarity": -0.576511, "FDA_Category_D_and_X_Structural_Similarity": -0.225739, "FDA_Category_D_and_X_Weighted_Contribution": -0.58386, "FDA_Category_D_and_X_Top_Rank": -0.0906229, "Placenta_Crossing_L1000_Similarity": -0.784565, "Placenta_Crossing_Structural_Similarity": 2.0209, "Placenta_Crossing_Weighted_Contribution": 1.53529, "Placenta_Crossing_Top_Rank": 0.0337416, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)N(C1=CC=CC=C1C=CC2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC", "InChI_key": "OCKHRKSTDPOHEN-BQYQJAHWSA-N" } }, "CID:104842": { "type": "Drug", "properties": { "id": "CID:104842", "label": "7-ethyl-10-hydroxycamptothecin", "lsm": "LSM-6189", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/104842", "FDA_Category_D_L1000_Similarity": 1.45963, "FDA_Category_D_Structural_Similarity": 7.60066, "FDA_Category_D_Weighted_Contribution": 4.465, "FDA_Category_D_Top_Rank": 3.48585, "FDA_Category_X_L1000_Similarity": -3.16036, "FDA_Category_X_Structural_Similarity": -0.551639, "FDA_Category_X_Weighted_Contribution": -1.51368, "FDA_Category_X_Top_Rank": -0.0905111, "FDA_Category_D_and_X_L1000_Similarity": 0.298487, "FDA_Category_D_and_X_Structural_Similarity": 5.73508, "FDA_Category_D_and_X_Weighted_Contribution": 4.12271, "FDA_Category_D_and_X_Top_Rank": 1.8769, "Placenta_Crossing_L1000_Similarity": -1.74727, "Placenta_Crossing_Structural_Similarity": 1.17019, "Placenta_Crossing_Weighted_Contribution": 0.12999, "Placenta_Crossing_Top_Rank": -0.0413883, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)O", "InChI_key": "FJHBVJOVLFPMQE-QFIPXVFZSA-N" } }, "CID:124246": { "type": "Drug", "properties": { "id": "CID:124246", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID124246", "label": "iguratimod", "FDA_Category_D_L1000_Similarity": 0.434724, "FDA_Category_D_Structural_Similarity": 0.0584122, "FDA_Category_D_Weighted_Contribution": 0.184295, "FDA_Category_D_Top_Rank": -0.0837186, "FDA_Category_X_L1000_Similarity": 1.21688, "FDA_Category_X_Structural_Similarity": 0.430123, "FDA_Category_X_Weighted_Contribution": 0.975784, "FDA_Category_X_Top_Rank": -0.063378, "FDA_Category_D_and_X_L1000_Similarity": 0.744279, "FDA_Category_D_and_X_Structural_Similarity": 0.278455, "FDA_Category_D_and_X_Weighted_Contribution": 0.538504, "FDA_Category_D_and_X_Top_Rank": -0.0797873, "Placenta_Crossing_L1000_Similarity": 1.29493, "Placenta_Crossing_Structural_Similarity": -0.223691, "Placenta_Crossing_Weighted_Contribution": 0.276308, "Placenta_Crossing_Top_Rank": -0.0559237, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)NC1=C(C=C2C(=C1)OC=C(C2=O)NC=O)OC3=CC=CC=C3", "InChI_key": "ANMATWQYLIFGOK-UHFFFAOYSA-N" } }, "CID:12799467": { "type": "Drug", "properties": { "id": "CID:12799467", "label": "piperacillin", "lsm": "LSM-5924", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/12799467", "FDA_Category_D_L1000_Similarity": 0.101287, "FDA_Category_D_Structural_Similarity": 0.879817, "FDA_Category_D_Weighted_Contribution": 0.834953, "FDA_Category_D_Top_Rank": -0.056934, "FDA_Category_X_L1000_Similarity": 0.41271, "FDA_Category_X_Structural_Similarity": 3.24828, "FDA_Category_X_Weighted_Contribution": 3.39082, "FDA_Category_X_Top_Rank": 0.278371, "FDA_Category_D_and_X_L1000_Similarity": 0.212639, "FDA_Category_D_and_X_Structural_Similarity": 2.45108, "FDA_Category_D_and_X_Weighted_Contribution": 2.46443, "FDA_Category_D_and_X_Top_Rank": 0.0977203, "Placenta_Crossing_L1000_Similarity": 0.636222, "Placenta_Crossing_Structural_Similarity": 8.97832, "Placenta_Crossing_Weighted_Contribution": 4.4265, "Placenta_Crossing_Top_Rank": 26.9755, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:153941": { "type": "Drug", "properties": { "id": "CID:153941", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID153941", "label": "entecavir", "FDA_Category_D_L1000_Similarity": 0.273605, "FDA_Category_D_Structural_Similarity": 0.0417505, "FDA_Category_D_Weighted_Contribution": 0.0761639, "FDA_Category_D_Top_Rank": -0.084136, "FDA_Category_X_L1000_Similarity": 0.479245, "FDA_Category_X_Structural_Similarity": 0.875233, "FDA_Category_X_Weighted_Contribution": 1.06198, "FDA_Category_X_Top_Rank": -0.0463499, "FDA_Category_D_and_X_L1000_Similarity": 0.381387, "FDA_Category_D_and_X_Structural_Similarity": 0.50541, "FDA_Category_D_and_X_Weighted_Contribution": 0.562726, "FDA_Category_D_and_X_Top_Rank": -0.0737181, "Placenta_Crossing_L1000_Similarity": 1.53215, "Placenta_Crossing_Structural_Similarity": 0.189899, "Placenta_Crossing_Weighted_Contribution": 0.829016, "Placenta_Crossing_Top_Rank": -0.0365135, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N", "InChI_key": "QDGZDCVAUDNJFG-FXQIFTODSA-N" } }, "CID:23975549": { "type": "Drug", "properties": { "id": "CID:23975549", "label": "i-505056", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23975549", "FDA_Category_D_L1000_Similarity": -3.50393, "FDA_Category_D_Structural_Similarity": 0.0329836, "FDA_Category_D_Weighted_Contribution": -1.41542, "FDA_Category_D_Top_Rank": -0.0843779, "FDA_Category_X_L1000_Similarity": -2.36755, "FDA_Category_X_Structural_Similarity": 0.544498, "FDA_Category_X_Weighted_Contribution": -0.672809, "FDA_Category_X_Top_Rank": -0.0597979, "FDA_Category_D_and_X_L1000_Similarity": -3.73943, "FDA_Category_D_and_X_Structural_Similarity": 0.319989, "FDA_Category_D_and_X_Weighted_Contribution": -1.30132, "FDA_Category_D_and_X_Top_Rank": -0.0788974, "Placenta_Crossing_L1000_Similarity": -4.22411, "Placenta_Crossing_Structural_Similarity": 0.497145, "Placenta_Crossing_Weighted_Contribution": -1.25306, "Placenta_Crossing_Top_Rank": -0.0695393, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1C(C(C(C(O1)CO)OC(=O)NC2=CC=C(C=C2)C(F)(F)F)OC(=O)NC3=CC=CC=C3)OC(=O)NC4=CC=CC=C4", "InChI_key": "VTBPZZVSTIPNBO-RXFVIIJJSA-N" } }, "CID:24180719": { "type": "Drug", "properties": { "id": "CID:24180719", "label": "n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide", "lsm": "LSM-1049", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24180719", "FDA_Category_D_L1000_Similarity": 1.48312, "FDA_Category_D_Structural_Similarity": 1.45867, "FDA_Category_D_Weighted_Contribution": 2.31094, "FDA_Category_D_Top_Rank": -0.0121274, "FDA_Category_X_L1000_Similarity": 0.816419, "FDA_Category_X_Structural_Similarity": -0.362317, "FDA_Category_X_Weighted_Contribution": -0.0780681, "FDA_Category_X_Top_Rank": -0.0765076, "FDA_Category_D_and_X_L1000_Similarity": 1.5264, "FDA_Category_D_and_X_Structural_Similarity": 0.962258, "FDA_Category_D_and_X_Weighted_Contribution": 1.72676, "FDA_Category_D_and_X_Top_Rank": -0.0198281, "Placenta_Crossing_L1000_Similarity": 1.72282, "Placenta_Crossing_Structural_Similarity": -0.268604, "Placenta_Crossing_Weighted_Contribution": 0.450022, "Placenta_Crossing_Top_Rank": -0.0122406, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F", "InChI_key": "YZDJQTHVDDOVHR-UHFFFAOYSA-N" } }, "CID:24747194": { "type": "Drug", "properties": { "id": "CID:24747194", "label": "psh-028", "lsm": "LSM-3463", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24747194", "FDA_Category_D_L1000_Similarity": 0.515665, "FDA_Category_D_Structural_Similarity": 0.890614, "FDA_Category_D_Weighted_Contribution": 1.11069, "FDA_Category_D_Top_Rank": -0.0560244, "FDA_Category_X_L1000_Similarity": 1.19911, "FDA_Category_X_Structural_Similarity": -0.369031, "FDA_Category_X_Weighted_Contribution": 0.103563, "FDA_Category_X_Top_Rank": -0.0642388, "FDA_Category_D_and_X_L1000_Similarity": 0.808665, "FDA_Category_D_and_X_Structural_Similarity": 0.507765, "FDA_Category_D_and_X_Weighted_Contribution": 0.815497, "FDA_Category_D_and_X_Top_Rank": -0.073643, "Placenta_Crossing_L1000_Similarity": 0.348642, "Placenta_Crossing_Structural_Similarity": -0.302413, "Placenta_Crossing_Weighted_Contribution": -0.245399, "Placenta_Crossing_Top_Rank": -0.0850837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)C4=C(C=CC(=C4)F)F)C5=CC=CC=C5N2)C", "InChI_key": "GIJJBPWORLUXCK-QGZVFWFLSA-N" } }, "CID:2746": { "type": "Drug", "properties": { "id": "CID:2746", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2746", "label": "tacedinaline", "FDA_Category_D_L1000_Similarity": -1.14738, "FDA_Category_X_L1000_Similarity": -0.157861, "FDA_Category_D_and_X_L1000_Similarity": -1.037, "Placenta_Crossing_L1000_Similarity": -1.13444, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N", "InChI_key": "VAZAPHZUAVEOMC-UHFFFAOYSA-N" } }, "CID:2951172": { "type": "Drug", "properties": { "id": "CID:2951172", "label": "emf-sumo1-6", "lsm": "LSM-4452", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2951172", "FDA_Category_D_L1000_Similarity": 1.17779, "FDA_Category_D_Structural_Similarity": 0.489404, "FDA_Category_D_Weighted_Contribution": 1.09595, "FDA_Category_D_Top_Rank": -0.0509283, "FDA_Category_X_L1000_Similarity": 1.8479, "FDA_Category_X_Structural_Similarity": -0.244108, "FDA_Category_X_Weighted_Contribution": 0.576313, "FDA_Category_X_Top_Rank": -0.013021, "FDA_Category_D_and_X_L1000_Similarity": 1.57644, "FDA_Category_D_and_X_Structural_Similarity": 0.256727, "FDA_Category_D_and_X_Weighted_Contribution": 1.00617, "FDA_Category_D_and_X_Top_Rank": -0.0110265, "Placenta_Crossing_L1000_Similarity": 1.77987, "Placenta_Crossing_Structural_Similarity": -0.929306, "Placenta_Crossing_Weighted_Contribution": -0.158139, "Placenta_Crossing_Top_Rank": -0.003992, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl", "InChI_key": "UMMYLBGDOPRQOH-UHFFFAOYSA-N" } }, "CID:3062316": { "type": "Drug", "properties": { "id": "CID:3062316", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3062316", "label": "dasatinib", "FDA_Category_D_L1000_Similarity": -1.98314, "FDA_Category_D_Structural_Similarity": -0.563249, "FDA_Category_D_Weighted_Contribution": -1.29056, "FDA_Category_D_Top_Rank": -0.0947228, "FDA_Category_X_L1000_Similarity": 2.2604, "FDA_Category_X_Structural_Similarity": -0.0224067, "FDA_Category_X_Weighted_Contribution": 1.05478, "FDA_Category_X_Top_Rank": 0.0662565, "FDA_Category_D_and_X_L1000_Similarity": -1.02305, "FDA_Category_D_and_X_Structural_Similarity": -0.459149, "FDA_Category_D_and_X_Weighted_Contribution": -0.913559, "FDA_Category_D_and_X_Top_Rank": -0.0935821, "Placenta_Crossing_L1000_Similarity": -0.169214, "Placenta_Crossing_Structural_Similarity": -0.162401, "Placenta_Crossing_Weighted_Contribution": -0.349856, "Placenta_Crossing_Top_Rank": -0.0853844, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO", "InChI_key": "ZBNZXTGUTAYRHI-UHFFFAOYSA-N" } }, "CID:4030": { "type": "Drug", "properties": { "id": "CID:4030", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4030", "label": "mebendazole", "ref": "LSM-3749", "FDA_Category_D_L1000_Similarity": 0.126805, "FDA_Category_D_Structural_Similarity": -0.0414729, "FDA_Category_D_Weighted_Contribution": -0.0832993, "FDA_Category_D_Top_Rank": -0.0860818, "FDA_Category_X_L1000_Similarity": -0.228916, "FDA_Category_X_Structural_Similarity": 0.0937146, "FDA_Category_X_Weighted_Contribution": -0.141876, "FDA_Category_X_Top_Rank": -0.0773403, "FDA_Category_D_and_X_L1000_Similarity": 0.0397907, "FDA_Category_D_and_X_Structural_Similarity": 0.0176504, "FDA_Category_D_and_X_Weighted_Contribution": -0.0974802, "FDA_Category_D_and_X_Top_Rank": -0.0859441, "Placenta_Crossing_L1000_Similarity": -0.123064, "Placenta_Crossing_Structural_Similarity": -0.520296, "Placenta_Crossing_Weighted_Contribution": -0.614126, "Placenta_Crossing_Top_Rank": -0.0891375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3", "InChI_key": "OPXLLQIJSORQAM-UHFFFAOYSA-N" } }, "CID:4201": { "type": "Drug", "properties": { "id": "CID:4201", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4201", "label": "minoxidil", "FDA_Category_D_L1000_Similarity": 1.95429, "FDA_Category_D_Structural_Similarity": -0.691859, "FDA_Category_D_Weighted_Contribution": 0.323828, "FDA_Category_D_Top_Rank": 0.162719, "FDA_Category_X_L1000_Similarity": 0.901879, "FDA_Category_X_Structural_Similarity": 0.0966813, "FDA_Category_X_Weighted_Contribution": 0.432911, "FDA_Category_X_Top_Rank": -0.0743379, "FDA_Category_D_and_X_L1000_Similarity": 1.95852, "FDA_Category_D_and_X_Structural_Similarity": -0.496969, "FDA_Category_D_and_X_Weighted_Contribution": 0.441753, "FDA_Category_D_and_X_Top_Rank": 0.0804021, "Placenta_Crossing_L1000_Similarity": 2.49074, "Placenta_Crossing_Structural_Similarity": -0.217153, "Placenta_Crossing_Weighted_Contribution": 0.913816, "Placenta_Crossing_Top_Rank": 0.2777, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O", "InChI_key": "ZIMGGGWCDYVHOY-UHFFFAOYSA-N" } }, "CID:443943": { "type": "Drug", "properties": { "id": "CID:443943", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID443943", "label": "halcinonide", "FDA_Category_D_L1000_Similarity": 0.721583, "FDA_Category_D_Structural_Similarity": 0.114783, "FDA_Category_D_Weighted_Contribution": 0.410371, "FDA_Category_D_Top_Rank": -0.0789532, "FDA_Category_X_L1000_Similarity": -0.210462, "FDA_Category_X_Structural_Similarity": 1.96446, "FDA_Category_X_Weighted_Contribution": 1.90442, "FDA_Category_X_Top_Rank": 0.0375184, "FDA_Category_D_and_X_L1000_Similarity": 0.5581, "FDA_Category_D_and_X_Structural_Similarity": 1.15112, "FDA_Category_D_and_X_Weighted_Contribution": 1.35248, "FDA_Category_D_and_X_Top_Rank": -0.0424752, "Placenta_Crossing_L1000_Similarity": 1.00613, "Placenta_Crossing_Structural_Similarity": 0.223732, "Placenta_Crossing_Weighted_Contribution": 0.583035, "Placenta_Crossing_Top_Rank": -0.0701388, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C", "InChI_key": "MUQNGPZZQDCDFT-JNQJZLCISA-N" } }, "CID:44494782": { "type": "Drug", "properties": { "id": "CID:44494782", "label": "SA-96816", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44494782", "FDA_Category_D_L1000_Similarity": 0.473177, "FDA_Category_D_Structural_Similarity": -0.806241, "FDA_Category_D_Weighted_Contribution": -0.560772, "FDA_Category_D_Top_Rank": -0.0857883, "FDA_Category_X_L1000_Similarity": -0.160975, "FDA_Category_X_Structural_Similarity": 0.155193, "FDA_Category_X_Weighted_Contribution": -0.0506825, "FDA_Category_X_Top_Rank": -0.0750277, "FDA_Category_D_and_X_L1000_Similarity": 0.359001, "FDA_Category_D_and_X_Structural_Similarity": -0.556183, "FDA_Category_D_and_X_Weighted_Contribution": -0.433726, "FDA_Category_D_and_X_Top_Rank": -0.0880943, "Placenta_Crossing_L1000_Similarity": 0.101962, "Placenta_Crossing_Structural_Similarity": -0.885222, "Placenta_Crossing_Weighted_Contribution": -0.79209, "Placenta_Crossing_Top_Rank": -0.0875461, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44504326": { "type": "Drug", "properties": { "id": "CID:44504326", "label": "SA-103013", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44504326", "FDA_Category_D_L1000_Similarity": 0.751733, "FDA_Category_D_Structural_Similarity": 0.858033, "FDA_Category_D_Weighted_Contribution": 1.22634, "FDA_Category_D_Top_Rank": -0.0583394, "FDA_Category_X_L1000_Similarity": 1.35125, "FDA_Category_X_Structural_Similarity": -0.665467, "FDA_Category_X_Weighted_Contribution": -0.112007, "FDA_Category_X_Top_Rank": -0.0560819, "FDA_Category_D_and_X_L1000_Similarity": 1.05836, "FDA_Category_D_and_X_Structural_Similarity": 0.321949, "FDA_Category_D_and_X_Weighted_Contribution": 0.767126, "FDA_Category_D_and_X_Top_Rank": -0.0655392, "Placenta_Crossing_L1000_Similarity": 1.68103, "Placenta_Crossing_Structural_Similarity": 0.054805, "Placenta_Crossing_Weighted_Contribution": 0.765603, "Placenta_Crossing_Top_Rank": -0.017749, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:44589607": { "type": "Drug", "properties": { "id": "CID:44589607", "label": "7b-cis", "lsm": "LSM-6257", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44589607", "FDA_Category_D_L1000_Similarity": -1.87911, "FDA_Category_D_Structural_Similarity": 1.70849, "FDA_Category_D_Weighted_Contribution": 0.483555, "FDA_Category_D_Top_Rank": 0.00708653, "FDA_Category_X_L1000_Similarity": -0.519117, "FDA_Category_X_Structural_Similarity": -0.380509, "FDA_Category_X_Weighted_Contribution": -0.672842, "FDA_Category_X_Top_Rank": -0.0878902, "FDA_Category_D_and_X_L1000_Similarity": -1.77747, "FDA_Category_D_and_X_Structural_Similarity": 1.15073, "FDA_Category_D_and_X_Weighted_Contribution": 0.00710674, "FDA_Category_D_and_X_Top_Rank": -0.042539, "Placenta_Crossing_L1000_Similarity": -2.09576, "Placenta_Crossing_Structural_Similarity": -0.917918, "Placenta_Crossing_Weighted_Contribution": -1.39656, "Placenta_Crossing_Top_Rank": -0.092229, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C=CN1N=C(N=N1)C2=CC(=CC=C2)Cl", "InChI_key": "AICKZRPQDLFSPA-SREVYHEPSA-N" } }, "CID:44603531": { "type": "Drug", "properties": { "id": "CID:44603531", "label": "grazoprevir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44603531", "FDA_Category_D_L1000_Similarity": 0.698369, "FDA_Category_D_Structural_Similarity": -0.189852, "FDA_Category_D_Weighted_Contribution": 0.0926777, "FDA_Category_D_Top_Rank": -0.0795973, "FDA_Category_X_L1000_Similarity": -2.28023, "FDA_Category_X_Structural_Similarity": -0.377661, "FDA_Category_X_Weighted_Contribution": -1.23764, "FDA_Category_X_Top_Rank": -0.0878394, "FDA_Category_D_and_X_L1000_Similarity": -0.0904661, "FDA_Category_D_and_X_Structural_Similarity": -0.354473, "FDA_Category_D_and_X_Weighted_Contribution": -0.473593, "FDA_Category_D_and_X_Top_Rank": -0.0923982, "Placenta_Crossing_L1000_Similarity": -0.233976, "Placenta_Crossing_Structural_Similarity": -0.525637, "Placenta_Crossing_Weighted_Contribution": -0.659457, "Placenta_Crossing_Top_Rank": -0.0897488, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1", "InChI_key": "OBMNJSNZOWALQB-NCQNOWPTSA-N" } }, "CID:446155": { "type": "Drug", "properties": { "id": "CID:446155", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID446155", "label": "fluvastatin", "FDA_Category_D_L1000_Similarity": -2.62898, "FDA_Category_D_Structural_Similarity": 0.859042, "FDA_Category_D_Weighted_Contribution": -0.674617, "FDA_Category_D_Top_Rank": -0.0582343, "FDA_Category_X_L1000_Similarity": 1.68121, "FDA_Category_X_Structural_Similarity": 7.19678, "FDA_Category_X_Weighted_Contribution": 4.64988, "FDA_Category_X_Top_Rank": 2.25821, "FDA_Category_D_and_X_L1000_Similarity": -1.75567, "FDA_Category_D_and_X_Structural_Similarity": 4.56519, "FDA_Category_D_and_X_Weighted_Contribution": 3.24522, "FDA_Category_D_and_X_Top_Rank": 0.960259, "Placenta_Crossing_L1000_Similarity": -2.49699, "Placenta_Crossing_Structural_Similarity": 2.9306, "Placenta_Crossing_Weighted_Contribution": 1.57907, "Placenta_Crossing_Top_Rank": 0.179355, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F", "InChI_key": "FJLGEFLZQAZZCD-MCBHFWOFSA-N" } }, "CID:44631784": { "type": "Drug", "properties": { "id": "CID:44631784", "label": "vu-0410183-2", "lsm": "LSM-3674", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44631784", "FDA_Category_D_L1000_Similarity": -1.65067, "FDA_Category_D_Structural_Similarity": -0.907294, "FDA_Category_D_Weighted_Contribution": -1.35631, "FDA_Category_D_Top_Rank": -0.096813, "FDA_Category_X_L1000_Similarity": -2.26325, "FDA_Category_X_Structural_Similarity": -0.550919, "FDA_Category_X_Weighted_Contribution": -1.3204, "FDA_Category_X_Top_Rank": -0.0904988, "FDA_Category_D_and_X_L1000_Similarity": -2.11021, "FDA_Category_D_and_X_Structural_Similarity": -1.01741, "FDA_Category_D_and_X_Weighted_Contribution": -1.46581, "FDA_Category_D_and_X_Top_Rank": -0.0967499, "Placenta_Crossing_L1000_Similarity": -3.21421, "Placenta_Crossing_Structural_Similarity": -0.502496, "Placenta_Crossing_Weighted_Contribution": -1.45372, "Placenta_Crossing_Top_Rank": -0.0897298, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)CCNC1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=CC=C3", "InChI_key": "VZQQBRATUAQGEU-UHFFFAOYSA-N" } }, "CID:5152": { "type": "Drug", "properties": { "id": "CID:5152", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5152", "label": "salmeterol", "ref": "LSM-1240", "FDA_Category_D_L1000_Similarity": -0.392698, "FDA_Category_D_Structural_Similarity": 0.260815, "FDA_Category_D_Weighted_Contribution": -0.0850748, "FDA_Category_D_Top_Rank": -0.0782621, "FDA_Category_X_L1000_Similarity": 4.77098, "FDA_Category_X_Structural_Similarity": -0.197673, "FDA_Category_X_Weighted_Contribution": 2.26139, "FDA_Category_X_Top_Rank": 13.45, "FDA_Category_D_and_X_L1000_Similarity": 1.11035, "FDA_Category_D_and_X_Structural_Similarity": 0.100349, "FDA_Category_D_and_X_Weighted_Contribution": 0.566407, "FDA_Category_D_and_X_Top_Rank": -0.0619419, "Placenta_Crossing_L1000_Similarity": 0.379959, "Placenta_Crossing_Structural_Similarity": 0.564523, "Placenta_Crossing_Weighted_Contribution": 0.607177, "Placenta_Crossing_Top_Rank": -0.0678031, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O", "InChI_key": "GIIZNNXWQWCKIB-UHFFFAOYSA-N" } }, "CID:5320346": { "type": "Drug", "properties": { "id": "CID:5320346", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5320346", "label": "hydrocortisone", "ref": "LSM-5980", "FDA_Category_D_L1000_Similarity": 0.528302, "FDA_Category_X_L1000_Similarity": 0.227675, "FDA_Category_D_and_X_L1000_Similarity": 0.52454, "Placenta_Crossing_L1000_Similarity": 0.877366, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O", "InChI_key": "JYGXADMDTFJGBT-YDAVOWJHSA-N" } }, "CID:54666570": { "type": "Drug", "properties": { "id": "CID:54666570", "label": "SA-1921456", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/54666570", "FDA_Category_D_L1000_Similarity": -1.95452, "FDA_Category_X_L1000_Similarity": 2.51948, "FDA_Category_D_and_X_L1000_Similarity": -0.919708, "Placenta_Crossing_L1000_Similarity": -2.25967, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5702068": { "type": "Drug", "properties": { "id": "CID:5702068", "label": "hydrocortisone", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702068", "FDA_Category_D_L1000_Similarity": 0.0243688, "FDA_Category_D_Structural_Similarity": -0.220247, "FDA_Category_D_Weighted_Contribution": -0.296398, "FDA_Category_D_Top_Rank": -0.0899247, "FDA_Category_X_L1000_Similarity": 0.399794, "FDA_Category_X_Structural_Similarity": 3.80693, "FDA_Category_X_Weighted_Contribution": 3.74259, "FDA_Category_X_Top_Rank": 0.466537, "FDA_Category_D_and_X_L1000_Similarity": 0.142414, "FDA_Category_D_and_X_Structural_Similarity": 1.87939, "FDA_Category_D_and_X_Weighted_Contribution": 1.87271, "FDA_Category_D_and_X_Top_Rank": 0.0225988, "Placenta_Crossing_L1000_Similarity": 0.585896, "Placenta_Crossing_Structural_Similarity": 2.93258, "Placenta_Crossing_Weighted_Contribution": 3.0337, "Placenta_Crossing_Top_Rank": 0.180786, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O", "InChI_key": "ALEXXDVDDISNDU-KPYZGQEZSA-N" } }, "CID:5702090": { "type": "Drug", "properties": { "id": "CID:5702090", "label": "naloxone", "lsm": "LSM-3504", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702090", "IDG_ID": "1878", "FDA_Category_D_L1000_Similarity": 2.05361, "FDA_Category_D_Structural_Similarity": -0.304391, "FDA_Category_D_Weighted_Contribution": 0.790806, "FDA_Category_D_Top_Rank": 0.236653, "FDA_Category_X_L1000_Similarity": 1.07076, "FDA_Category_X_Structural_Similarity": 1.68069, "FDA_Category_X_Weighted_Contribution": 2.28942, "FDA_Category_X_Top_Rank": 0.00371208, "FDA_Category_D_and_X_L1000_Similarity": 2.09541, "FDA_Category_D_and_X_Structural_Similarity": 0.665293, "FDA_Category_D_and_X_Weighted_Contribution": 1.74965, "FDA_Category_D_and_X_Top_Rank": 0.15215, "Placenta_Crossing_L1000_Similarity": 2.25239, "Placenta_Crossing_Structural_Similarity": 0.889881, "Placenta_Crossing_Weighted_Contribution": 1.96507, "Placenta_Crossing_Top_Rank": 0.131113, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O", "InChI_key": "UZHSEJADLWPNLE-OGLQFSJHSA-N" } }, "CID:6443013": { "type": "Drug", "properties": { "id": "CID:6443013", "label": "(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid", "lsm": "LSM-5921", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6443013", "FDA_Category_D_L1000_Similarity": 1.72977, "FDA_Category_D_Structural_Similarity": 0.35641, "FDA_Category_D_Weighted_Contribution": 1.30418, "FDA_Category_D_Top_Rank": 0.0508192, "FDA_Category_X_L1000_Similarity": 0.605333, "FDA_Category_X_Structural_Similarity": 0.533271, "FDA_Category_X_Weighted_Contribution": 0.747917, "FDA_Category_X_Top_Rank": -0.0604062, "FDA_Category_D_and_X_L1000_Similarity": 1.67492, "FDA_Category_D_and_X_Structural_Similarity": 0.570638, "FDA_Category_D_and_X_Weighted_Contribution": 1.40114, "FDA_Category_D_and_X_Top_Rank": 0.00448191, "Placenta_Crossing_L1000_Similarity": 1.6814, "Placenta_Crossing_Structural_Similarity": 0.989715, "Placenta_Crossing_Weighted_Contribution": 1.76838, "Placenta_Crossing_Top_Rank": -0.0175085, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCC(C=CC=CCCCCCCCC(=O)O)O", "InChI_key": "HNICUWMFWZBIFP-IRQZEAMPSA-N" } }, "CID:668081": { "type": "Drug", "properties": { "id": "CID:668081", "label": "selinidin", "lsm": "LSM-2141", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/668081", "FDA_Category_D_L1000_Similarity": 0.620716, "FDA_Category_D_Structural_Similarity": -0.158422, "FDA_Category_D_Weighted_Contribution": 0.0791378, "FDA_Category_D_Top_Rank": -0.0819966, "FDA_Category_X_L1000_Similarity": -0.0831666, "FDA_Category_X_Structural_Similarity": 2.45837, "FDA_Category_X_Weighted_Contribution": 2.49448, "FDA_Category_X_Top_Rank": 0.106536, "FDA_Category_D_and_X_L1000_Similarity": 0.509811, "FDA_Category_D_and_X_Structural_Similarity": 1.20079, "FDA_Category_D_and_X_Weighted_Contribution": 1.37662, "FDA_Category_D_and_X_Top_Rank": -0.0392449, "Placenta_Crossing_L1000_Similarity": 1.75987, "Placenta_Crossing_Structural_Similarity": -0.360053, "Placenta_Crossing_Weighted_Contribution": 0.376087, "Placenta_Crossing_Top_Rank": -0.0063944, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C", "InChI_key": "RRHCDWLSHIIIIT-NVWZYQMFSA-N" } }, "CID:702558": { "type": "Drug", "properties": { "id": "CID:702558", "label": "rg-108", "lsm": "LSM-6283", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/702558", "FDA_Category_D_L1000_Similarity": 2.77232, "FDA_Category_D_Structural_Similarity": 4.78801, "FDA_Category_D_Weighted_Contribution": 4.30789, "FDA_Category_D_Top_Rank": 1.81099, "FDA_Category_X_L1000_Similarity": 2.95547, "FDA_Category_X_Structural_Similarity": -0.373692, "FDA_Category_X_Weighted_Contribution": 1.05084, "FDA_Category_X_Top_Rank": 0.472479, "FDA_Category_D_and_X_L1000_Similarity": 3.28731, "FDA_Category_D_and_X_Structural_Similarity": 3.59867, "FDA_Category_D_and_X_Weighted_Contribution": 4.02453, "FDA_Category_D_and_X_Top_Rank": 5.1168, "Placenta_Crossing_L1000_Similarity": 2.98687, "Placenta_Crossing_Structural_Similarity": 4.00303, "Placenta_Crossing_Weighted_Contribution": 4.08287, "Placenta_Crossing_Top_Rank": 0.984628, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O", "InChI_key": "HPTXLHAHLXOAKV-INIZCTEOSA-N" } }, "CID:707029": { "type": "Drug", "properties": { "id": "CID:707029", "label": "ex-527", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/707029", "FDA_Category_D_L1000_Similarity": 2.91311, "FDA_Category_D_Structural_Similarity": 1.24676, "FDA_Category_D_Weighted_Contribution": 2.8748, "FDA_Category_D_Top_Rank": 2.91917, "FDA_Category_X_L1000_Similarity": 1.6018, "FDA_Category_X_Structural_Similarity": 2.07107, "FDA_Category_X_Weighted_Contribution": 2.925, "FDA_Category_X_Top_Rank": 0.0485033, "FDA_Category_D_and_X_L1000_Similarity": 2.99759, "FDA_Category_D_and_X_Structural_Similarity": 2.10711, "FDA_Category_D_and_X_Weighted_Contribution": 3.37082, "FDA_Category_D_and_X_Top_Rank": 1.74916, "Placenta_Crossing_L1000_Similarity": 3.19569, "Placenta_Crossing_Structural_Similarity": -0.7696, "Placenta_Crossing_Weighted_Contribution": 0.706289, "Placenta_Crossing_Top_Rank": 1.76884, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N", "InChI_key": "FUZYTVDVLBBXDL-VIFPVBQESA-N" } }, "CID:73707386": { "type": "Drug", "properties": { "id": "CID:73707386", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707386", "label": "prima-1-met", "FDA_Category_D_L1000_Similarity": 1.12496, "FDA_Category_D_Structural_Similarity": -0.852005, "FDA_Category_D_Weighted_Contribution": -0.285406, "FDA_Category_D_Top_Rank": -0.0560244, "FDA_Category_X_L1000_Similarity": 1.09182, "FDA_Category_X_Structural_Similarity": -0.492363, "FDA_Category_X_Weighted_Contribution": -0.0706027, "FDA_Category_X_Top_Rank": -0.0683643, "FDA_Category_D_and_X_L1000_Similarity": 1.3013, "FDA_Category_D_and_X_Structural_Similarity": -0.941925, "FDA_Category_D_and_X_Weighted_Contribution": -0.317028, "FDA_Category_D_and_X_Top_Rank": -0.0469157, "Placenta_Crossing_L1000_Similarity": 2.52075, "Placenta_Crossing_Structural_Similarity": 0.173522, "Placenta_Crossing_Weighted_Contribution": 1.35189, "Placenta_Crossing_Top_Rank": 0.294049, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COCC1(C(=O)C2CCN1CC2)CO", "InChI_key": "BGBNULCRKBVAKL-JTQLQIEISA-N" } }, "CID:9886086": { "type": "Drug", "properties": { "id": "CID:9886086", "label": "ro-28-1675", "lsm": "LSM-6231", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9886086", "FDA_Category_D_L1000_Similarity": 0.233235, "FDA_Category_D_Structural_Similarity": -0.551945, "FDA_Category_D_Weighted_Contribution": -0.470947, "FDA_Category_D_Top_Rank": -0.0897586, "FDA_Category_X_L1000_Similarity": -2.40148, "FDA_Category_X_Structural_Similarity": -0.304312, "FDA_Category_X_Weighted_Contribution": -1.23099, "FDA_Category_X_Top_Rank": -0.0865931, "FDA_Category_D_and_X_L1000_Similarity": -0.528234, "FDA_Category_D_and_X_Structural_Similarity": -0.602291, "FDA_Category_D_and_X_Weighted_Contribution": -0.828446, "FDA_Category_D_and_X_Top_Rank": -0.0948063, "Placenta_Crossing_L1000_Similarity": -0.708576, "Placenta_Crossing_Structural_Similarity": -0.556061, "Placenta_Crossing_Weighted_Contribution": -0.846544, "Placenta_Crossing_Top_Rank": -0.0901969, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=CS3", "InChI_key": "NEQSWPCDHDQINX-MRXNPFEDSA-N" } }, "CID:122173063": { "type": "Drug", "properties": { "id": "CID:122173063", "label": "GSK-J2", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/122173063", "FDA_Category_D_L1000_Similarity": 1.44325, "FDA_Category_D_Structural_Similarity": -0.863717, "FDA_Category_D_Weighted_Contribution": -0.130349, "FDA_Category_D_Top_Rank": -0.0188091, "FDA_Category_X_L1000_Similarity": -0.258235, "FDA_Category_X_Structural_Similarity": -0.21845, "FDA_Category_X_Weighted_Contribution": -0.435568, "FDA_Category_X_Top_Rank": -0.0849186, "FDA_Category_D_and_X_L1000_Similarity": 1.16569, "FDA_Category_D_and_X_Structural_Similarity": -0.803419, "FDA_Category_D_and_X_Weighted_Contribution": -0.264175, "FDA_Category_D_and_X_Top_Rank": -0.0577247, "Placenta_Crossing_L1000_Similarity": 1.20245, "Placenta_Crossing_Structural_Similarity": -0.355582, "Placenta_Crossing_Weighted_Contribution": 0.101782, "Placenta_Crossing_Top_Rank": -0.0615908, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:16129666": { "type": "Drug", "properties": { "id": "CID:16129666", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16129666", "label": "thiostrepton", "FDA_Category_D_L1000_Similarity": -2.59901, "FDA_Category_D_Structural_Similarity": 1.30065, "FDA_Category_D_Weighted_Contribution": -0.309563, "FDA_Category_D_Top_Rank": -0.033863, "FDA_Category_X_L1000_Similarity": -2.64485, "FDA_Category_X_Structural_Similarity": 0.729854, "FDA_Category_X_Weighted_Contribution": -0.63669, "FDA_Category_X_Top_Rank": -0.0526124, "FDA_Category_D_and_X_L1000_Similarity": -3.04358, "FDA_Category_D_and_X_Structural_Similarity": 1.42617, "FDA_Category_D_and_X_Weighted_Contribution": -0.372984, "FDA_Category_D_and_X_Top_Rank": -0.0221722, "Placenta_Crossing_L1000_Similarity": -2.75863, "Placenta_Crossing_Structural_Similarity": 3.05698, "Placenta_Crossing_Weighted_Contribution": 1.5723, "Placenta_Crossing_Top_Rank": 0.209331, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)C(=CC)NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C", "InChI_key": "NSFFHOGKXHRQEW-DVRIZHICSA-N" } }, "CID:16747683": { "type": "Drug", "properties": { "id": "CID:16747683", "label": "azd-5438", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16747683", "FDA_Category_D_L1000_Similarity": 0.540569, "FDA_Category_D_Structural_Similarity": -0.715989, "FDA_Category_D_Weighted_Contribution": -0.45809, "FDA_Category_D_Top_Rank": -0.0842298, "FDA_Category_X_L1000_Similarity": -1.94819, "FDA_Category_X_Structural_Similarity": -0.521417, "FDA_Category_X_Weighted_Contribution": -1.22586, "FDA_Category_X_Top_Rank": -0.0901084, "FDA_Category_D_and_X_L1000_Similarity": -0.125646, "FDA_Category_D_and_X_Structural_Similarity": -0.849645, "FDA_Category_D_and_X_Weighted_Contribution": -0.842519, "FDA_Category_D_and_X_Top_Rank": -0.0931689, "Placenta_Crossing_L1000_Similarity": -0.293417, "Placenta_Crossing_Structural_Similarity": -0.561313, "Placenta_Crossing_Weighted_Contribution": -0.706736, "Placenta_Crossing_Top_Rank": -0.0900122, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C", "InChI_key": "WJRRGYBTGDJBFX-UHFFFAOYSA-N" } }, "CID:17928441": { "type": "Drug", "properties": { "id": "CID:17928441", "label": "ABT-202", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17928441", "FDA_Category_D_L1000_Similarity": 1.00194, "FDA_Category_D_Structural_Similarity": -0.430648, "FDA_Category_D_Weighted_Contribution": 0.0322471, "FDA_Category_D_Top_Rank": -0.0652032, "FDA_Category_X_L1000_Similarity": 0.44487, "FDA_Category_X_Structural_Similarity": -0.74831, "FDA_Category_X_Weighted_Contribution": -0.582883, "FDA_Category_X_Top_Rank": -0.083195, "FDA_Category_D_and_X_L1000_Similarity": 0.998779, "FDA_Category_D_and_X_Structural_Similarity": -0.745596, "FDA_Category_D_and_X_Weighted_Contribution": -0.294528, "FDA_Category_D_and_X_Top_Rank": -0.0692676, "Placenta_Crossing_L1000_Similarity": 0.603588, "Placenta_Crossing_Structural_Similarity": -0.638056, "Placenta_Crossing_Weighted_Contribution": -0.418755, "Placenta_Crossing_Top_Rank": -0.0809375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2157": { "type": "Drug", "properties": { "id": "CID:2157", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2157", "label": "amiodarone", "FDA_Category_D_L1000_Similarity": -2.14891, "FDA_Category_D_Structural_Similarity": -0.152331, "FDA_Category_D_Weighted_Contribution": -1.13526, "FDA_Category_D_Top_Rank": -0.0885903, "FDA_Category_X_L1000_Similarity": 2.68059, "FDA_Category_X_Structural_Similarity": 1.60117, "FDA_Category_X_Weighted_Contribution": 2.98611, "FDA_Category_X_Top_Rank": 0.278371, "FDA_Category_D_and_X_L1000_Similarity": -1.03835, "FDA_Category_D_and_X_Structural_Similarity": 0.743079, "FDA_Category_D_and_X_Weighted_Contribution": 0.0133022, "FDA_Category_D_and_X_Top_Rank": -0.0658309, "Placenta_Crossing_L1000_Similarity": -2.27917, "Placenta_Crossing_Structural_Similarity": -0.690314, "Placenta_Crossing_Weighted_Contribution": -1.34195, "Placenta_Crossing_Top_Rank": -0.0911966, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I", "InChI_key": "IYIKLHRQXLHMJQ-UHFFFAOYSA-N" } }, "CID:24905203": { "type": "Drug", "properties": { "id": "CID:24905203", "label": "pp-110", "lsm": "LSM-6208", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24905203", "FDA_Category_D_L1000_Similarity": -1.82118, "FDA_Category_D_Structural_Similarity": 0.124066, "FDA_Category_D_Weighted_Contribution": -0.856597, "FDA_Category_D_Top_Rank": -0.0819186, "FDA_Category_X_L1000_Similarity": 0.0323837, "FDA_Category_X_Structural_Similarity": -0.601961, "FDA_Category_X_Weighted_Contribution": -0.630514, "FDA_Category_X_Top_Rank": -0.0873831, "FDA_Category_D_and_X_L1000_Similarity": -1.56006, "FDA_Category_D_and_X_Structural_Similarity": -0.226343, "FDA_Category_D_and_X_Weighted_Contribution": -0.954966, "FDA_Category_D_and_X_Top_Rank": -0.0906283, "Placenta_Crossing_L1000_Similarity": -1.04391, "Placenta_Crossing_Structural_Similarity": -0.786742, "Placenta_Crossing_Weighted_Contribution": -1.08656, "Placenta_Crossing_Top_Rank": -0.0916846, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)C=NN4)N", "InChI_key": "ULPBTMCLMXCXEB-UHFFFAOYSA-N" } }, "CID:3038525": { "type": "Drug", "properties": { "id": "CID:3038525", "label": "neflamapimod", "lsm": "LSM-1169", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3038525", "FDA_Category_D_L1000_Similarity": 2.12723, "FDA_Category_D_Structural_Similarity": -0.775165, "FDA_Category_D_Weighted_Contribution": 0.342058, "FDA_Category_D_Top_Rank": 0.319101, "FDA_Category_X_L1000_Similarity": 2.18947, "FDA_Category_X_Structural_Similarity": 0.818423, "FDA_Category_X_Weighted_Contribution": 1.96489, "FDA_Category_X_Top_Rank": 0.0485033, "FDA_Category_D_and_X_L1000_Similarity": 2.49861, "FDA_Category_D_and_X_Structural_Similarity": -0.173641, "FDA_Category_D_and_X_Weighted_Contribution": 1.09874, "FDA_Category_D_and_X_Top_Rank": 0.495065, "Placenta_Crossing_L1000_Similarity": 1.77679, "Placenta_Crossing_Structural_Similarity": -0.520717, "Placenta_Crossing_Weighted_Contribution": 0.22433, "Placenta_Crossing_Top_Rank": -0.00415606, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl", "InChI_key": "VEPKQEUBKLEPRA-UHFFFAOYSA-N" } }, "CID:3114": { "type": "Drug", "properties": { "id": "CID:3114", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3114", "label": "disopyramide", "FDA_Category_D_L1000_Similarity": 1.99337, "FDA_Category_D_Structural_Similarity": -0.921438, "FDA_Category_D_Weighted_Contribution": 0.11859, "FDA_Category_D_Top_Rank": 0.1944, "FDA_Category_X_L1000_Similarity": -1.07521, "FDA_Category_X_Structural_Similarity": -0.744416, "FDA_Category_X_Weighted_Contribution": -1.10679, "FDA_Category_X_Top_Rank": -0.0913813, "FDA_Category_D_and_X_L1000_Similarity": 1.3918, "FDA_Category_D_and_X_Structural_Similarity": -1.13304, "FDA_Category_D_and_X_Weighted_Contribution": -0.432049, "FDA_Category_D_and_X_Top_Rank": -0.0377207, "Placenta_Crossing_L1000_Similarity": 1.0429, "Placenta_Crossing_Structural_Similarity": -1.0781, "Placenta_Crossing_Weighted_Contribution": -0.588886, "Placenta_Crossing_Top_Rank": -0.0688979, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C", "InChI_key": "UVTNFZQICZKOEM-UHFFFAOYSA-N" } }, "CID:3330": { "type": "Drug", "properties": { "id": "CID:3330", "label": "fccp", "lsm": "LSM-2317", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3330", "FDA_Category_D_L1000_Similarity": -2.26711, "FDA_Category_D_Structural_Similarity": -0.462176, "FDA_Category_D_Weighted_Contribution": -1.31989, "FDA_Category_D_Top_Rank": -0.0936822, "FDA_Category_X_L1000_Similarity": -1.72971, "FDA_Category_X_Structural_Similarity": 1.67059, "FDA_Category_X_Weighted_Contribution": 0.713303, "FDA_Category_X_Top_Rank": 0.00352168, "FDA_Category_D_and_X_L1000_Similarity": -2.47957, "FDA_Category_D_and_X_Structural_Similarity": 0.534606, "FDA_Category_D_and_X_Weighted_Contribution": -0.800123, "FDA_Category_D_and_X_Top_Rank": -0.0728547, "Placenta_Crossing_L1000_Similarity": -3.10479, "Placenta_Crossing_Structural_Similarity": -0.623466, "Placenta_Crossing_Weighted_Contribution": -1.47693, "Placenta_Crossing_Top_Rank": -0.0907349, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F", "InChI_key": "BMZRVOVNUMQTIN-UHFFFAOYSA-N" } }, "CID:3903": { "type": "Drug", "properties": { "id": "CID:3903", "label": "leu-enkephalin", "lsm": "LSM-1461", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3903", "FDA_Category_D_L1000_Similarity": 0.624793, "FDA_Category_D_Structural_Similarity": -0.109716, "FDA_Category_D_Weighted_Contribution": 0.128611, "FDA_Category_D_Top_Rank": -0.0819421, "FDA_Category_X_L1000_Similarity": 1.55049, "FDA_Category_X_Structural_Similarity": 0.458424, "FDA_Category_X_Weighted_Contribution": 1.19778, "FDA_Category_X_Top_Rank": -0.0438505, "FDA_Category_D_and_X_L1000_Similarity": 1.00944, "FDA_Category_D_and_X_Structural_Similarity": 0.16028, "FDA_Category_D_and_X_Weighted_Contribution": 0.569879, "FDA_Category_D_and_X_Top_Rank": -0.0685783, "Placenta_Crossing_L1000_Similarity": 1.29947, "Placenta_Crossing_Structural_Similarity": 0.0471676, "Placenta_Crossing_Weighted_Contribution": 0.55417, "Placenta_Crossing_Top_Rank": -0.0555553, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N", "InChI_key": "URLZCHNOLZSCCA-UHFFFAOYSA-N" } }, "CID:3949": { "type": "Drug", "properties": { "id": "CID:3949", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3949", "label": "lomerizine", "FDA_Category_D_L1000_Similarity": 0.573572, "FDA_Category_D_Structural_Similarity": -0.552245, "FDA_Category_D_Weighted_Contribution": -0.30534, "FDA_Category_D_Top_Rank": -0.0833644, "FDA_Category_X_L1000_Similarity": 3.12199, "FDA_Category_X_Structural_Similarity": -0.655459, "FDA_Category_X_Weighted_Contribution": 0.826787, "FDA_Category_X_Top_Rank": 0.79043, "FDA_Category_D_and_X_L1000_Similarity": 1.44253, "FDA_Category_D_and_X_Structural_Similarity": -0.792007, "FDA_Category_D_and_X_Weighted_Contribution": -0.118431, "FDA_Category_D_and_X_Top_Rank": -0.031, "Placenta_Crossing_L1000_Similarity": 1.47154, "Placenta_Crossing_Structural_Similarity": -0.750217, "Placenta_Crossing_Weighted_Contribution": -0.13785, "Placenta_Crossing_Top_Rank": -0.0427329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC", "InChI_key": "JQSAYKKFZOSZGJ-UHFFFAOYSA-N" } }, "CID:4381125": { "type": "Drug", "properties": { "id": "CID:4381125", "label": "k784-3131", "lsm": "LSM-1796", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4381125", "FDA_Category_D_L1000_Similarity": -3.44288, "FDA_Category_D_Structural_Similarity": -0.310636, "FDA_Category_D_Weighted_Contribution": -1.52671, "FDA_Category_D_Top_Rank": -0.0915706, "FDA_Category_X_L1000_Similarity": -2.16484, "FDA_Category_X_Structural_Similarity": -0.480637, "FDA_Category_X_Weighted_Contribution": -1.26104, "FDA_Category_X_Top_Rank": -0.0895319, "FDA_Category_D_and_X_L1000_Similarity": -3.62524, "FDA_Category_D_and_X_Structural_Similarity": -0.505905, "FDA_Category_D_and_X_Weighted_Contribution": -1.57221, "FDA_Category_D_and_X_Top_Rank": -0.094056, "Placenta_Crossing_L1000_Similarity": -3.77162, "Placenta_Crossing_Structural_Similarity": -0.28185, "Placenta_Crossing_Weighted_Contribution": -1.47577, "Placenta_Crossing_Top_Rank": -0.0872165, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl)C", "InChI_key": "ZRDIMGZPSNNFQF-UHFFFAOYSA-N" } }, "CID:44483259": { "type": "Drug", "properties": { "id": "CID:44483259", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44483259", "label": "manumycin-a", "FDA_Category_D_L1000_Similarity": -1.37687, "FDA_Category_D_Structural_Similarity": -0.543568, "FDA_Category_D_Weighted_Contribution": -1.10232, "FDA_Category_D_Top_Rank": -0.0945673, "FDA_Category_X_L1000_Similarity": -2.35691, "FDA_Category_X_Structural_Similarity": 0.922437, "FDA_Category_X_Weighted_Contribution": -0.357027, "FDA_Category_X_Top_Rank": -0.0446228, "FDA_Category_D_and_X_L1000_Similarity": -1.90263, "FDA_Category_D_and_X_Structural_Similarity": 0.0663063, "FDA_Category_D_and_X_Weighted_Contribution": -0.893463, "FDA_Category_D_and_X_Top_Rank": -0.08493, "Placenta_Crossing_L1000_Similarity": -1.92705, "Placenta_Crossing_Structural_Similarity": -0.695429, "Placenta_Crossing_Weighted_Contribution": -1.26567, "Placenta_Crossing_Top_Rank": -0.0912228, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(C)C=C(C)C=C(C)C(=O)NC1=CC(C2C(C1=O)O2)(C=CC=CC=CC(=O)NC3C(=O)CCC3=O)O", "InChI_key": "XIZGHTZLVCHYJN-MVTGTTCWSA-N" } }, "CID:44489854": { "type": "Drug", "properties": { "id": "CID:44489854", "label": "sa-423131", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44489854", "FDA_Category_D_L1000_Similarity": 1.04989, "FDA_Category_X_L1000_Similarity": -0.827749, "FDA_Category_D_and_X_L1000_Similarity": 0.653651, "Placenta_Crossing_L1000_Similarity": 1.38996, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(C)CO)C)CN(C)C(=O)CCCN(C)C", "InChI_key": "YRAOJEGTHQJVGH-VYUAFQCHSA-N" } }, "CID:5280805": { "type": "Drug", "properties": { "id": "CID:5280805", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5280805", "label": "rutin", "FDA_Category_D_L1000_Similarity": 2.82888, "FDA_Category_D_Structural_Similarity": 0.0213786, "FDA_Category_D_Weighted_Contribution": 1.63988, "FDA_Category_D_Top_Rank": 2.10547, "FDA_Category_X_L1000_Similarity": 0.269829, "FDA_Category_X_Structural_Similarity": -0.459795, "FDA_Category_X_Weighted_Contribution": -0.415957, "FDA_Category_X_Top_Rank": -0.0852282, "FDA_Category_D_and_X_L1000_Similarity": 2.52049, "FDA_Category_D_and_X_Structural_Similarity": -0.231135, "FDA_Category_D_and_X_Weighted_Contribution": 1.05035, "FDA_Category_D_and_X_Top_Rank": 0.521069, "Placenta_Crossing_L1000_Similarity": 2.93139, "Placenta_Crossing_Structural_Similarity": -0.0404287, "Placenta_Crossing_Weighted_Contribution": 1.34581, "Placenta_Crossing_Top_Rank": 0.819432, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O", "InChI_key": "IKGXIBQEEMLURG-NVPNHPEKSA-N" } }, "CID:5287953": { "type": "Drug", "properties": { "id": "CID:5287953", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5287953", "label": "tipiracil", "FDA_Category_D_L1000_Similarity": 2.08208, "FDA_Category_D_Structural_Similarity": 0.328895, "FDA_Category_D_Weighted_Contribution": 1.49934, "FDA_Category_D_Top_Rank": 0.258023, "FDA_Category_X_L1000_Similarity": 0.735135, "FDA_Category_X_Structural_Similarity": -0.703468, "FDA_Category_X_Weighted_Contribution": -0.425251, "FDA_Category_X_Top_Rank": -0.0783761, "FDA_Category_D_and_X_L1000_Similarity": 2.01804, "FDA_Category_D_and_X_Structural_Similarity": -0.11854, "FDA_Category_D_and_X_Weighted_Contribution": 0.870174, "FDA_Category_D_and_X_Top_Rank": 0.101293, "Placenta_Crossing_L1000_Similarity": 2.09033, "Placenta_Crossing_Structural_Similarity": 0.0416701, "Placenta_Crossing_Weighted_Contribution": 0.97366, "Placenta_Crossing_Top_Rank": 0.0719498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=N)N(C1)CC2=C(C(=NC(=N2)O)O)Cl", "InChI_key": "QQHMKNYGKVVGCZ-UHFFFAOYSA-N" } }, "CID:5702055": { "type": "Drug", "properties": { "id": "CID:5702055", "label": "flumethasone-pivalate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702055", "FDA_Category_D_L1000_Similarity": 0.0495944, "FDA_Category_D_Structural_Similarity": 0.268959, "FDA_Category_D_Weighted_Contribution": 0.169551, "FDA_Category_D_Top_Rank": -0.0780448, "FDA_Category_X_L1000_Similarity": -0.0618901, "FDA_Category_X_Structural_Similarity": 1.62557, "FDA_Category_X_Weighted_Contribution": 1.60815, "FDA_Category_X_Top_Rank": 0.000569448, "FDA_Category_D_and_X_L1000_Similarity": 0.023963, "FDA_Category_D_and_X_Structural_Similarity": 1.09063, "FDA_Category_D_and_X_Weighted_Contribution": 0.967357, "FDA_Category_D_and_X_Top_Rank": -0.0471343, "Placenta_Crossing_L1000_Similarity": -0.289837, "Placenta_Crossing_Structural_Similarity": 1.50206, "Placenta_Crossing_Weighted_Contribution": 1.24678, "Placenta_Crossing_Top_Rank": -0.0197372, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60823": { "type": "Drug", "properties": { "id": "CID:60823", "label": "atorvastatin", "lsm": "LSM-5771", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60823", "drugcentral_id": "257", "IDG_ID": "257", "FDA_Category_D_L1000_Similarity": -1.10537, "FDA_Category_D_Structural_Similarity": 1.43607, "FDA_Category_D_Weighted_Contribution": 0.673716, "FDA_Category_D_Top_Rank": -0.0237075, "FDA_Category_X_L1000_Similarity": 4.17015, "FDA_Category_X_Structural_Similarity": 7.45919, "FDA_Category_X_Weighted_Contribution": 4.6991, "FDA_Category_X_Top_Rank": 6.67602, "FDA_Category_D_and_X_L1000_Similarity": 0.313556, "FDA_Category_D_and_X_Structural_Similarity": 5.16478, "FDA_Category_D_and_X_Weighted_Contribution": 3.99925, "FDA_Category_D_and_X_Top_Rank": 1.36922, "Placenta_Crossing_L1000_Similarity": -0.985039, "Placenta_Crossing_Structural_Similarity": 3.76611, "Placenta_Crossing_Weighted_Contribution": 3.06056, "Placenta_Crossing_Top_Rank": 0.432534, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4", "InChI_key": "XUKUURHRXDUEBC-KAYWLYCHSA-N" } }, "CID:644215": { "type": "Drug", "properties": { "id": "CID:644215", "label": "cgp-60474", "lsm": "LSM-1025", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/644215", "FDA_Category_D_L1000_Similarity": 0.350797, "FDA_Category_D_Structural_Similarity": -0.411742, "FDA_Category_D_Weighted_Contribution": -0.296693, "FDA_Category_D_Top_Rank": -0.0879842, "FDA_Category_X_L1000_Similarity": -2.102, "FDA_Category_X_Structural_Similarity": -0.408581, "FDA_Category_X_Weighted_Contribution": -1.20673, "FDA_Category_X_Top_Rank": -0.0883425, "FDA_Category_D_and_X_L1000_Similarity": -0.33595, "FDA_Category_D_and_X_Structural_Similarity": -0.547274, "FDA_Category_D_and_X_Weighted_Contribution": -0.718665, "FDA_Category_D_and_X_Top_Rank": -0.0943827, "Placenta_Crossing_L1000_Similarity": -0.713741, "Placenta_Crossing_Structural_Similarity": -0.252232, "Placenta_Crossing_Weighted_Contribution": -0.637502, "Placenta_Crossing_Top_Rank": -0.0867337, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO", "InChI_key": "IYNDTACKOAXKBJ-UHFFFAOYSA-N" } }, "CID:9816959": { "type": "Drug", "properties": { "id": "CID:9816959", "label": "CO-102862", "lsm": "LSM-2180", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9816959", "FDA_Category_D_L1000_Similarity": 1.17404, "FDA_Category_D_Structural_Similarity": -0.920637, "FDA_Category_D_Weighted_Contribution": -0.319706, "FDA_Category_D_Top_Rank": -0.0512115, "FDA_Category_X_L1000_Similarity": 1.98555, "FDA_Category_X_Structural_Similarity": -0.741704, "FDA_Category_X_Weighted_Contribution": 0.124584, "FDA_Category_X_Top_Rank": 0.0080894, "FDA_Category_D_and_X_L1000_Similarity": 1.61502, "FDA_Category_D_and_X_Structural_Similarity": -1.13094, "FDA_Category_D_and_X_Weighted_Contribution": -0.328028, "FDA_Category_D_and_X_Top_Rank": -0.004724, "Placenta_Crossing_L1000_Similarity": 0.734063, "Placenta_Crossing_Structural_Similarity": -1.06998, "Placenta_Crossing_Weighted_Contribution": -0.697794, "Placenta_Crossing_Top_Rank": -0.0780232, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1560402": { "type": "Drug", "properties": { "id": "CID:1560402", "label": "rlm-2-12", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1560402", "FDA_Category_D_L1000_Similarity": 0.557891, "FDA_Category_D_Structural_Similarity": -0.764691, "FDA_Category_D_Weighted_Contribution": -0.489099, "FDA_Category_D_Top_Rank": -0.0837644, "FDA_Category_X_L1000_Similarity": 0.841118, "FDA_Category_X_Structural_Similarity": -0.675175, "FDA_Category_X_Weighted_Contribution": -0.354657, "FDA_Category_X_Top_Rank": -0.0758871, "FDA_Category_D_and_X_L1000_Similarity": 0.736353, "FDA_Category_D_and_X_Structural_Similarity": -0.971267, "FDA_Category_D_and_X_Weighted_Contribution": -0.591009, "FDA_Category_D_and_X_Top_Rank": -0.0800251, "Placenta_Crossing_L1000_Similarity": 1.17999, "Placenta_Crossing_Structural_Similarity": -0.913743, "Placenta_Crossing_Weighted_Contribution": -0.40512, "Placenta_Crossing_Top_Rank": -0.0627025, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C=CCNC1=NC=NC2=C1C=C(C=C2)Br", "InChI_key": "BCPOLXUSCUFDGE-UHFFFAOYSA-N" } }, "CID:163844": { "type": "Drug", "properties": { "id": "CID:163844", "label": "cgs-20625", "lsm": "LSM-3520", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/163844", "FDA_Category_D_L1000_Similarity": 1.25004, "FDA_Category_D_Structural_Similarity": -0.0654021, "FDA_Category_D_Weighted_Contribution": 0.544621, "FDA_Category_D_Top_Rank": -0.0439929, "FDA_Category_X_L1000_Similarity": 1.1917, "FDA_Category_X_Structural_Similarity": -0.515979, "FDA_Category_X_Weighted_Contribution": -0.0451522, "FDA_Category_X_Top_Rank": -0.0645918, "FDA_Category_D_and_X_L1000_Similarity": 1.43945, "FDA_Category_D_and_X_Structural_Similarity": -0.330331, "FDA_Category_D_and_X_Weighted_Contribution": 0.316958, "FDA_Category_D_and_X_Top_Rank": -0.0314491, "Placenta_Crossing_L1000_Similarity": 2.77294, "Placenta_Crossing_Structural_Similarity": -0.143671, "Placenta_Crossing_Weighted_Contribution": 1.14733, "Placenta_Crossing_Top_Rank": 0.54629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COc1ccc(cc1)N2N=C3C4=C(CCCCC4)NC=C3C2=O", "InChI_key": "XRUUVUYJUULCBQ-UHFFFAOYSA-N" } }, "CID:16656685": { "type": "Drug", "properties": { "id": "CID:16656685", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16656685", "label": "danegaptide", "FDA_Category_D_L1000_Similarity": 0.819477, "FDA_Category_D_Structural_Similarity": 6.28694, "FDA_Category_D_Weighted_Contribution": 4.3516, "FDA_Category_D_Top_Rank": 2.19381, "FDA_Category_X_L1000_Similarity": -0.904958, "FDA_Category_X_Structural_Similarity": -0.553707, "FDA_Category_X_Weighted_Contribution": -0.934771, "FDA_Category_X_Top_Rank": -0.0905397, "FDA_Category_D_and_X_L1000_Similarity": 0.431588, "FDA_Category_D_and_X_Structural_Similarity": 4.69125, "FDA_Category_D_and_X_Weighted_Contribution": 3.88091, "FDA_Category_D_and_X_Top_Rank": 1.04532, "Placenta_Crossing_L1000_Similarity": -0.277928, "Placenta_Crossing_Structural_Similarity": 3.61559, "Placenta_Crossing_Weighted_Contribution": 3.20644, "Placenta_Crossing_Top_Rank": 0.389491, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C(CN(C1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2", "InChI_key": "BIZKIHUJGMSVFD-MNOVXSKESA-N" } }, "CID:1889993": { "type": "Drug", "properties": { "id": "CID:1889993", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1889993", "label": "fatostatin", "FDA_Category_D_L1000_Similarity": 1.05174, "FDA_Category_D_Structural_Similarity": -0.598739, "FDA_Category_D_Weighted_Contribution": -0.0976944, "FDA_Category_D_Top_Rank": -0.0622897, "FDA_Category_X_L1000_Similarity": 0.768919, "FDA_Category_X_Structural_Similarity": -0.641253, "FDA_Category_X_Weighted_Contribution": -0.356597, "FDA_Category_X_Top_Rank": -0.0777177, "FDA_Category_D_and_X_L1000_Similarity": 1.14012, "FDA_Category_D_and_X_Structural_Similarity": -0.821245, "FDA_Category_D_and_X_Weighted_Contribution": -0.2915, "FDA_Category_D_and_X_Top_Rank": -0.0600008, "Placenta_Crossing_L1000_Similarity": 2.08671, "Placenta_Crossing_Structural_Similarity": -0.559373, "Placenta_Crossing_Weighted_Contribution": 0.342288, "Placenta_Crossing_Top_Rank": 0.0708856, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C", "InChI_key": "ZROSUBKIGBSZCG-UHFFFAOYSA-N" } }, "CID:2310": { "type": "Drug", "properties": { "id": "CID:2310", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2310", "label": "bemegride", "FDA_Category_D_L1000_Similarity": 0.279323, "FDA_Category_D_Structural_Similarity": -0.691403, "FDA_Category_D_Weighted_Contribution": -0.559751, "FDA_Category_D_Top_Rank": -0.0891429, "FDA_Category_X_L1000_Similarity": 0.807043, "FDA_Category_X_Structural_Similarity": -0.176163, "FDA_Category_X_Weighted_Contribution": 0.100224, "FDA_Category_X_Top_Rank": -0.0767594, "FDA_Category_D_and_X_L1000_Similarity": 0.485867, "FDA_Category_D_and_X_Structural_Similarity": -0.643833, "FDA_Category_D_and_X_Weighted_Contribution": -0.446918, "FDA_Category_D_and_X_Top_Rank": -0.0859237, "Placenta_Crossing_L1000_Similarity": 0.94554, "Placenta_Crossing_Structural_Similarity": -0.829377, "Placenta_Crossing_Weighted_Contribution": -0.433219, "Placenta_Crossing_Top_Rank": -0.0723434, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1(CC(=O)NC(=O)C1)C", "InChI_key": "ORRZGUBHBVWWOP-UHFFFAOYSA-N" } }, "CID:23891056": { "type": "Drug", "properties": { "id": "CID:23891056", "label": "i-606051", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/23891056", "FDA_Category_D_L1000_Similarity": -3.18266, "FDA_Category_D_Structural_Similarity": -0.0108508, "FDA_Category_D_Weighted_Contribution": -1.35659, "FDA_Category_D_Top_Rank": -0.0854356, "FDA_Category_X_L1000_Similarity": -2.63179, "FDA_Category_X_Structural_Similarity": 0.302542, "FDA_Category_X_Weighted_Contribution": -0.93997, "FDA_Category_X_Top_Rank": -0.0697656, "FDA_Category_D_and_X_L1000_Similarity": -3.54272, "FDA_Category_D_and_X_Structural_Similarity": 0.154638, "FDA_Category_D_and_X_Weighted_Contribution": -1.32482, "FDA_Category_D_and_X_Top_Rank": -0.0827324, "Placenta_Crossing_L1000_Similarity": -3.78096, "Placenta_Crossing_Structural_Similarity": 0.324826, "Placenta_Crossing_Weighted_Contribution": -1.22829, "Placenta_Crossing_Top_Rank": -0.0744724, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=CC(=CC=C1)NC(=O)OC2C(OC(C(C2OC(=O)NC3=CC=CC=C3C4=CC=CC=C4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6)OC)CO", "InChI_key": "GJUVCFPEPSJMQQ-QGVRFUEOSA-N" } }, "CID:265237": { "type": "Drug", "properties": { "id": "CID:265237", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID265237", "label": "withaferin-a", "FDA_Category_D_L1000_Similarity": -1.32869, "FDA_Category_D_Structural_Similarity": -0.0545705, "FDA_Category_D_Weighted_Contribution": -0.782673, "FDA_Category_D_Top_Rank": -0.0864484, "FDA_Category_X_L1000_Similarity": -1.61898, "FDA_Category_X_Structural_Similarity": 2.15314, "FDA_Category_X_Weighted_Contribution": 1.32184, "FDA_Category_X_Top_Rank": 0.0609592, "FDA_Category_D_and_X_L1000_Similarity": -1.63701, "FDA_Category_D_and_X_Structural_Similarity": 1.11851, "FDA_Category_D_and_X_Weighted_Contribution": 0.0504942, "FDA_Category_D_and_X_Top_Rank": -0.0446317, "Placenta_Crossing_L1000_Similarity": -1.95614, "Placenta_Crossing_Structural_Similarity": -0.270185, "Placenta_Crossing_Weighted_Contribution": -1.05682, "Placenta_Crossing_Top_Rank": -0.0870217, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO", "InChI_key": "DBRXOUCRJQVYJQ-CKNDUULBSA-N" } }, "CID:3690": { "type": "Drug", "properties": { "id": "CID:3690", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3690", "label": "ifosfamide", "ref": "LSM-5118", "FDA_Category_D_L1000_Similarity": 0.504975, "FDA_Category_D_Structural_Similarity": 4.25323, "FDA_Category_D_Weighted_Contribution": 3.83989, "FDA_Category_D_Top_Rank": 0.683494, "FDA_Category_X_L1000_Similarity": -0.689733, "FDA_Category_X_Structural_Similarity": -0.743356, "FDA_Category_X_Weighted_Contribution": -0.988089, "FDA_Category_X_Top_Rank": -0.0906171, "FDA_Category_D_and_X_L1000_Similarity": 0.225836, "FDA_Category_D_and_X_Structural_Similarity": 2.97473, "FDA_Category_D_and_X_Weighted_Contribution": 2.90883, "FDA_Category_D_and_X_Top_Rank": 0.199159, "Placenta_Crossing_L1000_Similarity": 0.396695, "Placenta_Crossing_Structural_Similarity": 2.23155, "Placenta_Crossing_Weighted_Contribution": 2.35961, "Placenta_Crossing_Top_Rank": 0.055941, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1CN(P(=O)(OC1)NCCCl)CCCl", "InChI_key": "HOMGKSMUEGBAAB-UHFFFAOYSA-N" } }, "CID:409805": { "type": "Drug", "properties": { "id": "CID:409805", "label": "nsc-23766", "lsm": "LSM-1818", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/409805", "FDA_Category_D_L1000_Similarity": 1.35328, "FDA_Category_D_Structural_Similarity": -0.0423795, "FDA_Category_D_Weighted_Contribution": 0.632614, "FDA_Category_D_Top_Rank": -0.031352, "FDA_Category_X_L1000_Similarity": 0.765479, "FDA_Category_X_Structural_Similarity": 0.103748, "FDA_Category_X_Weighted_Contribution": 0.367766, "FDA_Category_X_Top_Rank": -0.0770053, "FDA_Category_D_and_X_L1000_Similarity": 1.39901, "FDA_Category_D_and_X_Structural_Similarity": 0.0223447, "FDA_Category_D_and_X_Weighted_Contribution": 0.653299, "FDA_Category_D_and_X_Top_Rank": -0.036969, "Placenta_Crossing_L1000_Similarity": 2.41757, "Placenta_Crossing_Structural_Similarity": 3.01601, "Placenta_Crossing_Weighted_Contribution": 3.64424, "Placenta_Crossing_Top_Rank": 0.218327, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C", "InChI_key": "DEFBCZWQLILOJF-UHFFFAOYSA-N" } }, "CID:443955": { "type": "Drug", "properties": { "id": "CID:443955", "label": "vinpocetine", "lsm": "LSM-3178", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/443955", "IDG_ID": "2828", "FDA_Category_D_L1000_Similarity": 1.30954, "FDA_Category_D_Structural_Similarity": 1.24072, "FDA_Category_D_Weighted_Contribution": 1.98892, "FDA_Category_D_Top_Rank": -0.036592, "FDA_Category_X_L1000_Similarity": -0.109299, "FDA_Category_X_Structural_Similarity": -0.174321, "FDA_Category_X_Weighted_Contribution": -0.332353, "FDA_Category_X_Top_Rank": -0.0840158, "FDA_Category_D_and_X_L1000_Similarity": 1.09564, "FDA_Category_D_and_X_Structural_Similarity": 0.890715, "FDA_Category_D_and_X_Weighted_Contribution": 1.39618, "FDA_Category_D_and_X_Top_Rank": -0.0586703, "Placenta_Crossing_L1000_Similarity": 0.961948, "Placenta_Crossing_Structural_Similarity": 0.884588, "Placenta_Crossing_Weighted_Contribution": 1.26577, "Placenta_Crossing_Top_Rank": -0.0560231, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC", "InChI_key": "DDNCQMVWWZOMLN-IRLDBZIGSA-N" } }, "CID:44500663": { "type": "Drug", "properties": { "id": "CID:44500663", "label": "SA-89763", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44500663", "FDA_Category_D_L1000_Similarity": 1.28115, "FDA_Category_D_Structural_Similarity": 0.485979, "FDA_Category_D_Weighted_Contribution": 1.15842, "FDA_Category_D_Top_Rank": -0.0393984, "FDA_Category_X_L1000_Similarity": 0.920868, "FDA_Category_X_Structural_Similarity": 0.216945, "FDA_Category_X_Weighted_Contribution": 0.573212, "FDA_Category_X_Top_Rank": -0.0727322, "FDA_Category_D_and_X_L1000_Similarity": 1.38403, "FDA_Category_D_and_X_Structural_Similarity": 0.502791, "FDA_Category_D_and_X_Weighted_Contribution": 1.15404, "FDA_Category_D_and_X_Top_Rank": -0.0388167, "Placenta_Crossing_L1000_Similarity": 1.34361, "Placenta_Crossing_Structural_Similarity": 0.0982892, "Placenta_Crossing_Weighted_Contribution": 0.630865, "Placenta_Crossing_Top_Rank": -0.0527855, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:4477": { "type": "Drug", "properties": { "id": "CID:4477", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4477", "label": "niclosamide", "FDA_Category_D_L1000_Similarity": -3.53461, "FDA_Category_D_Structural_Similarity": 1.0123, "FDA_Category_D_Weighted_Contribution": -0.930558, "FDA_Category_D_Top_Rank": -0.0501088, "FDA_Category_X_L1000_Similarity": -1.03867, "FDA_Category_X_Structural_Similarity": -0.141981, "FDA_Category_X_Weighted_Contribution": -0.689264, "FDA_Category_X_Top_Rank": -0.0832151, "FDA_Category_D_and_X_L1000_Similarity": -3.36232, "FDA_Category_D_and_X_Structural_Similarity": 0.726867, "FDA_Category_D_and_X_Weighted_Contribution": -0.988665, "FDA_Category_D_and_X_Top_Rank": -0.0664709, "Placenta_Crossing_L1000_Similarity": -3.2143, "Placenta_Crossing_Structural_Similarity": 1.19969, "Placenta_Crossing_Weighted_Contribution": -0.497984, "Placenta_Crossing_Top_Rank": -0.0397879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O", "InChI_key": "RJMUSRYZPJIFPJ-UHFFFAOYSA-N" } }, "CID:46742353": { "type": "Drug", "properties": { "id": "CID:46742353", "label": "vu-0418946-1", "lsm": "LSM-2978", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46742353", "FDA_Category_D_L1000_Similarity": -1.83777, "FDA_Category_D_Structural_Similarity": -0.89051, "FDA_Category_D_Weighted_Contribution": -1.39466, "FDA_Category_D_Top_Rank": -0.0968885, "FDA_Category_X_L1000_Similarity": -1.74145, "FDA_Category_X_Structural_Similarity": -0.54795, "FDA_Category_X_Weighted_Contribution": -1.18442, "FDA_Category_X_Top_Rank": -0.0904533, "FDA_Category_D_and_X_L1000_Similarity": -2.11303, "FDA_Category_D_and_X_Structural_Similarity": -1.00248, "FDA_Category_D_and_X_Weighted_Contribution": -1.46118, "FDA_Category_D_and_X_Top_Rank": -0.0967062, "Placenta_Crossing_L1000_Similarity": -3.15349, "Placenta_Crossing_Structural_Similarity": -0.960525, "Placenta_Crossing_Weighted_Contribution": -1.59109, "Placenta_Crossing_Top_Rank": -0.0923494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5", "InChI_key": "QNRODODTMXCRKU-UHFFFAOYSA-N" } }, "CID:4926": { "type": "Drug", "properties": { "id": "CID:4926", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4926", "label": "promazine", "FDA_Category_D_L1000_Similarity": -1.87381, "FDA_Category_D_Structural_Similarity": -0.560443, "FDA_Category_D_Weighted_Contribution": -1.25948, "FDA_Category_D_Top_Rank": -0.0946981, "FDA_Category_X_L1000_Similarity": 3.55491, "FDA_Category_X_Structural_Similarity": -0.42175, "FDA_Category_X_Weighted_Contribution": 1.33799, "FDA_Category_X_Top_Rank": 2.25821, "FDA_Category_D_and_X_L1000_Similarity": -0.535693, "FDA_Category_D_and_X_Structural_Similarity": -0.672406, "FDA_Category_D_and_X_Weighted_Contribution": -0.876152, "FDA_Category_D_and_X_Top_Rank": -0.0952054, "Placenta_Crossing_L1000_Similarity": -0.701082, "Placenta_Crossing_Structural_Similarity": 1.39481, "Placenta_Crossing_Weighted_Contribution": 0.906022, "Placenta_Crossing_Top_Rank": -0.027266, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31", "InChI_key": "ZGUGWUXLJSTTMA-UHFFFAOYSA-N" } }, "CID:5284627": { "type": "Drug", "properties": { "id": "CID:5284627", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284627", "label": "topiramate", "FDA_Category_D_L1000_Similarity": 2.50689, "FDA_Category_D_Structural_Similarity": -0.815881, "FDA_Category_D_Weighted_Contribution": 0.529446, "FDA_Category_D_Top_Rank": 0.940935, "FDA_Category_X_L1000_Similarity": -0.762835, "FDA_Category_X_Structural_Similarity": 1.77523, "FDA_Category_X_Weighted_Contribution": 1.37948, "FDA_Category_X_Top_Rank": 0.0135447, "FDA_Category_D_and_X_L1000_Similarity": 1.92932, "FDA_Category_D_and_X_Structural_Similarity": 0.310331, "FDA_Category_D_and_X_Weighted_Contribution": 1.27532, "FDA_Category_D_and_X_Top_Rank": 0.0663325, "Placenta_Crossing_L1000_Similarity": 1.63453, "Placenta_Crossing_Structural_Similarity": -0.240781, "Placenta_Crossing_Weighted_Contribution": 0.432682, "Placenta_Crossing_Top_Rank": -0.0247557, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C", "InChI_key": "KJADKKWYZYXHBB-XBWDGYHZSA-N" } }, "CID:5311309": { "type": "Drug", "properties": { "id": "CID:5311309", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311309", "label": "nateglinide", "FDA_Category_D_L1000_Similarity": 0.0205367, "FDA_Category_D_Structural_Similarity": -0.565776, "FDA_Category_D_Weighted_Contribution": -0.579714, "FDA_Category_D_Top_Rank": -0.0920202, "FDA_Category_X_L1000_Similarity": -0.394358, "FDA_Category_X_Structural_Similarity": -0.0759756, "FDA_Category_X_Weighted_Contribution": -0.371351, "FDA_Category_X_Top_Rank": -0.0816236, "FDA_Category_D_and_X_L1000_Similarity": -0.10205, "FDA_Category_D_and_X_Structural_Similarity": -0.49006, "FDA_Category_D_and_X_Weighted_Contribution": -0.582629, "FDA_Category_D_and_X_Top_Rank": -0.0929961, "Placenta_Crossing_L1000_Similarity": 1.074, "Placenta_Crossing_Structural_Similarity": -0.529581, "Placenta_Crossing_Weighted_Contribution": -0.12078, "Placenta_Crossing_Top_Rank": -0.0674902, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc2ccccc2)C(O)=O", "InChI_key": "OELFLUMRDSZNSF-ULQDDVLXSA-N" } }, "CID:5702051": { "type": "Drug", "properties": { "id": "CID:5702051", "label": "estradiol-cypionate", "lsm": "LSM-1899", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702051", "FDA_Category_D_L1000_Similarity": 2.4979, "FDA_Category_D_Structural_Similarity": 0.860909, "FDA_Category_D_Weighted_Contribution": 2.3075, "FDA_Category_D_Top_Rank": 0.922291, "FDA_Category_X_L1000_Similarity": 1.32165, "FDA_Category_X_Structural_Similarity": 5.28794, "FDA_Category_X_Weighted_Contribution": 4.42542, "FDA_Category_X_Top_Rank": 1.19232, "FDA_Category_D_and_X_L1000_Similarity": 2.55458, "FDA_Category_D_and_X_Structural_Similarity": 3.53666, "FDA_Category_D_and_X_Weighted_Contribution": 3.89234, "FDA_Category_D_and_X_Top_Rank": 0.572467, "Placenta_Crossing_L1000_Similarity": 3.57323, "Placenta_Crossing_Structural_Similarity": 1.71134, "Placenta_Crossing_Weighted_Contribution": 3.23935, "Placenta_Crossing_Top_Rank": 4.41398, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O", "InChI_key": "UOACKFBJUYNSLK-OCTSOESTSA-N" } }, "CID:5730": { "type": "Drug", "properties": { "id": "CID:5730", "label": "zm-336372", "lsm": "LSM-6268", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5730", "FDA_Category_D_L1000_Similarity": 1.65118, "FDA_Category_D_Structural_Similarity": -0.41991, "FDA_Category_D_Weighted_Contribution": 0.420317, "FDA_Category_D_Top_Rank": 0.0282726, "FDA_Category_X_L1000_Similarity": 0.0570459, "FDA_Category_X_Structural_Similarity": 0.172357, "FDA_Category_X_Weighted_Contribution": 0.0734114, "FDA_Category_X_Top_Rank": -0.0743173, "FDA_Category_D_and_X_L1000_Similarity": 1.44067, "FDA_Category_D_and_X_Structural_Similarity": -0.240285, "FDA_Category_D_and_X_Weighted_Contribution": 0.407769, "FDA_Category_D_and_X_Top_Rank": -0.0312701, "Placenta_Crossing_L1000_Similarity": 0.126916, "Placenta_Crossing_Structural_Similarity": 0.00367366, "Placenta_Crossing_Weighted_Contribution": -0.0728005, "Placenta_Crossing_Top_Rank": -0.082287, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O", "InChI_key": "PYEFPDQFAZNXLI-UHFFFAOYSA-N" } }, "CID:57339144": { "type": "Drug", "properties": { "id": "CID:57339144", "label": "UNC-1215", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/57339144", "FDA_Category_D_L1000_Similarity": 1.66221, "FDA_Category_D_Structural_Similarity": 0.281425, "FDA_Category_D_Weighted_Contribution": 1.17877, "FDA_Category_D_Top_Rank": 0.03135, "FDA_Category_X_L1000_Similarity": 2.4108, "FDA_Category_X_Structural_Similarity": -0.195543, "FDA_Category_X_Weighted_Contribution": 0.943872, "FDA_Category_X_Top_Rank": 0.118806, "FDA_Category_D_and_X_L1000_Similarity": 2.16497, "FDA_Category_D_and_X_Structural_Similarity": 0.117857, "FDA_Category_D_and_X_Weighted_Contribution": 1.21066, "FDA_Category_D_and_X_Top_Rank": 0.186948, "Placenta_Crossing_L1000_Similarity": 1.86207, "Placenta_Crossing_Structural_Similarity": -0.332111, "Placenta_Crossing_Weighted_Contribution": 0.457327, "Placenta_Crossing_Top_Rank": 0.0121795, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:60700": { "type": "Drug", "properties": { "id": "CID:60700", "label": "topotecan", "lsm": "LSM-5662", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60700", "IDG_ID": "2707", "FDA_Category_D_L1000_Similarity": 1.46628, "FDA_Category_D_Structural_Similarity": 4.81403, "FDA_Category_D_Weighted_Contribution": 4.17972, "FDA_Category_D_Top_Rank": 1.06878, "FDA_Category_X_L1000_Similarity": -3.25601, "FDA_Category_X_Structural_Similarity": -0.443564, "FDA_Category_X_Weighted_Contribution": -1.49039, "FDA_Category_X_Top_Rank": -0.0889547, "FDA_Category_D_and_X_L1000_Similarity": 0.275168, "FDA_Category_D_and_X_Structural_Similarity": 3.58162, "FDA_Category_D_and_X_Weighted_Contribution": 3.34049, "FDA_Category_D_and_X_Top_Rank": 0.454416, "Placenta_Crossing_L1000_Similarity": -1.60555, "Placenta_Crossing_Structural_Similarity": 1.44779, "Placenta_Crossing_Weighted_Contribution": 0.478626, "Placenta_Crossing_Top_Rank": -0.0242525, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O", "InChI_key": "UCFGDBYHRUNTLO-QHCPKHFHSA-N" } }, "CID:67946": { "type": "Drug", "properties": { "id": "CID:67946", "label": "fluoropyruvate", "lsm": "LSM-6203", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67946", "FDA_Category_D_L1000_Similarity": 1.88797, "FDA_Category_D_Structural_Similarity": 0.973692, "FDA_Category_D_Weighted_Contribution": 2.06278, "FDA_Category_D_Top_Rank": 0.111136, "FDA_Category_X_L1000_Similarity": 3.48802, "FDA_Category_X_Structural_Similarity": -0.422499, "FDA_Category_X_Weighted_Contribution": 1.29893, "FDA_Category_X_Top_Rank": 1.77072, "FDA_Category_D_and_X_L1000_Similarity": 2.68671, "FDA_Category_D_and_X_Structural_Similarity": 0.544854, "FDA_Category_D_and_X_Weighted_Contribution": 1.96593, "FDA_Category_D_and_X_Top_Rank": 0.808359, "Placenta_Crossing_L1000_Similarity": 3.39223, "Placenta_Crossing_Structural_Similarity": 0.401151, "Placenta_Crossing_Weighted_Contribution": 2.05591, "Placenta_Crossing_Top_Rank": 3.08683, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(C(=O)C(=O)O)F", "InChI_key": "CXABZTLXNODUTD-UHFFFAOYSA-N" } }, "CID:73707525": { "type": "Drug", "properties": { "id": "CID:73707525", "label": "COL-3", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/73707525", "FDA_Category_D_L1000_Similarity": -1.89351, "FDA_Category_D_Structural_Similarity": 1.89282, "FDA_Category_D_Weighted_Contribution": 0.668633, "FDA_Category_D_Top_Rank": 0.0323015, "FDA_Category_X_L1000_Similarity": -3.90702, "FDA_Category_X_Structural_Similarity": 0.161177, "FDA_Category_X_Weighted_Contribution": -1.37216, "FDA_Category_X_Top_Rank": -0.0747626, "FDA_Category_D_and_X_L1000_Similarity": -2.81873, "FDA_Category_D_and_X_Structural_Similarity": 1.58933, "FDA_Category_D_and_X_Weighted_Contribution": -0.125042, "FDA_Category_D_and_X_Top_Rank": -0.00686495, "Placenta_Crossing_L1000_Similarity": -3.54054, "Placenta_Crossing_Structural_Similarity": 0.0588174, "Placenta_Crossing_Weighted_Contribution": -1.29472, "Placenta_Crossing_Top_Rank": -0.0809876, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:8969": { "type": "Drug", "properties": { "id": "CID:8969", "label": "yohimbine", "lsm": "LSM-1877", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/8969", "IDG_ID": "3659", "FDA_Category_D_L1000_Similarity": 1.73034, "FDA_Category_X_L1000_Similarity": 0.351731, "FDA_Category_D_and_X_L1000_Similarity": 1.5984, "Placenta_Crossing_L1000_Similarity": 0.865123, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O", "InChI_key": "BLGXFZZNTVWLAY-SCYLSFHTSA-N" } }, "CID:9796068": { "type": "Drug", "properties": { "id": "CID:9796068", "label": "iniparib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9796068", "FDA_Category_D_L1000_Similarity": 1.33789, "FDA_Category_D_Structural_Similarity": 0.107475, "FDA_Category_D_Weighted_Contribution": 0.783007, "FDA_Category_D_Top_Rank": -0.033358, "FDA_Category_X_L1000_Similarity": 0.569261, "FDA_Category_X_Structural_Similarity": -0.657581, "FDA_Category_X_Weighted_Contribution": -0.456846, "FDA_Category_X_Top_Rank": -0.0814494, "FDA_Category_D_and_X_L1000_Similarity": 1.32614, "FDA_Category_D_and_X_Structural_Similarity": -0.269524, "FDA_Category_D_and_X_Weighted_Contribution": 0.314268, "FDA_Category_D_and_X_Top_Rank": -0.0444529, "Placenta_Crossing_L1000_Similarity": 1.70508, "Placenta_Crossing_Structural_Similarity": -0.668578, "Placenta_Crossing_Weighted_Contribution": 0.0466024, "Placenta_Crossing_Top_Rank": -0.014506, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I", "InChI_key": "MDOJTZQKHMAPBK-UHFFFAOYSA-N" } }, "CID:99253": { "type": "Drug", "properties": { "id": "CID:99253", "label": "sal-1", "lsm": "LSM-2889", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/99253", "FDA_Category_D_L1000_Similarity": 1.1862, "FDA_Category_D_Structural_Similarity": 0.101667, "FDA_Category_D_Weighted_Contribution": 0.681707, "FDA_Category_D_Top_Rank": -0.0501578, "FDA_Category_X_L1000_Similarity": -0.134787, "FDA_Category_X_Structural_Similarity": 0.804316, "FDA_Category_X_Weighted_Contribution": 0.638, "FDA_Category_X_Top_Rank": -0.0498334, "FDA_Category_D_and_X_L1000_Similarity": 0.981585, "FDA_Category_D_and_X_Structural_Similarity": 0.5147, "FDA_Category_D_and_X_Weighted_Contribution": 0.925686, "FDA_Category_D_and_X_Top_Rank": -0.0702138, "Placenta_Crossing_L1000_Similarity": 0.49768, "Placenta_Crossing_Structural_Similarity": -0.890603, "Placenta_Crossing_Weighted_Contribution": -0.654937, "Placenta_Crossing_Top_Rank": -0.0830171, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)NC3=NC(=O)NC(=O)C3=N2", "InChI_key": "HAUGRYOERYOXHX-UHFFFAOYSA-N" } }, "CID:10748": { "type": "Drug", "properties": { "id": "CID:10748", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10748", "label": "herniarin", "FDA_Category_D_L1000_Similarity": 1.29099, "FDA_Category_D_Structural_Similarity": 0.86679, "FDA_Category_D_Weighted_Contribution": 1.58032, "FDA_Category_D_Top_Rank": -0.0383194, "FDA_Category_X_L1000_Similarity": 0.0934175, "FDA_Category_X_Structural_Similarity": 1.2514, "FDA_Category_X_Weighted_Contribution": 1.27064, "FDA_Category_X_Top_Rank": -0.024729, "FDA_Category_D_and_X_L1000_Similarity": 1.14122, "FDA_Category_D_and_X_Structural_Similarity": 1.36323, "FDA_Category_D_and_X_Weighted_Contribution": 1.91733, "FDA_Category_D_and_X_Top_Rank": -0.0259715, "Placenta_Crossing_L1000_Similarity": 1.70863, "Placenta_Crossing_Structural_Similarity": 1.21098, "Placenta_Crossing_Weighted_Contribution": 2.01115, "Placenta_Crossing_Top_Rank": -0.0142457, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=C(C=C1)C=CC(=O)O2", "InChI_key": "LIIALPBMIOVAHH-UHFFFAOYSA-N" } }, "CID:11595431": { "type": "Drug", "properties": { "id": "CID:11595431", "label": "gw-9508", "lsm": "LSM-3604", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11595431", "FDA_Category_D_L1000_Similarity": 1.27905, "FDA_Category_D_Structural_Similarity": -0.0940641, "FDA_Category_D_Weighted_Contribution": 0.532392, "FDA_Category_D_Top_Rank": -0.039785, "FDA_Category_X_L1000_Similarity": -0.277886, "FDA_Category_X_Structural_Similarity": -0.197163, "FDA_Category_X_Weighted_Contribution": -0.425778, "FDA_Category_X_Top_Rank": -0.0845208, "FDA_Category_D_and_X_L1000_Similarity": 1.01818, "FDA_Category_D_and_X_Structural_Similarity": -0.181048, "FDA_Category_D_and_X_Weighted_Contribution": 0.231383, "FDA_Category_D_and_X_Top_Rank": -0.0679891, "Placenta_Crossing_L1000_Similarity": 1.22935, "Placenta_Crossing_Structural_Similarity": 0.0293903, "Placenta_Crossing_Weighted_Contribution": 0.498972, "Placenta_Crossing_Top_Rank": -0.0603809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O", "InChI_key": "DGENZVKCTGIDRZ-UHFFFAOYSA-N" } }, "CID:119828": { "type": "Drug", "properties": { "id": "CID:119828", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID119828", "label": "parecoxib", "FDA_Category_D_L1000_Similarity": -0.775464, "FDA_Category_D_Structural_Similarity": -0.842957, "FDA_Category_D_Weighted_Contribution": -1.07297, "FDA_Category_D_Top_Rank": -0.0959176, "FDA_Category_X_L1000_Similarity": 1.1576, "FDA_Category_X_Structural_Similarity": 0.276628, "FDA_Category_X_Weighted_Contribution": 0.769879, "FDA_Category_X_Top_Rank": -0.0660836, "FDA_Category_D_and_X_L1000_Similarity": -0.316922, "FDA_Category_D_and_X_Structural_Similarity": -0.519799, "FDA_Category_D_and_X_Weighted_Contribution": -0.691899, "FDA_Category_D_and_X_Top_Rank": -0.0941658, "Placenta_Crossing_L1000_Similarity": 0.174447, "Placenta_Crossing_Structural_Similarity": -0.523463, "Placenta_Crossing_Weighted_Contribution": -0.501137, "Placenta_Crossing_Top_Rank": -0.0868443, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C", "InChI_key": "TZRHLKRLEZJVIJ-UHFFFAOYSA-N" } }, "CID:13342": { "type": "Drug", "properties": { "id": "CID:13342", "label": "vinblastine", "lsm": "LSM-1647", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/13342", "IDG_ID": "2823", "FDA_Category_D_L1000_Similarity": -0.673045, "FDA_Category_D_Structural_Similarity": 4.4697, "FDA_Category_D_Weighted_Contribution": 3.62243, "FDA_Category_D_Top_Rank": 0.794113, "FDA_Category_X_L1000_Similarity": -0.701864, "FDA_Category_X_Structural_Similarity": 0.569705, "FDA_Category_X_Weighted_Contribution": 0.0909987, "FDA_Category_X_Top_Rank": -0.0590582, "FDA_Category_D_and_X_L1000_Similarity": -0.793323, "FDA_Category_D_and_X_Structural_Similarity": 3.85507, "FDA_Category_D_and_X_Weighted_Contribution": 3.13275, "FDA_Category_D_and_X_Top_Rank": 0.59718, "Placenta_Crossing_L1000_Similarity": -1.71687, "Placenta_Crossing_Structural_Similarity": 0.170931, "Placenta_Crossing_Weighted_Contribution": -0.699548, "Placenta_Crossing_Top_Rank": -0.0785207, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O", "InChI_key": "JXLYSJRDGCGARV-CFWMRBGOSA-N" } }, "CID:3219": { "type": "Drug", "properties": { "id": "CID:3219", "label": "emedastine", "lsm": "LSM-5331", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3219", "IDG_ID": "999", "FDA_Category_D_L1000_Similarity": 0.641137, "FDA_Category_D_Structural_Similarity": -0.637302, "FDA_Category_D_Weighted_Contribution": -0.344141, "FDA_Category_D_Top_Rank": -0.0814049, "FDA_Category_X_L1000_Similarity": 0.729906, "FDA_Category_X_Structural_Similarity": -0.647424, "FDA_Category_X_Weighted_Contribution": -0.379085, "FDA_Category_X_Top_Rank": -0.0784887, "FDA_Category_D_and_X_L1000_Similarity": 0.774323, "FDA_Category_D_and_X_Structural_Similarity": -0.855183, "FDA_Category_D_and_X_Weighted_Contribution": -0.486096, "FDA_Category_D_and_X_Top_Rank": -0.0786409, "Placenta_Crossing_L1000_Similarity": 0.410507, "Placenta_Crossing_Structural_Similarity": -0.848366, "Placenta_Crossing_Weighted_Contribution": -0.656385, "Placenta_Crossing_Top_Rank": -0.0843271, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C", "InChI_key": "KBUZBQVCBVDWKX-UHFFFAOYSA-N" } }, "CID:3689416": { "type": "Drug", "properties": { "id": "CID:3689416", "label": "k784-3188", "lsm": "LSM-1763", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3689416", "FDA_Category_D_L1000_Similarity": -2.10945, "FDA_Category_D_Structural_Similarity": 0.229413, "FDA_Category_D_Weighted_Contribution": -0.897817, "FDA_Category_D_Top_Rank": -0.0790344, "FDA_Category_X_L1000_Similarity": -2.38593, "FDA_Category_X_Structural_Similarity": -0.43959, "FDA_Category_X_Weighted_Contribution": -1.29603, "FDA_Category_X_Top_Rank": -0.0888671, "FDA_Category_D_and_X_L1000_Similarity": -2.54294, "FDA_Category_D_and_X_Structural_Similarity": -0.0551124, "FDA_Category_D_and_X_Weighted_Contribution": -1.16344, "FDA_Category_D_and_X_Top_Rank": -0.0874062, "Placenta_Crossing_L1000_Similarity": -2.95085, "Placenta_Crossing_Structural_Similarity": 0.197888, "Placenta_Crossing_Weighted_Contribution": -1.07712, "Placenta_Crossing_Top_Rank": -0.0777844, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl", "InChI_key": "STXBWZSVEOQYLQ-UHFFFAOYSA-N" } }, "CID:3826": { "type": "Drug", "properties": { "id": "CID:3826", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3826", "label": "ketorolac", "FDA_Category_D_L1000_Similarity": 1.23892, "FDA_Category_D_Structural_Similarity": -0.628241, "FDA_Category_D_Weighted_Contribution": -0.0233251, "FDA_Category_D_Top_Rank": -0.0448335, "FDA_Category_X_L1000_Similarity": 0.356932, "FDA_Category_X_Structural_Similarity": -0.731741, "FDA_Category_X_Weighted_Contribution": -0.604771, "FDA_Category_X_Top_Rank": -0.0843143, "FDA_Category_D_and_X_L1000_Similarity": 1.17636, "FDA_Category_D_and_X_Structural_Similarity": -0.893488, "FDA_Category_D_and_X_Weighted_Contribution": -0.335063, "FDA_Category_D_and_X_Top_Rank": -0.0565505, "Placenta_Crossing_L1000_Similarity": 0.1742, "Placenta_Crossing_Structural_Similarity": -1.10113, "Placenta_Crossing_Weighted_Contribution": -0.908712, "Placenta_Crossing_Top_Rank": -0.0868467, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O", "InChI_key": "OZWKMVRBQXNZKK-UHFFFAOYSA-N" } }, "CID:43008": { "type": "Drug", "properties": { "id": "CID:43008", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID43008", "label": "alizapride", "FDA_Category_D_L1000_Similarity": 0.353215, "FDA_Category_D_Structural_Similarity": 0.375473, "FDA_Category_D_Weighted_Contribution": 0.456783, "FDA_Category_D_Top_Rank": -0.075079, "FDA_Category_X_L1000_Similarity": -0.848181, "FDA_Category_X_Structural_Similarity": -0.103083, "FDA_Category_X_Weighted_Contribution": -0.584344, "FDA_Category_X_Top_Rank": -0.0824022, "FDA_Category_D_and_X_L1000_Similarity": 0.0469025, "FDA_Category_D_and_X_Structural_Similarity": 0.242395, "FDA_Category_D_and_X_Weighted_Contribution": 0.114608, "FDA_Category_D_and_X_Top_Rank": -0.0807447, "Placenta_Crossing_L1000_Similarity": -0.413505, "Placenta_Crossing_Structural_Similarity": 0.726169, "Placenta_Crossing_Weighted_Contribution": 0.359576, "Placenta_Crossing_Top_Rank": -0.062131, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC2=NNN=C2C=C1C(=O)NCC3CCCN3CC=C", "InChI_key": "KSEYRUGYKHXGFW-UHFFFAOYSA-N" } }, "CID:44607584": { "type": "Drug", "properties": { "id": "CID:44607584", "label": "ku-c104137", "lsm": "LSM-2101", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607584", "FDA_Category_D_L1000_Similarity": -0.195642, "FDA_Category_D_Structural_Similarity": -0.819541, "FDA_Category_D_Weighted_Contribution": -0.851132, "FDA_Category_D_Top_Rank": -0.0936589, "FDA_Category_X_L1000_Similarity": 0.851502, "FDA_Category_X_Structural_Similarity": -0.492216, "FDA_Category_X_Weighted_Contribution": -0.184302, "FDA_Category_X_Top_Rank": -0.0756233, "FDA_Category_D_and_X_L1000_Similarity": 0.0899369, "FDA_Category_D_and_X_Structural_Similarity": -0.916078, "FDA_Category_D_and_X_Weighted_Contribution": -0.80695, "FDA_Category_D_and_X_Top_Rank": -0.0914223, "Placenta_Crossing_L1000_Similarity": 0.666109, "Placenta_Crossing_Structural_Similarity": -0.527202, "Placenta_Crossing_Weighted_Contribution": -0.300149, "Placenta_Crossing_Top_Rank": -0.0796993, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=COC=C5)C", "InChI_key": "MMAGAWGNOCQTNT-UHFFFAOYSA-N" } }, "CID:44629744": { "type": "Drug", "properties": { "id": "CID:44629744", "label": "ku-c104248", "lsm": "LSM-2551", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44629744", "FDA_Category_D_L1000_Similarity": 1.14918, "FDA_Category_D_Structural_Similarity": -0.835423, "FDA_Category_D_Weighted_Contribution": -0.258666, "FDA_Category_D_Top_Rank": -0.0537986, "FDA_Category_X_L1000_Similarity": -0.292137, "FDA_Category_X_Structural_Similarity": -0.40151, "FDA_Category_X_Weighted_Contribution": -0.600454, "FDA_Category_X_Top_Rank": -0.0882267, "FDA_Category_D_and_X_L1000_Similarity": 0.901893, "FDA_Category_D_and_X_Structural_Similarity": -0.879739, "FDA_Category_D_and_X_Weighted_Contribution": -0.449063, "FDA_Category_D_and_X_Top_Rank": -0.0739557, "Placenta_Crossing_L1000_Similarity": 0.571981, "Placenta_Crossing_Structural_Similarity": -0.851761, "Placenta_Crossing_Weighted_Contribution": -0.598332, "Placenta_Crossing_Top_Rank": -0.0816498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(N2C(=CC(=N2)C3=CC=C(C=C3)OC)N=C1C)N4CCN(CC4)C(=O)C5=COC=C5", "InChI_key": "FYEXGWWQIOBTNZ-UHFFFAOYSA-N" } }, "CID:4516886": { "type": "Drug", "properties": { "id": "CID:4516886", "label": "gw-1929", "lsm": "LSM-1338", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4516886", "FDA_Category_D_L1000_Similarity": 1.35172, "FDA_Category_D_Structural_Similarity": -0.153524, "FDA_Category_D_Weighted_Contribution": 0.514714, "FDA_Category_D_Top_Rank": -0.0317092, "FDA_Category_X_L1000_Similarity": 0.0385833, "FDA_Category_X_Structural_Similarity": -0.215674, "FDA_Category_X_Weighted_Contribution": -0.303261, "FDA_Category_X_Top_Rank": -0.084884, "FDA_Category_D_and_X_L1000_Similarity": 1.17691, "FDA_Category_D_and_X_Structural_Similarity": -0.238231, "FDA_Category_D_and_X_Weighted_Contribution": 0.262545, "FDA_Category_D_and_X_Top_Rank": -0.0564751, "Placenta_Crossing_L1000_Similarity": 1.80234, "Placenta_Crossing_Structural_Similarity": 0.402713, "Placenta_Crossing_Weighted_Contribution": 1.20572, "Placenta_Crossing_Top_Rank": 0.000664336, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4", "InChI_key": "QTQMRBZOBKYXCG-UHFFFAOYSA-N" } }, "CID:46901937": { "type": "Drug", "properties": { "id": "CID:46901937", "label": "unc-0321", "lsm": "LSM-4942", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46901937", "FDA_Category_D_L1000_Similarity": 1.58536, "FDA_Category_D_Structural_Similarity": 1.22383, "FDA_Category_D_Weighted_Contribution": 2.13701, "FDA_Category_D_Top_Rank": 0.0108042, "FDA_Category_X_L1000_Similarity": 0.41488, "FDA_Category_X_Structural_Similarity": -0.241207, "FDA_Category_X_Weighted_Contribution": -0.153888, "FDA_Category_X_Top_Rank": -0.0835714, "FDA_Category_D_and_X_L1000_Similarity": 1.49259, "FDA_Category_D_and_X_Structural_Similarity": 0.841218, "FDA_Category_D_and_X_Weighted_Contribution": 1.57991, "FDA_Category_D_and_X_Top_Rank": -0.0243878, "Placenta_Crossing_L1000_Similarity": 1.83006, "Placenta_Crossing_Structural_Similarity": 1.28521, "Placenta_Crossing_Weighted_Contribution": 2.14737, "Placenta_Crossing_Top_Rank": 0.00540525, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCOCCN(C)C", "InChI_key": "AULLUGALUBVBDD-UHFFFAOYSA-N" } }, "CID:5056826": { "type": "Drug", "properties": { "id": "CID:5056826", "label": "f-1566-0341", "lsm": "LSM-4706", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5056826", "FDA_Category_D_L1000_Similarity": -2.20415, "FDA_Category_D_Structural_Similarity": -0.0266098, "FDA_Category_D_Weighted_Contribution": -1.08433, "FDA_Category_D_Top_Rank": -0.0857305, "FDA_Category_X_L1000_Similarity": -2.673, "FDA_Category_X_Structural_Similarity": -0.70668, "FDA_Category_X_Weighted_Contribution": -1.47905, "FDA_Category_X_Top_Rank": -0.091985, "FDA_Category_D_and_X_L1000_Similarity": -2.71175, "FDA_Category_D_and_X_Structural_Similarity": -0.402442, "FDA_Category_D_and_X_Weighted_Contribution": -1.3623, "FDA_Category_D_and_X_Top_Rank": -0.0929873, "Placenta_Crossing_L1000_Similarity": -3.19705, "Placenta_Crossing_Structural_Similarity": 1.70405, "Placenta_Crossing_Weighted_Contribution": -0.059866, "Placenta_Crossing_Top_Rank": -0.000409701, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)C(=CC(=C2O)SC3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl", "InChI_key": "IBNDEPGJQYIEJX-UHFFFAOYSA-N" } }, "CID:5353853": { "type": "Drug", "properties": { "id": "CID:5353853", "label": "oxiconazole", "lsm": "LSM-5389", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5353853", "IDG_ID": "3408", "FDA_Category_D_L1000_Similarity": 0.228669, "FDA_Category_D_Structural_Similarity": 0.203129, "FDA_Category_D_Weighted_Contribution": 0.208067, "FDA_Category_D_Top_Rank": -0.0798265, "FDA_Category_X_L1000_Similarity": 0.476177, "FDA_Category_X_Structural_Similarity": -0.349247, "FDA_Category_X_Weighted_Contribution": -0.225779, "FDA_Category_X_Top_Rank": -0.0828153, "FDA_Category_D_and_X_L1000_Similarity": 0.341719, "FDA_Category_D_and_X_Structural_Similarity": -0.0272263, "FDA_Category_D_and_X_Weighted_Contribution": 0.0163826, "FDA_Category_D_and_X_Top_Rank": -0.0868734, "Placenta_Crossing_L1000_Similarity": 1.4916, "Placenta_Crossing_Structural_Similarity": 0.443406, "Placenta_Crossing_Weighted_Contribution": 1.07931, "Placenta_Crossing_Top_Rank": -0.0408444, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl", "InChI_key": "QRJJEGAJXVEBNE-HKOYGPOVSA-N" } }, "CID:5961": { "type": "Drug", "properties": { "id": "CID:5961", "label": "l-glutamine", "lsm": "LSM-4741", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5961", "FDA_Category_D_L1000_Similarity": -0.292533, "FDA_Category_D_Structural_Similarity": 0.231344, "FDA_Category_D_Weighted_Contribution": -0.058063, "FDA_Category_D_Top_Rank": -0.079004, "FDA_Category_X_L1000_Similarity": 0.750801, "FDA_Category_X_Structural_Similarity": -0.594937, "FDA_Category_X_Weighted_Contribution": -0.323666, "FDA_Category_X_Top_Rank": -0.0780377, "FDA_Category_D_and_X_L1000_Similarity": -0.0241603, "FDA_Category_D_and_X_Structural_Similarity": -0.137405, "FDA_Category_D_and_X_Weighted_Contribution": -0.265007, "FDA_Category_D_and_X_Top_Rank": -0.0890522, "Placenta_Crossing_L1000_Similarity": -0.0831752, "Placenta_Crossing_Structural_Similarity": -0.288492, "Placenta_Crossing_Weighted_Contribution": -0.417809, "Placenta_Crossing_Top_Rank": -0.0873114, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(=O)N)C(C(=O)O)N", "InChI_key": "ZDXPYRJPNDTMRX-VKHMYHEASA-N" } }, "CID:7083563": { "type": "Drug", "properties": { "id": "CID:7083563", "label": "floxuridine", "lsm": "LSM-5157", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/7083563", "FDA_Category_D_L1000_Similarity": 0.231755, "FDA_Category_D_Structural_Similarity": 0.801323, "FDA_Category_D_Weighted_Contribution": 0.832692, "FDA_Category_D_Top_Rank": -0.0605324, "FDA_Category_X_L1000_Similarity": -2.70673, "FDA_Category_X_Structural_Similarity": 0.334166, "FDA_Category_X_Weighted_Contribution": -0.943847, "FDA_Category_X_Top_Rank": -0.068332, "FDA_Category_D_and_X_L1000_Similarity": -0.622209, "FDA_Category_D_and_X_Structural_Similarity": 0.816335, "FDA_Category_D_and_X_Weighted_Contribution": 0.307995, "FDA_Category_D_and_X_Top_Rank": -0.0626361, "Placenta_Crossing_L1000_Similarity": -1.88139, "Placenta_Crossing_Structural_Similarity": 0.390044, "Placenta_Crossing_Weighted_Contribution": -0.600437, "Placenta_Crossing_Top_Rank": -0.0728207, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0 } }, "CID:831629": { "type": "Drug", "properties": { "id": "CID:831629", "label": "alda-1", "lsm": "LSM-6212", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/831629", "FDA_Category_D_L1000_Similarity": 2.38709, "FDA_Category_D_Structural_Similarity": 0.593548, "FDA_Category_D_Weighted_Contribution": 1.97213, "FDA_Category_D_Top_Rank": 0.633069, "FDA_Category_X_L1000_Similarity": 1.39885, "FDA_Category_X_Structural_Similarity": -0.570591, "FDA_Category_X_Weighted_Contribution": 0.0026576, "FDA_Category_X_Top_Rank": -0.0533588, "FDA_Category_D_and_X_L1000_Similarity": 2.48251, "FDA_Category_D_and_X_Structural_Similarity": 0.163218, "FDA_Category_D_and_X_Weighted_Contribution": 1.4494, "FDA_Category_D_and_X_Top_Rank": 0.459882, "Placenta_Crossing_L1000_Similarity": 2.83044, "Placenta_Crossing_Structural_Similarity": 0.234771, "Placenta_Crossing_Weighted_Contribution": 1.58634, "Placenta_Crossing_Top_Rank": 0.604891, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3Cl)Cl", "InChI_key": "NMKJFZCBCIUYHI-UHFFFAOYSA-N" } }, "CID:892": { "type": "Drug", "properties": { "id": "CID:892", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID892", "label": "scyllo-inositol", "FDA_Category_D_L1000_Similarity": 0.475744, "FDA_Category_X_L1000_Similarity": -1.12708, "FDA_Category_D_and_X_L1000_Similarity": 0.0678271, "Placenta_Crossing_L1000_Similarity": -0.119044, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O", "InChI_key": "CDAISMWEOUEBRE-CDRYSYESSA-N" } }, "CID:11625818": { "type": "Drug", "properties": { "id": "CID:11625818", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11625818", "label": "idelalisib", "FDA_Category_D_L1000_Similarity": 0.851227, "FDA_Category_D_Structural_Similarity": 0.0760145, "FDA_Category_D_Weighted_Contribution": 0.448679, "FDA_Category_D_Top_Rank": -0.0737889, "FDA_Category_X_L1000_Similarity": 1.23908, "FDA_Category_X_Structural_Similarity": 1.684, "FDA_Category_X_Weighted_Contribution": 2.38013, "FDA_Category_X_Top_Rank": 0.00428759, "FDA_Category_D_and_X_L1000_Similarity": 1.11006, "FDA_Category_D_and_X_Structural_Similarity": 0.969013, "FDA_Category_D_and_X_Weighted_Contribution": 1.48815, "FDA_Category_D_and_X_Top_Rank": -0.0550344, "Placenta_Crossing_L1000_Similarity": 1.70019, "Placenta_Crossing_Structural_Similarity": -0.883858, "Placenta_Crossing_Weighted_Contribution": -0.153655, "Placenta_Crossing_Top_Rank": -0.0150218, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5", "InChI_key": "IFSDAJWBUCMOAH-HNNXBMFYSA-N" } }, "CID:129010078": { "type": "Drug", "properties": { "id": "CID:129010078", "label": "triptolide", "lsm": "LSM-6185", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/129010078", "FDA_Category_D_L1000_Similarity": 1.11479, "FDA_Category_D_Structural_Similarity": -0.703024, "FDA_Category_D_Weighted_Contribution": -0.159018, "FDA_Category_D_Top_Rank": -0.0570452, "FDA_Category_X_L1000_Similarity": -1.7014, "FDA_Category_X_Structural_Similarity": -0.0924483, "FDA_Category_X_Weighted_Contribution": -0.892674, "FDA_Category_X_Top_Rank": -0.0820971, "FDA_Category_D_and_X_L1000_Similarity": 0.444287, "FDA_Category_D_and_X_Structural_Similarity": -0.607884, "FDA_Category_D_and_X_Weighted_Contribution": -0.436839, "FDA_Category_D_and_X_Top_Rank": -0.0867703, "Placenta_Crossing_L1000_Similarity": -0.609225, "Placenta_Crossing_Structural_Similarity": -0.470807, "Placenta_Crossing_Weighted_Contribution": -0.755493, "Placenta_Crossing_Top_Rank": -0.0894362, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:15951529": { "type": "Drug", "properties": { "id": "CID:15951529", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID15951529", "label": "enzalutamide", "FDA_Category_D_L1000_Similarity": 2.27599, "FDA_Category_D_Structural_Similarity": 3.92071, "FDA_Category_D_Weighted_Contribution": 4.07743, "FDA_Category_D_Top_Rank": 0.501328, "FDA_Category_X_L1000_Similarity": 3.84566, "FDA_Category_X_Structural_Similarity": -0.598598, "FDA_Category_X_Weighted_Contribution": 1.3022, "FDA_Category_X_Top_Rank": 4.07064, "FDA_Category_D_and_X_L1000_Similarity": 3.1298, "FDA_Category_D_and_X_Structural_Similarity": 2.78892, "FDA_Category_D_and_X_Weighted_Contribution": 3.73972, "FDA_Category_D_and_X_Top_Rank": 2.50688, "Placenta_Crossing_L1000_Similarity": 3.08164, "Placenta_Crossing_Structural_Similarity": 0.435394, "Placenta_Crossing_Weighted_Contribution": 1.93042, "Placenta_Crossing_Top_Rank": 1.29008, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C", "InChI_key": "WXCXUHSOUPDCQV-UHFFFAOYSA-N" } }, "CID:16736978": { "type": "Drug", "properties": { "id": "CID:16736978", "label": "ku-0063794", "lsm": "LSM-5754", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/16736978", "FDA_Category_D_L1000_Similarity": -1.50861, "FDA_Category_D_Structural_Similarity": 0.0432472, "FDA_Category_D_Weighted_Contribution": -0.787856, "FDA_Category_D_Top_Rank": -0.084073, "FDA_Category_X_L1000_Similarity": -1.43316, "FDA_Category_X_Structural_Similarity": 0.408188, "FDA_Category_X_Weighted_Contribution": -0.40234, "FDA_Category_X_Top_Rank": -0.0654526, "FDA_Category_D_and_X_L1000_Similarity": -1.73567, "FDA_Category_D_and_X_Structural_Similarity": 0.254583, "FDA_Category_D_and_X_Weighted_Contribution": -0.706632, "FDA_Category_D_and_X_Top_Rank": -0.0804995, "Placenta_Crossing_L1000_Similarity": -1.20001, "Placenta_Crossing_Structural_Similarity": -0.117174, "Placenta_Crossing_Weighted_Contribution": -0.717894, "Placenta_Crossing_Top_Rank": -0.0845339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CC(O1)C)C2=NC3=C(C=CC(=N3)C4=CC(=C(C=C4)OC)CO)C(=N2)N5CCOCC5", "InChI_key": "RFSMUFRPPYDYRD-CALCHBBNSA-N" } }, "CID:2081": { "type": "Drug", "properties": { "id": "CID:2081", "label": "alaproclate", "lsm": "LSM-1333", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2081", "FDA_Category_D_L1000_Similarity": 1.64225, "FDA_Category_D_Structural_Similarity": 3.3521, "FDA_Category_D_Weighted_Contribution": 3.73836, "FDA_Category_D_Top_Rank": 0.307037, "FDA_Category_X_L1000_Similarity": -0.226819, "FDA_Category_X_Structural_Similarity": -0.462565, "FDA_Category_X_Weighted_Contribution": -0.622901, "FDA_Category_X_Top_Rank": -0.0889443, "FDA_Category_D_and_X_L1000_Similarity": 1.34677, "FDA_Category_D_and_X_Structural_Similarity": 2.41101, "FDA_Category_D_and_X_Weighted_Contribution": 2.95782, "FDA_Category_D_and_X_Top_Rank": 0.0909378, "Placenta_Crossing_L1000_Similarity": 1.5658, "Placenta_Crossing_Structural_Similarity": 1.95572, "Placenta_Crossing_Weighted_Contribution": 2.64757, "Placenta_Crossing_Top_Rank": 0.0270159, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N", "InChI_key": "FZSPJBYOKQPKCD-UHFFFAOYSA-N" } }, "CID:219078": { "type": "Drug", "properties": { "id": "CID:219078", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID219078", "label": "lacosamide", "FDA_Category_D_L1000_Similarity": 0.435923, "FDA_Category_D_Structural_Similarity": -0.787392, "FDA_Category_D_Weighted_Contribution": -0.563066, "FDA_Category_D_Top_Rank": -0.086516, "FDA_Category_X_L1000_Similarity": 0.523105, "FDA_Category_X_Structural_Similarity": -0.165644, "FDA_Category_X_Weighted_Contribution": -0.0298474, "FDA_Category_X_Top_Rank": -0.0822078, "FDA_Category_D_and_X_L1000_Similarity": 0.534631, "FDA_Category_D_and_X_Structural_Similarity": -0.714344, "FDA_Category_D_and_X_Weighted_Contribution": -0.481025, "FDA_Category_D_and_X_Top_Rank": -0.0850436, "Placenta_Crossing_L1000_Similarity": 2.01543, "Placenta_Crossing_Structural_Similarity": 0.174993, "Placenta_Crossing_Weighted_Contribution": 1.07643, "Placenta_Crossing_Top_Rank": 0.0480192, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1", "InChI_key": "VPPJLAIAVCUEMN-GFCCVEGCSA-N" } }, "CID:259329": { "type": "Drug", "properties": { "id": "CID:259329", "label": "estramustine phosphate", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/259329", "FDA_Category_D_L1000_Similarity": 1.05614, "FDA_Category_D_Structural_Similarity": 1.31806, "FDA_Category_D_Weighted_Contribution": 1.9149, "FDA_Category_D_Top_Rank": -0.0331028, "FDA_Category_X_L1000_Similarity": 0.160896, "FDA_Category_X_Structural_Similarity": 0.635133, "FDA_Category_X_Weighted_Contribution": 0.614684, "FDA_Category_X_Top_Rank": -0.0562752, "FDA_Category_D_and_X_L1000_Similarity": 0.959261, "FDA_Category_D_and_X_Structural_Similarity": 1.38887, "FDA_Category_D_and_X_Weighted_Contribution": 1.83926, "FDA_Category_D_and_X_Top_Rank": -0.0241717, "Placenta_Crossing_L1000_Similarity": 1.74836, "Placenta_Crossing_Structural_Similarity": 0.327098, "Placenta_Crossing_Weighted_Contribution": 1.09438, "Placenta_Crossing_Top_Rank": -0.00807981, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl", "InChI_key": "ADFOJJHRTBFFOF-RBRWEJTLSA-N" } }, "CID:3463": { "type": "Drug", "properties": { "id": "CID:3463", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3463", "label": "gemfibrozil", "FDA_Category_D_L1000_Similarity": 3.05364, "FDA_Category_D_Structural_Similarity": -0.884095, "FDA_Category_D_Weighted_Contribution": 0.797158, "FDA_Category_D_Top_Rank": 5.1172, "FDA_Category_X_L1000_Similarity": 1.23896, "FDA_Category_X_Structural_Similarity": -0.431028, "FDA_Category_X_Weighted_Contribution": 0.0615044, "FDA_Category_X_Top_Rank": -0.0623321, "FDA_Category_D_and_X_L1000_Similarity": 3.00854, "FDA_Category_D_and_X_Structural_Similarity": -0.934299, "FDA_Category_D_and_X_Weighted_Contribution": 0.596804, "FDA_Category_D_and_X_Top_Rank": 1.8109, "Placenta_Crossing_L1000_Similarity": 2.16006, "Placenta_Crossing_Structural_Similarity": -0.0465699, "Placenta_Crossing_Weighted_Contribution": 0.916851, "Placenta_Crossing_Top_Rank": 0.092335, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O", "InChI_key": "HEMJJKBWTPKOJG-UHFFFAOYSA-N" } }, "CID:3472": { "type": "Drug", "properties": { "id": "CID:3472", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3472", "label": "gimeracil", "FDA_Category_D_L1000_Similarity": 0.693003, "FDA_Category_D_Structural_Similarity": -0.862675, "FDA_Category_D_Weighted_Contribution": -0.50412, "FDA_Category_D_Top_Rank": -0.0798076, "FDA_Category_X_L1000_Similarity": -0.895763, "FDA_Category_X_Structural_Similarity": -0.753155, "FDA_Category_X_Weighted_Contribution": -1.05845, "FDA_Category_X_Top_Rank": -0.0910841, "FDA_Category_D_and_X_L1000_Similarity": 0.325354, "FDA_Category_D_and_X_Structural_Similarity": -1.09112, "FDA_Category_D_and_X_Weighted_Contribution": -0.83517, "FDA_Category_D_and_X_Top_Rank": -0.0885982, "Placenta_Crossing_L1000_Similarity": -0.0830301, "Placenta_Crossing_Structural_Similarity": -1.03779, "Placenta_Crossing_Weighted_Contribution": -0.950158, "Placenta_Crossing_Top_Rank": -0.0888745, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(NC=C(C1=O)Cl)O", "InChI_key": "ZPLQIPFOCGIIHV-UHFFFAOYSA-N" } }, "CID:3748": { "type": "Drug", "properties": { "id": "CID:3748", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3748", "label": "iproniazid", "FDA_Category_D_L1000_Similarity": 2.25262, "FDA_Category_D_Structural_Similarity": -0.84066, "FDA_Category_D_Weighted_Contribution": 0.350123, "FDA_Category_D_Top_Rank": 0.3919, "FDA_Category_X_L1000_Similarity": -0.157099, "FDA_Category_X_Structural_Similarity": -0.713833, "FDA_Category_X_Weighted_Contribution": -0.786388, "FDA_Category_X_Top_Rank": -0.0885447, "FDA_Category_D_and_X_L1000_Similarity": 1.89409, "FDA_Category_D_and_X_Structural_Similarity": -1.05242, "FDA_Category_D_and_X_Weighted_Contribution": -0.124953, "FDA_Category_D_and_X_Top_Rank": 0.0582444, "Placenta_Crossing_L1000_Similarity": 1.31196, "Placenta_Crossing_Structural_Similarity": -0.219856, "Placenta_Crossing_Weighted_Contribution": 0.288717, "Placenta_Crossing_Top_Rank": -0.0545879, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NNC(=O)C1=CC=NC=C1", "InChI_key": "NYMGNSNKLVNMIA-UHFFFAOYSA-N" } }, "CID:4104": { "type": "Drug", "properties": { "id": "CID:4104", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4104", "label": "methimazole", "ref": "LSM-5646", "FDA_Category_D_L1000_Similarity": 1.82001, "FDA_Category_D_Structural_Similarity": -0.820183, "FDA_Category_D_Weighted_Contribution": 0.118332, "FDA_Category_D_Top_Rank": 0.0791657, "FDA_Category_X_L1000_Similarity": 3.54158, "FDA_Category_X_Structural_Similarity": 10.4213, "FDA_Category_X_Weighted_Contribution": 4.723, "FDA_Category_X_Top_Rank": 5.92336, "FDA_Category_D_and_X_L1000_Similarity": 2.64439, "FDA_Category_D_and_X_Structural_Similarity": 4.9723, "FDA_Category_D_and_X_Weighted_Contribution": 4.20942, "FDA_Category_D_and_X_Top_Rank": 1.20192, "Placenta_Crossing_L1000_Similarity": 2.52784, "Placenta_Crossing_Structural_Similarity": 2.63731, "Placenta_Crossing_Weighted_Contribution": 3.47877, "Placenta_Crossing_Top_Rank": 0.302768, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CN1C=CN=C1S", "InChI_key": "PMRYVIKBURPHAH-UHFFFAOYSA-N" } }, "CID:441276": { "type": "Drug", "properties": { "id": "CID:441276", "label": "paclitaxel", "lsm": "LSM-1102", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/441276", "IDG_ID": "2044", "FDA_Category_D_L1000_Similarity": -0.106158, "FDA_Category_D_Structural_Similarity": 2.51854, "FDA_Category_D_Weighted_Contribution": 2.43524, "FDA_Category_D_Top_Rank": 0.134156, "FDA_Category_X_L1000_Similarity": -0.313155, "FDA_Category_X_Structural_Similarity": 1.07088, "FDA_Category_X_Weighted_Contribution": 0.835061, "FDA_Category_X_Top_Rank": -0.0371398, "FDA_Category_D_and_X_L1000_Similarity": -0.18661, "FDA_Category_D_and_X_Structural_Similarity": 2.57684, "FDA_Category_D_and_X_Weighted_Contribution": 2.37468, "FDA_Category_D_and_X_Top_Rank": 0.115278, "Placenta_Crossing_L1000_Similarity": -0.278401, "Placenta_Crossing_Structural_Similarity": 0.491231, "Placenta_Crossing_Weighted_Contribution": 0.194259, "Placenta_Crossing_Top_Rank": -0.0697671, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C", "InChI_key": "RCINICONZNJXQF-VAZQATRQSA-N" } }, "CID:4858": { "type": "Drug", "properties": { "id": "CID:4858", "label": "n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide", "lsm": "LSM-4937", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4858", "FDA_Category_D_L1000_Similarity": 0.795588, "FDA_Category_D_Structural_Similarity": 0.0659654, "FDA_Category_D_Weighted_Contribution": 0.404738, "FDA_Category_D_Top_Rank": -0.0761595, "FDA_Category_X_L1000_Similarity": 1.28625, "FDA_Category_X_Structural_Similarity": 0.186534, "FDA_Category_X_Weighted_Contribution": 0.741241, "FDA_Category_X_Top_Rank": -0.0600913, "FDA_Category_D_and_X_L1000_Similarity": 1.07642, "FDA_Category_D_and_X_Structural_Similarity": 0.15301, "FDA_Category_D_and_X_Weighted_Contribution": 0.601185, "FDA_Category_D_and_X_Top_Rank": -0.0645073, "Placenta_Crossing_L1000_Similarity": 2.04926, "Placenta_Crossing_Structural_Similarity": 0.217079, "Placenta_Crossing_Weighted_Contribution": 1.14044, "Placenta_Crossing_Top_Rank": 0.055941, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32", "InChI_key": "UYJZZVDLGDDTCL-UHFFFAOYSA-N" } }, "CID:49849912": { "type": "Drug", "properties": { "id": "CID:49849912", "label": "cam-9-027-3", "lsm": "LSM-3003", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49849912", "FDA_Category_D_L1000_Similarity": -1.27177, "FDA_Category_D_Structural_Similarity": -0.770407, "FDA_Category_D_Weighted_Contribution": -1.18962, "FDA_Category_D_Top_Rank": -0.0963286, "FDA_Category_X_L1000_Similarity": 2.72822, "FDA_Category_X_Structural_Similarity": -0.620483, "FDA_Category_X_Weighted_Contribution": 0.646657, "FDA_Category_X_Top_Rank": 0.312583, "FDA_Category_D_and_X_L1000_Similarity": -0.267779, "FDA_Category_D_and_X_Structural_Similarity": -0.946292, "FDA_Category_D_and_X_Weighted_Contribution": -0.952297, "FDA_Category_D_and_X_Top_Rank": -0.094032, "Placenta_Crossing_L1000_Similarity": -1.58964, "Placenta_Crossing_Structural_Similarity": 0.808676, "Placenta_Crossing_Weighted_Contribution": -0.132517, "Placenta_Crossing_Top_Rank": -0.0592866, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(C)CN(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "BKTXRPJVVXUPPO-PNCWTNKOSA-N" } }, "CID:5282060": { "type": "Drug", "properties": { "id": "CID:5282060", "label": "heliomycin", "lsm": "LSM-5729", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282060", "FDA_Category_D_L1000_Similarity": -3.2076, "FDA_Category_D_Structural_Similarity": -0.41716, "FDA_Category_D_Weighted_Contribution": -1.51625, "FDA_Category_D_Top_Rank": -0.0931292, "FDA_Category_X_L1000_Similarity": -3.45795, "FDA_Category_X_Structural_Similarity": -0.27082, "FDA_Category_X_Weighted_Contribution": -1.46165, "FDA_Category_X_Top_Rank": -0.0859612, "FDA_Category_D_and_X_L1000_Similarity": -3.81511, "FDA_Category_D_and_X_Structural_Similarity": -0.477239, "FDA_Category_D_and_X_Weighted_Contribution": -1.59397, "FDA_Category_D_and_X_Top_Rank": -0.093788, "Placenta_Crossing_L1000_Similarity": -4.68049, "Placenta_Crossing_Structural_Similarity": -0.191608, "Placenta_Crossing_Weighted_Contribution": -1.59272, "Placenta_Crossing_Top_Rank": -0.0858236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C2C3=C4C(=CC(=C13)O)C(C(=O)C5=C(C=C(C(=C45)C2=O)O)O)(C)C)O", "InChI_key": "ABLACSIRCKEUOB-UHFFFAOYSA-N" } }, "CID:5467": { "type": "Drug", "properties": { "id": "CID:5467", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5467", "label": "tiapride", "FDA_Category_D_L1000_Similarity": 1.41288, "FDA_Category_D_Structural_Similarity": -0.356893, "FDA_Category_D_Weighted_Contribution": 0.342016, "FDA_Category_D_Top_Rank": -0.0228188, "FDA_Category_X_L1000_Similarity": 2.53198, "FDA_Category_X_Structural_Similarity": -0.311691, "FDA_Category_X_Weighted_Contribution": 0.88128, "FDA_Category_X_Top_Rank": 0.175735, "FDA_Category_D_and_X_L1000_Similarity": 1.98685, "FDA_Category_D_and_X_Structural_Similarity": -0.451458, "FDA_Category_D_and_X_Weighted_Contribution": 0.504283, "FDA_Category_D_and_X_Top_Rank": 0.0902846, "Placenta_Crossing_L1000_Similarity": 2.08575, "Placenta_Crossing_Structural_Similarity": 3.88844, "Placenta_Crossing_Weighted_Contribution": 3.9235, "Placenta_Crossing_Top_Rank": 0.477714, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC", "InChI_key": "JTVPZMFULRWINT-UHFFFAOYSA-N" } }, "CID:5732": { "type": "Drug", "properties": { "id": "CID:5732", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5732", "label": "zolpidem", "FDA_Category_D_L1000_Similarity": 0.997692, "FDA_Category_D_Structural_Similarity": -0.0710662, "FDA_Category_D_Weighted_Contribution": 0.385577, "FDA_Category_D_Top_Rank": -0.0654767, "FDA_Category_X_L1000_Similarity": 1.71363, "FDA_Category_X_Structural_Similarity": -0.615407, "FDA_Category_X_Weighted_Contribution": 0.114725, "FDA_Category_X_Top_Rank": -0.029277, "FDA_Category_D_and_X_L1000_Similarity": 1.38043, "FDA_Category_D_and_X_Structural_Similarity": -0.388477, "FDA_Category_D_and_X_Weighted_Contribution": 0.227123, "FDA_Category_D_and_X_Top_Rank": -0.0393157, "Placenta_Crossing_L1000_Similarity": 3.10078, "Placenta_Crossing_Structural_Similarity": 1.73595, "Placenta_Crossing_Weighted_Contribution": 3.09139, "Placenta_Crossing_Top_Rank": 1.44875, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C", "InChI_key": "ZAFYATHCZYHLPB-UHFFFAOYSA-N" } }, "CID:753704": { "type": "Drug", "properties": { "id": "CID:753704", "label": "sa-792728", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/753704", "FDA_Category_D_L1000_Similarity": -1.71576, "FDA_Category_D_Structural_Similarity": -0.0315457, "FDA_Category_D_Weighted_Contribution": -0.917183, "FDA_Category_D_Top_Rank": -0.0858561, "FDA_Category_X_L1000_Similarity": -1.80723, "FDA_Category_X_Structural_Similarity": -0.444608, "FDA_Category_X_Weighted_Contribution": -1.14512, "FDA_Category_X_Top_Rank": -0.0889697, "FDA_Category_D_and_X_L1000_Similarity": -2.02783, "FDA_Category_D_and_X_Structural_Similarity": -0.264947, "FDA_Category_D_and_X_Weighted_Contribution": -1.12311, "FDA_Category_D_and_X_Top_Rank": -0.0912164, "Placenta_Crossing_L1000_Similarity": -2.23002, "Placenta_Crossing_Structural_Similarity": -0.357799, "Placenta_Crossing_Weighted_Contribution": -1.17719, "Placenta_Crossing_Top_Rank": -0.0882144, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl", "InChI_key": "ZFGXZJKLOFCECI-UHFFFAOYSA-N" } }, "CID:9797857": { "type": "Drug", "properties": { "id": "CID:9797857", "label": "4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile", "lsm": "LSM-6244", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9797857", "FDA_Category_D_L1000_Similarity": 1.65799, "FDA_Category_D_Structural_Similarity": -0.587366, "FDA_Category_D_Weighted_Contribution": 0.254351, "FDA_Category_D_Top_Rank": 0.030723, "FDA_Category_X_L1000_Similarity": 2.0835, "FDA_Category_X_Structural_Similarity": -0.659106, "FDA_Category_X_Weighted_Contribution": 0.259404, "FDA_Category_X_Top_Rank": 0.0249228, "FDA_Category_D_and_X_L1000_Similarity": 2.06193, "FDA_Category_D_and_X_Structural_Similarity": -0.821851, "FDA_Category_D_and_X_Weighted_Contribution": 0.177262, "FDA_Category_D_and_X_Top_Rank": 0.124807, "Placenta_Crossing_L1000_Similarity": 2.23819, "Placenta_Crossing_Structural_Similarity": -0.129985, "Placenta_Crossing_Weighted_Contribution": 0.869939, "Placenta_Crossing_Top_Rank": 0.128233, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC(=NC=C1)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N", "InChI_key": "SZUVGMCKKLJAFX-UHFFFAOYSA-N" } }, "CID:9915743": { "type": "Drug", "properties": { "id": "CID:9915743", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9915743", "label": "neratinib", "FDA_Category_D_L1000_Similarity": -1.82587, "FDA_Category_D_Structural_Similarity": -0.604719, "FDA_Category_D_Weighted_Contribution": -1.26711, "FDA_Category_D_Top_Rank": -0.0950981, "FDA_Category_X_L1000_Similarity": -0.606029, "FDA_Category_X_Structural_Similarity": 4.4453, "FDA_Category_X_Weighted_Contribution": 3.81593, "FDA_Category_X_Top_Rank": 0.820545, "FDA_Category_D_and_X_L1000_Similarity": -1.75797, "FDA_Category_D_and_X_Structural_Similarity": 1.91869, "FDA_Category_D_and_X_Weighted_Contribution": 0.7861, "FDA_Category_D_and_X_Top_Rank": 0.0262775, "Placenta_Crossing_L1000_Similarity": -2.41528, "Placenta_Crossing_Structural_Similarity": 0.491753, "Placenta_Crossing_Weighted_Contribution": -0.723234, "Placenta_Crossing_Top_Rank": -0.069752, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C", "InChI_key": "JWNPDZNEKVCWMY-VQHVLOKHSA-N" } }, "CID:1189521": { "type": "Drug", "properties": { "id": "CID:1189521", "label": "mw-mitf9", "lsm": "LSM-4843", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1189521", "FDA_Category_D_L1000_Similarity": 1.94798, "FDA_Category_D_Structural_Similarity": -0.352129, "FDA_Category_D_Weighted_Contribution": 0.673498, "FDA_Category_D_Top_Rank": 0.157885, "FDA_Category_X_L1000_Similarity": 0.87325, "FDA_Category_X_Structural_Similarity": -0.677792, "FDA_Category_X_Weighted_Contribution": -0.342793, "FDA_Category_X_Top_Rank": -0.0751051, "FDA_Category_D_and_X_L1000_Similarity": 1.94439, "FDA_Category_D_and_X_Structural_Similarity": -0.645224, "FDA_Category_D_and_X_Weighted_Contribution": 0.285429, "FDA_Category_D_and_X_Top_Rank": 0.0747227, "Placenta_Crossing_L1000_Similarity": 1.59719, "Placenta_Crossing_Structural_Similarity": -0.584568, "Placenta_Crossing_Weighted_Contribution": 0.0743611, "Placenta_Crossing_Top_Rank": -0.0289947, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]", "InChI_key": "HOPVGZYLIFZCOP-UHFFFAOYSA-N" } }, "CID:133621": { "type": "Drug", "properties": { "id": "CID:133621", "label": "imiloxan", "lsm": "LSM-1308", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/133621", "FDA_Category_D_L1000_Similarity": 1.5132, "FDA_Category_D_Structural_Similarity": 4.22735, "FDA_Category_D_Weighted_Contribution": 4.03734, "FDA_Category_D_Top_Rank": 0.652443, "FDA_Category_X_L1000_Similarity": -1.53203, "FDA_Category_X_Structural_Similarity": -0.116979, "FDA_Category_X_Weighted_Contribution": -0.851188, "FDA_Category_X_Top_Rank": -0.0827259, "FDA_Category_D_and_X_L1000_Similarity": 0.839151, "FDA_Category_D_and_X_Structural_Similarity": 3.29219, "FDA_Category_D_and_X_Weighted_Contribution": 3.35629, "FDA_Category_D_and_X_Top_Rank": 0.292945, "Placenta_Crossing_L1000_Similarity": 0.926832, "Placenta_Crossing_Structural_Similarity": 1.07553, "Placenta_Crossing_Weighted_Contribution": 1.45251, "Placenta_Crossing_Top_Rank": -0.0468058, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1C=CN=C1CC2COC3=CC=CC=C3O2", "InChI_key": "UXABARREKCJULM-UHFFFAOYSA-N" } }, "CID:135560153": { "type": "Drug", "properties": { "id": "CID:135560153", "label": "emf-csc-9", "lsm": "LSM-2009", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/135560153", "FDA_Category_D_L1000_Similarity": 2.10222, "FDA_Category_D_Structural_Similarity": -0.706496, "FDA_Category_D_Weighted_Contribution": 0.397228, "FDA_Category_D_Top_Rank": 0.290181, "FDA_Category_X_L1000_Similarity": 1.99067, "FDA_Category_X_Structural_Similarity": -0.743895, "FDA_Category_X_Weighted_Contribution": 0.124958, "FDA_Category_X_Top_Rank": 0.00934941, "FDA_Category_D_and_X_L1000_Similarity": 2.41667, "FDA_Category_D_and_X_Structural_Similarity": -0.962158, "FDA_Category_D_and_X_Weighted_Contribution": 0.234156, "FDA_Category_D_and_X_Top_Rank": 0.396247, "Placenta_Crossing_L1000_Similarity": 3.595, "Placenta_Crossing_Structural_Similarity": -1.04019, "Placenta_Crossing_Weighted_Contribution": 0.634711, "Placenta_Crossing_Top_Rank": 5.91809, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=CC=C1NCC(=O)NN=CC2=CC=CN2", "InChI_key": "AJAXJLBXNVVFNT-RQZCQDPDSA-N" } }, "CID:24826799": { "type": "Drug", "properties": { "id": "CID:24826799", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID24826799", "label": "ponatinib", "FDA_Category_D_L1000_Similarity": -0.270955, "FDA_Category_D_Structural_Similarity": -0.744861, "FDA_Category_D_Weighted_Contribution": -0.830803, "FDA_Category_D_Top_Rank": -0.0940742, "FDA_Category_X_L1000_Similarity": 0.515525, "FDA_Category_X_Structural_Similarity": 3.08039, "FDA_Category_X_Weighted_Contribution": 3.30553, "FDA_Category_X_Top_Rank": 0.242868, "FDA_Category_D_and_X_L1000_Similarity": -0.077009, "FDA_Category_D_and_X_Structural_Similarity": 1.07096, "FDA_Category_D_and_X_Weighted_Contribution": 0.886188, "FDA_Category_D_and_X_Top_Rank": -0.0486696, "Placenta_Crossing_L1000_Similarity": 0.449052, "Placenta_Crossing_Structural_Similarity": -0.786995, "Placenta_Crossing_Weighted_Contribution": -0.596528, "Placenta_Crossing_Top_Rank": -0.0837897, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5", "InChI_key": "PHXJVRSECIGDHY-UHFFFAOYSA-N" } }, "CID:2797": { "type": "Drug", "properties": { "id": "CID:2797", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2797", "label": "clofibric-acid", "FDA_Category_D_L1000_Similarity": -0.286253, "FDA_Category_D_Structural_Similarity": -0.650727, "FDA_Category_D_Weighted_Contribution": -0.772809, "FDA_Category_D_Top_Rank": -0.0941731, "FDA_Category_X_L1000_Similarity": 0.307871, "FDA_Category_X_Structural_Similarity": -0.71041, "FDA_Category_X_Weighted_Contribution": -0.607325, "FDA_Category_X_Top_Rank": -0.0848587, "FDA_Category_D_and_X_L1000_Similarity": -0.153256, "FDA_Category_D_and_X_Structural_Similarity": -0.899826, "FDA_Category_D_and_X_Weighted_Contribution": -0.884371, "FDA_Category_D_and_X_Top_Rank": -0.0933522, "Placenta_Crossing_L1000_Similarity": 1.86703, "Placenta_Crossing_Structural_Similarity": 0.0601014, "Placenta_Crossing_Weighted_Contribution": 0.871855, "Placenta_Crossing_Top_Rank": 0.0133188, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl", "InChI_key": "TXCGAZHTZHNUAI-UHFFFAOYSA-N" } }, "CID:32798": { "type": "Drug", "properties": { "id": "CID:32798", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID32798", "label": "clobetasol propionate", "FDA_Category_D_L1000_Similarity": -0.040086, "FDA_Category_D_Structural_Similarity": 0.682618, "FDA_Category_D_Weighted_Contribution": 0.536805, "FDA_Category_D_Top_Rank": -0.064798, "FDA_Category_X_L1000_Similarity": 0.0892602, "FDA_Category_X_Structural_Similarity": 3.68487, "FDA_Category_X_Weighted_Contribution": 3.57654, "FDA_Category_X_Top_Rank": 0.428173, "FDA_Category_D_and_X_L1000_Similarity": -0.00743964, "FDA_Category_D_and_X_Structural_Similarity": 2.53014, "FDA_Category_D_and_X_Weighted_Contribution": 2.42415, "FDA_Category_D_and_X_Top_Rank": 0.111204, "Placenta_Crossing_L1000_Similarity": -0.487218, "Placenta_Crossing_Structural_Similarity": 0.786142, "Placenta_Crossing_Weighted_Contribution": 0.382397, "Placenta_Crossing_Top_Rank": -0.0599778, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl", "InChI_key": "CBGUOGMQLZIXBE-XGQKBEPLSA-N" } }, "CID:44462760": { "type": "Drug", "properties": { "id": "CID:44462760", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID44462760", "label": "dabrafenib", "FDA_Category_D_L1000_Similarity": -0.35834, "FDA_Category_D_Structural_Similarity": -0.259852, "FDA_Category_D_Weighted_Contribution": -0.514278, "FDA_Category_D_Top_Rank": -0.0906509, "FDA_Category_X_L1000_Similarity": -0.748225, "FDA_Category_X_Structural_Similarity": -0.649268, "FDA_Category_X_Weighted_Contribution": -0.946075, "FDA_Category_X_Top_Rank": -0.0907615, "FDA_Category_D_and_X_L1000_Similarity": -0.536116, "FDA_Category_D_and_X_Structural_Similarity": -0.556591, "FDA_Category_D_and_X_Weighted_Contribution": -0.801293, "FDA_Category_D_and_X_Top_Rank": -0.0944616, "Placenta_Crossing_L1000_Similarity": -0.843689, "Placenta_Crossing_Structural_Similarity": -0.325339, "Placenta_Crossing_Weighted_Contribution": -0.7371, "Placenta_Crossing_Top_Rank": -0.0878586, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F", "InChI_key": "BFSMGDJOXZAERB-UHFFFAOYSA-N" } }, "CID:49843020": { "type": "Drug", "properties": { "id": "CID:49843020", "label": "cam-9-021", "lsm": "LSM-2100", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49843020", "FDA_Category_D_L1000_Similarity": 0.524774, "FDA_Category_D_Structural_Similarity": -0.176795, "FDA_Category_D_Weighted_Contribution": 0.00799331, "FDA_Category_D_Top_Rank": -0.0846793, "FDA_Category_X_L1000_Similarity": 1.91559, "FDA_Category_X_Structural_Similarity": 0.0127033, "FDA_Category_X_Weighted_Contribution": 0.899237, "FDA_Category_X_Top_Rank": -0.002553, "FDA_Category_D_and_X_L1000_Similarity": 1.03409, "FDA_Category_D_and_X_Structural_Similarity": -0.13347, "FDA_Category_D_and_X_Weighted_Contribution": 0.286878, "FDA_Category_D_and_X_Top_Rank": -0.0669763, "Placenta_Crossing_L1000_Similarity": 1.20738, "Placenta_Crossing_Structural_Similarity": 0.0525427, "Placenta_Crossing_Weighted_Contribution": 0.511356, "Placenta_Crossing_Top_Rank": -0.0613146, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F", "InChI_key": "QZGZJXQISXQUBP-JVKDHZECSA-N" } }, "CID:60750": { "type": "Drug", "properties": { "id": "CID:60750", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60750", "label": "gemcitabine", "FDA_Category_D_L1000_Similarity": 0.402395, "FDA_Category_D_Structural_Similarity": 0.919302, "FDA_Category_D_Weighted_Contribution": 1.06954, "FDA_Category_D_Top_Rank": -0.0543849, "FDA_Category_X_L1000_Similarity": -3.48175, "FDA_Category_X_Structural_Similarity": -0.682668, "FDA_Category_X_Weighted_Contribution": -1.61633, "FDA_Category_X_Top_Rank": -0.0918212, "FDA_Category_D_and_X_L1000_Similarity": -0.710478, "FDA_Category_D_and_X_Structural_Similarity": 0.361298, "FDA_Category_D_and_X_Weighted_Contribution": -0.166073, "FDA_Category_D_and_X_Top_Rank": -0.0780351, "Placenta_Crossing_L1000_Similarity": -2.61539, "Placenta_Crossing_Structural_Similarity": 0.84343, "Placenta_Crossing_Weighted_Contribution": -0.538817, "Placenta_Crossing_Top_Rank": -0.0578871, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F", "InChI_key": "SDUQYLNIPVEERB-QPPQHZFASA-N" } }, "CID:755673": { "type": "Drug", "properties": { "id": "CID:755673", "label": "mw-stk33-4c", "lsm": "LSM-2050", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/755673", "FDA_Category_D_L1000_Similarity": 1.53789, "FDA_Category_D_Structural_Similarity": -0.793052, "FDA_Category_D_Weighted_Contribution": -0.0136869, "FDA_Category_D_Top_Rank": -0.00022184, "FDA_Category_X_L1000_Similarity": 0.0678294, "FDA_Category_X_Structural_Similarity": -0.359108, "FDA_Category_X_Weighted_Contribution": -0.416296, "FDA_Category_X_Top_Rank": -0.0870902, "FDA_Category_D_and_X_L1000_Similarity": 1.34629, "FDA_Category_D_and_X_Structural_Similarity": -0.823229, "FDA_Category_D_and_X_Weighted_Contribution": -0.193805, "FDA_Category_D_and_X_Top_Rank": -0.0430448, "Placenta_Crossing_L1000_Similarity": 2.30555, "Placenta_Crossing_Structural_Similarity": -0.804929, "Placenta_Crossing_Weighted_Contribution": 0.208644, "Placenta_Crossing_Top_Rank": 0.158298, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2=C(C(=O)NC1)OC3=C2C=C(C=C3)O", "InChI_key": "AACFPJSJOWQNBN-UHFFFAOYSA-N" } }, "CID:9840076": { "type": "Drug", "properties": { "id": "CID:9840076", "label": "ag-14361", "lsm": "LSM-1988", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9840076", "FDA_Category_D_L1000_Similarity": 0.987168, "FDA_Category_D_Structural_Similarity": 0.0569228, "FDA_Category_D_Weighted_Contribution": 0.511555, "FDA_Category_D_Top_Rank": -0.0659401, "FDA_Category_X_L1000_Similarity": -1.21767, "FDA_Category_X_Structural_Similarity": -0.618711, "FDA_Category_X_Weighted_Contribution": -1.07454, "FDA_Category_X_Top_Rank": -0.0912675, "FDA_Category_D_and_X_L1000_Similarity": 0.481166, "FDA_Category_D_and_X_Structural_Similarity": -0.288674, "FDA_Category_D_and_X_Weighted_Contribution": -0.15013, "FDA_Category_D_and_X_Top_Rank": -0.0859898, "Placenta_Crossing_L1000_Similarity": 0.593715, "Placenta_Crossing_Structural_Similarity": 0.027712, "Placenta_Crossing_Weighted_Contribution": 0.17369, "Placenta_Crossing_Top_Rank": -0.0811253, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O", "InChI_key": "SEKJSSBJKFLZIT-UHFFFAOYSA-N" } }, "CID:9884685": { "type": "Drug", "properties": { "id": "CID:9884685", "label": "pi-103", "lsm": "LSM-1126", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9884685", "FDA_Category_D_L1000_Similarity": -2.36908, "FDA_Category_D_Structural_Similarity": 0.209616, "FDA_Category_D_Weighted_Contribution": -1.00392, "FDA_Category_D_Top_Rank": -0.079655, "FDA_Category_X_L1000_Similarity": 0.0830243, "FDA_Category_X_Structural_Similarity": -0.203443, "FDA_Category_X_Weighted_Contribution": -0.272228, "FDA_Category_X_Top_Rank": -0.0846462, "FDA_Category_D_and_X_L1000_Similarity": -2.01697, "FDA_Category_D_and_X_Structural_Similarity": 0.056598, "FDA_Category_D_and_X_Weighted_Contribution": -0.938842, "FDA_Category_D_and_X_Top_Rank": -0.085178, "Placenta_Crossing_L1000_Similarity": -1.4238, "Placenta_Crossing_Structural_Similarity": 0.406893, "Placenta_Crossing_Weighted_Contribution": -0.405355, "Placenta_Crossing_Top_Rank": -0.0722935, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O", "InChI_key": "TUVCWJQQGGETHL-UHFFFAOYSA-N" } }, "CID:2333": { "type": "Drug", "properties": { "id": "CID:2333", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2333", "label": "benzbromarone", "ref": "LSM-2239", "FDA_Category_D_L1000_Similarity": 0.413336, "FDA_Category_D_Structural_Similarity": 1.37181, "FDA_Category_D_Weighted_Contribution": 1.57066, "FDA_Category_D_Top_Rank": -0.0297936, "FDA_Category_X_L1000_Similarity": 1.66368, "FDA_Category_X_Structural_Similarity": 0.191574, "FDA_Category_X_Weighted_Contribution": 0.958854, "FDA_Category_X_Top_Rank": -0.0339046, "FDA_Category_D_and_X_L1000_Similarity": 0.861529, "FDA_Category_D_and_X_Structural_Similarity": 1.19219, "FDA_Category_D_and_X_Weighted_Contribution": 1.57698, "FDA_Category_D_and_X_Top_Rank": -0.0400152, "Placenta_Crossing_L1000_Similarity": 1.83847, "Placenta_Crossing_Structural_Similarity": 1.07628, "Placenta_Crossing_Weighted_Contribution": 1.94092, "Placenta_Crossing_Top_Rank": 0.00701975, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br", "InChI_key": "WHQCHUCQKNIQEC-UHFFFAOYSA-N" } }, "CID:46911863": { "type": "Drug", "properties": { "id": "CID:46911863", "label": "jnj-38877605", "lsm": "LSM-1157", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/46911863", "FDA_Category_D_L1000_Similarity": 0.769879, "FDA_Category_D_Structural_Similarity": -0.727101, "FDA_Category_D_Weighted_Contribution": -0.356316, "FDA_Category_D_Top_Rank": -0.0771009, "FDA_Category_X_L1000_Similarity": 1.84305, "FDA_Category_X_Structural_Similarity": -0.549193, "FDA_Category_X_Weighted_Contribution": 0.248605, "FDA_Category_X_Top_Rank": -0.0140729, "FDA_Category_D_and_X_L1000_Similarity": 1.22335, "FDA_Category_D_and_X_Structural_Similarity": -0.873452, "FDA_Category_D_and_X_Weighted_Contribution": -0.296193, "FDA_Category_D_and_X_Top_Rank": -0.0532871, "Placenta_Crossing_L1000_Similarity": 0.778407, "Placenta_Crossing_Structural_Similarity": -0.955583, "Placenta_Crossing_Weighted_Contribution": -0.597657, "Placenta_Crossing_Top_Rank": -0.0769407, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2", "InChI_key": "JRWCBEOAFGHNNU-UHFFFAOYSA-N" } }, "CID:6291": { "type": "Drug", "properties": { "id": "CID:6291", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6291", "label": "mestranol", "FDA_Category_D_L1000_Similarity": 2.10092, "FDA_Category_D_Structural_Similarity": 0.124867, "FDA_Category_D_Weighted_Contribution": 1.28863, "FDA_Category_D_Top_Rank": 0.284866, "FDA_Category_X_L1000_Similarity": 2.92525, "FDA_Category_X_Structural_Similarity": 9.4823, "FDA_Category_X_Weighted_Contribution": 4.71657, "FDA_Category_X_Top_Rank": 4.07064, "FDA_Category_D_and_X_L1000_Similarity": 2.69938, "FDA_Category_D_and_X_Structural_Similarity": 5.21572, "FDA_Category_D_and_X_Weighted_Contribution": 4.24264, "FDA_Category_D_and_X_Top_Rank": 1.40797, "Placenta_Crossing_L1000_Similarity": 3.42134, "Placenta_Crossing_Structural_Similarity": -0.104213, "Placenta_Crossing_Weighted_Contribution": 1.54446, "Placenta_Crossing_Top_Rank": 3.28591, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC", "InChI_key": "IMSSROKUHAOUJS-MJCUULBUSA-N" } }, "CID:84008": { "type": "Drug", "properties": { "id": "CID:84008", "label": "fit", "lsm": "LSM-2391", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/84008", "FDA_Category_D_L1000_Similarity": -2.49104, "FDA_Category_D_Structural_Similarity": -0.16788, "FDA_Category_D_Weighted_Contribution": -1.24465, "FDA_Category_D_Top_Rank": -0.08884, "FDA_Category_X_L1000_Similarity": 2.32307, "FDA_Category_X_Structural_Similarity": 0.50095, "FDA_Category_X_Weighted_Contribution": 1.68587, "FDA_Category_X_Top_Rank": 0.084503, "FDA_Category_D_and_X_L1000_Similarity": -1.44183, "FDA_Category_D_and_X_Structural_Similarity": 0.137062, "FDA_Category_D_and_X_Weighted_Contribution": -0.67323, "FDA_Category_D_and_X_Top_Rank": -0.0831476, "Placenta_Crossing_L1000_Similarity": -2.21923, "Placenta_Crossing_Structural_Similarity": -0.093931, "Placenta_Crossing_Weighted_Contribution": -1.03261, "Placenta_Crossing_Top_Rank": -0.0840691, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3", "InChI_key": "VDKBIFPJULZUPU-UHFFFAOYSA-N" } }, "CID:9966051": { "type": "Drug", "properties": { "id": "CID:9966051", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9966051", "label": "vortioxetine", "FDA_Category_D_L1000_Similarity": 0.930324, "FDA_Category_D_Structural_Similarity": -0.619038, "FDA_Category_D_Weighted_Contribution": -0.180625, "FDA_Category_D_Top_Rank": -0.0697069, "FDA_Category_X_L1000_Similarity": 1.50476, "FDA_Category_X_Structural_Similarity": 0.40154, "FDA_Category_X_Weighted_Contribution": 1.10688, "FDA_Category_X_Top_Rank": -0.0467402, "FDA_Category_D_and_X_L1000_Similarity": 1.25893, "FDA_Category_D_and_X_Structural_Similarity": -0.274669, "FDA_Category_D_and_X_Weighted_Contribution": 0.271928, "FDA_Category_D_and_X_Top_Rank": -0.0507971, "Placenta_Crossing_L1000_Similarity": -0.395487, "Placenta_Crossing_Structural_Similarity": 0.204169, "Placenta_Crossing_Weighted_Contribution": -0.131353, "Placenta_Crossing_Top_Rank": -0.0775877, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C", "InChI_key": "YQNWZWMKLDQSAC-UHFFFAOYSA-N" } }, "CID:1048267": { "type": "Drug", "properties": { "id": "CID:1048267", "label": "brd-k59036917", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1048267", "FDA_Category_D_L1000_Similarity": 2.13554, "FDA_Category_D_Structural_Similarity": -0.709461, "FDA_Category_D_Weighted_Contribution": 0.414227, "FDA_Category_D_Top_Rank": 0.322229, "FDA_Category_X_L1000_Similarity": 1.33533, "FDA_Category_X_Structural_Similarity": -0.512397, "FDA_Category_X_Weighted_Contribution": 0.028649, "FDA_Category_X_Top_Rank": -0.0570308, "FDA_Category_D_and_X_L1000_Similarity": 2.24638, "FDA_Category_D_and_X_Structural_Similarity": -0.839596, "FDA_Category_D_and_X_Weighted_Contribution": 0.26072, "FDA_Category_D_and_X_Top_Rank": 0.253593, "Placenta_Crossing_L1000_Similarity": 2.42969, "Placenta_Crossing_Structural_Similarity": -0.0864225, "Placenta_Crossing_Weighted_Contribution": 1.02112, "Placenta_Crossing_Top_Rank": 0.229842, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br", "InChI_key": "DFOVLSMXPWPCFH-UHFFFAOYSA-N" } }, "CID:11404337": { "type": "Drug", "properties": { "id": "CID:11404337", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11404337", "label": "obatoclax", "FDA_Category_D_L1000_Similarity": -2.10124, "FDA_Category_D_Structural_Similarity": 0.434349, "FDA_Category_D_Weighted_Contribution": -0.757327, "FDA_Category_D_Top_Rank": -0.0733475, "FDA_Category_X_L1000_Similarity": 1.50808, "FDA_Category_X_Structural_Similarity": -0.182493, "FDA_Category_X_Weighted_Contribution": 0.45883, "FDA_Category_X_Top_Rank": -0.0464969, "FDA_Category_D_and_X_L1000_Similarity": -1.35333, "FDA_Category_D_and_X_Structural_Similarity": 0.246276, "FDA_Category_D_and_X_Weighted_Contribution": -0.556346, "FDA_Category_D_and_X_Top_Rank": -0.0806665, "Placenta_Crossing_L1000_Similarity": -2.79284, "Placenta_Crossing_Structural_Similarity": -0.240644, "Placenta_Crossing_Weighted_Contribution": -1.25849, "Placenta_Crossing_Top_Rank": -0.0865752, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC\\1=CC(=NC1=C\\c2[nH]c(C)cc2C)c3[nH]c4ccccc4c3", "InChI_key": "RFTSSZJZXOSICM-GRSHGNNSSA-N" } }, "CID:134778": { "type": "Drug", "properties": { "id": "CID:134778", "label": "brd-k66782112", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/134778", "FDA_Category_D_L1000_Similarity": 1.10739, "FDA_Category_D_Structural_Similarity": -0.286016, "FDA_Category_D_Weighted_Contribution": 0.233317, "FDA_Category_D_Top_Rank": -0.0578091, "FDA_Category_X_L1000_Similarity": -0.932207, "FDA_Category_X_Structural_Similarity": -0.655672, "FDA_Category_X_Weighted_Contribution": -1.00943, "FDA_Category_X_Top_Rank": -0.0911523, "FDA_Category_D_and_X_L1000_Similarity": 0.671494, "FDA_Category_D_and_X_Structural_Similarity": -0.580813, "FDA_Category_D_and_X_Weighted_Contribution": -0.310264, "FDA_Category_D_and_X_Top_Rank": -0.0819178, "Placenta_Crossing_L1000_Similarity": 0.688789, "Placenta_Crossing_Structural_Similarity": -0.768571, "Placenta_Crossing_Weighted_Contribution": -0.488685, "Placenta_Crossing_Top_Rank": -0.0791587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N", "InChI_key": "ALCSGJCIESECFD-UHFFFAOYSA-N" } }, "CID:19103": { "type": "Drug", "properties": { "id": "CID:19103", "label": "nsc-3852", "lsm": "LSM-2275", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/19103", "FDA_Category_D_L1000_Similarity": -2.80542, "FDA_Category_D_Structural_Similarity": 2.50953, "FDA_Category_D_Weighted_Contribution": 0.757011, "FDA_Category_D_Top_Rank": 0.13318, "FDA_Category_X_L1000_Similarity": -3.09739, "FDA_Category_X_Structural_Similarity": 0.00625464, "FDA_Category_X_Weighted_Contribution": -1.25064, "FDA_Category_X_Top_Rank": -0.0796097, "FDA_Category_D_and_X_L1000_Similarity": -3.35894, "FDA_Category_D_and_X_Structural_Similarity": 1.99522, "FDA_Category_D_and_X_Weighted_Contribution": -0.0316739, "FDA_Category_D_and_X_Top_Rank": 0.0343214, "Placenta_Crossing_L1000_Similarity": -3.22777, "Placenta_Crossing_Structural_Similarity": 1.80807, "Placenta_Crossing_Weighted_Contribution": 0.0222787, "Placenta_Crossing_Top_Rank": 0.0121795, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=CC(=C2N=C1)O)N=O", "InChI_key": "RZWRYPGAUIOOMK-UHFFFAOYSA-N" } }, "CID:214347": { "type": "Drug", "properties": { "id": "CID:214347", "label": "dapivirine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/214347", "FDA_Category_D_L1000_Similarity": 0.06786, "FDA_Category_D_Structural_Similarity": 1.57897, "FDA_Category_D_Weighted_Contribution": 1.57591, "FDA_Category_D_Top_Rank": -0.00868481, "FDA_Category_X_L1000_Similarity": 1.89484, "FDA_Category_X_Structural_Similarity": -0.528594, "FDA_Category_X_Weighted_Contribution": 0.297035, "FDA_Category_X_Top_Rank": -0.00657527, "FDA_Category_D_and_X_L1000_Similarity": 0.633912, "FDA_Category_D_and_X_Structural_Similarity": 0.96802, "FDA_Category_D_and_X_Weighted_Contribution": 1.20198, "FDA_Category_D_and_X_Top_Rank": -0.0550745, "Placenta_Crossing_L1000_Similarity": 1.02482, "Placenta_Crossing_Structural_Similarity": 2.30515, "Placenta_Crossing_Weighted_Contribution": 2.71198, "Placenta_Crossing_Top_Rank": 0.063309, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C", "InChI_key": "ILAYIAGXTHKHNT-UHFFFAOYSA-N" } }, "CID:2375": { "type": "Drug", "properties": { "id": "CID:2375", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2375", "label": "bicalutamide", "FDA_Category_D_L1000_Similarity": 0.799773, "FDA_Category_D_Structural_Similarity": -0.708275, "FDA_Category_D_Weighted_Contribution": -0.325512, "FDA_Category_D_Top_Rank": -0.0758519, "FDA_Category_X_L1000_Similarity": 0.866016, "FDA_Category_X_Structural_Similarity": -0.343835, "FDA_Category_X_Weighted_Contribution": -0.0362581, "FDA_Category_X_Top_Rank": -0.0752868, "FDA_Category_D_and_X_L1000_Similarity": 0.95241, "FDA_Category_D_and_X_Structural_Similarity": -0.747699, "FDA_Category_D_and_X_Weighted_Contribution": -0.318159, "FDA_Category_D_and_X_Top_Rank": -0.0716669, "Placenta_Crossing_L1000_Similarity": 1.41616, "Placenta_Crossing_Structural_Similarity": -0.881018, "Placenta_Crossing_Weighted_Contribution": -0.277352, "Placenta_Crossing_Top_Rank": -0.0470498, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O", "InChI_key": "LKJPYSCBVHEWIU-UHFFFAOYSA-N" } }, "CID:24785538": { "type": "Drug", "properties": { "id": "CID:24785538", "label": "bms-754807", "lsm": "LSM-6218", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24785538", "FDA_Category_D_L1000_Similarity": -3.06015, "FDA_Category_D_Structural_Similarity": 2.42528, "FDA_Category_D_Weighted_Contribution": 0.50979, "FDA_Category_D_Top_Rank": 0.122059, "FDA_Category_X_L1000_Similarity": -0.38298, "FDA_Category_X_Structural_Similarity": -0.373015, "FDA_Category_X_Weighted_Contribution": -0.613904, "FDA_Category_X_Top_Rank": -0.0877594, "FDA_Category_D_and_X_L1000_Similarity": -2.7542, "FDA_Category_D_and_X_Structural_Similarity": 1.7237, "FDA_Category_D_and_X_Weighted_Contribution": 0.0307775, "FDA_Category_D_and_X_Top_Rank": 0.00695374, "Placenta_Crossing_L1000_Similarity": -2.74917, "Placenta_Crossing_Structural_Similarity": 0.880759, "Placenta_Crossing_Weighted_Contribution": -0.562254, "Placenta_Crossing_Top_Rank": -0.0561549, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F", "InChI_key": "LQVXSNNAFNGRAH-QHCPKHFHSA-N" } }, "CID:2853753": { "type": "Drug", "properties": { "id": "CID:2853753", "label": "brd-k90999434", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2853753", "FDA_Category_D_L1000_Similarity": -0.598156, "FDA_Category_D_Structural_Similarity": -0.641797, "FDA_Category_D_Weighted_Contribution": -0.888959, "FDA_Category_D_Top_Rank": -0.0954123, "FDA_Category_X_L1000_Similarity": 2.38911, "FDA_Category_X_Structural_Similarity": -0.626842, "FDA_Category_X_Weighted_Contribution": 0.455096, "FDA_Category_X_Top_Rank": 0.108878, "FDA_Category_D_and_X_L1000_Similarity": 0.209905, "FDA_Category_D_and_X_Structural_Similarity": -0.847644, "FDA_Category_D_and_X_Weighted_Contribution": -0.714747, "FDA_Category_D_and_X_Top_Rank": -0.0900789, "Placenta_Crossing_L1000_Similarity": -1.02717, "Placenta_Crossing_Structural_Similarity": -0.994481, "Placenta_Crossing_Weighted_Contribution": -1.19042, "Placenta_Crossing_Top_Rank": -0.0918552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5", "InChI_key": "JPCYSKNELCOPKJ-UHFFFAOYSA-N" } }, "CID:3052": { "type": "Drug", "properties": { "id": "CID:3052", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3052", "label": "diethylcarbamazine", "FDA_Category_D_L1000_Similarity": 0.224335, "FDA_Category_D_Structural_Similarity": -0.80383, "FDA_Category_D_Weighted_Contribution": -0.668768, "FDA_Category_D_Top_Rank": -0.0899368, "FDA_Category_X_L1000_Similarity": 0.29903, "FDA_Category_X_Structural_Similarity": -0.60977, "FDA_Category_X_Weighted_Contribution": -0.529695, "FDA_Category_X_Top_Rank": -0.0849406, "FDA_Category_D_and_X_L1000_Similarity": 0.284192, "FDA_Category_D_and_X_Structural_Similarity": -0.96704, "FDA_Category_D_and_X_Weighted_Contribution": -0.768198, "FDA_Category_D_and_X_Top_Rank": -0.0891806, "Placenta_Crossing_L1000_Similarity": 1.23222, "Placenta_Crossing_Structural_Similarity": 1.47104, "Placenta_Crossing_Weighted_Contribution": 2.02977, "Placenta_Crossing_Top_Rank": -0.0215207, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)C(=O)N1CCN(CC1)C", "InChI_key": "RCKMWOKWVGPNJF-UHFFFAOYSA-N" } }, "CID:3108": { "type": "Drug", "properties": { "id": "CID:3108", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3108", "label": "dipyridamole", "ref": "LSM-3927", "FDA_Category_D_L1000_Similarity": -0.0240827, "FDA_Category_D_Structural_Similarity": -0.820225, "FDA_Category_D_Weighted_Contribution": -0.78384, "FDA_Category_D_Top_Rank": -0.0923882, "FDA_Category_X_L1000_Similarity": -0.952753, "FDA_Category_X_Structural_Similarity": -0.634061, "FDA_Category_X_Weighted_Contribution": -1.00228, "FDA_Category_X_Top_Rank": -0.0911881, "FDA_Category_D_and_X_L1000_Similarity": -0.310095, "FDA_Category_D_and_X_Structural_Similarity": -0.99316, "FDA_Category_D_and_X_Weighted_Contribution": -0.993931, "FDA_Category_D_and_X_Top_Rank": -0.0942568, "Placenta_Crossing_L1000_Similarity": 0.924758, "Placenta_Crossing_Structural_Similarity": -1.06382, "Placenta_Crossing_Weighted_Contribution": -0.623003, "Placenta_Crossing_Top_Rank": -0.0729343, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO", "InChI_key": "IZEKFCXSFNUWAM-UHFFFAOYSA-N" } }, "CID:4037": { "type": "Drug", "properties": { "id": "CID:4037", "label": "meclofenamic acid", "lsm": "LSM-3108", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4037", "FDA_Category_D_L1000_Similarity": 0.964091, "FDA_Category_D_Structural_Similarity": -0.554805, "FDA_Category_D_Weighted_Contribution": -0.10448, "FDA_Category_D_Top_Rank": -0.0673313, "FDA_Category_X_L1000_Similarity": -0.387759, "FDA_Category_X_Structural_Similarity": -0.0322777, "FDA_Category_X_Weighted_Contribution": -0.329957, "FDA_Category_X_Top_Rank": -0.080553, "FDA_Category_D_and_X_L1000_Similarity": 0.713295, "FDA_Category_D_and_X_Structural_Similarity": -0.457773, "FDA_Category_D_and_X_Weighted_Contribution": -0.184502, "FDA_Category_D_and_X_Top_Rank": -0.0808395, "Placenta_Crossing_L1000_Similarity": 0.814491, "Placenta_Crossing_Structural_Similarity": -0.703488, "Placenta_Crossing_Weighted_Contribution": -0.384739, "Placenta_Crossing_Top_Rank": -0.0758953, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl", "InChI_key": "SBDNJUWAMKYJOX-UHFFFAOYSA-N" } }, "CID:44607592": { "type": "Drug", "properties": { "id": "CID:44607592", "label": "ku-c104140", "lsm": "LSM-2639", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44607592", "FDA_Category_D_L1000_Similarity": -0.519366, "FDA_Category_D_Structural_Similarity": -0.828771, "FDA_Category_D_Weighted_Contribution": -0.977038, "FDA_Category_D_Top_Rank": -0.0952001, "FDA_Category_X_L1000_Similarity": -0.278631, "FDA_Category_X_Structural_Similarity": -0.489719, "FDA_Category_X_Weighted_Contribution": -0.664271, "FDA_Category_X_Top_Rank": -0.0891724, "FDA_Category_D_and_X_L1000_Similarity": -0.532319, "FDA_Category_D_and_X_Structural_Similarity": -0.922057, "FDA_Category_D_and_X_Weighted_Contribution": -1.0246, "FDA_Category_D_and_X_Top_Rank": -0.0951958, "Placenta_Crossing_L1000_Similarity": -0.319418, "Placenta_Crossing_Structural_Similarity": -0.87755, "Placenta_Crossing_Weighted_Contribution": -0.925417, "Placenta_Crossing_Top_Rank": -0.0901293, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=COC=C5)C6=CC=CC=C6", "InChI_key": "QPGNQMAWRUPJPY-UHFFFAOYSA-N" } }, "CID:449459": { "type": "Drug", "properties": { "id": "CID:449459", "label": "afimoxifene", "lsm": "LSM-2071", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/449459", "drugcentral_id": "2561", "IDG_ID": "2561", "FDA_Category_D_L1000_Similarity": -0.545962, "FDA_Category_D_Structural_Similarity": 1.75456, "FDA_Category_D_Weighted_Contribution": 1.37583, "FDA_Category_D_Top_Rank": 0.0133464, "FDA_Category_X_L1000_Similarity": 3.28838, "FDA_Category_X_Structural_Similarity": 1.45603, "FDA_Category_X_Weighted_Contribution": 3.11987, "FDA_Category_X_Top_Rank": 1.1063, "FDA_Category_D_and_X_L1000_Similarity": 0.527985, "FDA_Category_D_and_X_Structural_Similarity": 2.17829, "FDA_Category_D_and_X_Weighted_Contribution": 2.37656, "FDA_Category_D_and_X_Top_Rank": 0.0591556, "Placenta_Crossing_L1000_Similarity": -1.03734, "Placenta_Crossing_Structural_Similarity": 1.99566, "Placenta_Crossing_Weighted_Contribution": 1.37033, "Placenta_Crossing_Top_Rank": 0.0315246, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3", "InChI_key": "TXUZVZSFRXZGTL-QPLCGJKRSA-N" } }, "CID:4912": { "type": "Drug", "properties": { "id": "CID:4912", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4912", "label": "probucol", "FDA_Category_D_L1000_Similarity": 1.07202, "FDA_Category_D_Structural_Similarity": -0.663023, "FDA_Category_D_Weighted_Contribution": -0.145504, "FDA_Category_D_Top_Rank": -0.060627, "FDA_Category_X_L1000_Similarity": 0.0966035, "FDA_Category_X_Structural_Similarity": -0.742285, "FDA_Category_X_Weighted_Contribution": -0.713659, "FDA_Category_X_Top_Rank": -0.0868881, "FDA_Category_D_and_X_L1000_Similarity": 0.953446, "FDA_Category_D_and_X_Structural_Similarity": -0.926784, "FDA_Category_D_and_X_Weighted_Contribution": -0.463445, "FDA_Category_D_and_X_Top_Rank": -0.0716154, "Placenta_Crossing_L1000_Similarity": 0.672854, "Placenta_Crossing_Structural_Similarity": 0.255947, "Placenta_Crossing_Weighted_Contribution": 0.441733, "Placenta_Crossing_Top_Rank": -0.0763326, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C", "InChI_key": "FYPMFJGVHOHGLL-UHFFFAOYSA-N" } }, "CID:5035": { "type": "Drug", "properties": { "id": "CID:5035", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5035", "label": "raloxifene", "FDA_Category_D_L1000_Similarity": -0.0130696, "FDA_Category_D_Structural_Similarity": 2.4383, "FDA_Category_D_Weighted_Contribution": 2.41079, "FDA_Category_D_Top_Rank": 0.122946, "FDA_Category_X_L1000_Similarity": 3.27654, "FDA_Category_X_Structural_Similarity": 2.13782, "FDA_Category_X_Weighted_Contribution": 3.60671, "FDA_Category_X_Top_Rank": 1.05506, "FDA_Category_D_and_X_L1000_Similarity": 0.98375, "FDA_Category_D_and_X_Structural_Similarity": 3.08887, "FDA_Category_D_and_X_Weighted_Contribution": 3.28247, "FDA_Category_D_and_X_Top_Rank": 0.240779, "Placenta_Crossing_L1000_Similarity": -0.707762, "Placenta_Crossing_Structural_Similarity": 0.818003, "Placenta_Crossing_Weighted_Contribution": 0.301921, "Placenta_Crossing_Top_Rank": -0.059003, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O", "InChI_key": "GZUITABIAKMVPG-UHFFFAOYSA-N" } }, "CID:51001932": { "type": "Drug", "properties": { "id": "CID:51001932", "label": "taselisib", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51001932", "FDA_Category_D_L1000_Similarity": -1.79573, "FDA_Category_D_Structural_Similarity": -0.313139, "FDA_Category_D_Weighted_Contribution": -1.11045, "FDA_Category_D_Top_Rank": -0.0916054, "FDA_Category_X_L1000_Similarity": 0.303214, "FDA_Category_X_Structural_Similarity": -0.68087, "FDA_Category_X_Weighted_Contribution": -0.585644, "FDA_Category_X_Top_Rank": -0.0849061, "FDA_Category_D_and_X_L1000_Similarity": -1.45586, "FDA_Category_D_and_X_Structural_Similarity": -0.615937, "FDA_Category_D_and_X_Weighted_Contribution": -1.1388, "FDA_Category_D_and_X_Top_Rank": -0.0948963, "Placenta_Crossing_L1000_Similarity": -0.944207, "Placenta_Crossing_Structural_Similarity": 0.28546, "Placenta_Crossing_Weighted_Contribution": -0.303773, "Placenta_Crossing_Top_Rank": -0.0754015, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C", "InChI_key": "BEUQXVWXFDOSAQ-UHFFFAOYSA-N" } }, "CID:53377419": { "type": "Drug", "properties": { "id": "CID:53377419", "label": "BG-STK33-55", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53377419", "FDA_Category_D_L1000_Similarity": 0.717595, "FDA_Category_D_Structural_Similarity": -0.783901, "FDA_Category_D_Weighted_Contribution": -0.428974, "FDA_Category_D_Top_Rank": -0.0790748, "FDA_Category_X_L1000_Similarity": 1.90533, "FDA_Category_X_Structural_Similarity": -0.570864, "FDA_Category_X_Weighted_Contribution": 0.258457, "FDA_Category_X_Top_Rank": -0.00436559, "FDA_Category_D_and_X_L1000_Similarity": 1.19719, "FDA_Category_D_and_X_Structural_Similarity": -0.930229, "FDA_Category_D_and_X_Weighted_Contribution": -0.355837, "FDA_Category_D_and_X_Top_Rank": -0.0548329, "Placenta_Crossing_L1000_Similarity": 1.90634, "Placenta_Crossing_Structural_Similarity": -0.709109, "Placenta_Crossing_Weighted_Contribution": 0.105195, "Placenta_Crossing_Top_Rank": 0.0220023, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:5368": { "type": "Drug", "properties": { "id": "CID:5368", "label": "t-0156", "lsm": "LSM-3414", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5368", "FDA_Category_D_L1000_Similarity": 1.06031, "FDA_Category_D_Structural_Similarity": -0.403278, "FDA_Category_D_Weighted_Contribution": 0.0912523, "FDA_Category_D_Top_Rank": -0.0614296, "FDA_Category_X_L1000_Similarity": -0.962656, "FDA_Category_X_Structural_Similarity": -0.273403, "FDA_Category_X_Weighted_Contribution": -0.759161, "FDA_Category_X_Top_Rank": -0.0860141, "FDA_Category_D_and_X_L1000_Similarity": 0.621664, "FDA_Category_D_and_X_Structural_Similarity": -0.467614, "FDA_Category_D_and_X_Weighted_Contribution": -0.237717, "FDA_Category_D_and_X_Top_Rank": -0.0830227, "Placenta_Crossing_L1000_Similarity": 0.787135, "Placenta_Crossing_Structural_Similarity": -0.439625, "Placenta_Crossing_Weighted_Contribution": -0.170556, "Placenta_Crossing_Top_Rank": -0.0767015, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC=CC(=C1)CN2C(=C(C3=C(C2=O)C(=NC=C3)OCC4=NC=CC=N4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC", "InChI_key": "JEMJAABFSYOLAP-UHFFFAOYSA-N" } }, "CID:5426": { "type": "Drug", "properties": { "id": "CID:5426", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5426", "label": "thalidomide", "ref": "LSM-1914", "FDA_Category_D_L1000_Similarity": 1.47122, "FDA_Category_D_Structural_Similarity": -0.900085, "FDA_Category_D_Weighted_Contribution": -0.148488, "FDA_Category_D_Top_Rank": -0.0153279, "FDA_Category_X_L1000_Similarity": 1.70352, "FDA_Category_X_Structural_Similarity": -0.669513, "FDA_Category_X_Weighted_Contribution": 0.0555211, "FDA_Category_X_Top_Rank": -0.0301366, "FDA_Category_D_and_X_L1000_Similarity": 1.78554, "FDA_Category_D_and_X_Structural_Similarity": -1.07568, "FDA_Category_D_and_X_Weighted_Contribution": -0.199233, "FDA_Category_D_and_X_Top_Rank": 0.0298697, "Placenta_Crossing_L1000_Similarity": 2.48947, "Placenta_Crossing_Structural_Similarity": -1.03332, "Placenta_Crossing_Weighted_Contribution": 0.0780824, "Placenta_Crossing_Top_Rank": 0.275107, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O", "InChI_key": "UEJJHQNACJXSKW-UHFFFAOYSA-N" } }, "CID:5452": { "type": "Drug", "properties": { "id": "CID:5452", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5452", "label": "thioridazine", "FDA_Category_D_L1000_Similarity": -1.78459, "FDA_Category_D_Structural_Similarity": 0.314111, "FDA_Category_D_Weighted_Contribution": -0.711169, "FDA_Category_D_Top_Rank": -0.0768267, "FDA_Category_X_L1000_Similarity": 1.91447, "FDA_Category_X_Structural_Similarity": 0.38866, "FDA_Category_X_Weighted_Contribution": 1.32604, "FDA_Category_X_Top_Rank": -0.00272068, "FDA_Category_D_and_X_L1000_Similarity": -0.956954, "FDA_Category_D_and_X_Structural_Similarity": 0.459034, "FDA_Category_D_and_X_Weighted_Contribution": -0.20154, "FDA_Category_D_and_X_Top_Rank": -0.0752376, "Placenta_Crossing_L1000_Similarity": -1.7804, "Placenta_Crossing_Structural_Similarity": 2.20975, "Placenta_Crossing_Weighted_Contribution": 1.19434, "Placenta_Crossing_Top_Rank": 0.0525033, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC", "InChI_key": "KLBQZWRITKRQQV-UHFFFAOYSA-N" } }, "CID:5467485": { "type": "Drug", "properties": { "id": "CID:5467485", "label": "ag-592", "lsm": "LSM-4016", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5467485", "FDA_Category_D_L1000_Similarity": -3.10551, "FDA_Category_D_Structural_Similarity": -0.232207, "FDA_Category_D_Weighted_Contribution": -1.42783, "FDA_Category_D_Top_Rank": -0.0901339, "FDA_Category_X_L1000_Similarity": -2.45505, "FDA_Category_X_Structural_Similarity": 0.0426968, "FDA_Category_X_Weighted_Contribution": -1.04895, "FDA_Category_X_Top_Rank": -0.0787374, "FDA_Category_D_and_X_L1000_Similarity": -3.42255, "FDA_Category_D_and_X_Structural_Similarity": -0.161267, "FDA_Category_D_and_X_Weighted_Contribution": -1.4228, "FDA_Category_D_and_X_Top_Rank": -0.0895074, "Placenta_Crossing_L1000_Similarity": -3.88101, "Placenta_Crossing_Structural_Similarity": -0.586754, "Placenta_Crossing_Weighted_Contribution": -1.58975, "Placenta_Crossing_Top_Rank": -0.0904419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CCC1CC2CCC(CC2)NC(=O)C(=CC3=CC(=C(C=C3)O)O)C#N)NC(=O)C(=CC4=CC(=C(C=C4)O)O)C#N", "InChI_key": "VEPQEAOWDILSHB-KOJZRSEWSA-N" } }, "CID:65937": { "type": "Drug", "properties": { "id": "CID:65937", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID65937", "label": "dexloxiglumide", "FDA_Category_D_L1000_Similarity": 1.03631, "FDA_Category_D_Structural_Similarity": -0.207303, "FDA_Category_D_Weighted_Contribution": 0.27039, "FDA_Category_D_Top_Rank": -0.0632263, "FDA_Category_X_L1000_Similarity": -1.12257, "FDA_Category_X_Structural_Similarity": 0.383788, "FDA_Category_X_Weighted_Contribution": -0.286725, "FDA_Category_X_Top_Rank": -0.0665274, "FDA_Category_D_and_X_L1000_Similarity": 0.552402, "FDA_Category_D_and_X_Structural_Similarity": 0.0425515, "FDA_Category_D_and_X_Weighted_Contribution": 0.194885, "FDA_Category_D_and_X_Top_Rank": -0.0846515, "Placenta_Crossing_L1000_Similarity": 0.249436, "Placenta_Crossing_Structural_Similarity": 0.923032, "Placenta_Crossing_Weighted_Contribution": 0.917203, "Placenta_Crossing_Top_Rank": -0.05376, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl", "InChI_key": "QNQZBKQEIFTHFZ-GOSISDBHSA-N" } }, "CID:2159": { "type": "Drug", "properties": { "id": "CID:2159", "label": "amisulpride", "lsm": "LSM-1669", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2159", "IDG_ID": "179", "FDA_Category_D_L1000_Similarity": 2.30182, "FDA_Category_D_Structural_Similarity": -0.781347, "FDA_Category_D_Weighted_Contribution": 0.440499, "FDA_Category_D_Top_Rank": 0.482824, "FDA_Category_X_L1000_Similarity": 1.0456, "FDA_Category_X_Structural_Similarity": -0.693972, "FDA_Category_X_Weighted_Contribution": -0.28023, "FDA_Category_X_Top_Rank": -0.0701277, "FDA_Category_D_and_X_L1000_Similarity": 2.30174, "FDA_Category_D_and_X_Structural_Similarity": -0.99463, "FDA_Category_D_and_X_Weighted_Contribution": 0.140368, "FDA_Category_D_and_X_Top_Rank": 0.287558, "Placenta_Crossing_L1000_Similarity": 2.83763, "Placenta_Crossing_Structural_Similarity": -0.892983, "Placenta_Crossing_Weighted_Contribution": 0.390093, "Placenta_Crossing_Top_Rank": 0.643424, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC", "InChI_key": "NTJOBXMMWNYJFB-UHFFFAOYSA-N" } }, "CID:24086306": { "type": "Drug", "properties": { "id": "CID:24086306", "label": "i-070759", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24086306", "FDA_Category_D_L1000_Similarity": -2.38399, "FDA_Category_D_Structural_Similarity": 0.751922, "FDA_Category_D_Weighted_Contribution": -0.647853, "FDA_Category_D_Top_Rank": -0.0622607, "FDA_Category_X_L1000_Similarity": -2.51638, "FDA_Category_X_Structural_Similarity": 0.521217, "FDA_Category_X_Weighted_Contribution": -0.74653, "FDA_Category_X_Top_Rank": -0.061096, "FDA_Category_D_and_X_L1000_Similarity": -2.81921, "FDA_Category_D_and_X_Structural_Similarity": 0.878057, "FDA_Category_D_and_X_Weighted_Contribution": -0.69532, "FDA_Category_D_and_X_Top_Rank": -0.0595113, "Placenta_Crossing_L1000_Similarity": -3.25636, "Placenta_Crossing_Structural_Similarity": 1.64553, "Placenta_Crossing_Weighted_Contribution": -0.140322, "Placenta_Crossing_Top_Rank": -0.00807981, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1CC=CCC(C(=O)OC2C(C(C(OC2OC)CO)OC(=O)NC3=CC=C(C=C3)Br)OC1=O)C(=O)OCC", "InChI_key": "DDKYFPOWKUAQCP-BTMVTRJRSA-N" } }, "CID:3333": { "type": "Drug", "properties": { "id": "CID:3333", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3333", "label": "felodipine", "FDA_Category_D_L1000_Similarity": 1.56576, "FDA_Category_D_Structural_Similarity": 1.96308, "FDA_Category_D_Weighted_Contribution": 2.81445, "FDA_Category_D_Top_Rank": 0.0418776, "FDA_Category_X_L1000_Similarity": 0.766695, "FDA_Category_X_Structural_Similarity": -0.595785, "FDA_Category_X_Weighted_Contribution": -0.317342, "FDA_Category_X_Top_Rank": -0.0777855, "FDA_Category_D_and_X_L1000_Similarity": 1.58254, "FDA_Category_D_and_X_Structural_Similarity": 1.23664, "FDA_Category_D_and_X_Weighted_Contribution": 2.03899, "FDA_Category_D_and_X_Top_Rank": -0.0101331, "Placenta_Crossing_L1000_Similarity": 0.751218, "Placenta_Crossing_Structural_Similarity": 1.04643, "Placenta_Crossing_Weighted_Contribution": 1.32513, "Placenta_Crossing_Top_Rank": -0.0479091, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C", "InChI_key": "RZTAMFZIAATZDJ-UHFFFAOYSA-N" } }, "CID:44632017": { "type": "Drug", "properties": { "id": "CID:44632017", "label": "yk-4279", "lsm": "LSM-4933", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44632017", "FDA_Category_D_L1000_Similarity": 1.62466, "FDA_Category_D_Structural_Similarity": -0.776543, "FDA_Category_D_Weighted_Contribution": 0.0501427, "FDA_Category_D_Top_Rank": 0.0208936, "FDA_Category_X_L1000_Similarity": 1.82103, "FDA_Category_X_Structural_Similarity": -0.739266, "FDA_Category_X_Weighted_Contribution": 0.044649, "FDA_Category_X_Top_Rank": -0.0159765, "FDA_Category_D_and_X_L1000_Similarity": 1.95349, "FDA_Category_D_and_X_Structural_Similarity": -1.01526, "FDA_Category_D_and_X_Weighted_Contribution": -0.0613899, "FDA_Category_D_and_X_Top_Rank": 0.0780873, "Placenta_Crossing_L1000_Similarity": 2.22204, "Placenta_Crossing_Structural_Similarity": -0.960987, "Placenta_Crossing_Weighted_Contribution": 0.0182172, "Placenta_Crossing_Top_Rank": 0.121787, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O", "InChI_key": "HLXSCTYHLQHQDJ-UHFFFAOYSA-N" } }, "CID:4740": { "type": "Drug", "properties": { "id": "CID:4740", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4740", "label": "pentoxifylline", "ref": "LSM-3285", "FDA_Category_D_L1000_Similarity": 3.23225, "FDA_Category_D_Structural_Similarity": 0.195934, "FDA_Category_D_Weighted_Contribution": 2.07243, "FDA_Category_D_Top_Rank": 11.3816, "FDA_Category_X_L1000_Similarity": 2.56566, "FDA_Category_X_Structural_Similarity": -0.294879, "FDA_Category_X_Weighted_Contribution": 0.919209, "FDA_Category_X_Top_Rank": 0.199796, "FDA_Category_D_and_X_L1000_Similarity": 3.56539, "FDA_Category_D_and_X_Structural_Similarity": -0.00360008, "FDA_Category_D_and_X_Weighted_Contribution": 1.90927, "FDA_Category_D_and_X_Top_Rank": 19.0364, "Placenta_Crossing_L1000_Similarity": 2.25259, "Placenta_Crossing_Structural_Similarity": 3.97615, "Placenta_Crossing_Weighted_Contribution": 3.97712, "Placenta_Crossing_Top_Rank": 0.490236, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C", "InChI_key": "BYPFEZZEUUWMEJ-UHFFFAOYSA-N" } }, "CID:5311510": { "type": "Drug", "properties": { "id": "CID:5311510", "label": "hy-11007", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5311510", "FDA_Category_D_L1000_Similarity": 1.17435, "FDA_Category_D_Structural_Similarity": -0.431978, "FDA_Category_D_Weighted_Contribution": 0.128176, "FDA_Category_D_Top_Rank": -0.0511645, "FDA_Category_X_L1000_Similarity": 0.978498, "FDA_Category_X_Structural_Similarity": -0.58326, "FDA_Category_X_Weighted_Contribution": -0.209795, "FDA_Category_X_Top_Rank": -0.0720321, "FDA_Category_D_and_X_L1000_Similarity": 1.30946, "FDA_Category_D_and_X_Structural_Similarity": -0.657591, "FDA_Category_D_and_X_Weighted_Contribution": -0.0644434, "FDA_Category_D_and_X_Top_Rank": -0.0460804, "Placenta_Crossing_L1000_Similarity": 2.64584, "Placenta_Crossing_Structural_Similarity": -0.768474, "Placenta_Crossing_Weighted_Contribution": 0.417745, "Placenta_Crossing_Top_Rank": 0.417367, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F", "InChI_key": "WEVYNIUIFUYDGI-UHFFFAOYSA-N" } }, "CID:9951687": { "type": "Drug", "properties": { "id": "CID:9951687", "label": "methyl-fasudil", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9951687", "FDA_Category_D_L1000_Similarity": 0.965458, "FDA_Category_D_Structural_Similarity": -0.746584, "FDA_Category_D_Weighted_Contribution": -0.274989, "FDA_Category_D_Top_Rank": -0.0672418, "FDA_Category_X_L1000_Similarity": 1.1498, "FDA_Category_X_Structural_Similarity": -0.609087, "FDA_Category_X_Weighted_Contribution": -0.154003, "FDA_Category_X_Top_Rank": -0.0663625, "FDA_Category_D_and_X_L1000_Similarity": 1.18141, "FDA_Category_D_and_X_Structural_Similarity": -0.921234, "FDA_Category_D_and_X_Weighted_Contribution": -0.355715, "FDA_Category_D_and_X_Top_Rank": -0.0562092, "Placenta_Crossing_L1000_Similarity": 0.894548, "Placenta_Crossing_Structural_Similarity": 2.10928, "Placenta_Crossing_Weighted_Contribution": 2.48079, "Placenta_Crossing_Top_Rank": 0.0423174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:24857885": { "type": "Drug", "properties": { "id": "CID:24857885", "label": "ptb1", "lsm": "LSM-6222", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24857885", "FDA_Category_D_L1000_Similarity": 1.11631, "FDA_Category_D_Structural_Similarity": -0.722713, "FDA_Category_D_Weighted_Contribution": -0.175931, "FDA_Category_D_Top_Rank": -0.0567848, "FDA_Category_X_L1000_Similarity": 0.127611, "FDA_Category_X_Structural_Similarity": -0.749923, "FDA_Category_X_Weighted_Contribution": -0.707719, "FDA_Category_X_Top_Rank": -0.0866192, "FDA_Category_D_and_X_L1000_Similarity": 1.00103, "FDA_Category_D_and_X_Structural_Similarity": -0.978283, "FDA_Category_D_and_X_Weighted_Contribution": -0.482976, "FDA_Category_D_and_X_Top_Rank": -0.0690878, "Placenta_Crossing_L1000_Similarity": 1.86704, "Placenta_Crossing_Structural_Similarity": -1.08902, "Placenta_Crossing_Weighted_Contribution": -0.25951, "Placenta_Crossing_Top_Rank": 0.0135494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=CC(=C(C=C2C=C1C#N)C(F)(F)P(=O)(O)O)Br", "InChI_key": "BWJOQFMMTKEZGA-UHFFFAOYSA-N" } }, "CID:25021165": { "type": "Drug", "properties": { "id": "CID:25021165", "label": "jzl-184", "lsm": "LSM-6246", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25021165", "FDA_Category_D_L1000_Similarity": 0.997178, "FDA_Category_D_Structural_Similarity": 0.503029, "FDA_Category_D_Weighted_Contribution": 0.995365, "FDA_Category_D_Top_Rank": -0.0655014, "FDA_Category_X_L1000_Similarity": 1.47645, "FDA_Category_X_Structural_Similarity": -0.350603, "FDA_Category_X_Weighted_Contribution": 0.264325, "FDA_Category_X_Top_Rank": -0.0485161, "FDA_Category_D_and_X_L1000_Similarity": 1.30796, "FDA_Category_D_and_X_Structural_Similarity": 0.210077, "FDA_Category_D_and_X_Weighted_Contribution": 0.796696, "FDA_Category_D_and_X_Top_Rank": -0.0462495, "Placenta_Crossing_L1000_Similarity": 2.13045, "Placenta_Crossing_Structural_Similarity": 0.202734, "Placenta_Crossing_Weighted_Contribution": 1.16946, "Placenta_Crossing_Top_Rank": 0.0846055, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]", "InChI_key": "SEGYOKHGGFKMCX-UHFFFAOYSA-N" } }, "CID:3270699": { "type": "Drug", "properties": { "id": "CID:3270699", "label": "rhodomyrtoxin-b", "lsm": "LSM-1285", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3270699", "FDA_Category_D_L1000_Similarity": -3.88765, "FDA_Category_D_Structural_Similarity": -0.167667, "FDA_Category_D_Weighted_Contribution": -1.56446, "FDA_Category_D_Top_Rank": -0.0888329, "FDA_Category_X_L1000_Similarity": -3.09501, "FDA_Category_X_Structural_Similarity": 0.0246902, "FDA_Category_X_Weighted_Contribution": -1.24045, "FDA_Category_X_Top_Rank": -0.0791642, "FDA_Category_D_and_X_L1000_Similarity": -4.29112, "FDA_Category_D_and_X_Structural_Similarity": -0.119757, "FDA_Category_D_and_X_Weighted_Contribution": -1.56851, "FDA_Category_D_and_X_Top_Rank": -0.0887457, "Placenta_Crossing_L1000_Similarity": -5.33817, "Placenta_Crossing_Structural_Similarity": 0.501998, "Placenta_Crossing_Weighted_Contribution": -1.47955, "Placenta_Crossing_Top_Rank": -0.069339, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C)C(=O)C1=C(C2=C(C(=C1O)C)OC3=C2C(=C(C(=C3C)O)C(=O)C(C)CC)O)O", "InChI_key": "SGFCERQKVVMREN-UHFFFAOYSA-N" } }, "CID:3689415": { "type": "Drug", "properties": { "id": "CID:3689415", "label": "k784-3187", "lsm": "LSM-1515", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3689415", "FDA_Category_D_L1000_Similarity": -2.96903, "FDA_Category_D_Structural_Similarity": 0.233644, "FDA_Category_D_Weighted_Contribution": -1.18445, "FDA_Category_D_Top_Rank": -0.0789634, "FDA_Category_X_L1000_Similarity": -2.35977, "FDA_Category_X_Structural_Similarity": -0.435094, "FDA_Category_X_Weighted_Contribution": -1.2873, "FDA_Category_X_Top_Rank": -0.0887932, "FDA_Category_D_and_X_L1000_Similarity": -3.27597, "FDA_Category_D_and_X_Structural_Similarity": -0.0493283, "FDA_Category_D_and_X_Weighted_Contribution": -1.34739, "FDA_Category_D_and_X_Top_Rank": -0.0872774, "Placenta_Crossing_L1000_Similarity": -3.87031, "Placenta_Crossing_Structural_Similarity": 0.201591, "Placenta_Crossing_Weighted_Contribution": -1.30555, "Placenta_Crossing_Top_Rank": -0.0776589, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=CC(=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl", "InChI_key": "ASSYJPCLSRNQGT-UHFFFAOYSA-N" } }, "CID:448042": { "type": "Drug", "properties": { "id": "CID:448042", "label": "(r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide", "lsm": "LSM-2974", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/448042", "FDA_Category_D_L1000_Similarity": 2.67845, "FDA_Category_D_Structural_Similarity": -0.611272, "FDA_Category_D_Weighted_Contribution": 0.854466, "FDA_Category_D_Top_Rank": 1.36927, "FDA_Category_X_L1000_Similarity": 1.84266, "FDA_Category_X_Structural_Similarity": -0.70817, "FDA_Category_X_Weighted_Contribution": 0.0864068, "FDA_Category_X_Top_Rank": -0.0142025, "FDA_Category_D_and_X_L1000_Similarity": 2.86845, "FDA_Category_D_and_X_Structural_Similarity": -0.867301, "FDA_Category_D_and_X_Weighted_Contribution": 0.584877, "FDA_Category_D_and_X_Top_Rank": 1.2974, "Placenta_Crossing_L1000_Similarity": 3.75396, "Placenta_Crossing_Structural_Similarity": -0.26449, "Placenta_Crossing_Weighted_Contribution": 1.55351, "Placenta_Crossing_Top_Rank": 8.92629, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[C@@H](N)[C@@H]1CC[C@H](CC1)C(=O)Nc2ccncc2", "InChI_key": "IYOZTVGMEWJPKR-IJLUTSLNSA-N" } }, "CID:5284566": { "type": "Drug", "properties": { "id": "CID:5284566", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5284566", "label": "granisetron", "FDA_Category_D_L1000_Similarity": 0.962915, "FDA_Category_X_L1000_Similarity": -1.47571, "FDA_Category_D_and_X_L1000_Similarity": 0.381901, "Placenta_Crossing_L1000_Similarity": 0.250495, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "InChI_key": "MFWNKCLOYSRHCJ-BTTYYORXSA-N" } }, "CID:5360807": { "type": "Drug", "properties": { "id": "CID:5360807", "label": "lasalocid", "lsm": "LSM-1767", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5360807", "FDA_Category_D_L1000_Similarity": -0.759371, "FDA_Category_D_Structural_Similarity": 0.671847, "FDA_Category_D_Weighted_Contribution": 0.100478, "FDA_Category_D_Top_Rank": -0.065153, "FDA_Category_X_L1000_Similarity": -0.476024, "FDA_Category_X_Structural_Similarity": -0.239796, "FDA_Category_X_Weighted_Contribution": -0.544313, "FDA_Category_X_Top_Rank": -0.085335, "FDA_Category_D_and_X_L1000_Similarity": -0.799155, "FDA_Category_D_and_X_Structural_Similarity": 0.403861, "FDA_Category_D_and_X_Weighted_Contribution": -0.17237, "FDA_Category_D_and_X_Top_Rank": -0.0767646, "Placenta_Crossing_L1000_Similarity": -1.12519, "Placenta_Crossing_Structural_Similarity": -0.268732, "Placenta_Crossing_Weighted_Contribution": -0.79617, "Placenta_Crossing_Top_Rank": -0.086998, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O", "InChI_key": "BBMULGJBVDDDNI-OWKLGTHSSA-N" } }, "CID:637863": { "type": "Drug", "properties": { "id": "CID:637863", "label": "S-18986", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/637863", "FDA_Category_D_L1000_Similarity": 0.672469, "FDA_Category_D_Structural_Similarity": -0.473864, "FDA_Category_D_Weighted_Contribution": -0.185837, "FDA_Category_D_Top_Rank": -0.0805505, "FDA_Category_X_L1000_Similarity": 0.649493, "FDA_Category_X_Structural_Similarity": 2.76154, "FDA_Category_X_Weighted_Contribution": 3.10756, "FDA_Category_X_Top_Rank": 0.156461, "FDA_Category_D_and_X_L1000_Similarity": 0.776922, "FDA_Category_D_and_X_Structural_Similarity": 1.114, "FDA_Category_D_and_X_Weighted_Contribution": 1.44375, "FDA_Category_D_and_X_Top_Rank": -0.0451617, "Placenta_Crossing_L1000_Similarity": -0.2639, "Placenta_Crossing_Structural_Similarity": -0.909034, "Placenta_Crossing_Weighted_Contribution": -0.927471, "Placenta_Crossing_Top_Rank": -0.0898905, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9982218": { "type": "Drug", "properties": { "id": "CID:9982218", "label": "ntncb", "lsm": "LSM-1923", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9982218", "FDA_Category_D_L1000_Similarity": -2.78198, "FDA_Category_D_Structural_Similarity": 0.525789, "FDA_Category_D_Weighted_Contribution": -0.958967, "FDA_Category_D_Top_Rank": -0.0701295, "FDA_Category_X_L1000_Similarity": 2.91657, "FDA_Category_X_Structural_Similarity": -0.600187, "FDA_Category_X_Weighted_Contribution": 0.773656, "FDA_Category_X_Top_Rank": 0.433332, "FDA_Category_D_and_X_L1000_Similarity": -1.5124, "FDA_Category_D_and_X_Structural_Similarity": 0.0934677, "FDA_Category_D_and_X_Weighted_Contribution": -0.731667, "FDA_Category_D_and_X_Top_Rank": -0.0841988, "Placenta_Crossing_L1000_Similarity": -2.26489, "Placenta_Crossing_Structural_Similarity": 1.69263, "Placenta_Crossing_Weighted_Contribution": 0.387125, "Placenta_Crossing_Top_Rank": -0.00197776, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CCC1CNCC2CCC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]", "InChI_key": "ISSSVYKMIIAPTH-UHFFFAOYSA-N" } }, "CID:11703255": { "type": "Drug", "properties": { "id": "CID:11703255", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11703255", "label": "resatorvid", "FDA_Category_D_L1000_Similarity": -0.639475, "FDA_Category_D_Structural_Similarity": 0.800242, "FDA_Category_D_Weighted_Contribution": 0.296771, "FDA_Category_D_Top_Rank": -0.060564, "FDA_Category_X_L1000_Similarity": -0.136222, "FDA_Category_X_Structural_Similarity": -0.581874, "FDA_Category_X_Weighted_Contribution": -0.680329, "FDA_Category_X_Top_Rank": -0.0884288, "FDA_Category_D_and_X_L1000_Similarity": -0.592612, "FDA_Category_D_and_X_Structural_Similarity": 0.321186, "FDA_Category_D_and_X_Weighted_Contribution": -0.143086, "FDA_Category_D_and_X_Top_Rank": -0.0788771, "Placenta_Crossing_L1000_Similarity": 0.967382, "Placenta_Crossing_Structural_Similarity": 1.05155, "Placenta_Crossing_Weighted_Contribution": 1.44884, "Placenta_Crossing_Top_Rank": -0.0477679, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=CCCCC1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl", "InChI_key": "LEEIJTHMHDMWLJ-CQSZACIVSA-N" } }, "CID:3003565": { "type": "Drug", "properties": { "id": "CID:3003565", "label": "wortmannin", "lsm": "LSM-3947", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3003565", "FDA_Category_D_L1000_Similarity": -4.23151, "FDA_Category_D_Structural_Similarity": 0.450533, "FDA_Category_D_Weighted_Contribution": -1.41875, "FDA_Category_D_Top_Rank": -0.0727969, "FDA_Category_X_L1000_Similarity": -1.12262, "FDA_Category_X_Structural_Similarity": -0.076191, "FDA_Category_X_Weighted_Contribution": -0.671059, "FDA_Category_X_Top_Rank": -0.0816334, "FDA_Category_D_and_X_L1000_Similarity": -3.98855, "FDA_Category_D_and_X_Structural_Similarity": 0.316482, "FDA_Category_D_and_X_Weighted_Contribution": -1.36102, "FDA_Category_D_and_X_Top_Rank": -0.0789683, "Placenta_Crossing_L1000_Similarity": -4.18832, "Placenta_Crossing_Structural_Similarity": -0.883958, "Placenta_Crossing_Weighted_Contribution": -1.70347, "Placenta_Crossing_Top_Rank": -0.0921057, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C", "InChI_key": "QDLHCMPXEPAAMD-ZGSWIPFCSA-N" } }, "CID:3085219": { "type": "Drug", "properties": { "id": "CID:3085219", "label": "mirtazapine", "lsm": "LSM-1706", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3085219", "IDG_ID": "1816", "FDA_Category_D_L1000_Similarity": 1.17235, "FDA_Category_D_Structural_Similarity": 0.0702292, "FDA_Category_D_Weighted_Contribution": 0.639672, "FDA_Category_D_Top_Rank": -0.0513986, "FDA_Category_X_L1000_Similarity": 2.47449, "FDA_Category_X_Structural_Similarity": -0.255489, "FDA_Category_X_Weighted_Contribution": 0.91218, "FDA_Category_X_Top_Rank": 0.141826, "FDA_Category_D_and_X_L1000_Similarity": 1.76204, "FDA_Category_D_and_X_Structural_Similarity": -0.0821189, "FDA_Category_D_and_X_Weighted_Contribution": 0.75701, "FDA_Category_D_and_X_Top_Rank": 0.0258421, "Placenta_Crossing_L1000_Similarity": 0.365921, "Placenta_Crossing_Structural_Similarity": -0.450639, "Placenta_Crossing_Weighted_Contribution": -0.363817, "Placenta_Crossing_Top_Rank": -0.0848732, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4", "InChI_key": "RONZAEMNMFQXRA-INIZCTEOSA-N" } }, "CID:5311": { "type": "Drug", "properties": { "id": "CID:5311", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5311", "label": "vorinostat", "FDA_Category_D_L1000_Similarity": -1.73303, "FDA_Category_D_Structural_Similarity": 1.42161, "FDA_Category_D_Weighted_Contribution": 0.277653, "FDA_Category_D_Top_Rank": -0.024684, "FDA_Category_X_L1000_Similarity": -1.86601, "FDA_Category_X_Structural_Similarity": -0.250537, "FDA_Category_X_Weighted_Contribution": -1.04802, "FDA_Category_X_Top_Rank": -0.0855404, "FDA_Category_D_and_X_L1000_Similarity": -2.06057, "FDA_Category_D_and_X_Structural_Similarity": 0.993165, "FDA_Category_D_and_X_Weighted_Contribution": -0.274361, "FDA_Category_D_and_X_Top_Rank": -0.0535018, "Placenta_Crossing_L1000_Similarity": -2.16736, "Placenta_Crossing_Structural_Similarity": 0.240347, "Placenta_Crossing_Weighted_Contribution": -0.809332, "Placenta_Crossing_Top_Rank": -0.0768132, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO", "InChI_key": "WAEXFXRVDQXREF-UHFFFAOYSA-N" } }, "CID:5493444": { "type": "Drug", "properties": { "id": "CID:5493444", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5493444", "label": "aliskiren", "ref": "LSM-2653", "FDA_Category_D_L1000_Similarity": 1.42943, "FDA_Category_D_Structural_Similarity": -0.292091, "FDA_Category_D_Weighted_Contribution": 0.41822, "FDA_Category_D_Top_Rank": -0.0208628, "FDA_Category_X_L1000_Similarity": 1.66657, "FDA_Category_X_Structural_Similarity": -0.407194, "FDA_Category_X_Weighted_Contribution": 0.304543, "FDA_Category_X_Top_Rank": -0.0334471, "FDA_Category_D_and_X_L1000_Similarity": 1.7383, "FDA_Category_D_and_X_Structural_Similarity": -0.451556, "FDA_Category_D_and_X_Weighted_Contribution": 0.363123, "FDA_Category_D_and_X_Top_Rank": 0.0201722, "Placenta_Crossing_L1000_Similarity": 1.00107, "Placenta_Crossing_Structural_Similarity": -0.404539, "Placenta_Crossing_Weighted_Contribution": -0.0403874, "Placenta_Crossing_Top_Rank": -0.0704004, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N", "InChI_key": "UXOWGYHJODZGMF-QORCZRPOSA-N" } }, "CID:68093": { "type": "Drug", "properties": { "id": "CID:68093", "label": "dipyrocetyl", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68093", "FDA_Category_D_L1000_Similarity": 2.69119, "FDA_Category_D_Structural_Similarity": -0.804414, "FDA_Category_D_Weighted_Contribution": 0.655346, "FDA_Category_D_Top_Rank": 1.44886, "FDA_Category_X_L1000_Similarity": -0.157834, "FDA_Category_X_Structural_Similarity": 0.351774, "FDA_Category_X_Weighted_Contribution": 0.145758, "FDA_Category_X_Top_Rank": -0.0676016, "FDA_Category_D_and_X_L1000_Similarity": 2.27193, "FDA_Category_D_and_X_Structural_Similarity": -0.448658, "FDA_Category_D_and_X_Weighted_Contribution": 0.672412, "FDA_Category_D_and_X_Top_Rank": 0.267398, "Placenta_Crossing_L1000_Similarity": 1.7627, "Placenta_Crossing_Structural_Similarity": -0.289667, "Placenta_Crossing_Weighted_Contribution": 0.44917, "Placenta_Crossing_Top_Rank": -0.00608117, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)O", "InChI_key": "NYIZXMGNIUSNKL-UHFFFAOYSA-N" } }, "CID:9912743": { "type": "Drug", "properties": { "id": "CID:9912743", "label": "SB-683698", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9912743", "FDA_Category_D_L1000_Similarity": 0.979372, "FDA_Category_D_Structural_Similarity": 1.05706, "FDA_Category_D_Weighted_Contribution": 1.58875, "FDA_Category_D_Top_Rank": -0.0477568, "FDA_Category_X_L1000_Similarity": -0.835736, "FDA_Category_X_Structural_Similarity": 1.55607, "FDA_Category_X_Weighted_Contribution": 1.08792, "FDA_Category_X_Top_Rank": -0.00564117, "FDA_Category_D_and_X_L1000_Similarity": 0.590435, "FDA_Category_D_and_X_Structural_Similarity": 1.67865, "FDA_Category_D_and_X_Weighted_Contribution": 1.92411, "FDA_Category_D_and_X_Top_Rank": 0.00231168, "Placenta_Crossing_L1000_Similarity": 0.17291, "Placenta_Crossing_Structural_Similarity": -0.341724, "Placenta_Crossing_Weighted_Contribution": -0.354663, "Placenta_Crossing_Top_Rank": -0.0868637, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:2113511": { "type": "Drug", "properties": { "id": "CID:2113511", "label": "t-5345967", "lsm": "LSM-2859", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2113511", "FDA_Category_D_L1000_Similarity": 0.831278, "FDA_Category_D_Structural_Similarity": 0.00145745, "FDA_Category_D_Weighted_Contribution": 0.360108, "FDA_Category_D_Top_Rank": -0.0744628, "FDA_Category_X_L1000_Similarity": 0.347737, "FDA_Category_X_Structural_Similarity": 1.33709, "FDA_Category_X_Weighted_Contribution": 1.51343, "FDA_Category_X_Top_Rank": -0.0187333, "FDA_Category_D_and_X_L1000_Similarity": 0.822177, "FDA_Category_D_and_X_Structural_Similarity": 0.722648, "FDA_Category_D_and_X_Weighted_Contribution": 1.05224, "FDA_Category_D_and_X_Top_Rank": -0.0666101, "Placenta_Crossing_L1000_Similarity": 1.76536, "Placenta_Crossing_Structural_Similarity": -0.428943, "Placenta_Crossing_Weighted_Contribution": 0.309601, "Placenta_Crossing_Top_Rank": -0.00528869, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O", "InChI_key": "JRESCQKIRPOOEM-UHFFFAOYSA-N" } }, "CID:2406": { "type": "Drug", "properties": { "id": "CID:2406", "label": "bithionol", "lsm": "LSM-2862", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2406", "IDG_ID": "3032", "FDA_Category_D_L1000_Similarity": -3.52402, "FDA_Category_D_Structural_Similarity": -0.949971, "FDA_Category_D_Weighted_Contribution": -1.71545, "FDA_Category_D_Top_Rank": -0.0970825, "FDA_Category_X_L1000_Similarity": -1.5794, "FDA_Category_X_Structural_Similarity": -0.65692, "FDA_Category_X_Weighted_Contribution": -1.19962, "FDA_Category_X_Top_Rank": -0.0916118, "FDA_Category_D_and_X_L1000_Similarity": -3.5174, "FDA_Category_D_and_X_Structural_Similarity": -1.10848, "FDA_Category_D_and_X_Weighted_Contribution": -1.70532, "FDA_Category_D_and_X_Top_Rank": -0.0969541, "Placenta_Crossing_L1000_Similarity": -3.72221, "Placenta_Crossing_Structural_Similarity": 2.0071, "Placenta_Crossing_Weighted_Contribution": -0.026063, "Placenta_Crossing_Top_Rank": 0.0331005, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl", "InChI_key": "JFIOVJDNOJYLKP-UHFFFAOYSA-N" } }, "CID:2554": { "type": "Drug", "properties": { "id": "CID:2554", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2554", "label": "carbamazepine", "ref": "LSM-3610", "FDA_Category_D_L1000_Similarity": 2.74998, "FDA_Category_D_Structural_Similarity": -0.519146, "FDA_Category_D_Weighted_Contribution": 0.999982, "FDA_Category_D_Top_Rank": 1.74924, "FDA_Category_X_L1000_Similarity": 2.41559, "FDA_Category_X_Structural_Similarity": -0.509816, "FDA_Category_X_Weighted_Contribution": 0.596393, "FDA_Category_X_Top_Rank": 0.12323, "FDA_Category_D_and_X_L1000_Similarity": 3.1041, "FDA_Category_D_and_X_Structural_Similarity": -0.687147, "FDA_Category_D_and_X_Weighted_Contribution": 0.91288, "FDA_Category_D_and_X_Top_Rank": 2.19369, "Placenta_Crossing_L1000_Similarity": 3.07342, "Placenta_Crossing_Structural_Similarity": -0.795425, "Placenta_Crossing_Weighted_Contribution": 0.613934, "Placenta_Crossing_Top_Rank": 1.25537, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N", "InChI_key": "FFGPTBGBLSHEPO-UHFFFAOYSA-N" } }, "CID:44483298": { "type": "Drug", "properties": { "id": "CID:44483298", "label": "methylprednisolone", "lsm": "LSM-5485", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/44483298", "IDG_ID": "1768", "FDA_Category_D_L1000_Similarity": 1.1496, "FDA_Category_D_Structural_Similarity": -0.0951596, "FDA_Category_D_Weighted_Contribution": 0.452351, "FDA_Category_D_Top_Rank": -0.0536711, "FDA_Category_X_L1000_Similarity": 0.431881, "FDA_Category_X_Structural_Similarity": 2.07983, "FDA_Category_X_Weighted_Contribution": 2.37181, "FDA_Category_X_Top_Rank": 0.050104, "FDA_Category_D_and_X_L1000_Similarity": 1.12213, "FDA_Category_D_and_X_Structural_Similarity": 1.04674, "FDA_Category_D_and_X_Weighted_Contribution": 1.57764, "FDA_Category_D_and_X_Top_Rank": -0.0499271, "Placenta_Crossing_L1000_Similarity": 1.15606, "Placenta_Crossing_Structural_Similarity": 1.64645, "Placenta_Crossing_Weighted_Contribution": 2.16647, "Placenta_Crossing_Top_Rank": -0.00762631, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O", "InChI_key": "VHRSUDSXCMQTMA-XRDLKPKISA-N" } }, "CID:491941": { "type": "Drug", "properties": { "id": "CID:491941", "label": "pritelivir", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/491941", "FDA_Category_D_L1000_Similarity": 0.158113, "FDA_Category_D_Structural_Similarity": 1.72387, "FDA_Category_D_Weighted_Contribution": 1.78821, "FDA_Category_D_Top_Rank": 0.00946378, "FDA_Category_X_L1000_Similarity": 2.64608, "FDA_Category_X_Structural_Similarity": -0.610748, "FDA_Category_X_Weighted_Contribution": 0.612182, "FDA_Category_X_Top_Rank": 0.256234, "FDA_Category_D_and_X_L1000_Similarity": 0.939862, "FDA_Category_D_and_X_Structural_Similarity": 1.0387, "FDA_Category_D_and_X_Weighted_Contribution": 1.46082, "FDA_Category_D_and_X_Top_Rank": -0.0507018, "Placenta_Crossing_L1000_Similarity": 2.30812, "Placenta_Crossing_Structural_Similarity": -0.88242, "Placenta_Crossing_Weighted_Contribution": 0.134538, "Placenta_Crossing_Top_Rank": 0.162, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N", "InChI_key": "IVZKZONQVYTCKC-UHFFFAOYSA-N" } }, "CID:53245442": { "type": "Drug", "properties": { "id": "CID:53245442", "label": "tul-xx025tfa", "lsm": "LSM-29352", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/53245442", "FDA_Category_D_L1000_Similarity": 1.60871, "FDA_Category_D_Structural_Similarity": 2.85003, "FDA_Category_D_Weighted_Contribution": 3.46596, "FDA_Category_D_Top_Rank": 0.188359, "FDA_Category_X_L1000_Similarity": 1.37317, "FDA_Category_X_Structural_Similarity": -0.635218, "FDA_Category_X_Weighted_Contribution": -0.0725935, "FDA_Category_X_Top_Rank": -0.0547804, "FDA_Category_D_and_X_L1000_Similarity": 1.80373, "FDA_Category_D_and_X_Structural_Similarity": 1.91935, "FDA_Category_D_and_X_Weighted_Contribution": 2.77387, "FDA_Category_D_and_X_Top_Rank": 0.0328583, "Placenta_Crossing_L1000_Similarity": 1.95693, "Placenta_Crossing_Structural_Similarity": 4.00651, "Placenta_Crossing_Weighted_Contribution": 3.94046, "Placenta_Crossing_Top_Rank": 0.516989, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)NC3CC(NC3)CO", "InChI_key": "RYYWECOTRQGHHB-OLZOCXBDSA-N" } }, "CID:5379": { "type": "Drug", "properties": { "id": "CID:5379", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5379", "label": "gatifloxacin", "FDA_Category_D_L1000_Similarity": 0.950714, "FDA_Category_D_Structural_Similarity": 0.25201, "FDA_Category_D_Weighted_Contribution": 0.694976, "FDA_Category_D_Top_Rank": -0.0685182, "FDA_Category_X_L1000_Similarity": 1.03461, "FDA_Category_X_Structural_Similarity": -0.2418, "FDA_Category_X_Weighted_Contribution": 0.148937, "FDA_Category_X_Top_Rank": -0.0703967, "FDA_Category_D_and_X_L1000_Similarity": 1.13372, "FDA_Category_D_and_X_Structural_Similarity": 0.0695494, "FDA_Category_D_and_X_Weighted_Contribution": 0.548175, "FDA_Category_D_and_X_Top_Rank": -0.0603846, "Placenta_Crossing_L1000_Similarity": 2.91963, "Placenta_Crossing_Structural_Similarity": 0.10726, "Placenta_Crossing_Weighted_Contribution": 1.49835, "Placenta_Crossing_Top_Rank": 0.775024, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F", "InChI_key": "XUBOMFCQGDBHNK-UHFFFAOYSA-N" } }, "CID:60846": { "type": "Drug", "properties": { "id": "CID:60846", "label": "valsartan", "lsm": "LSM-2993", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/60846", "drugcentral_id": "2806", "FDA_Category_D_L1000_Similarity": 1.57457, "FDA_Category_D_Structural_Similarity": 4.34068, "FDA_Category_D_Weighted_Contribution": 4.07996, "FDA_Category_D_Top_Rank": 0.741334, "FDA_Category_X_L1000_Similarity": 1.19694, "FDA_Category_X_Structural_Similarity": -0.629325, "FDA_Category_X_Weighted_Contribution": -0.150855, "FDA_Category_X_Top_Rank": -0.0643643, "FDA_Category_D_and_X_L1000_Similarity": 1.72079, "FDA_Category_D_and_X_Structural_Similarity": 3.10567, "FDA_Category_D_and_X_Weighted_Contribution": 3.52494, "FDA_Category_D_and_X_Top_Rank": 0.247069, "Placenta_Crossing_L1000_Similarity": 2.31151, "Placenta_Crossing_Structural_Similarity": 0.253115, "Placenta_Crossing_Weighted_Contribution": 1.32322, "Placenta_Crossing_Top_Rank": 0.164527, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O", "InChI_key": "ACWBQPMHZXGDFX-QFIPXVFZSA-N" } }, "CID:68712": { "type": "Drug", "properties": { "id": "CID:68712", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68712", "label": "rilmenidine", "FDA_Category_D_L1000_Similarity": 1.44954, "FDA_Category_D_Structural_Similarity": -0.340664, "FDA_Category_D_Weighted_Contribution": 0.380456, "FDA_Category_D_Top_Rank": -0.0180595, "FDA_Category_X_L1000_Similarity": 4.12833, "FDA_Category_X_Structural_Similarity": -0.434601, "FDA_Category_X_Weighted_Contribution": 1.64957, "FDA_Category_X_Top_Rank": 5.32122, "FDA_Category_D_and_X_L1000_Similarity": 2.50322, "FDA_Category_D_and_X_Structural_Similarity": -0.504899, "FDA_Category_D_and_X_Weighted_Contribution": 0.749336, "FDA_Category_D_and_X_Top_Rank": 0.50136, "Placenta_Crossing_L1000_Similarity": 2.27737, "Placenta_Crossing_Structural_Similarity": -0.702696, "Placenta_Crossing_Weighted_Contribution": 0.295613, "Placenta_Crossing_Top_Rank": 0.144489, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC1C(C2CC2)NC3=NCCO3", "InChI_key": "CQXADFVORZEARL-UHFFFAOYSA-N" } }, "CID:26596": { "type": "Drug", "properties": { "id": "CID:26596", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID26596", "label": "parbendazole", "FDA_Category_D_L1000_Similarity": 0.0259268, "FDA_Category_D_Structural_Similarity": -0.319188, "FDA_Category_D_Weighted_Contribution": -0.379592, "FDA_Category_D_Top_Rank": -0.0916972, "FDA_Category_X_L1000_Similarity": -0.0561171, "FDA_Category_X_Structural_Similarity": -0.323822, "FDA_Category_X_Weighted_Contribution": -0.439174, "FDA_Category_X_Top_Rank": -0.0869264, "FDA_Category_D_and_X_L1000_Similarity": 0.00530631, "FDA_Category_D_and_X_Structural_Similarity": -0.428077, "FDA_Category_D_and_X_Weighted_Contribution": -0.489207, "FDA_Category_D_and_X_Top_Rank": -0.0921415, "Placenta_Crossing_L1000_Similarity": -0.186692, "Placenta_Crossing_Structural_Similarity": -0.607863, "Placenta_Crossing_Weighted_Contribution": -0.701345, "Placenta_Crossing_Top_Rank": -0.0895158, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC", "InChI_key": "YRWLZFXJFBZBEY-UHFFFAOYSA-N" } }, "CID:2951859": { "type": "Drug", "properties": { "id": "CID:2951859", "label": "DAC-009", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2951859", "FDA_Category_D_L1000_Similarity": 1.5241, "FDA_Category_X_L1000_Similarity": -0.34679, "FDA_Category_D_and_X_L1000_Similarity": 1.20849, "Placenta_Crossing_L1000_Similarity": 1.99452, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:650361": { "type": "Drug", "properties": { "id": "CID:650361", "label": "1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine", "lsm": "LSM-2975", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/650361", "FDA_Category_D_L1000_Similarity": 2.46055, "FDA_Category_D_Structural_Similarity": -0.752353, "FDA_Category_D_Weighted_Contribution": 0.567618, "FDA_Category_D_Top_Rank": 0.823056, "FDA_Category_X_L1000_Similarity": 2.45119, "FDA_Category_X_Structural_Similarity": -0.461477, "FDA_Category_X_Weighted_Contribution": 0.669127, "FDA_Category_X_Top_Rank": 0.133628, "FDA_Category_D_and_X_L1000_Similarity": 2.86541, "FDA_Category_D_and_X_Structural_Similarity": -0.846163, "FDA_Category_D_and_X_Weighted_Contribution": 0.604989, "FDA_Category_D_and_X_Top_Rank": 1.23227, "Placenta_Crossing_L1000_Similarity": 2.27207, "Placenta_Crossing_Structural_Similarity": -0.761164, "Placenta_Crossing_Weighted_Contribution": 0.234972, "Placenta_Crossing_Top_Rank": 0.143405, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4", "InChI_key": "HMGDKYUJSFVHIY-UHFFFAOYSA-N" } }, "CID:73707382": { "type": "Drug", "properties": { "id": "CID:73707382", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707382", "label": "Myriocin", "FDA_Category_D_L1000_Similarity": 1.55197, "FDA_Category_D_Structural_Similarity": -0.437871, "FDA_Category_D_Weighted_Contribution": 0.342493, "FDA_Category_D_Top_Rank": 0.00320849, "FDA_Category_X_L1000_Similarity": 0.654939, "FDA_Category_X_Structural_Similarity": -0.41113, "FDA_Category_X_Weighted_Contribution": -0.200343, "FDA_Category_X_Top_Rank": -0.0801173, "FDA_Category_D_and_X_L1000_Similarity": 1.53671, "FDA_Category_D_and_X_Structural_Similarity": -0.569388, "FDA_Category_D_and_X_Weighted_Contribution": 0.13691, "FDA_Category_D_and_X_Top_Rank": -0.0177261, "Placenta_Crossing_L1000_Similarity": 2.75908, "Placenta_Crossing_Structural_Similarity": 0.929801, "Placenta_Crossing_Weighted_Contribution": 2.26084, "Placenta_Crossing_Top_Rank": 0.510075, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:130325": { "type": "Drug", "properties": { "id": "CID:130325", "label": "sa-792709", "lsm": "LSM-3132", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/130325", "FDA_Category_D_L1000_Similarity": -2.64173, "FDA_Category_D_Structural_Similarity": -0.376495, "FDA_Category_D_Weighted_Contribution": -1.37703, "FDA_Category_D_Top_Rank": -0.0926087, "FDA_Category_X_L1000_Similarity": -1.12642, "FDA_Category_X_Structural_Similarity": -0.000878302, "FDA_Category_X_Weighted_Contribution": -0.613812, "FDA_Category_X_Top_Rank": -0.0797943, "FDA_Category_D_and_X_L1000_Similarity": -2.61929, "FDA_Category_D_and_X_Structural_Similarity": -0.299303, "FDA_Category_D_and_X_Weighted_Contribution": -1.29759, "FDA_Category_D_and_X_Top_Rank": -0.0917202, "Placenta_Crossing_L1000_Similarity": -2.86275, "Placenta_Crossing_Structural_Similarity": 0.316336, "Placenta_Crossing_Weighted_Contribution": -0.983821, "Placenta_Crossing_Top_Rank": -0.0746497, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C", "InChI_key": "FOUVTBKPJRMLPE-UHFFFAOYSA-N" } }, "CID:1893": { "type": "Drug", "properties": { "id": "CID:1893", "label": "7-nitroindazole", "ref": "LSM-5222", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1893", "FDA_Category_D_L1000_Similarity": 2.04175, "FDA_Category_D_Structural_Similarity": 1.09009, "FDA_Category_D_Weighted_Contribution": 2.27029, "FDA_Category_D_Top_Rank": 0.226889, "FDA_Category_X_L1000_Similarity": 0.400139, "FDA_Category_X_Structural_Similarity": -0.58042, "FDA_Category_X_Weighted_Contribution": -0.463156, "FDA_Category_X_Top_Rank": -0.0837823, "FDA_Category_D_and_X_L1000_Similarity": 1.88154, "FDA_Category_D_and_X_Structural_Similarity": 0.552024, "FDA_Category_D_and_X_Weighted_Contribution": 1.50459, "FDA_Category_D_and_X_Top_Rank": 0.0538376, "Placenta_Crossing_L1000_Similarity": 1.36433, "Placenta_Crossing_Structural_Similarity": -0.0830368, "Placenta_Crossing_Weighted_Contribution": 0.453814, "Placenta_Crossing_Top_Rank": -0.0513228, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2", "InChI_key": "PQCAUHUKTBHUSA-UHFFFAOYSA-N" } }, "CID:200": { "type": "Drug", "properties": { "id": "CID:200", "label": "aica-ribonucleotide", "lsm": "LSM-4460", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/200", "FDA_Category_D_L1000_Similarity": 1.04459, "FDA_Category_D_Structural_Similarity": 2.21446, "FDA_Category_D_Weighted_Contribution": 2.76884, "FDA_Category_D_Top_Rank": 0.0845274, "FDA_Category_X_L1000_Similarity": 0.278897, "FDA_Category_X_Structural_Similarity": -0.681599, "FDA_Category_X_Weighted_Contribution": -0.595948, "FDA_Category_X_Top_Rank": -0.0851469, "FDA_Category_D_and_X_L1000_Similarity": 0.985148, "FDA_Category_D_and_X_Structural_Similarity": 1.38986, "FDA_Category_D_and_X_Weighted_Contribution": 1.85518, "FDA_Category_D_and_X_Top_Rank": -0.0239544, "Placenta_Crossing_L1000_Similarity": 1.13569, "Placenta_Crossing_Structural_Similarity": -0.611981, "Placenta_Crossing_Weighted_Contribution": -0.166583, "Placenta_Crossing_Top_Rank": -0.0650862, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N", "InChI_key": "NOTGFIUVDGNKRI-UHFFFAOYSA-N" } }, "CID:25262965": { "type": "Drug", "properties": { "id": "CID:25262965", "label": "azd-8055", "lsm": "LSM-1007", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25262965", "FDA_Category_D_L1000_Similarity": -2.01711, "FDA_Category_D_Structural_Similarity": -0.413296, "FDA_Category_D_Weighted_Contribution": -1.2291, "FDA_Category_D_Top_Rank": -0.0930942, "FDA_Category_X_L1000_Similarity": -1.79222, "FDA_Category_X_Structural_Similarity": -0.147356, "FDA_Category_X_Weighted_Contribution": -0.959497, "FDA_Category_X_Top_Rank": -0.0833148, "FDA_Category_D_and_X_L1000_Similarity": -2.28304, "FDA_Category_D_and_X_Structural_Similarity": -0.407551, "FDA_Category_D_and_X_Weighted_Contribution": -1.262, "FDA_Category_D_and_X_Top_Rank": -0.0930555, "Placenta_Crossing_L1000_Similarity": -1.95137, "Placenta_Crossing_Structural_Similarity": -0.500853, "Placenta_Crossing_Weighted_Contribution": -1.17805, "Placenta_Crossing_Top_Rank": -0.0897106, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOCC5C", "InChI_key": "KVLFRAWTRWDEDF-IRXDYDNUSA-N" } }, "CID:4238": { "type": "Drug", "properties": { "id": "CID:4238", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4238", "label": "molsidomine", "FDA_Category_D_L1000_Similarity": 0.967607, "FDA_Category_D_Structural_Similarity": -0.741398, "FDA_Category_D_Weighted_Contribution": -0.269388, "FDA_Category_D_Top_Rank": -0.0670388, "FDA_Category_X_L1000_Similarity": -0.90533, "FDA_Category_X_Structural_Similarity": 0.264975, "FDA_Category_X_Weighted_Contribution": -0.29581, "FDA_Category_X_Top_Rank": -0.0711601, "FDA_Category_D_and_X_L1000_Similarity": 0.559159, "FDA_Category_D_and_X_Structural_Similarity": -0.445478, "FDA_Category_D_and_X_Weighted_Contribution": -0.248814, "FDA_Category_D_and_X_Top_Rank": -0.0845031, "Placenta_Crossing_L1000_Similarity": 0.634975, "Placenta_Crossing_Structural_Similarity": -0.256275, "Placenta_Crossing_Weighted_Contribution": -0.0748194, "Placenta_Crossing_Top_Rank": -0.0802708, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]", "InChI_key": "XLFWDASMENKTKL-UHFFFAOYSA-N" } }, "CID:4694339": { "type": "Drug", "properties": { "id": "CID:4694339", "label": "ub-165", "lsm": "LSM-1331", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4694339", "FDA_Category_D_L1000_Similarity": 2.04218, "FDA_Category_D_Structural_Similarity": -0.700171, "FDA_Category_D_Weighted_Contribution": 0.367716, "FDA_Category_D_Top_Rank": 0.228797, "FDA_Category_X_L1000_Similarity": 0.379634, "FDA_Category_X_Structural_Similarity": -0.708645, "FDA_Category_X_Weighted_Contribution": -0.577248, "FDA_Category_X_Top_Rank": -0.0840176, "FDA_Category_D_and_X_L1000_Similarity": 1.87567, "FDA_Category_D_and_X_Structural_Similarity": -0.938117, "FDA_Category_D_and_X_Weighted_Contribution": -0.030746, "FDA_Category_D_and_X_Top_Rank": 0.0525622, "Placenta_Crossing_L1000_Similarity": 1.40108, "Placenta_Crossing_Structural_Similarity": -0.711362, "Placenta_Crossing_Weighted_Contribution": -0.135057, "Placenta_Crossing_Top_Rank": -0.0480962, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC2CCC(N2)C(=C1)C3=CN=C(C=C3)Cl", "InChI_key": "TVSNVPGPFGAKPT-UHFFFAOYSA-N" } }, "CID:5034": { "type": "Drug", "properties": { "id": "CID:5034", "label": "gw-5074", "lsm": "LSM-1029", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5034", "FDA_Category_D_L1000_Similarity": 2.7371, "FDA_Category_D_Structural_Similarity": 1.55244, "FDA_Category_D_Weighted_Contribution": 3.03543, "FDA_Category_D_Top_Rank": 1.63698, "FDA_Category_X_L1000_Similarity": 1.53259, "FDA_Category_X_Structural_Similarity": 0.523625, "FDA_Category_X_Weighted_Contribution": 1.26197, "FDA_Category_X_Top_Rank": -0.0450395, "FDA_Category_D_and_X_L1000_Similarity": 2.82485, "FDA_Category_D_and_X_Structural_Similarity": 1.51474, "FDA_Category_D_and_X_Weighted_Contribution": 2.90647, "FDA_Category_D_and_X_Top_Rank": 1.11862, "Placenta_Crossing_L1000_Similarity": 3.21714, "Placenta_Crossing_Structural_Similarity": -0.431995, "Placenta_Crossing_Weighted_Contribution": 1.07929, "Placenta_Crossing_Top_Rank": 1.83552, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC2=C(C=C1I)C(=CC3=CC(=C(C(=C3)Br)O)Br)C(=O)N2", "InChI_key": "LMXYVLFTZRPNRV-UHFFFAOYSA-N" } }, "CID:5478883": { "type": "Drug", "properties": { "id": "CID:5478883", "label": "pepstatin", "lsm": "LSM-2282", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5478883", "FDA_Category_D_L1000_Similarity": 1.09243, "FDA_Category_D_Structural_Similarity": 1.40092, "FDA_Category_D_Weighted_Contribution": 2.02309, "FDA_Category_D_Top_Rank": -0.0260529, "FDA_Category_X_L1000_Similarity": -0.0292673, "FDA_Category_X_Structural_Similarity": -0.388616, "FDA_Category_X_Weighted_Contribution": -0.482548, "FDA_Category_X_Top_Rank": -0.0877805, "FDA_Category_D_and_X_L1000_Similarity": 0.932798, "FDA_Category_D_and_X_Structural_Similarity": 0.902237, "FDA_Category_D_and_X_Weighted_Contribution": 1.31095, "FDA_Category_D_and_X_Top_Rank": -0.0579737, "Placenta_Crossing_L1000_Similarity": 0.405133, "Placenta_Crossing_Structural_Similarity": -0.0810873, "Placenta_Crossing_Weighted_Contribution": -0.0208246, "Placenta_Crossing_Top_Rank": -0.0838403, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O", "InChI_key": "FAXGPCHRFPCXOO-LXTPJMTPSA-N" } }, "CID:688798": { "type": "Drug", "properties": { "id": "CID:688798", "label": "ST-059620", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/688798", "FDA_Category_D_L1000_Similarity": 2.5329, "FDA_Category_X_L1000_Similarity": 2.90792, "FDA_Category_D_and_X_L1000_Similarity": 3.06648, "Placenta_Crossing_L1000_Similarity": 2.73009, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:9952773": { "type": "Drug", "properties": { "id": "CID:9952773", "label": "tak-715", "lsm": "LSM-1060", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9952773", "FDA_Category_D_L1000_Similarity": 3.37355, "FDA_Category_D_Structural_Similarity": -0.780048, "FDA_Category_D_Weighted_Contribution": 1.11383, "FDA_Category_D_Top_Rank": 19.0381, "FDA_Category_X_L1000_Similarity": 2.93475, "FDA_Category_X_Structural_Similarity": -0.631095, "FDA_Category_X_Weighted_Contribution": 0.749347, "FDA_Category_X_Top_Rank": 0.460718, "FDA_Category_D_and_X_L1000_Similarity": 3.79928, "FDA_Category_D_and_X_Structural_Similarity": -0.959671, "FDA_Category_D_and_X_Weighted_Contribution": 1.03785, "FDA_Category_D_and_X_Top_Rank": 28.6061, "Placenta_Crossing_L1000_Similarity": 3.77883, "Placenta_Crossing_Structural_Similarity": -0.783847, "Placenta_Crossing_Weighted_Contribution": 1.00711, "Placenta_Crossing_Top_Rank": 10.7312, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C", "InChI_key": "HEKAIDKUDLCBRU-UHFFFAOYSA-N" } }, "CID:2726824": { "type": "Drug", "properties": { "id": "CID:2726824", "label": "xav-939", "lsm": "LSM-5303", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2726824", "FDA_Category_D_L1000_Similarity": 0.986511, "FDA_Category_D_Structural_Similarity": -0.888415, "FDA_Category_D_Weighted_Contribution": -0.385203, "FDA_Category_D_Top_Rank": -0.0659882, "FDA_Category_X_L1000_Similarity": 2.59281, "FDA_Category_X_Structural_Similarity": -0.614542, "FDA_Category_X_Weighted_Contribution": 0.578847, "FDA_Category_X_Top_Rank": 0.211707, "FDA_Category_D_and_X_L1000_Similarity": 1.63778, "FDA_Category_D_and_X_Structural_Similarity": -1.03675, "FDA_Category_D_and_X_Weighted_Contribution": -0.237319, "FDA_Category_D_and_X_Top_Rank": -0.00159724, "Placenta_Crossing_L1000_Similarity": 2.35101, "Placenta_Crossing_Structural_Similarity": -0.255841, "Placenta_Crossing_Weighted_Contribution": 0.79669, "Placenta_Crossing_Top_Rank": 0.176536, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CSCC2=C1NC(=NC2=O)C3=CC=C(C=C3)C(F)(F)F", "InChI_key": "KLGQSVMIPOVQAX-UHFFFAOYSA-N" } }, "CID:322968": { "type": "Drug", "properties": { "id": "CID:322968", "label": "prima1", "lsm": "LSM-6220", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/322968", "FDA_Category_D_L1000_Similarity": 1.64349, "FDA_Category_D_Structural_Similarity": -0.503098, "FDA_Category_D_Weighted_Contribution": 0.330681, "FDA_Category_D_Top_Rank": 0.025621, "FDA_Category_X_L1000_Similarity": 2.21371, "FDA_Category_X_Structural_Similarity": 0.248789, "FDA_Category_X_Weighted_Contribution": 1.3373, "FDA_Category_X_Top_Rank": 0.0542631, "FDA_Category_D_and_X_L1000_Similarity": 2.08898, "FDA_Category_D_and_X_Structural_Similarity": -0.26507, "FDA_Category_D_and_X_Weighted_Contribution": 0.75735, "FDA_Category_D_and_X_Top_Rank": 0.145521, "Placenta_Crossing_L1000_Similarity": 3.34149, "Placenta_Crossing_Structural_Similarity": -0.652804, "Placenta_Crossing_Weighted_Contribution": 0.909465, "Placenta_Crossing_Top_Rank": 2.75155, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN2CCC1C(=O)C2(CO)CO", "InChI_key": "RFBVBRVVOPAAFS-UHFFFAOYSA-N" } }, "CID:4183496": { "type": "Drug", "properties": { "id": "CID:4183496", "label": "emf-bca1-16", "lsm": "LSM-6608", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4183496", "FDA_Category_D_L1000_Similarity": -3.29101, "FDA_Category_D_Structural_Similarity": 0.599845, "FDA_Category_D_Weighted_Contribution": -1.08989, "FDA_Category_D_Top_Rank": -0.067509, "FDA_Category_X_L1000_Similarity": -2.58227, "FDA_Category_X_Structural_Similarity": -0.519679, "FDA_Category_X_Weighted_Contribution": -1.38029, "FDA_Category_X_Top_Rank": -0.0900913, "FDA_Category_D_and_X_L1000_Similarity": -3.62109, "FDA_Category_D_and_X_Structural_Similarity": 0.195688, "FDA_Category_D_and_X_Weighted_Contribution": -1.32603, "FDA_Category_D_and_X_Top_Rank": -0.0817533, "Placenta_Crossing_L1000_Similarity": -3.58436, "Placenta_Crossing_Structural_Similarity": 0.824105, "Placenta_Crossing_Weighted_Contribution": -0.897084, "Placenta_Crossing_Top_Rank": -0.0587443, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=NC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl", "InChI_key": "CQUNMROLUJQCJW-UHFFFAOYSA-N" } }, "CID:659031": { "type": "Drug", "properties": { "id": "CID:659031", "label": "emf-sumo1-11", "lsm": "LSM-4839", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/659031", "FDA_Category_D_L1000_Similarity": -1.75165, "FDA_Category_D_Structural_Similarity": -0.712602, "FDA_Category_D_Weighted_Contribution": -1.29685, "FDA_Category_D_Top_Rank": -0.095946, "FDA_Category_X_L1000_Similarity": -2.47351, "FDA_Category_X_Structural_Similarity": -0.525524, "FDA_Category_X_Weighted_Contribution": -1.35809, "FDA_Category_X_Top_Rank": -0.0901666, "FDA_Category_D_and_X_L1000_Similarity": -2.26111, "FDA_Category_D_and_X_Structural_Similarity": -0.849173, "FDA_Category_D_and_X_Weighted_Contribution": -1.43625, "FDA_Category_D_and_X_Top_Rank": -0.0961851, "Placenta_Crossing_L1000_Similarity": -2.36239, "Placenta_Crossing_Structural_Similarity": -0.732706, "Placenta_Crossing_Weighted_Contribution": -1.37673, "Placenta_Crossing_Top_Rank": -0.0914119, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F", "InChI_key": "HKPDBQHHTHILOX-UHFFFAOYSA-N" } }, "CID:2691": { "type": "Drug", "properties": { "id": "CID:2691", "label": "cgs-21680", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2691", "FDA_Category_D_L1000_Similarity": 2.26486, "FDA_Category_D_Structural_Similarity": 0.776297, "FDA_Category_D_Weighted_Contribution": 2.08661, "FDA_Category_D_Top_Rank": 0.414198, "FDA_Category_X_L1000_Similarity": 2.4993, "FDA_Category_X_Structural_Similarity": 0.318304, "FDA_Category_X_Weighted_Contribution": 1.57912, "FDA_Category_X_Top_Rank": 0.150625, "FDA_Category_D_and_X_L1000_Similarity": 2.71134, "FDA_Category_D_and_X_Structural_Similarity": 0.787913, "FDA_Category_D_and_X_Weighted_Contribution": 2.21935, "FDA_Category_D_and_X_Top_Rank": 0.922284, "Placenta_Crossing_L1000_Similarity": 3.90962, "Placenta_Crossing_Structural_Similarity": -0.0409698, "Placenta_Crossing_Weighted_Contribution": 1.87232, "Placenta_Crossing_Top_Rank": 13.4386, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O", "InChI_key": "PAOANWZGLPPROA-UHFFFAOYSA-N" } }, "CID:3081361": { "type": "Drug", "properties": { "id": "CID:3081361", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3081361", "label": "vandetanib", "FDA_Category_D_L1000_Similarity": -0.618138, "FDA_Category_D_Structural_Similarity": -0.365845, "FDA_Category_D_Weighted_Contribution": -0.708945, "FDA_Category_D_Top_Rank": -0.0924302, "FDA_Category_X_L1000_Similarity": 3.87896, "FDA_Category_X_Structural_Similarity": -0.343279, "FDA_Category_X_Weighted_Contribution": 1.61174, "FDA_Category_X_Top_Rank": 4.41803, "FDA_Category_D_and_X_L1000_Similarity": 0.645117, "FDA_Category_D_and_X_Structural_Similarity": -0.475608, "FDA_Category_D_and_X_Weighted_Contribution": -0.233273, "FDA_Category_D_and_X_Top_Rank": -0.0825292, "Placenta_Crossing_L1000_Similarity": 0.408847, "Placenta_Crossing_Structural_Similarity": 0.014727, "Placenta_Crossing_Weighted_Contribution": 0.0709745, "Placenta_Crossing_Top_Rank": -0.0820459, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC", "InChI_key": "UHTHHESEBZOYNR-UHFFFAOYSA-N" } }, "CID:442897": { "type": "Drug", "properties": { "id": "CID:442897", "label": "dubinidine", "lsm": "LSM-1971", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/442897", "FDA_Category_D_L1000_Similarity": 1.16955, "FDA_Category_D_Structural_Similarity": -0.03065, "FDA_Category_D_Weighted_Contribution": 0.531649, "FDA_Category_D_Top_Rank": -0.0516306, "FDA_Category_X_L1000_Similarity": 0.523822, "FDA_Category_X_Structural_Similarity": 2.43295, "FDA_Category_X_Weighted_Contribution": 2.76378, "FDA_Category_X_Top_Rank": 0.100544, "FDA_Category_D_and_X_L1000_Similarity": 1.16725, "FDA_Category_D_and_X_Structural_Similarity": 1.28848, "FDA_Category_D_and_X_Weighted_Contribution": 1.85589, "FDA_Category_D_and_X_Top_Rank": -0.0327636, "Placenta_Crossing_L1000_Similarity": 1.34978, "Placenta_Crossing_Structural_Similarity": 1.49597, "Placenta_Crossing_Weighted_Contribution": 2.1147, "Placenta_Crossing_Top_Rank": -0.0205276, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CO)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O", "InChI_key": "NETGEQWGGLFVRL-UHFFFAOYSA-N" } }, "CID:5219": { "type": "Drug", "properties": { "id": "CID:5219", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5219", "label": "linsidomine", "FDA_Category_D_L1000_Similarity": 0.0233422, "FDA_Category_D_Structural_Similarity": -0.853821, "FDA_Category_D_Weighted_Contribution": -0.787844, "FDA_Category_D_Top_Rank": -0.0919933, "FDA_Category_X_L1000_Similarity": 2.47567, "FDA_Category_X_Structural_Similarity": -0.631997, "FDA_Category_X_Weighted_Contribution": 0.496198, "FDA_Category_X_Top_Rank": 0.142891, "FDA_Category_D_and_X_L1000_Similarity": 0.771936, "FDA_Category_D_and_X_Structural_Similarity": -1.01871, "FDA_Category_D_and_X_Weighted_Contribution": -0.611393, "FDA_Category_D_and_X_Top_Rank": -0.0787441, "Placenta_Crossing_L1000_Similarity": 2.22159, "Placenta_Crossing_Structural_Similarity": -0.660421, "Placenta_Crossing_Weighted_Contribution": 0.309571, "Placenta_Crossing_Top_Rank": 0.120896, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1[N+]2=CC(=N)O[N-]2", "InChI_key": "FKDHHVKWGRFRTG-UHFFFAOYSA-N" } }, "CID:5284549": { "type": "Drug", "properties": { "id": "CID:5284549", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5284549", "label": "dorzolamide", "ref": "LSM-5597", "FDA_Category_D_L1000_Similarity": 0.708087, "FDA_Category_D_Structural_Similarity": -0.902975, "FDA_Category_D_Weighted_Contribution": -0.528958, "FDA_Category_D_Top_Rank": -0.0793438, "FDA_Category_X_L1000_Similarity": 1.63612, "FDA_Category_X_Structural_Similarity": -0.676463, "FDA_Category_X_Weighted_Contribution": 0.0152925, "FDA_Category_X_Top_Rank": -0.0367966, "FDA_Category_D_and_X_L1000_Similarity": 1.10723, "FDA_Category_D_and_X_Structural_Similarity": -1.08172, "FDA_Category_D_and_X_Weighted_Contribution": -0.517111, "FDA_Category_D_and_X_Top_Rank": -0.0621177, "Placenta_Crossing_L1000_Similarity": 0.0193739, "Placenta_Crossing_Structural_Similarity": -1.0256, "Placenta_Crossing_Weighted_Contribution": -0.910598, "Placenta_Crossing_Top_Rank": -0.0882125, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C", "InChI_key": "IAVUPMFITXYVAF-XPUUQOCRSA-N" } }, "CID:688272": { "type": "Drug", "properties": { "id": "CID:688272", "label": "sulpiride", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/688272", "IDG_ID": "1577", "FDA_Category_D_L1000_Similarity": 1.74419, "FDA_Category_D_Structural_Similarity": 4.17148, "FDA_Category_D_Weighted_Contribution": 4.06046, "FDA_Category_D_Top_Rank": 0.605802, "FDA_Category_X_L1000_Similarity": 1.82126, "FDA_Category_X_Structural_Similarity": 0.74143, "FDA_Category_X_Weighted_Contribution": 1.6739, "FDA_Category_X_Top_Rank": -0.0158523, "FDA_Category_D_and_X_L1000_Similarity": 2.0566, "FDA_Category_D_and_X_Structural_Similarity": 3.71103, "FDA_Category_D_and_X_Weighted_Contribution": 3.85795, "FDA_Category_D_and_X_Top_Rank": 0.534938, "Placenta_Crossing_L1000_Similarity": 2.61785, "Placenta_Crossing_Structural_Similarity": 5.21727, "Placenta_Crossing_Weighted_Contribution": 4.26314, "Placenta_Crossing_Top_Rank": 1.19091, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC", "InChI_key": "BGRJTUBHPOOWDU-NSHDSACASA-N" } }, "CID:73078": { "type": "Drug", "properties": { "id": "CID:73078", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73078", "label": "tetrandrine", "FDA_Category_D_L1000_Similarity": -2.33516, "FDA_Category_D_Structural_Similarity": -0.634654, "FDA_Category_D_Weighted_Contribution": -1.40881, "FDA_Category_D_Top_Rank": -0.0953506, "FDA_Category_X_L1000_Similarity": 1.54835, "FDA_Category_X_Structural_Similarity": 0.387684, "FDA_Category_X_Weighted_Contribution": 1.11594, "FDA_Category_X_Top_Rank": -0.044146, "FDA_Category_D_and_X_L1000_Similarity": -1.54274, "FDA_Category_D_and_X_Structural_Similarity": -0.294541, "FDA_Category_D_and_X_Weighted_Contribution": -0.989489, "FDA_Category_D_and_X_Top_Rank": -0.0916483, "Placenta_Crossing_L1000_Similarity": -2.48627, "Placenta_Crossing_Structural_Similarity": -0.595166, "Placenta_Crossing_Weighted_Contribution": -1.3461, "Placenta_Crossing_Top_Rank": -0.0905226, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC", "InChI_key": "WVTKBKWTSCPRNU-KYJUHHDHSA-N" } }, "CID:11977753": { "type": "Drug", "properties": { "id": "CID:11977753", "label": "dactolisib", "lsm": "LSM-4255", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11977753", "FDA_Category_D_L1000_Similarity": -2.24726, "FDA_Category_D_Structural_Similarity": -0.0268956, "FDA_Category_D_Weighted_Contribution": -1.09848, "FDA_Category_D_Top_Rank": -0.0857358, "FDA_Category_X_L1000_Similarity": -2.2294, "FDA_Category_X_Structural_Similarity": -0.233038, "FDA_Category_X_Weighted_Contribution": -1.14494, "FDA_Category_X_Top_Rank": -0.0851921, "FDA_Category_D_and_X_L1000_Similarity": -2.6142, "FDA_Category_D_and_X_Structural_Similarity": -0.147094, "FDA_Category_D_and_X_Weighted_Contribution": -1.22749, "FDA_Category_D_and_X_Top_Rank": -0.0892273, "Placenta_Crossing_L1000_Similarity": -2.13085, "Placenta_Crossing_Structural_Similarity": -0.986625, "Placenta_Crossing_Weighted_Contribution": -1.42967, "Placenta_Crossing_Top_Rank": -0.0924218, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5", "InChI_key": "JOGKUKXHTYWRGZ-UHFFFAOYSA-N" } }, "CID:9687": { "type": "Drug", "properties": { "id": "CID:9687", "label": "bucladesine", "lsm": "LSM-1341", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9687", "FDA_Category_D_L1000_Similarity": 0.74371, "FDA_Category_D_Structural_Similarity": 0.104399, "FDA_Category_D_Weighted_Contribution": 0.413017, "FDA_Category_D_Top_Rank": -0.0780667, "FDA_Category_X_L1000_Similarity": 1.32097, "FDA_Category_X_Structural_Similarity": 0.854283, "FDA_Category_X_Weighted_Contribution": 1.51821, "FDA_Category_X_Top_Rank": -0.0475502, "FDA_Category_D_and_X_L1000_Similarity": 1.04225, "FDA_Category_D_and_X_Structural_Similarity": 0.543831, "FDA_Category_D_and_X_Weighted_Contribution": 0.992985, "FDA_Category_D_and_X_Top_Rank": -0.0663774, "Placenta_Crossing_L1000_Similarity": 3.07306, "Placenta_Crossing_Structural_Similarity": -0.340365, "Placenta_Crossing_Weighted_Contribution": 1.09931, "Placenta_Crossing_Top_Rank": 1.22235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC", "InChI_key": "CJGYSWNGNKCJSB-YVLZZHOMSA-N" } }, "CID:2214": { "type": "Drug", "properties": { "id": "CID:2214", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2214", "label": "apocynin", "FDA_Category_D_L1000_Similarity": -0.445973, "FDA_Category_D_Structural_Similarity": 0.125095, "FDA_Category_D_Weighted_Contribution": -0.235507, "FDA_Category_D_Top_Rank": -0.081895, "FDA_Category_X_L1000_Similarity": -0.68445, "FDA_Category_X_Structural_Similarity": -0.578066, "FDA_Category_X_Weighted_Contribution": -0.876769, "FDA_Category_X_Top_Rank": -0.0906032, "FDA_Category_D_and_X_L1000_Similarity": -0.592288, "FDA_Category_D_and_X_Structural_Similarity": -0.212633, "FDA_Category_D_and_X_Weighted_Contribution": -0.58067, "FDA_Category_D_and_X_Top_Rank": -0.0904485, "Placenta_Crossing_L1000_Similarity": 0.980141, "Placenta_Crossing_Structural_Similarity": 0.586199, "Placenta_Crossing_Weighted_Contribution": 0.95357, "Placenta_Crossing_Top_Rank": -0.0671887, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)C1=CC(=C(C=C1)O)OC", "InChI_key": "DFYRUELUNQRZTB-UHFFFAOYSA-N" } }, "CID:5286239": { "type": "Drug", "properties": { "id": "CID:5286239", "label": "mw-mitf28", "lsm": "LSM-4514", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5286239", "FDA_Category_D_L1000_Similarity": 2.7004, "FDA_Category_D_Structural_Similarity": 0.32024, "FDA_Category_D_Weighted_Contribution": 1.87821, "FDA_Category_D_Top_Rank": 1.49197, "FDA_Category_X_L1000_Similarity": 0.716681, "FDA_Category_X_Structural_Similarity": -0.499567, "FDA_Category_X_Weighted_Contribution": -0.253198, "FDA_Category_X_Top_Rank": -0.0788324, "FDA_Category_D_and_X_L1000_Similarity": 2.54543, "FDA_Category_D_and_X_Structural_Similarity": -0.0153859, "FDA_Category_D_and_X_Weighted_Contribution": 1.29636, "FDA_Category_D_and_X_Top_Rank": 0.556938, "Placenta_Crossing_L1000_Similarity": 1.94635, "Placenta_Crossing_Structural_Similarity": -0.183563, "Placenta_Crossing_Weighted_Contribution": 0.655969, "Placenta_Crossing_Top_Rank": 0.0309048, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)CSC1=NC(=O)C(=CC2=CC=C(C=C2)Cl)S1", "InChI_key": "ZAKMNXNKYSLRSY-YRNVUSSQSA-N" } }, "CID:10173277": { "type": "Drug", "properties": { "id": "CID:10173277", "label": "apilimod", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10173277", "FDA_Category_D_L1000_Similarity": -2.821, "FDA_Category_D_Structural_Similarity": -0.595645, "FDA_Category_D_Weighted_Contribution": -1.49986, "FDA_Category_D_Top_Rank": -0.0950025, "FDA_Category_X_L1000_Similarity": 1.357, "FDA_Category_X_Structural_Similarity": 1.29907, "FDA_Category_X_Weighted_Contribution": 2.03492, "FDA_Category_X_Top_Rank": -0.0203224, "FDA_Category_D_and_X_L1000_Similarity": -2.01965, "FDA_Category_D_and_X_Structural_Similarity": 0.228202, "FDA_Category_D_and_X_Weighted_Contribution": -0.832059, "FDA_Category_D_and_X_Top_Rank": -0.0810941, "Placenta_Crossing_L1000_Similarity": -3.18336, "Placenta_Crossing_Structural_Similarity": -0.233327, "Placenta_Crossing_Weighted_Contribution": -1.34267, "Placenta_Crossing_Top_Rank": -0.0864567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4", "InChI_key": "HSKAZIJJKRAJAV-KOEQRZSOSA-N" } }, "CID:5405": { "type": "Drug", "properties": { "id": "CID:5405", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5405", "label": "terfenadine", "FDA_Category_D_L1000_Similarity": -3.72553, "FDA_Category_D_Structural_Similarity": 0.00462776, "FDA_Category_D_Weighted_Contribution": -1.47491, "FDA_Category_D_Top_Rank": -0.0851192, "FDA_Category_X_L1000_Similarity": 0.95547, "FDA_Category_X_Structural_Similarity": 0.71387, "FDA_Category_X_Weighted_Contribution": 1.14955, "FDA_Category_X_Top_Rank": -0.0534321, "FDA_Category_D_and_X_L1000_Similarity": -2.92131, "FDA_Category_D_and_X_Structural_Similarity": 0.388874, "FDA_Category_D_and_X_Weighted_Contribution": -1.04051, "FDA_Category_D_and_X_Top_Rank": -0.0771206, "Placenta_Crossing_L1000_Similarity": -3.6314, "Placenta_Crossing_Structural_Similarity": -0.146426, "Placenta_Crossing_Weighted_Contribution": -1.39951, "Placenta_Crossing_Top_Rank": -0.0851096, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O", "InChI_key": "GUGOEEXESWIERI-UHFFFAOYSA-N" } }, "CID:775191": { "type": "Drug", "properties": { "id": "CID:775191", "label": "DAC-012", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/775191", "FDA_Category_D_L1000_Similarity": 2.69598, "FDA_Category_X_L1000_Similarity": -0.0370735, "FDA_Category_D_and_X_L1000_Similarity": 2.31272, "Placenta_Crossing_L1000_Similarity": 2.47962, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:1379247": { "type": "Drug", "properties": { "id": "CID:1379247", "label": "DAC-004", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1379247", "FDA_Category_D_L1000_Similarity": 1.47208, "FDA_Category_X_L1000_Similarity": -0.881539, "FDA_Category_D_and_X_L1000_Similarity": 1.00125, "Placenta_Crossing_L1000_Similarity": 1.69175, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:42611257": { "type": "Drug", "properties": { "id": "CID:42611257", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID42611257", "label": "vemurafenib", "FDA_Category_D_L1000_Similarity": -0.0810045, "FDA_Category_D_Structural_Similarity": 1.32774, "FDA_Category_D_Weighted_Contribution": 1.2067, "FDA_Category_D_Top_Rank": -0.0323256, "FDA_Category_X_L1000_Similarity": -1.34116, "FDA_Category_X_Structural_Similarity": -0.332726, "FDA_Category_X_Weighted_Contribution": -0.932981, "FDA_Category_X_Top_Rank": -0.0870574, "FDA_Category_D_and_X_L1000_Similarity": -0.477112, "FDA_Category_D_and_X_Structural_Similarity": 0.874307, "FDA_Category_D_and_X_Weighted_Contribution": 0.44778, "FDA_Category_D_and_X_Top_Rank": -0.0597085, "Placenta_Crossing_L1000_Similarity": 0.341253, "Placenta_Crossing_Structural_Similarity": -0.355187, "Placenta_Crossing_Weighted_Contribution": -0.294006, "Placenta_Crossing_Top_Rank": -0.085177, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F", "InChI_key": "GPXBXXGIAQBQNI-UHFFFAOYSA-N" } }, "CID:49846579": { "type": "Drug", "properties": { "id": "CID:49846579", "label": "venetoclax", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/49846579", "FDA_Category_D_L1000_Similarity": 1.4094, "FDA_Category_D_Structural_Similarity": -0.39499, "FDA_Category_D_Weighted_Contribution": 0.301366, "FDA_Category_D_Top_Rank": -0.0234872, "FDA_Category_X_L1000_Similarity": 1.17707, "FDA_Category_X_Structural_Similarity": -0.467238, "FDA_Category_X_Weighted_Contribution": -0.00481553, "FDA_Category_X_Top_Rank": -0.065394, "FDA_Category_D_and_X_L1000_Similarity": 1.57237, "FDA_Category_D_and_X_Structural_Similarity": -0.565628, "FDA_Category_D_and_X_Weighted_Contribution": 0.159706, "FDA_Category_D_and_X_Top_Rank": -0.0121193, "Placenta_Crossing_L1000_Similarity": 2.36667, "Placenta_Crossing_Structural_Similarity": 1.0863, "Placenta_Crossing_Weighted_Contribution": 2.21947, "Placenta_Crossing_Top_Rank": 0.186662, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C", "InChI_key": "LQBVNQSMGBZMKD-UHFFFAOYSA-N" } }, "CID:5394": { "type": "Drug", "properties": { "id": "CID:5394", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5394", "label": "temozolomide", "FDA_Category_D_L1000_Similarity": 2.29873, "FDA_Category_D_Structural_Similarity": 0.307375, "FDA_Category_D_Weighted_Contribution": 1.61351, "FDA_Category_D_Top_Rank": 0.476905, "FDA_Category_X_L1000_Similarity": 3.73973, "FDA_Category_X_Structural_Similarity": -0.573684, "FDA_Category_X_Weighted_Contribution": 1.27013, "FDA_Category_X_Top_Rank": 3.28903, "FDA_Category_D_and_X_L1000_Similarity": 3.11722, "FDA_Category_D_and_X_Structural_Similarity": -0.0655899, "FDA_Category_D_and_X_Weighted_Contribution": 1.58404, "FDA_Category_D_and_X_Top_Rank": 2.28939, "Placenta_Crossing_L1000_Similarity": 3.96129, "Placenta_Crossing_Structural_Similarity": 1.12764, "Placenta_Crossing_Weighted_Contribution": 2.96405, "Placenta_Crossing_Top_Rank": 17.9509, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CN1C(=O)N2C=NC(=C2N=N1)C(=O)N", "InChI_key": "BPEGJWRSRHCHSN-UHFFFAOYSA-N" } }, "CID:9957280": { "type": "Drug", "properties": { "id": "CID:9957280", "label": "nnc-55-0396", "lsm": "LSM-3754", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9957280", "FDA_Category_D_L1000_Similarity": -3.7959, "FDA_Category_D_Structural_Similarity": -0.597883, "FDA_Category_D_Weighted_Contribution": -1.66977, "FDA_Category_D_Top_Rank": -0.0950255, "FDA_Category_X_L1000_Similarity": -1.79663, "FDA_Category_X_Structural_Similarity": 1.07259, "FDA_Category_X_Weighted_Contribution": 0.0462003, "FDA_Category_X_Top_Rank": -0.0370715, "FDA_Category_D_and_X_L1000_Similarity": -3.81772, "FDA_Category_D_and_X_Structural_Similarity": 0.104219, "FDA_Category_D_and_X_Weighted_Contribution": -1.40639, "FDA_Category_D_and_X_Top_Rank": -0.0839545, "Placenta_Crossing_L1000_Similarity": -4.9852, "Placenta_Crossing_Structural_Similarity": 0.00170378, "Placenta_Crossing_Weighted_Contribution": -1.58162, "Placenta_Crossing_Top_Rank": -0.0823202, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F", "InChI_key": "VHHVPDKNKPNKHY-JDXGNMNLSA-N" } }, "CID:4086": { "type": "Drug", "properties": { "id": "CID:4086", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID4086", "label": "orciprenaline", "FDA_Category_D_L1000_Similarity": 1.27436, "FDA_Category_D_Structural_Similarity": -0.469836, "FDA_Category_D_Weighted_Contribution": 0.148383, "FDA_Category_D_Top_Rank": -0.0403048, "FDA_Category_X_L1000_Similarity": 2.13965, "FDA_Category_X_Structural_Similarity": 0.38246, "FDA_Category_X_Weighted_Contribution": 1.44748, "FDA_Category_X_Top_Rank": 0.0385422, "FDA_Category_D_and_X_L1000_Similarity": 1.74829, "FDA_Category_D_and_X_Structural_Similarity": -0.166541, "FDA_Category_D_and_X_Weighted_Contribution": 0.660503, "FDA_Category_D_and_X_Top_Rank": 0.0228743, "Placenta_Crossing_L1000_Similarity": 2.22278, "Placenta_Crossing_Structural_Similarity": 6.36774, "Placenta_Crossing_Weighted_Contribution": 4.35316, "Placenta_Crossing_Top_Rank": 2.60906, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)NCC(C1=CC(=CC(=C1)O)O)O", "InChI_key": "LMOINURANNBYCM-UHFFFAOYSA-N" } }, "CID:5282054": { "type": "Drug", "properties": { "id": "CID:5282054", "label": "cerulenin", "lsm": "LSM-5629", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5282054", "FDA_Category_D_L1000_Similarity": -1.31488, "FDA_Category_D_Structural_Similarity": 0.100352, "FDA_Category_D_Weighted_Contribution": -0.666682, "FDA_Category_D_Top_Rank": -0.0825791, "FDA_Category_X_L1000_Similarity": -0.0123478, "FDA_Category_X_Structural_Similarity": 4.90517, "FDA_Category_X_Weighted_Contribution": 4.14588, "FDA_Category_X_Top_Rank": 0.985876, "FDA_Category_D_and_X_L1000_Similarity": -1.13719, "FDA_Category_D_and_X_Structural_Similarity": 2.72646, "FDA_Category_D_and_X_Weighted_Contribution": 2.00422, "FDA_Category_D_and_X_Top_Rank": 0.14129, "Placenta_Crossing_L1000_Similarity": -1.10609, "Placenta_Crossing_Structural_Similarity": 1.85561, "Placenta_Crossing_Weighted_Contribution": 1.18131, "Placenta_Crossing_Top_Rank": 0.0163937, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=CCC=CCCC(=O)C1C(O1)C(=O)N", "InChI_key": "GVEZIHKRYBHEFX-NQQPLRFYSA-N" } }, "CID:5614": { "type": "Drug", "properties": { "id": "CID:5614", "label": "tyrphostin-a9", "lsm": "LSM-4617", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5614", "FDA_Category_D_L1000_Similarity": -2.37292, "FDA_Category_D_Structural_Similarity": -0.568368, "FDA_Category_D_Weighted_Contribution": -1.39112, "FDA_Category_D_Top_Rank": -0.094762, "FDA_Category_X_L1000_Similarity": -1.55774, "FDA_Category_X_Structural_Similarity": -0.576822, "FDA_Category_X_Weighted_Contribution": -1.1493, "FDA_Category_X_Top_Rank": -0.0908062, "FDA_Category_D_and_X_L1000_Similarity": -2.51855, "FDA_Category_D_and_X_Structural_Similarity": -0.762372, "FDA_Category_D_and_X_Weighted_Contribution": -1.45672, "FDA_Category_D_and_X_Top_Rank": -0.0957629, "Placenta_Crossing_L1000_Similarity": -3.13386, "Placenta_Crossing_Structural_Similarity": -0.666702, "Placenta_Crossing_Weighted_Contribution": -1.49681, "Placenta_Crossing_Top_Rank": -0.0910314, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N", "InChI_key": "MZOPWQKISXCCTP-UHFFFAOYSA-N" } }, "CID:67278": { "type": "Drug", "properties": { "id": "CID:67278", "label": "phenoxazine", "lsm": "LSM-4657", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/67278", "FDA_Category_D_L1000_Similarity": 1.56269, "FDA_Category_D_Structural_Similarity": -0.876188, "FDA_Category_D_Weighted_Contribution": -0.077652, "FDA_Category_D_Top_Rank": 0.00541972, "FDA_Category_X_L1000_Similarity": 0.29864, "FDA_Category_X_Structural_Similarity": -0.449632, "FDA_Category_X_Weighted_Contribution": -0.394743, "FDA_Category_X_Top_Rank": -0.08495, "FDA_Category_D_and_X_L1000_Similarity": 1.43776, "FDA_Category_D_and_X_Structural_Similarity": -0.938061, "FDA_Category_D_and_X_Weighted_Contribution": -0.248873, "FDA_Category_D_and_X_Top_Rank": -0.0318927, "Placenta_Crossing_L1000_Similarity": 2.07424, "Placenta_Crossing_Structural_Similarity": -1.02414, "Placenta_Crossing_Weighted_Contribution": -0.109147, "Placenta_Crossing_Top_Rank": 0.0662567, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)NC3=CC=CC=C3O2", "InChI_key": "TZMSYXZUNZXBOL-UHFFFAOYSA-N" } }, "CID:107780": { "type": "Drug", "properties": { "id": "CID:107780", "label": "gr-127935", "lsm": "LSM-2243", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/107780", "FDA_Category_D_L1000_Similarity": -3.12036, "FDA_Category_D_Structural_Similarity": -0.182147, "FDA_Category_D_Weighted_Contribution": -1.41169, "FDA_Category_D_Top_Rank": -0.0891463, "FDA_Category_X_L1000_Similarity": 1.72259, "FDA_Category_X_Structural_Similarity": -0.100657, "FDA_Category_X_Weighted_Contribution": 0.66496, "FDA_Category_X_Top_Rank": -0.0282162, "FDA_Category_D_and_X_L1000_Similarity": -2.16669, "FDA_Category_D_and_X_Structural_Similarity": -0.198887, "FDA_Category_D_and_X_Weighted_Contribution": -1.12922, "FDA_Category_D_and_X_Top_Rank": -0.090215, "Placenta_Crossing_L1000_Similarity": -3.24238, "Placenta_Crossing_Structural_Similarity": -0.508651, "Placenta_Crossing_Weighted_Contribution": -1.46106, "Placenta_Crossing_Top_Rank": -0.0897786, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)N5CCN(CC5)C", "InChI_key": "YDBCEBYHYKAFRX-UHFFFAOYSA-N" } }, "CID:11656518": { "type": "Drug", "properties": { "id": "CID:11656518", "label": "raf-265", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/11656518", "FDA_Category_D_L1000_Similarity": -1.40357, "FDA_Category_D_Structural_Similarity": -0.577013, "FDA_Category_D_Weighted_Contribution": -1.12896, "FDA_Category_D_Top_Rank": -0.0948274, "FDA_Category_X_L1000_Similarity": -2.52039, "FDA_Category_X_Structural_Similarity": -0.638784, "FDA_Category_X_Weighted_Contribution": -1.41917, "FDA_Category_X_Top_Rank": -0.0914571, "FDA_Category_D_and_X_L1000_Similarity": -1.97529, "FDA_Category_D_and_X_Structural_Similarity": -0.802669, "FDA_Category_D_and_X_Weighted_Contribution": -1.35723, "FDA_Category_D_and_X_Top_Rank": -0.0959631, "Placenta_Crossing_L1000_Similarity": -1.8997, "Placenta_Crossing_Structural_Similarity": -0.442033, "Placenta_Crossing_Weighted_Contribution": -1.13441, "Placenta_Crossing_Top_Rank": -0.0891453, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F", "InChI_key": "YABJJWZLRMPFSI-UHFFFAOYSA-N" } }, "CID:216239": { "type": "Drug", "properties": { "id": "CID:216239", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID216239", "label": "sorafenib", "FDA_Category_D_L1000_Similarity": 0.657743, "FDA_Category_D_Structural_Similarity": -0.13949, "FDA_Category_D_Weighted_Contribution": 0.118418, "FDA_Category_D_Top_Rank": -0.0809603, "FDA_Category_X_L1000_Similarity": -2.3834, "FDA_Category_X_Structural_Similarity": 0.0422213, "FDA_Category_X_Weighted_Contribution": -1.02713, "FDA_Category_X_Top_Rank": -0.078751, "FDA_Category_D_and_X_L1000_Similarity": -0.156804, "FDA_Category_D_and_X_Structural_Similarity": -0.0879328, "FDA_Category_D_and_X_Weighted_Contribution": -0.286169, "FDA_Category_D_and_X_Top_Rank": -0.0880709, "Placenta_Crossing_L1000_Similarity": 0.502265, "Placenta_Crossing_Structural_Similarity": -0.0159175, "Placenta_Crossing_Weighted_Contribution": 0.0869242, "Placenta_Crossing_Top_Rank": -0.0826174, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F", "InChI_key": "MLDQJTXFUGDVEO-UHFFFAOYSA-N" } }, "CID:3019": { "type": "Drug", "properties": { "id": "CID:3019", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3019", "label": "diazoxide", "ref": "LSM-3639", "FDA_Category_D_L1000_Similarity": 0.517331, "FDA_Category_D_Structural_Similarity": -0.959818, "FDA_Category_D_Weighted_Contribution": -0.657301, "FDA_Category_D_Top_Rank": -0.0848961, "FDA_Category_X_L1000_Similarity": 1.89817, "FDA_Category_X_Structural_Similarity": -0.457288, "FDA_Category_X_Weighted_Contribution": 0.373879, "FDA_Category_X_Top_Rank": -0.00548363, "FDA_Category_D_and_X_L1000_Similarity": 1.02238, "FDA_Category_D_and_X_Structural_Similarity": -1.00857, "FDA_Category_D_and_X_Weighted_Contribution": -0.497282, "FDA_Category_D_and_X_Top_Rank": -0.0677738, "Placenta_Crossing_L1000_Similarity": 2.28789, "Placenta_Crossing_Structural_Similarity": -1.1228, "Placenta_Crossing_Weighted_Contribution": -0.100326, "Placenta_Crossing_Top_Rank": 0.151203, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl", "InChI_key": "GDLBFKVLRPITMI-UHFFFAOYSA-N" } }, "CID:51003694": { "type": "Drug", "properties": { "id": "CID:51003694", "label": "emf-sumo1-39", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/51003694", "FDA_Category_D_L1000_Similarity": -2.39871, "FDA_Category_D_Structural_Similarity": -0.686614, "FDA_Category_D_Weighted_Contribution": -1.44329, "FDA_Category_D_Top_Rank": -0.0957393, "FDA_Category_X_L1000_Similarity": -2.37757, "FDA_Category_X_Structural_Similarity": -0.510631, "FDA_Category_X_Weighted_Contribution": -1.32851, "FDA_Category_X_Top_Rank": -0.0899777, "FDA_Category_D_and_X_L1000_Similarity": -2.78974, "FDA_Category_D_and_X_Structural_Similarity": -0.820509, "FDA_Category_D_and_X_Weighted_Contribution": -1.52626, "FDA_Category_D_and_X_Top_Rank": -0.0960459, "Placenta_Crossing_L1000_Similarity": -3.17261, "Placenta_Crossing_Structural_Similarity": -0.701215, "Placenta_Crossing_Weighted_Contribution": -1.51482, "Placenta_Crossing_Top_Rank": -0.0912516, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F", "InChI_key": "OBWBFKKSRSLTHA-UHFFFAOYSA-N" } }, "CID:9855081": { "type": "Drug", "properties": { "id": "CID:9855081", "label": "cyclosporin-a", "lsm": "LSM-1703", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9855081", "FDA_Category_D_L1000_Similarity": -2.49234, "FDA_Category_D_Structural_Similarity": 0.880774, "FDA_Category_D_Weighted_Contribution": -0.598762, "FDA_Category_D_Top_Rank": -0.0568968, "FDA_Category_X_L1000_Similarity": -0.340386, "FDA_Category_X_Structural_Similarity": 0.541532, "FDA_Category_X_Weighted_Contribution": 0.246662, "FDA_Category_X_Top_Rank": -0.0600117, "FDA_Category_D_and_X_L1000_Similarity": -2.25181, "FDA_Category_D_and_X_Structural_Similarity": 0.991291, "FDA_Category_D_and_X_Weighted_Contribution": -0.365623, "FDA_Category_D_and_X_Top_Rank": -0.0535871, "Placenta_Crossing_L1000_Similarity": -3.00903, "Placenta_Crossing_Structural_Similarity": -0.685112, "Placenta_Crossing_Weighted_Contribution": -1.48147, "Placenta_Crossing_Top_Rank": -0.0911551, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 1, "SMILES": "CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C", "InChI_key": "PMATZTZNYRCHOR-FVTPFZBWSA-N" } }, "CID:25105715": { "type": "Drug", "properties": { "id": "CID:25105715", "label": "cay-10594", "lsm": "LSM-6256", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/25105715", "FDA_Category_D_L1000_Similarity": -1.04162, "FDA_Category_D_Structural_Similarity": -0.766336, "FDA_Category_D_Weighted_Contribution": -1.11676, "FDA_Category_D_Top_Rank": -0.096306, "FDA_Category_X_L1000_Similarity": 2.45179, "FDA_Category_X_Structural_Similarity": 0.155339, "FDA_Category_X_Weighted_Contribution": 1.36661, "FDA_Category_X_Top_Rank": 0.134622, "FDA_Category_D_and_X_L1000_Similarity": -0.153342, "FDA_Category_D_and_X_Structural_Similarity": -0.524431, "FDA_Category_D_and_X_Weighted_Contribution": -0.629307, "FDA_Category_D_and_X_Top_Rank": -0.0933538, "Placenta_Crossing_L1000_Similarity": -1.11009, "Placenta_Crossing_Structural_Similarity": 0.459358, "Placenta_Crossing_Weighted_Contribution": -0.22648, "Placenta_Crossing_Top_Rank": -0.0706714, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4", "InChI_key": "FAIFAFUXFFWVNQ-UHFFFAOYSA-N" } }, "CID:5312114": { "type": "Drug", "properties": { "id": "CID:5312114", "label": "cgp-71683", "lsm": "LSM-2692", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5312114", "FDA_Category_D_L1000_Similarity": -3.17945, "FDA_Category_D_Structural_Similarity": -0.556133, "FDA_Category_D_Weighted_Contribution": -1.55624, "FDA_Category_D_Top_Rank": -0.0946733, "FDA_Category_X_L1000_Similarity": -1.78749, "FDA_Category_X_Structural_Similarity": -0.587373, "FDA_Category_X_Weighted_Contribution": -1.21819, "FDA_Category_X_Top_Rank": -0.0909297, "FDA_Category_D_and_X_L1000_Similarity": -3.28357, "FDA_Category_D_and_X_Structural_Similarity": -0.758354, "FDA_Category_D_and_X_Weighted_Contribution": -1.58933, "FDA_Category_D_and_X_Top_Rank": -0.0957351, "Placenta_Crossing_L1000_Similarity": -4.47851, "Placenta_Crossing_Structural_Similarity": -0.211117, "Placenta_Crossing_Weighted_Contribution": -1.56863, "Placenta_Crossing_Top_Rank": -0.0860754, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54", "InChI_key": "UULIGRNKXHCLQN-UHFFFAOYSA-N" } }, "CID:1585": { "type": "Drug", "properties": { "id": "CID:1585", "label": "cv-1808", "lsm": "LSM-1705", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1585", "FDA_Category_D_L1000_Similarity": 1.19671, "FDA_Category_D_Structural_Similarity": 3.06712, "FDA_Category_D_Weighted_Contribution": 3.45164, "FDA_Category_D_Top_Rank": 0.247013, "FDA_Category_X_L1000_Similarity": 0.510824, "FDA_Category_X_Structural_Similarity": 0.303636, "FDA_Category_X_Weighted_Contribution": 0.444982, "FDA_Category_X_Top_Rank": -0.0696774, "FDA_Category_D_and_X_L1000_Similarity": 1.1867, "FDA_Category_D_and_X_Structural_Similarity": 2.59825, "FDA_Category_D_and_X_Weighted_Contribution": 3.02958, "FDA_Category_D_and_X_Top_Rank": 0.120375, "Placenta_Crossing_L1000_Similarity": 2.63178, "Placenta_Crossing_Structural_Similarity": 1.46939, "Placenta_Crossing_Weighted_Contribution": 2.69448, "Placenta_Crossing_Top_Rank": 0.385136, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N", "InChI_key": "SCNILGOVBBRMBK-UHFFFAOYSA-N" } }, "CID:1776583": { "type": "Drug", "properties": { "id": "CID:1776583", "label": "jas07-006", "lsm": "LSM-3277", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/1776583", "FDA_Category_D_L1000_Similarity": 0.907874, "FDA_Category_X_L1000_Similarity": -0.192181, "FDA_Category_D_and_X_L1000_Similarity": 0.72424, "Placenta_Crossing_L1000_Similarity": -0.212424, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1(C2=C(CC3N1C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2)C", "InChI_key": "ZTKRHVRDOBGROC-IBGZPJMESA-N" } }, "CID:5758458": { "type": "Drug", "properties": { "id": "CID:5758458", "label": "thiazolopyrimidine", "lsm": "LSM-6194", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5758458", "FDA_Category_D_L1000_Similarity": 2.36443, "FDA_Category_D_Structural_Similarity": 0.400019, "FDA_Category_D_Weighted_Contribution": 1.75428, "FDA_Category_D_Top_Rank": 0.597157, "FDA_Category_X_L1000_Similarity": 2.97538, "FDA_Category_X_Structural_Similarity": -0.545847, "FDA_Category_X_Weighted_Contribution": 0.867469, "FDA_Category_X_Top_Rank": 0.510936, "FDA_Category_D_and_X_L1000_Similarity": 2.94174, "FDA_Category_D_and_X_Structural_Similarity": 0.0229635, "FDA_Category_D_and_X_Weighted_Contribution": 1.57367, "FDA_Category_D_and_X_Top_Rank": 1.53748, "Placenta_Crossing_L1000_Similarity": 3.37591, "Placenta_Crossing_Structural_Similarity": 0.243209, "Placenta_Crossing_Weighted_Contribution": 1.88621, "Placenta_Crossing_Top_Rank": 2.90988, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=C(C(=C5)Br)O)Br)S2)C", "InChI_key": "BFPUTOLDOXKQRH-LSCVHKIXSA-N" } }, "CID:24768935": { "type": "Drug", "properties": { "id": "CID:24768935", "label": "bms-641988", "lsm": "LSM-6248", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/24768935", "FDA_Category_D_L1000_Similarity": 1.0272, "FDA_Category_D_Structural_Similarity": -0.801503, "FDA_Category_D_Weighted_Contribution": -0.291233, "FDA_Category_D_Top_Rank": -0.0638272, "FDA_Category_X_L1000_Similarity": 2.06196, "FDA_Category_X_Structural_Similarity": -0.44123, "FDA_Category_X_Weighted_Contribution": 0.478658, "FDA_Category_X_Top_Rank": 0.0211418, "FDA_Category_D_and_X_L1000_Similarity": 1.51164, "FDA_Category_D_and_X_Structural_Similarity": -0.87425, "FDA_Category_D_and_X_Weighted_Contribution": -0.157153, "FDA_Category_D_and_X_Top_Rank": -0.0215986, "Placenta_Crossing_L1000_Similarity": 2.04606, "Placenta_Crossing_Structural_Similarity": 1.06132, "Placenta_Crossing_Weighted_Contribution": 2.03295, "Placenta_Crossing_Top_Rank": 0.0555027, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCS(=O)(=O)NC1CC2(C3C(C1(O2)C)C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C", "InChI_key": "HYNANJUKEMCYEQ-HIGHGGLBSA-N" } }, "CID:4133412": { "type": "Drug", "properties": { "id": "CID:4133412", "label": "dl-tboa", "lsm": "LSM-6183", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/4133412", "FDA_Category_D_L1000_Similarity": 2.40944, "FDA_Category_D_Structural_Similarity": 0.642824, "FDA_Category_D_Weighted_Contribution": 2.0366, "FDA_Category_D_Top_Rank": 0.672864, "FDA_Category_X_L1000_Similarity": 2.19541, "FDA_Category_X_Structural_Similarity": 0.742994, "FDA_Category_X_Weighted_Contribution": 1.88499, "FDA_Category_X_Top_Rank": 0.0497005, "FDA_Category_D_and_X_L1000_Similarity": 2.74368, "FDA_Category_D_and_X_Structural_Similarity": 0.911135, "FDA_Category_D_and_X_Weighted_Contribution": 2.35323, "FDA_Category_D_and_X_Top_Rank": 1.00116, "Placenta_Crossing_L1000_Similarity": 3.57379, "Placenta_Crossing_Structural_Similarity": -0.833565, "Placenta_Crossing_Weighted_Contribution": 0.842118, "Placenta_Crossing_Top_Rank": 4.82419, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)COC(C(C(=O)O)N)C(=O)O", "InChI_key": "BYOBCYXURWDEDS-UHFFFAOYSA-N" } }, "CID:68617": { "type": "Drug", "properties": { "id": "CID:68617", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID68617", "label": "sertraline", "FDA_Category_D_L1000_Similarity": -1.90338, "FDA_Category_D_Structural_Similarity": -0.358377, "FDA_Category_D_Weighted_Contribution": -1.168, "FDA_Category_D_Top_Rank": -0.0923316, "FDA_Category_X_L1000_Similarity": 3.11367, "FDA_Category_X_Structural_Similarity": -0.707959, "FDA_Category_X_Weighted_Contribution": 0.763461, "FDA_Category_X_Top_Rank": 0.723128, "FDA_Category_D_and_X_L1000_Similarity": -0.695176, "FDA_Category_D_and_X_Structural_Similarity": -0.66646, "FDA_Category_D_and_X_Weighted_Contribution": -0.927971, "FDA_Category_D_and_X_Top_Rank": -0.095248, "Placenta_Crossing_L1000_Similarity": -1.67017, "Placenta_Crossing_Structural_Similarity": -0.440522, "Placenta_Crossing_Weighted_Contribution": -1.07088, "Placenta_Crossing_Top_Rank": -0.0891235, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl", "InChI_key": "VGKDLMBJGBXTGI-SJCJKPOMSA-N" } }, "CID:221493": { "type": "Drug", "properties": { "id": "CID:221493", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID221493", "label": "cholic acid", "FDA_Category_D_L1000_Similarity": 0.237097, "FDA_Category_D_Structural_Similarity": -0.328729, "FDA_Category_D_Weighted_Contribution": -0.2825, "FDA_Category_D_Top_Rank": -0.0896803, "FDA_Category_X_L1000_Similarity": -0.300588, "FDA_Category_X_Structural_Similarity": 0.717572, "FDA_Category_X_Weighted_Contribution": 0.453459, "FDA_Category_X_Top_Rank": -0.0532484, "FDA_Category_D_and_X_L1000_Similarity": 0.113098, "FDA_Category_D_and_X_Structural_Similarity": 0.126282, "FDA_Category_D_and_X_Weighted_Contribution": 0.0400249, "FDA_Category_D_and_X_Top_Rank": -0.0833184, "Placenta_Crossing_L1000_Similarity": -0.196188, "Placenta_Crossing_Structural_Similarity": 0.328343, "Placenta_Crossing_Weighted_Contribution": 0.0773271, "Placenta_Crossing_Top_Rank": -0.074388, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C", "InChI_key": "BHQCQFFYRZLCQQ-OELDTZBJSA-N" } }, "CID:40461270": { "type": "Drug", "properties": { "id": "CID:40461270", "label": "lenalidomide", "lsm": "LSM-6187", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/40461270", "IDG_ID": "3317", "FDA_Category_D_L1000_Similarity": 2.99952, "FDA_Category_D_Structural_Similarity": -0.874808, "FDA_Category_D_Weighted_Contribution": 0.77306, "FDA_Category_D_Top_Rank": 3.99856, "FDA_Category_X_L1000_Similarity": 0.941237, "FDA_Category_X_Structural_Similarity": -0.70625, "FDA_Category_X_Weighted_Contribution": -0.337875, "FDA_Category_X_Top_Rank": -0.0732499, "FDA_Category_D_and_X_L1000_Similarity": 2.87147, "FDA_Category_D_and_X_Structural_Similarity": -1.07544, "FDA_Category_D_and_X_Weighted_Contribution": 0.374487, "FDA_Category_D_and_X_Top_Rank": 1.33242, "Placenta_Crossing_L1000_Similarity": 3.25991, "Placenta_Crossing_Structural_Similarity": -0.960917, "Placenta_Crossing_Weighted_Contribution": 0.540123, "Placenta_Crossing_Top_Rank": 2.06758, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N", "InChI_key": "GOTYRUGSSMKFNF-SNVBAGLBSA-N" } }, "CID:11683005": { "type": "Drug", "properties": { "id": "CID:11683005", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11683005", "label": "darinaparsin", "FDA_Category_D_L1000_Similarity": 2.36928, "FDA_Category_D_Structural_Similarity": 0.270205, "FDA_Category_D_Weighted_Contribution": 1.61798, "FDA_Category_D_Top_Rank": 0.605802, "FDA_Category_X_L1000_Similarity": 0.648068, "FDA_Category_X_Structural_Similarity": -0.535903, "FDA_Category_X_Weighted_Contribution": -0.316878, "FDA_Category_X_Top_Rank": -0.0802283, "FDA_Category_D_and_X_L1000_Similarity": 2.23916, "FDA_Category_D_and_X_Structural_Similarity": -0.0747057, "FDA_Category_D_and_X_Weighted_Contribution": 1.04899, "FDA_Category_D_and_X_Top_Rank": 0.240779, "Placenta_Crossing_L1000_Similarity": 1.79615, "Placenta_Crossing_Structural_Similarity": -0.346041, "Placenta_Crossing_Weighted_Contribution": 0.408972, "Placenta_Crossing_Top_Rank": -0.000232316, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N", "InChI_key": "JGDXFQORBMPJGR-YUMQZZPRSA-N" } }, "CID:3958": { "type": "Drug", "properties": { "id": "CID:3958", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3958", "label": "lorazepam", "ref": "LSM-4970", "FDA_Category_D_L1000_Similarity": 3.3961, "FDA_Category_D_Structural_Similarity": 1.73558, "FDA_Category_D_Weighted_Contribution": 3.42542, "FDA_Category_D_Top_Rank": 57.3205, "FDA_Category_X_L1000_Similarity": 1.18319, "FDA_Category_X_Structural_Similarity": 0.0243844, "FDA_Category_X_Weighted_Contribution": 0.506599, "FDA_Category_X_Top_Rank": -0.0649978, "FDA_Category_D_and_X_L1000_Similarity": 3.28681, "FDA_Category_D_and_X_Structural_Similarity": 1.39071, "FDA_Category_D_and_X_Weighted_Contribution": 3.00757, "FDA_Category_D_and_X_Top_Rank": 4.68182, "Placenta_Crossing_L1000_Similarity": 3.69254, "Placenta_Crossing_Structural_Similarity": 2.49487, "Placenta_Crossing_Weighted_Contribution": 3.70188, "Placenta_Crossing_Top_Rank": 6.67014, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1, "SMILES": "C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl", "InChI_key": "DIWRORZWFLOCLC-UHFFFAOYSA-N" } }, "CID:6477762": { "type": "Drug", "properties": { "id": "CID:6477762", "label": "nsc-632839", "lsm": "LSM-2827", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/6477762", "FDA_Category_D_L1000_Similarity": -2.46571, "FDA_Category_D_Structural_Similarity": -0.271926, "FDA_Category_D_Weighted_Contribution": -1.28656, "FDA_Category_D_Top_Rank": -0.0908851, "FDA_Category_X_L1000_Similarity": -1.90664, "FDA_Category_X_Structural_Similarity": -0.0288873, "FDA_Category_X_Weighted_Contribution": -0.919079, "FDA_Category_X_Top_Rank": -0.0804856, "FDA_Category_D_and_X_L1000_Similarity": -2.7045, "FDA_Category_D_and_X_Structural_Similarity": -0.231419, "FDA_Category_D_and_X_Weighted_Contribution": -1.2888, "FDA_Category_D_and_X_Top_Rank": -0.0906764, "Placenta_Crossing_L1000_Similarity": -2.26761, "Placenta_Crossing_Structural_Similarity": -0.342598, "Placenta_Crossing_Weighted_Contribution": -1.17914, "Placenta_Crossing_Top_Rank": -0.0880454, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)C)C2=O", "InChI_key": "PKCYYPHSCUSQDK-UHWBUFEVSA-N" } }, "CID:17756796": { "type": "Drug", "properties": { "id": "CID:17756796", "label": "bibu-1361", "lsm": "LSM-3083", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/17756796", "FDA_Category_D_L1000_Similarity": -3.0104, "FDA_Category_D_Structural_Similarity": -0.39115, "FDA_Category_D_Weighted_Contribution": -1.46657, "FDA_Category_D_Top_Rank": -0.0927943, "FDA_Category_X_L1000_Similarity": 0.713214, "FDA_Category_X_Structural_Similarity": -0.637976, "FDA_Category_X_Weighted_Contribution": -0.378131, "FDA_Category_X_Top_Rank": -0.0788863, "FDA_Category_D_and_X_L1000_Similarity": -2.37842, "FDA_Category_D_and_X_Structural_Similarity": -0.65471, "FDA_Category_D_and_X_Weighted_Contribution": -1.38808, "FDA_Category_D_and_X_Top_Rank": -0.0951689, "Placenta_Crossing_L1000_Similarity": -3.33763, "Placenta_Crossing_Structural_Similarity": 0.945116, "Placenta_Crossing_Weighted_Contribution": -0.733428, "Placenta_Crossing_Top_Rank": -0.0526317, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCN(CC)CC1CCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl", "InChI_key": "JUGSLZCFNSTKBN-UHFFFAOYSA-N" } }, "CID:63306": { "type": "Drug", "properties": { "id": "CID:63306", "label": "nu1025", "lsm": "LSM-4643", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/63306", "FDA_Category_D_L1000_Similarity": 0.946064, "FDA_Category_D_Structural_Similarity": -0.828977, "FDA_Category_D_Weighted_Contribution": -0.355223, "FDA_Category_D_Top_Rank": -0.0687873, "FDA_Category_X_L1000_Similarity": 0.785094, "FDA_Category_X_Structural_Similarity": -0.74339, "FDA_Category_X_Weighted_Contribution": -0.438, "FDA_Category_X_Top_Rank": -0.0772852, "FDA_Category_D_and_X_L1000_Similarity": 1.05394, "FDA_Category_D_and_X_Structural_Similarity": -1.0591, "FDA_Category_D_and_X_Weighted_Contribution": -0.5227, "FDA_Category_D_and_X_Top_Rank": -0.0657342, "Placenta_Crossing_L1000_Similarity": 2.37192, "Placenta_Crossing_Structural_Similarity": -0.115762, "Placenta_Crossing_Weighted_Contribution": 0.957976, "Placenta_Crossing_Top_Rank": 0.194364, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=NC(=O)C2=C(N1)C(=CC=C2)O", "InChI_key": "YJDAOHJWLUNFLX-UHFFFAOYSA-N" } }, "CID:667476": { "type": "Drug", "properties": { "id": "CID:667476", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID667476", "label": "dienestrol", "FDA_Category_D_L1000_Similarity": 2.36322, "FDA_Category_D_Structural_Similarity": -0.769803, "FDA_Category_D_Weighted_Contribution": 0.489744, "FDA_Category_D_Top_Rank": 0.580483, "FDA_Category_X_L1000_Similarity": 0.162521, "FDA_Category_X_Structural_Similarity": -0.624881, "FDA_Category_X_Weighted_Contribution": -0.597157, "FDA_Category_X_Top_Rank": -0.086297, "FDA_Category_D_and_X_L1000_Similarity": 2.0865, "FDA_Category_D_and_X_Structural_Similarity": -0.948186, "FDA_Category_D_and_X_Weighted_Contribution": 0.0698402, "FDA_Category_D_and_X_Top_Rank": 0.143388, "Placenta_Crossing_L1000_Similarity": 2.63864, "Placenta_Crossing_Structural_Similarity": -0.840689, "Placenta_Crossing_Weighted_Contribution": 0.340962, "Placenta_Crossing_Top_Rank": 0.398442, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O", "InChI_key": "NFDFQCUYFHCNBW-SCGPFSFSSA-N" } }, "CID:11658860": { "type": "Drug", "properties": { "id": "CID:11658860", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11658860", "label": "lorcaserin", "FDA_Category_D_L1000_Similarity": 0.96667, "FDA_Category_D_Structural_Similarity": -0.889326, "FDA_Category_D_Weighted_Contribution": -0.395628, "FDA_Category_D_Top_Rank": -0.0671067, "FDA_Category_X_L1000_Similarity": 0.199292, "FDA_Category_X_Structural_Similarity": 2.14252, "FDA_Category_X_Weighted_Contribution": 2.31627, "FDA_Category_X_Top_Rank": 0.0595733, "FDA_Category_D_and_X_L1000_Similarity": 0.893801, "FDA_Category_D_and_X_Structural_Similarity": 0.450227, "FDA_Category_D_and_X_Weighted_Contribution": 0.805128, "FDA_Category_D_and_X_Top_Rank": -0.0743769, "Placenta_Crossing_L1000_Similarity": -0.186299, "Placenta_Crossing_Structural_Similarity": -0.035595, "Placenta_Crossing_Weighted_Contribution": -0.249353, "Placenta_Crossing_Top_Rank": -0.082978, "FDA_Category_D": 0, "FDA_Category_X": 1, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 0, "SMILES": "CC1CNCCC2=C1C=C(C=C2)Cl", "InChI_key": "XTTZERNUQAFMOF-QMMMGPOBSA-N" } }, "CID:5281672": { "type": "Drug", "properties": { "id": "CID:5281672", "label": "myricetin", "lsm": "LSM-2957", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5281672", "FDA_Category_D_L1000_Similarity": 2.46348, "FDA_Category_D_Structural_Similarity": 0.567225, "FDA_Category_D_Weighted_Contribution": 1.99123, "FDA_Category_D_Top_Rank": 0.83824, "FDA_Category_X_L1000_Similarity": 3.37475, "FDA_Category_X_Structural_Similarity": -0.686387, "FDA_Category_X_Weighted_Contribution": 0.934291, "FDA_Category_X_Top_Rank": 1.32814, "FDA_Category_D_and_X_L1000_Similarity": 3.14841, "FDA_Category_D_and_X_Structural_Similarity": 0.0798422, "FDA_Category_D_and_X_Weighted_Contribution": 1.75467, "FDA_Category_D_and_X_Top_Rank": 2.76787, "Placenta_Crossing_L1000_Similarity": 2.89015, "Placenta_Crossing_Structural_Similarity": -0.0607959, "Placenta_Crossing_Weighted_Contribution": 1.30122, "Placenta_Crossing_Top_Rank": 0.722094, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O", "InChI_key": "IKMDFBPHZNJCSN-UHFFFAOYSA-N" } }, "CID:236702": { "type": "Drug", "properties": { "id": "CID:236702", "label": "dexamethasone acetate", "lsm": "LSM-1303", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/236702", "drugcentral_id": "824", "IDG_ID": "824", "FDA_Category_D_L1000_Similarity": 0.814302, "FDA_Category_X_L1000_Similarity": 0.315831, "FDA_Category_D_and_X_L1000_Similarity": 0.797863, "Placenta_Crossing_L1000_Similarity": 0.848527, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C", "InChI_key": "AKUJBENLRBOFTD-RPRRAYFGSA-N" } }, "CID:3894573": { "type": "Drug", "properties": { "id": "CID:3894573", "label": "rs-17053", "lsm": "LSM-3721", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/3894573", "FDA_Category_D_L1000_Similarity": -4.10746, "FDA_Category_D_Structural_Similarity": 0.862698, "FDA_Category_D_Weighted_Contribution": -1.20344, "FDA_Category_D_Top_Rank": -0.0580581, "FDA_Category_X_L1000_Similarity": 0.81661, "FDA_Category_X_Structural_Similarity": 2.66111, "FDA_Category_X_Weighted_Contribution": 3.09369, "FDA_Category_X_Top_Rank": 0.138684, "FDA_Category_D_and_X_L1000_Similarity": -3.2927, "FDA_Category_D_and_X_Structural_Similarity": 2.12066, "FDA_Category_D_and_X_Weighted_Contribution": 0.120512, "FDA_Category_D_and_X_Top_Rank": 0.0500725, "Placenta_Crossing_L1000_Similarity": -4.10403, "Placenta_Crossing_Structural_Similarity": 0.618556, "Placenta_Crossing_Weighted_Contribution": -1.1642, "Placenta_Crossing_Top_Rank": -0.0660183, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4", "InChI_key": "XLZHXAXXJVKTFM-UHFFFAOYSA-N" } }, "CID:172813": { "type": "Drug", "properties": { "id": "CID:172813", "label": "gly-gly-palo", "lsm": "LSM-6223", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/172813", "FDA_Category_D_L1000_Similarity": 2.36441, "FDA_Category_D_Structural_Similarity": -0.328195, "FDA_Category_D_Weighted_Contribution": 0.962052, "FDA_Category_D_Top_Rank": 0.588719, "FDA_Category_X_L1000_Similarity": 1.80475, "FDA_Category_X_Structural_Similarity": -0.511516, "FDA_Category_X_Weighted_Contribution": 0.267827, "FDA_Category_X_Top_Rank": -0.0186173, "FDA_Category_D_and_X_L1000_Similarity": 2.58623, "FDA_Category_D_and_X_Structural_Similarity": -0.536505, "FDA_Category_D_and_X_Weighted_Contribution": 0.765041, "FDA_Category_D_and_X_Top_Rank": 0.652461, "Placenta_Crossing_L1000_Similarity": 2.92395, "Placenta_Crossing_Structural_Similarity": -0.389751, "Placenta_Crossing_Weighted_Contribution": 0.964491, "Placenta_Crossing_Top_Rank": 0.789342, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C(CC(C(=O)O)NC(=O)CNC(=O)CN)CNC(=O)CP(=O)(O)O", "InChI_key": "AVSPMOKNUVRQBF-ZETCQYMHSA-N" } }, "CID:9543513": { "type": "Drug", "properties": { "id": "CID:9543513", "label": "apo-866", "lsm": "LSM-6279", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/9543513", "FDA_Category_D_L1000_Similarity": 2.2361, "FDA_Category_X_L1000_Similarity": 1.83508, "FDA_Category_D_and_X_L1000_Similarity": 2.48483, "Placenta_Crossing_L1000_Similarity": 2.74587, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(CCC1CCCCNC(=O)CCC2=CN=CC=C2)C(=O)C3=CC=CC=C3", "InChI_key": "UKQGSFUTDYQJST-UHFFFAOYSA-N" } }, "CID:29243": { "type": "Drug", "properties": { "id": "CID:29243", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID29243", "label": "tetrahydrouridine", "FDA_Category_D_L1000_Similarity": 1.09358, "FDA_Category_D_Structural_Similarity": -0.79407, "FDA_Category_D_Weighted_Contribution": -0.250978, "FDA_Category_D_Top_Rank": -0.0588574, "FDA_Category_X_L1000_Similarity": -0.0793905, "FDA_Category_X_Structural_Similarity": -0.727129, "FDA_Category_X_Weighted_Contribution": -0.767766, "FDA_Category_X_Top_Rank": -0.0881028, "FDA_Category_D_and_X_L1000_Similarity": 0.918574, "FDA_Category_D_and_X_Structural_Similarity": -1.02262, "FDA_Category_D_and_X_Weighted_Contribution": -0.552814, "FDA_Category_D_and_X_Top_Rank": -0.0732308, "Placenta_Crossing_L1000_Similarity": 0.780562, "Placenta_Crossing_Structural_Similarity": -1.00677, "Placenta_Crossing_Weighted_Contribution": -0.634903, "Placenta_Crossing_Top_Rank": -0.0768729, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O", "InChI_key": "UCKYOOZPSJFJIZ-XVKVHKPRSA-N" } }, "CID:327653": { "type": "Drug", "properties": { "id": "CID:327653", "label": "pifithrin-mu", "lsm": "LSM-4188", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/327653", "FDA_Category_D_L1000_Similarity": -1.06406, "FDA_Category_D_Structural_Similarity": -0.924484, "FDA_Category_D_Weighted_Contribution": -1.20595, "FDA_Category_D_Top_Rank": -0.0963806, "FDA_Category_X_L1000_Similarity": -0.183794, "FDA_Category_X_Structural_Similarity": -0.710157, "FDA_Category_X_Weighted_Contribution": -0.793384, "FDA_Category_X_Top_Rank": -0.0886992, "FDA_Category_D_and_X_L1000_Similarity": -0.973054, "FDA_Category_D_and_X_Structural_Similarity": -1.11697, "FDA_Category_D_and_X_Weighted_Contribution": -1.25065, "FDA_Category_D_and_X_Top_Rank": -0.0961871, "Placenta_Crossing_L1000_Similarity": -0.521394, "Placenta_Crossing_Structural_Similarity": -1.08069, "Placenta_Crossing_Weighted_Contribution": -1.10223, "Placenta_Crossing_Top_Rank": -0.0908501, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C(C=C1)C#CS(=O)(=O)N", "InChI_key": "ZZUZYEMRHCMVTB-UHFFFAOYSA-N" } }, "CID:60651": { "type": "Drug", "properties": { "id": "CID:60651", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60651", "label": "marbofloxacin", "FDA_Category_D_L1000_Similarity": 2.3998, "FDA_Category_D_Structural_Similarity": -0.753567, "FDA_Category_D_Weighted_Contribution": 0.529034, "FDA_Category_D_Top_Rank": 0.652443, "FDA_Category_X_L1000_Similarity": 1.13743, "FDA_Category_X_Structural_Similarity": -0.617037, "FDA_Category_X_Weighted_Contribution": -0.167261, "FDA_Category_X_Top_Rank": -0.0667806, "FDA_Category_D_and_X_L1000_Similarity": 2.41408, "FDA_Category_D_and_X_Structural_Similarity": -0.931067, "FDA_Category_D_and_X_Weighted_Contribution": 0.263211, "FDA_Category_D_and_X_Top_Rank": 0.387712, "Placenta_Crossing_L1000_Similarity": 2.08525, "Placenta_Crossing_Structural_Similarity": -0.7603, "Placenta_Crossing_Weighted_Contribution": 0.143284, "Placenta_Crossing_Top_Rank": 0.0698346, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F", "InChI_key": "BPFYOAJNDMUVBL-UHFFFAOYSA-N" } }, "CID:5566": { "type": "Drug", "properties": { "id": "CID:5566", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5566", "label": "trifluoperazine", "FDA_Category_D_L1000_Similarity": -1.34974, "FDA_Category_D_Structural_Similarity": -0.487931, "FDA_Category_D_Weighted_Contribution": -1.06238, "FDA_Category_D_Top_Rank": -0.0939629, "FDA_Category_X_L1000_Similarity": 3.45446, "FDA_Category_X_Structural_Similarity": -0.101665, "FDA_Category_X_Weighted_Contribution": 1.64475, "FDA_Category_X_Top_Rank": 1.59553, "FDA_Category_D_and_X_L1000_Similarity": -0.114441, "FDA_Category_D_and_X_Structural_Similarity": -0.442136, "FDA_Category_D_and_X_Weighted_Contribution": -0.551744, "FDA_Category_D_and_X_Top_Rank": -0.0930815, "Placenta_Crossing_L1000_Similarity": -1.11605, "Placenta_Crossing_Structural_Similarity": 1.44966, "Placenta_Crossing_Weighted_Contribution": 0.740019, "Placenta_Crossing_Top_Rank": -0.0234329, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F", "InChI_key": "ZEWQUBUPAILYHI-UHFFFAOYSA-N" } }, "CID:165404": { "type": "Drug", "properties": { "id": "CID:165404", "label": "L-ergothioneine", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/165404", "FDA_Category_D_L1000_Similarity": 0.79837, "FDA_Category_D_Structural_Similarity": 3.38586, "FDA_Category_D_Weighted_Contribution": 3.50156, "FDA_Category_D_Top_Rank": 0.328625, "FDA_Category_X_L1000_Similarity": -1.5953, "FDA_Category_X_Structural_Similarity": -0.697691, "FDA_Category_X_Weighted_Contribution": -1.2257, "FDA_Category_X_Top_Rank": -0.0919096, "FDA_Category_D_and_X_L1000_Similarity": 0.203742, "FDA_Category_D_and_X_Structural_Similarity": 2.31093, "FDA_Category_D_and_X_Weighted_Contribution": 2.33079, "FDA_Category_D_and_X_Top_Rank": 0.0769517, "Placenta_Crossing_L1000_Similarity": -0.265991, "Placenta_Crossing_Structural_Similarity": -0.504269, "Placenta_Crossing_Weighted_Contribution": -0.655725, "Placenta_Crossing_Top_Rank": -0.0897475, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:11243969": { "type": "Drug", "properties": { "id": "CID:11243969", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11243969", "label": "saxagliptin", "FDA_Category_D_L1000_Similarity": 0.657331, "FDA_Category_D_Structural_Similarity": 0.158994, "FDA_Category_D_Weighted_Contribution": 0.417146, "FDA_Category_D_Top_Rank": -0.0809859, "FDA_Category_X_L1000_Similarity": 1.80333, "FDA_Category_X_Structural_Similarity": -0.247717, "FDA_Category_X_Weighted_Contribution": 0.548069, "FDA_Category_X_Top_Rank": -0.018849, "FDA_Category_D_and_X_L1000_Similarity": 1.11427, "FDA_Category_D_and_X_Structural_Similarity": -0.00747125, "FDA_Category_D_and_X_Weighted_Contribution": 0.458237, "FDA_Category_D_and_X_Top_Rank": -0.0615258, "Placenta_Crossing_L1000_Similarity": 2.97985, "Placenta_Crossing_Structural_Similarity": -0.541477, "Placenta_Crossing_Weighted_Contribution": 0.832273, "Placenta_Crossing_Top_Rank": 0.963394, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N", "InChI_key": "QGJUIPDUBHWZPV-SGTAVMJGSA-N" } }, "CID:3475": { "type": "Drug", "properties": { "id": "CID:3475", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3475", "label": "gliclazide", "FDA_Category_D_L1000_Similarity": 0.756747, "FDA_Category_D_Structural_Similarity": -0.327961, "FDA_Category_D_Weighted_Contribution": -0.00647332, "FDA_Category_D_Top_Rank": -0.0775873, "FDA_Category_X_L1000_Similarity": -1.24336, "FDA_Category_X_Structural_Similarity": -0.670855, "FDA_Category_X_Weighted_Contribution": -1.11297, "FDA_Category_X_Top_Rank": -0.0915939, "FDA_Category_D_and_X_L1000_Similarity": 0.274757, "FDA_Category_D_and_X_Structural_Similarity": -0.622297, "FDA_Category_D_and_X_Weighted_Contribution": -0.522687, "FDA_Category_D_and_X_Top_Rank": -0.089323, "Placenta_Crossing_L1000_Similarity": 0.355586, "Placenta_Crossing_Structural_Similarity": -0.726819, "Placenta_Crossing_Weighted_Contribution": -0.586926, "Placenta_Crossing_Top_Rank": -0.0850023, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2", "InChI_key": "BOVGTQGAOIONJV-UHFFFAOYSA-N" } }, "CID:5702007": { "type": "Drug", "properties": { "id": "CID:5702007", "label": "amikacin", "lsm": "LSM-5935", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5702007", "FDA_Category_D_L1000_Similarity": 0.764012, "FDA_Category_D_Structural_Similarity": -0.222876, "FDA_Category_D_Weighted_Contribution": 0.0979116, "FDA_Category_D_Top_Rank": -0.0773, "FDA_Category_X_L1000_Similarity": -0.267375, "FDA_Category_X_Structural_Similarity": -0.0577022, "FDA_Category_X_Weighted_Contribution": -0.298898, "FDA_Category_X_Top_Rank": -0.0811157, "FDA_Category_D_and_X_L1000_Similarity": 0.577389, "FDA_Category_D_and_X_Structural_Similarity": -0.208035, "FDA_Category_D_and_X_Weighted_Contribution": -0.0286283, "FDA_Category_D_and_X_Top_Rank": -0.0840146, "Placenta_Crossing_L1000_Similarity": 0.578979, "Placenta_Crossing_Structural_Similarity": 1.75134, "Placenta_Crossing_Weighted_Contribution": 1.97786, "Placenta_Crossing_Top_Rank": 0.00520691, "FDA_Category_D": 1, "FDA_Category_X": 0, "FDA_Category_D_and_X": 1, "Placenta_Crossing": 1 } }, "CID:10474339": { "type": "Drug", "properties": { "id": "CID:10474339", "label": "bms-191011", "lsm": "LSM-4148", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/10474339", "FDA_Category_D_L1000_Similarity": 2.81287, "FDA_Category_D_Structural_Similarity": 4.4263, "FDA_Category_D_Weighted_Contribution": 4.25634, "FDA_Category_D_Top_Rank": 1.87699, "FDA_Category_X_L1000_Similarity": 3.1966, "FDA_Category_X_Structural_Similarity": 0.859367, "FDA_Category_X_Weighted_Contribution": 2.53655, "FDA_Category_X_Top_Rank": 0.905592, "FDA_Category_D_and_X_L1000_Similarity": 3.39549, "FDA_Category_D_and_X_Structural_Similarity": 3.97692, "FDA_Category_D_and_X_Weighted_Contribution": 4.1186, "FDA_Category_D_and_X_Top_Rank": 8.09957, "Placenta_Crossing_L1000_Similarity": 3.29801, "Placenta_Crossing_Structural_Similarity": 2.73341, "Placenta_Crossing_Weighted_Contribution": 3.71878, "Placenta_Crossing_Top_Rank": 2.25592, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)O)C(F)(F)F", "InChI_key": "QKOWACXSXTXRKA-UHFFFAOYSA-N" } }, "CID:5092": { "type": "Drug", "properties": { "id": "CID:5092", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5092", "label": "rolipram", "FDA_Category_D_L1000_Similarity": 1.89388, "FDA_Category_D_Structural_Similarity": -0.88035, "FDA_Category_D_Weighted_Contribution": 0.101933, "FDA_Category_D_Top_Rank": 0.117729, "FDA_Category_X_L1000_Similarity": 1.67184, "FDA_Category_X_Structural_Similarity": -0.462916, "FDA_Category_X_Weighted_Contribution": 0.24923, "FDA_Category_X_Top_Rank": -0.032983, "FDA_Category_D_and_X_L1000_Similarity": 2.14026, "FDA_Category_D_and_X_Structural_Similarity": -0.948533, "FDA_Category_D_and_X_Weighted_Contribution": 0.0980073, "FDA_Category_D_and_X_Top_Rank": 0.170378, "Placenta_Crossing_L1000_Similarity": 3.51871, "Placenta_Crossing_Structural_Similarity": -0.928281, "Placenta_Crossing_Weighted_Contribution": 0.711767, "Placenta_Crossing_Top_Rank": 4.06688, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3", "InChI_key": "HJORMJIFDVBMOB-UHFFFAOYSA-N" } }, "CID:2018": { "type": "Drug", "properties": { "id": "CID:2018", "label": "actarit", "lsm": "LSM-5475", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/2018", "FDA_Category_D_L1000_Similarity": 0.544472, "FDA_Category_D_Structural_Similarity": 1.71869, "FDA_Category_D_Weighted_Contribution": 2.01989, "FDA_Category_D_Top_Rank": 0.00880533, "FDA_Category_X_L1000_Similarity": -0.738522, "FDA_Category_X_Structural_Similarity": -0.700194, "FDA_Category_X_Weighted_Contribution": -0.976059, "FDA_Category_X_Top_Rank": -0.0907298, "FDA_Category_D_and_X_L1000_Similarity": 0.245069, "FDA_Category_D_and_X_Structural_Similarity": 0.986328, "FDA_Category_D_and_X_Weighted_Contribution": 0.988317, "FDA_Category_D_and_X_Top_Rank": -0.0539256, "Placenta_Crossing_L1000_Similarity": 0.0276935, "Placenta_Crossing_Structural_Similarity": 1.63145, "Placenta_Crossing_Weighted_Contribution": 1.55947, "Placenta_Crossing_Top_Rank": -0.0101375, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CC(=O)NC1=CC=C(C=C1)CC(=O)O", "InChI_key": "MROJXXOCABQVEF-UHFFFAOYSA-N" } }, "CID:7108": { "type": "Drug", "properties": { "id": "CID:7108", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7108", "label": "phenothiazine", "FDA_Category_D_L1000_Similarity": 3.16376, "FDA_Category_D_Structural_Similarity": -0.210765, "FDA_Category_D_Weighted_Contribution": 1.60099, "FDA_Category_D_Top_Rank": 7.07482, "FDA_Category_X_L1000_Similarity": 1.98731, "FDA_Category_X_Structural_Similarity": 0.200775, "FDA_Category_X_Weighted_Contribution": 1.15325, "FDA_Category_X_Top_Rank": 0.0085061, "FDA_Category_D_and_X_L1000_Similarity": 3.33072, "FDA_Category_D_and_X_Structural_Similarity": -0.0589497, "FDA_Category_D_and_X_Weighted_Contribution": 1.71659, "FDA_Category_D_and_X_Top_Rank": 7.07425, "Placenta_Crossing_L1000_Similarity": 3.14024, "Placenta_Crossing_Structural_Similarity": -0.591282, "Placenta_Crossing_Weighted_Contribution": 0.866, "Placenta_Crossing_Top_Rank": 1.64837, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CC=C2C(=C1)NC3=CC=CC=C3S2", "InChI_key": "WJFKNYWRSNBZNX-UHFFFAOYSA-N" } }, "CID:73707380": { "type": "Drug", "properties": { "id": "CID:73707380", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73707380", "label": "fumonisin-b1", "FDA_Category_D_L1000_Similarity": 3.20728, "FDA_Category_D_Structural_Similarity": 0.830213, "FDA_Category_D_Weighted_Contribution": 2.66631, "FDA_Category_D_Top_Rank": 9.46747, "FDA_Category_X_L1000_Similarity": 1.54414, "FDA_Category_X_Structural_Similarity": 2.85844, "FDA_Category_X_Weighted_Contribution": 3.51251, "FDA_Category_X_Top_Rank": 0.178528, "FDA_Category_D_and_X_L1000_Similarity": 3.23366, "FDA_Category_D_and_X_Structural_Similarity": 2.20136, "FDA_Category_D_and_X_Weighted_Contribution": 3.49589, "FDA_Category_D_and_X_Top_Rank": 4.31375, "Placenta_Crossing_L1000_Similarity": 3.06677, "Placenta_Crossing_Structural_Similarity": -0.748363, "Placenta_Crossing_Weighted_Contribution": 0.659749, "Placenta_Crossing_Top_Rank": 1.19091, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O", "InChI_key": "UVBUBMSSQKOIBE-YPCSWJJOSA-N" } }, "CID:100016": { "type": "Drug", "properties": { "id": "CID:100016", "label": "zebularine", "lsm": "LSM-6181", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/100016", "FDA_Category_D_L1000_Similarity": 3.38525, "FDA_Category_D_Structural_Similarity": -0.292377, "FDA_Category_D_Weighted_Contribution": 1.65286, "FDA_Category_D_Top_Rank": 28.6087, "FDA_Category_X_L1000_Similarity": 0.833094, "FDA_Category_X_Structural_Similarity": -0.681278, "FDA_Category_X_Weighted_Contribution": -0.363542, "FDA_Category_X_Top_Rank": -0.0761008, "FDA_Category_D_and_X_L1000_Similarity": 3.17112, "FDA_Category_D_and_X_Structural_Similarity": -0.599678, "FDA_Category_D_and_X_Weighted_Contribution": 1.04627, "FDA_Category_D_and_X_Top_Rank": 3.08686, "Placenta_Crossing_L1000_Similarity": 3.27059, "Placenta_Crossing_Structural_Similarity": -0.84404, "Placenta_Crossing_Weighted_Contribution": 0.667871, "Placenta_Crossing_Top_Rank": 2.15783, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O", "InChI_key": "RPQZTTQVRYEKCR-WCTZXXKLSA-N" } }, "CID:5281621": { "type": "Drug", "properties": { "id": "CID:5281621", "uri": "http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5281621", "label": "Gossypin", "FDA_Category_D_L1000_Similarity": 2.70324, "FDA_Category_X_L1000_Similarity": 2.00452, "FDA_Category_D_and_X_L1000_Similarity": 2.93897, "Placenta_Crossing_L1000_Similarity": 2.83881, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:68508601": { "type": "Drug", "properties": { "id": "CID:68508601", "label": "pt-630", "lsm": "LSM-6193", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/68508601", "FDA_Category_D_L1000_Similarity": 1.89023, "FDA_Category_D_Structural_Similarity": -0.855573, "FDA_Category_D_Weighted_Contribution": 0.123903, "FDA_Category_D_Top_Rank": 0.115209, "FDA_Category_X_L1000_Similarity": 2.00866, "FDA_Category_X_Structural_Similarity": -0.345865, "FDA_Category_X_Weighted_Contribution": 0.553071, "FDA_Category_X_Top_Rank": 0.0126344, "FDA_Category_D_and_X_L1000_Similarity": 2.2394, "FDA_Category_D_and_X_Structural_Similarity": -0.865707, "FDA_Category_D_and_X_Weighted_Contribution": 0.231304, "FDA_Category_D_and_X_Top_Rank": 0.24285, "Placenta_Crossing_L1000_Similarity": 3.31391, "Placenta_Crossing_Structural_Similarity": -0.439413, "Placenta_Crossing_Weighted_Contribution": 1.12431, "Placenta_Crossing_Top_Rank": 2.48014, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "B(C1CCCN1C(=O)C(CCC(=O)O)N)(O)O", "InChI_key": "DMTPQYQQHYOTQM-MLWJPKLSSA-N" } }, "CID:5280647": { "type": "Drug", "properties": { "id": "CID:5280647", "label": "Gossypetin", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/5280647", "FDA_Category_D_L1000_Similarity": 3.12362, "FDA_Category_D_Structural_Similarity": 0.0605297, "FDA_Category_D_Weighted_Contribution": 1.8657, "FDA_Category_D_Top_Rank": 5.63923, "FDA_Category_X_L1000_Similarity": 2.32067, "FDA_Category_X_Structural_Similarity": -0.737415, "FDA_Category_X_Weighted_Contribution": 0.301499, "FDA_Category_X_Top_Rank": 0.0826783, "FDA_Category_D_and_X_L1000_Similarity": 3.39736, "FDA_Category_D_and_X_Structural_Similarity": -0.349863, "FDA_Category_D_and_X_Weighted_Contribution": 1.44914, "FDA_Category_D_and_X_Top_Rank": 9.46668, "Placenta_Crossing_L1000_Similarity": 3.73166, "Placenta_Crossing_Structural_Similarity": 0.792933, "Placenta_Crossing_Weighted_Contribution": 2.59144, "Placenta_Crossing_Top_Rank": 7.63706, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0 } }, "CID:395754": { "type": "Drug", "properties": { "id": "CID:395754", "label": "fti-276", "lsm": "LSM-4727", "uri": "https://pubchem.ncbi.nlm.nih.gov/compound/395754", "FDA_Category_D_L1000_Similarity": 2.81518, "FDA_Category_D_Structural_Similarity": 0.72542, "FDA_Category_D_Weighted_Contribution": 2.35637, "FDA_Category_D_Top_Rank": 1.94771, "FDA_Category_X_L1000_Similarity": 2.56432, "FDA_Category_X_Structural_Similarity": 0.997663, "FDA_Category_X_Weighted_Contribution": 2.35627, "FDA_Category_X_Top_Rank": 0.19656, "FDA_Category_D_and_X_L1000_Similarity": 3.20546, "FDA_Category_D_and_X_Structural_Similarity": 1.11411, "FDA_Category_D_and_X_Weighted_Contribution": 2.758, "FDA_Category_D_and_X_Top_Rank": 3.27451, "Placenta_Crossing_L1000_Similarity": 4.05425, "Placenta_Crossing_Structural_Similarity": -0.0792105, "Placenta_Crossing_Weighted_Contribution": 1.90861, "Placenta_Crossing_Top_Rank": 54.0494, "FDA_Category_D": 0, "FDA_Category_X": 0, "FDA_Category_D_and_X": 0, "Placenta_Crossing": 0, "SMILES": "CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2", "InChI_key": "ZIXDDEATQSBHHL-BEFAXECRSA-N" } } }, "edges": [ { "source": "CID:10109823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11338033", "properties": { "id": "AS-601245-AT-7519 similarity", "source_label": "AS-601245", "target_label": "AT-7519", "cosine_similarity": 0.5566698312759399 } }, { "source": "CID:2062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "tyrphostin-DAC-004 similarity", "source_label": "tyrphostin", "target_label": "DAC-004", "cosine_similarity": 0.2548510432243347 } }, { "source": "CID:5517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "tosufloxacin-prostaglandin-a1 similarity", "source_label": "tosufloxacin", "target_label": "prostaglandin-a1", "cosine_similarity": 0.2511171102523803 } }, { "source": "CID:4658599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "VU-0447134-2-serotonin similarity", "source_label": "VU-0447134-2", "target_label": "serotonin", "cosine_similarity": 0.2513327300548553 } }, { "source": "CID:44623840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602407", "properties": { "id": "KU-C104227-KU-C104230 similarity", "source_label": "KU-C104227", "target_label": "KU-C104230", "cosine_similarity": 0.3075632154941559 } }, { "source": "CID:10748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "herniarin-SA-423131 similarity", "source_label": "herniarin", "target_label": "SA-423131", "cosine_similarity": 0.3486935198307037 } }, { "source": "CID:9847023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3735", "properties": { "id": "prednisolone-hemisuccinate-iopanoic-acid similarity", "source_label": "prednisolone-hemisuccinate", "target_label": "iopanoic-acid", "cosine_similarity": 0.3697761595249176 } }, { "source": "CID:54682876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "tasquinimod-berberine similarity", "source_label": "tasquinimod", "target_label": "berberine", "cosine_similarity": 0.4751890003681183 } }, { "source": "CID:60186945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669111", "properties": { "id": "SA-1938862-SA-1921614 similarity", "source_label": "SA-1938862", "target_label": "SA-1921614", "cosine_similarity": 0.2416785806417465 } }, { "source": "CID:24875320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "ALW-II-49-7-ingenol similarity", "source_label": "ALW-II-49-7", "target_label": "ingenol", "cosine_similarity": 0.4385628700256347 } }, { "source": "CID:54660156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1459854-SA-101686 similarity", "source_label": "SA-1459854", "target_label": "SA-101686", "cosine_similarity": 0.2749576866626739 } }, { "source": "CID:132059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "L-694247-SJ-172550 similarity", "source_label": "L-694247", "target_label": "SJ-172550", "cosine_similarity": 0.2919287979602813 } }, { "source": "CID:16758175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "acivicin-GDC-0199 similarity", "source_label": "acivicin", "target_label": "GDC-0199", "cosine_similarity": 0.3528259396553039 } }, { "source": "CID:44607965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604858", "properties": { "id": "AMZ-30-SB-218795 similarity", "source_label": "AMZ-30", "target_label": "SB-218795", "cosine_similarity": 0.180592268705368 } }, { "source": "CID:5281670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "morin-gossypin similarity", "source_label": "morin", "target_label": "gossypin", "cosine_similarity": 0.6162570118904114 } }, { "source": "CID:821257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "RAN-14A-SA-423131 similarity", "source_label": "RAN-14A", "target_label": "SA-423131", "cosine_similarity": 0.3504397273063659 } }, { "source": "CID:3351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2075", "properties": { "id": "fipexide-aklomide similarity", "source_label": "fipexide", "target_label": "aklomide", "cosine_similarity": 0.2620037496089935 } }, { "source": "CID:73707463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5893", "properties": { "id": "lymecycline-nadide similarity", "source_label": "lymecycline", "target_label": "nadide", "cosine_similarity": 0.2065865844488144 } }, { "source": "CID:5526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4567", "properties": { "id": "tranexamic-acid-buphenine similarity", "source_label": "tranexamic-acid", "target_label": "buphenine", "cosine_similarity": 0.1847276985645294 } }, { "source": "CID:44607586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "KU-C104135-BMS-345541 similarity", "source_label": "KU-C104135", "target_label": "BMS-345541", "cosine_similarity": 0.3725568950176239 } }, { "source": "CID:328236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691868", "properties": { "id": "heraclenol-ST-4029010 similarity", "source_label": "heraclenol", "target_label": "ST-4029010", "cosine_similarity": 0.3328505158424377 } }, { "source": "CID:25134326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "ASP-3026-taselisib similarity", "source_label": "ASP-3026", "target_label": "taselisib", "cosine_similarity": 0.3576018214225769 } }, { "source": "CID:44492693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "SA-84869-BMS-754807 similarity", "source_label": "SA-84869", "target_label": "BMS-754807", "cosine_similarity": 0.2518147528171539 } }, { "source": "CID:3034756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "formoterol-fluvoxamine similarity", "source_label": "formoterol", "target_label": "fluvoxamine", "cosine_similarity": 0.4982949197292328 } }, { "source": "CID:11640390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "linsitinib-PI-103 similarity", "source_label": "linsitinib", "target_label": "PI-103", "cosine_similarity": 0.5857977867126465 } }, { "source": "CID:11256587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "AMD-11070-losmapimod similarity", "source_label": "AMD-11070", "target_label": "losmapimod", "cosine_similarity": 0.2999031841754913 } }, { "source": "CID:5281621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "gossypin-zebularine similarity", "source_label": "gossypin", "target_label": "zebularine", "cosine_similarity": 0.4821131825447082 } }, { "source": "CID:12478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "trimetozine-coumarin similarity", "source_label": "trimetozine", "target_label": "coumarin", "cosine_similarity": 0.2442580908536911 } }, { "source": "CID:60192484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497655", "properties": { "id": "SA-1925621-SA-102676 similarity", "source_label": "SA-1925621", "target_label": "SA-102676", "cosine_similarity": 0.3064418733119964 } }, { "source": "CID:54669462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659991", "properties": { "id": "SA-1922796-SA-1456576 similarity", "source_label": "SA-1922796", "target_label": "SA-1456576", "cosine_similarity": 0.296045571565628 } }, { "source": "CID:11857239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24996872", "properties": { "id": "narlaprevir-GSK-1292263 similarity", "source_label": "narlaprevir", "target_label": "GSK-1292263", "cosine_similarity": 0.2818394899368286 } }, { "source": "CID:65373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "secoisolariciresinol-JZL-184 similarity", "source_label": "secoisolariciresinol", "target_label": "JZL-184", "cosine_similarity": 0.3047378063201904 } }, { "source": "CID:10341154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "VX-702-SB-203580 similarity", "source_label": "VX-702", "target_label": "SB-203580", "cosine_similarity": 0.2716296017169952 } }, { "source": "CID:9458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707357", "properties": { "id": "triflusal-mebhydrolin similarity", "source_label": "triflusal", "target_label": "mebhydrolin", "cosine_similarity": 0.2128755748271942 } }, { "source": "CID:5166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "SB-239063-VX-745 similarity", "source_label": "SB-239063", "target_label": "VX-745", "cosine_similarity": 0.5778414011001587 } }, { "source": "CID:151118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "CPI-1189-gemfibrozil similarity", "source_label": "CPI-1189", "target_label": "gemfibrozil", "cosine_similarity": 0.4673888087272644 } }, { "source": "CID:1317466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "SJ-172550-APO-866 similarity", "source_label": "SJ-172550", "target_label": "APO-866", "cosine_similarity": 0.4470425248146057 } }, { "source": "CID:11494970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "trap-101-remacemide similarity", "source_label": "trap-101", "target_label": "remacemide", "cosine_similarity": 0.2556690871715545 } }, { "source": "CID:53315878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "UNC-0642-rimcazole similarity", "source_label": "UNC-0642", "target_label": "rimcazole", "cosine_similarity": 0.3354787826538086 } }, { "source": "CID:54657708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657714", "properties": { "id": "SA-1457336-SA-1457305 similarity", "source_label": "SA-1457336", "target_label": "SA-1457305", "cosine_similarity": 0.3519546389579773 } }, { "source": "CID:60769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "MDL-73005EF-acrivastine similarity", "source_label": "MDL-73005EF", "target_label": "acrivastine", "cosine_similarity": 0.542204737663269 } }, { "source": "CID:54657695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "SA-1973497-PD-198306 similarity", "source_label": "SA-1973497", "target_label": "PD-198306", "cosine_similarity": 0.4264278411865234 } }, { "source": "CID:44602407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623840", "properties": { "id": "KU-C104230-KU-C104227 similarity", "source_label": "KU-C104230", "target_label": "KU-C104227", "cosine_similarity": 0.3075632154941559 } }, { "source": "CID:5757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "estradiol-BMS-191011 similarity", "source_label": "estradiol", "target_label": "BMS-191011", "cosine_similarity": 0.3832070827484131 } }, { "source": "CID:53340666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "ACY-1215-SB-939 similarity", "source_label": "ACY-1215", "target_label": "SB-939", "cosine_similarity": 0.7151844501495361 } }, { "source": "CID:3229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53025", "properties": { "id": "enoxacin-cefotetan similarity", "source_label": "enoxacin", "target_label": "cefotetan", "cosine_similarity": 0.275979608297348 } }, { "source": "CID:9888030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "NNC-05-2090-T-98475 similarity", "source_label": "NNC-05-2090", "target_label": "T-98475", "cosine_similarity": 0.4045858681201935 } }, { "source": "CID:151171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "conivaptan-estramustine-phosphate similarity", "source_label": "conivaptan", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4929162859916687 } }, { "source": "CID:54666825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192484", "properties": { "id": "SA-1922111-SA-1925621 similarity", "source_label": "SA-1922111", "target_label": "SA-1925621", "cosine_similarity": 0.2464089095592498 } }, { "source": "CID:7741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5601", "properties": { "id": "betazole-thenoyltrifluoroacetone similarity", "source_label": "betazole", "target_label": "thenoyltrifluoroacetone", "cosine_similarity": 0.2411583065986633 } }, { "source": "CID:9803433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "MK-0752-tazobactam similarity", "source_label": "MK-0752", "target_label": "tazobactam", "cosine_similarity": 0.350360095500946 } }, { "source": "CID:60189692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-1938740-FTI-276 similarity", "source_label": "SA-1938740", "target_label": "FTI-276", "cosine_similarity": 0.312873363494873 } }, { "source": "CID:5287620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "brefeldin-a-hexachlorophene similarity", "source_label": "brefeldin-a", "target_label": "hexachlorophene", "cosine_similarity": 0.6332237124443054 } }, { "source": "CID:176167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "enzastaurin-SB-216763 similarity", "source_label": "enzastaurin", "target_label": "SB-216763", "cosine_similarity": 0.5449669361114502 } }, { "source": "CID:442397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4707", "properties": { "id": "fisetinidol-PD-158780 similarity", "source_label": "fisetinidol", "target_label": "PD-158780", "cosine_similarity": 0.1989904940128326 } }, { "source": "CID:6421522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4375", "properties": { "id": "proxyfan-FG-7142 similarity", "source_label": "proxyfan", "target_label": "FG-7142", "cosine_similarity": 0.2065771073102951 } }, { "source": "CID:9830191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "tipranavir-2-iminobiotin similarity", "source_label": "tipranavir", "target_label": "2-iminobiotin", "cosine_similarity": 0.3985649049282074 } }, { "source": "CID:11485656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "linifanib-BMS-345541 similarity", "source_label": "linifanib", "target_label": "BMS-345541", "cosine_similarity": 0.6637551784515381 } }, { "source": "CID:44497527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-96805-SA-1938867 similarity", "source_label": "SA-96805", "target_label": "SA-1938867", "cosine_similarity": 0.4709323942661285 } }, { "source": "CID:73707357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3941250", "properties": { "id": "mebhydrolin-nitrocaramiphen similarity", "source_label": "mebhydrolin", "target_label": "nitrocaramiphen", "cosine_similarity": 0.2394378185272216 } }, { "source": "CID:11213558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "fostamatinib-BMS-536924 similarity", "source_label": "fostamatinib", "target_label": "BMS-536924", "cosine_similarity": 0.5122750997543335 } }, { "source": "CID:44490413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "SA-432998-bucladesine similarity", "source_label": "SA-432998", "target_label": "bucladesine", "cosine_similarity": 0.3289679288864136 } }, { "source": "CID:1176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2895", "properties": { "id": "urea-cyclobenzaprine similarity", "source_label": "urea", "target_label": "cyclobenzaprine", "cosine_similarity": 0.42145437002182 } }, { "source": "CID:6708716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "catechin-PT-630 similarity", "source_label": "catechin", "target_label": "PT-630", "cosine_similarity": 0.3257850706577301 } }, { "source": "CID:656731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "chromanol-SA-441487 similarity", "source_label": "chromanol", "target_label": "SA-441487", "cosine_similarity": 0.3113049864768982 } }, { "source": "CID:23649325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51371328", "properties": { "id": "AZD-1283-estramustine similarity", "source_label": "AZD-1283", "target_label": "estramustine", "cosine_similarity": 0.2434034049510955 } }, { "source": "CID:5904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441029", "properties": { "id": "benzylpenicillin-fosfomycin similarity", "source_label": "benzylpenicillin", "target_label": "fosfomycin", "cosine_similarity": 0.3255070447921753 } }, { "source": "CID:5311346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6738", "properties": { "id": "PD-128907-hydroxytoluic-acid similarity", "source_label": "PD-128907", "target_label": "hydroxytoluic-acid", "cosine_similarity": 0.5225750803947449 } }, { "source": "CID:5587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "tripelennamine-dipyrocetyl similarity", "source_label": "tripelennamine", "target_label": "dipyrocetyl", "cosine_similarity": 0.2504445910453796 } }, { "source": "CID:73438898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "CHIR-99021-SB-216763 similarity", "source_label": "CHIR-99021", "target_label": "SB-216763", "cosine_similarity": 0.7723913192749023 } }, { "source": "CID:44968231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56599306", "properties": { "id": "ML-167-pilaralisib similarity", "source_label": "ML-167", "target_label": "pilaralisib", "cosine_similarity": 0.224813312292099 } }, { "source": "CID:9829523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57390074", "properties": { "id": "midostaurin-AP-26113 similarity", "source_label": "midostaurin", "target_label": "AP-26113", "cosine_similarity": 0.4528584778308868 } }, { "source": "CID:446155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "fluvastatin-tetrandrine similarity", "source_label": "fluvastatin", "target_label": "tetrandrine", "cosine_similarity": 0.5910897254943848 } }, { "source": "CID:54657678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484239", "properties": { "id": "SA-1456443-SA-90153 similarity", "source_label": "SA-1456443", "target_label": "SA-90153", "cosine_similarity": 0.2878458499908447 } }, { "source": "CID:9934347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "NVP-TAE226-taselisib similarity", "source_label": "NVP-TAE226", "target_label": "taselisib", "cosine_similarity": 0.5801084637641907 } }, { "source": "CID:19103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "NSC-3852-EMF-bca1-16 similarity", "source_label": "NSC-3852", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7706286907196045 } }, { "source": "CID:44511091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549000", "properties": { "id": "formestane-levocetirizine similarity", "source_label": "formestane", "target_label": "levocetirizine", "cosine_similarity": 0.4852494597434997 } }, { "source": "CID:3516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "guaifenesin-quinethazone similarity", "source_label": "guaifenesin", "target_label": "quinethazone", "cosine_similarity": 0.2483280003070831 } }, { "source": "CID:336423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "TIC-10-lorcaserin similarity", "source_label": "TIC-10", "target_label": "lorcaserin", "cosine_similarity": 0.3996981382369995 } }, { "source": "CID:5281743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "retrorsine-cefoxitin similarity", "source_label": "retrorsine", "target_label": "cefoxitin", "cosine_similarity": 0.2536436915397644 } }, { "source": "CID:5482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59174488", "properties": { "id": "tioconazole-AVL-292 similarity", "source_label": "tioconazole", "target_label": "AVL-292", "cosine_similarity": 0.3297309577465057 } }, { "source": "CID:24069689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3883", "properties": { "id": "mocimycin-lansoprazole similarity", "source_label": "mocimycin", "target_label": "lansoprazole", "cosine_similarity": 0.2305732518434524 } }, { "source": "CID:166558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "avasimibe-oxiconazole similarity", "source_label": "avasimibe", "target_label": "oxiconazole", "cosine_similarity": 0.3809358179569244 } }, { "source": "CID:5287969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "alvocidib-CGP-60474 similarity", "source_label": "alvocidib", "target_label": "CGP-60474", "cosine_similarity": 0.9026177525520324 } }, { "source": "CID:219104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17748", "properties": { "id": "PX-12-quinoclamine similarity", "source_label": "PX-12", "target_label": "quinoclamine", "cosine_similarity": 0.5065420269966125 } }, { "source": "CID:11654378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67135703", "properties": { "id": "KIN001-269-KIN001-260 similarity", "source_label": "KIN001-269", "target_label": "KIN001-260", "cosine_similarity": 0.5236577987670898 } }, { "source": "CID:6473883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "dirithromycin-prostaglandin-a1 similarity", "source_label": "dirithromycin", "target_label": "prostaglandin-a1", "cosine_similarity": 0.2172625660896301 } }, { "source": "CID:11612883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67135703", "properties": { "id": "PF-573228-KIN001-260 similarity", "source_label": "PF-573228", "target_label": "KIN001-260", "cosine_similarity": 0.4034943878650665 } }, { "source": "CID:5312137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56971", "properties": { "id": "SU-6656-ipsapirone similarity", "source_label": "SU-6656", "target_label": "ipsapirone", "cosine_similarity": 0.2207842916250229 } }, { "source": "CID:3519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "guanfacine-PT-630 similarity", "source_label": "guanfacine", "target_label": "PT-630", "cosine_similarity": 0.2854651212692261 } }, { "source": "CID:4201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "minoxidil-PF-04217903 similarity", "source_label": "minoxidil", "target_label": "PF-04217903", "cosine_similarity": 0.3867189884185791 } }, { "source": "CID:10635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "dihydrotestosterone-sacubitril similarity", "source_label": "dihydrotestosterone", "target_label": "sacubitril", "cosine_similarity": 0.2248015254735946 } }, { "source": "CID:25181195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "PI-828-GDC-0980 similarity", "source_label": "PI-828", "target_label": "GDC-0980", "cosine_similarity": 0.6164739727973938 } }, { "source": "CID:3828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3182", "properties": { "id": "khellin-dyphylline similarity", "source_label": "khellin", "target_label": "dyphylline", "cosine_similarity": 0.1620921045541763 } }, { "source": "CID:656732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11716890", "properties": { "id": "XE-991-YM-298198 similarity", "source_label": "XE-991", "target_label": "YM-298198", "cosine_similarity": 0.2722052931785583 } }, { "source": "CID:24747180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127404", "properties": { "id": "JAS07-010-isamoltane similarity", "source_label": "JAS07-010", "target_label": "isamoltane", "cosine_similarity": 0.2552174031734466 } }, { "source": "CID:4116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "methoxyflurane-ICI-162846 similarity", "source_label": "methoxyflurane", "target_label": "ICI-162846", "cosine_similarity": 0.3100055754184723 } }, { "source": "CID:3467177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443944", "properties": { "id": "DH-97-metrizamide similarity", "source_label": "DH-97", "target_label": "metrizamide", "cosine_similarity": 0.1677938997745514 } }, { "source": "CID:5035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "raloxifene-trifluoperazine similarity", "source_label": "raloxifene", "target_label": "trifluoperazine", "cosine_similarity": 0.6289781928062439 } }, { "source": "CID:969472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15443", "properties": { "id": "eszopiclone-azaperone similarity", "source_label": "eszopiclone", "target_label": "azaperone", "cosine_similarity": 0.2012898921966552 } }, { "source": "CID:23637804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3563638", "properties": { "id": "ceforanide-L-732138 similarity", "source_label": "ceforanide", "target_label": "L-732138", "cosine_similarity": 0.2403051853179931 } }, { "source": "CID:5494449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11712649", "properties": { "id": "tozasertib-MLN-8054 similarity", "source_label": "tozasertib", "target_label": "MLN-8054", "cosine_similarity": 0.4648889899253845 } }, { "source": "CID:637563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "anethole-monocrotaline similarity", "source_label": "anethole", "target_label": "monocrotaline", "cosine_similarity": 0.3133809268474579 } }, { "source": "CID:265237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "withaferin-a-BNTX similarity", "source_label": "withaferin-a", "target_label": "BNTX", "cosine_similarity": 0.6949790120124817 } }, { "source": "CID:39042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "bezafibrate-dorzolamide similarity", "source_label": "bezafibrate", "target_label": "dorzolamide", "cosine_similarity": 0.5177847743034363 } }, { "source": "CID:1622530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "coumaric-acid-diazoxide similarity", "source_label": "coumaric-acid", "target_label": "diazoxide", "cosine_similarity": 0.2727930545806885 } }, { "source": "CID:6760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "skimmianine-DL-TBOA similarity", "source_label": "skimmianine", "target_label": "DL-TBOA", "cosine_similarity": 0.270742803812027 } }, { "source": "CID:10206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "cepharanthine-FIT similarity", "source_label": "cepharanthine", "target_label": "FIT", "cosine_similarity": 0.4058496356010437 } }, { "source": "CID:10077130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "voapaxar-BIBU-1361 similarity", "source_label": "voapaxar", "target_label": "BIBU-1361", "cosine_similarity": 0.3179035782814026 } }, { "source": "CID:4217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4976", "properties": { "id": "ML-9-protriptyline similarity", "source_label": "ML-9", "target_label": "protriptyline", "cosine_similarity": 0.3015910387039184 } }, { "source": "CID:132862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53001", "properties": { "id": "targinine-dazoxiben similarity", "source_label": "targinine", "target_label": "dazoxiben", "cosine_similarity": 0.3323436379432678 } }, { "source": "CID:3351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5709", "properties": { "id": "fipexide-xylometazoline similarity", "source_label": "fipexide", "target_label": "xylometazoline", "cosine_similarity": 0.2859884798526764 } }, { "source": "CID:2370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "bethanechol-Gossypetin similarity", "source_label": "bethanechol", "target_label": "Gossypetin", "cosine_similarity": 0.2671717703342438 } }, { "source": "CID:40854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4507", "properties": { "id": "oxfendazole-nitrendipine similarity", "source_label": "oxfendazole", "target_label": "nitrendipine", "cosine_similarity": 0.3172638416290283 } }, { "source": "CID:44489854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "SA-423131-XAV-939 similarity", "source_label": "SA-423131", "target_label": "XAV-939", "cosine_similarity": 0.4018950760364532 } }, { "source": "CID:101616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "lobeline-gossypin similarity", "source_label": "lobeline", "target_label": "gossypin", "cosine_similarity": 0.3018251359462738 } }, { "source": "CID:10074640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "masitinib-DL-PDMP similarity", "source_label": "masitinib", "target_label": "DL-PDMP", "cosine_similarity": 0.537500262260437 } }, { "source": "CID:755405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "ST-056792-K784-3187 similarity", "source_label": "ST-056792", "target_label": "K784-3187", "cosine_similarity": 0.7253736257553101 } }, { "source": "CID:3546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "HA-1004-EMF-csc-9 similarity", "source_label": "HA-1004", "target_label": "EMF-csc-9", "cosine_similarity": 0.3160375654697418 } }, { "source": "CID:13927310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "KUC103423N-methyl-fasudil similarity", "source_label": "KUC103423N", "target_label": "methyl-fasudil", "cosine_similarity": 0.276160717010498 } }, { "source": "CID:91486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13711", "properties": { "id": "safingol-torcitabine similarity", "source_label": "safingol", "target_label": "torcitabine", "cosine_similarity": 0.3171198964118957 } }, { "source": "CID:73707359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "L-ascorbyl-6-palmitate-SJ-172550 similarity", "source_label": "L-ascorbyl-6-palmitate", "target_label": "SJ-172550", "cosine_similarity": 0.2622321546077728 } }, { "source": "CID:46869941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11345983", "properties": { "id": "VU-0366037-2-cardiogenol-c similarity", "source_label": "VU-0366037-2", "target_label": "cardiogenol-c", "cosine_similarity": 0.2146333009004593 } }, { "source": "CID:1510378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "KU-C103671-pifithrin-mu similarity", "source_label": "KU-C103671", "target_label": "pifithrin-mu", "cosine_similarity": 0.2265940755605697 } }, { "source": "CID:4212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "mitoxantrone-idarubicin similarity", "source_label": "mitoxantrone", "target_label": "idarubicin", "cosine_similarity": 0.6721084713935852 } }, { "source": "CID:104858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "S-nitrosoglutathione-camicinal similarity", "source_label": "S-nitrosoglutathione", "target_label": "camicinal", "cosine_similarity": 0.2964856922626495 } }, { "source": "CID:667477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151075", "properties": { "id": "doxepin-nepafenac similarity", "source_label": "doxepin", "target_label": "nepafenac", "cosine_similarity": 0.2424075305461883 } }, { "source": "CID:139032007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "avermectin-I-070759 similarity", "source_label": "avermectin", "target_label": "I-070759", "cosine_similarity": 0.4871387779712677 } }, { "source": "CID:45281794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "VU-0365114-2-vincristine similarity", "source_label": "VU-0365114-2", "target_label": "vincristine", "cosine_similarity": 0.4875741302967071 } }, { "source": "CID:9954280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "nTZDpa-sorafenib similarity", "source_label": "nTZDpa", "target_label": "sorafenib", "cosine_similarity": 0.2638002634048462 } }, { "source": "CID:4233538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797577", "properties": { "id": "NAS-181-SRPIN-340 similarity", "source_label": "NAS-181", "target_label": "SRPIN-340", "cosine_similarity": 0.224888414144516 } }, { "source": "CID:6834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "brompheniramine-CEP-37440 similarity", "source_label": "brompheniramine", "target_label": "CEP-37440", "cosine_similarity": 0.2619268000125885 } }, { "source": "CID:44616599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "SA-427636-imiloxan similarity", "source_label": "SA-427636", "target_label": "imiloxan", "cosine_similarity": 0.2610736787319183 } }, { "source": "CID:54657716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657728", "properties": { "id": "SA-1457472-SA-1459224 similarity", "source_label": "SA-1457472", "target_label": "SA-1459224", "cosine_similarity": 0.3101117312908172 } }, { "source": "CID:46907798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73010922", "properties": { "id": "EMF-BCA1-64-ischemin similarity", "source_label": "EMF-BCA1-64", "target_label": "ischemin", "cosine_similarity": 0.366488367319107 } }, { "source": "CID:2727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4828", "properties": { "id": "chlorpropamide-pindolol similarity", "source_label": "chlorpropamide", "target_label": "pindolol", "cosine_similarity": 0.5062288641929626 } }, { "source": "CID:637566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753", "properties": { "id": "nerol-glycerol similarity", "source_label": "nerol", "target_label": "glycerol", "cosine_similarity": 0.2916197180747986 } }, { "source": "CID:6710662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "fluocinolone-acetonide-dexamethasone similarity", "source_label": "fluocinolone-acetonide", "target_label": "dexamethasone", "cosine_similarity": 0.6694095134735107 } }, { "source": "CID:2755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "cimaterol-ifosfamide similarity", "source_label": "cimaterol", "target_label": "ifosfamide", "cosine_similarity": 0.3321088552474975 } }, { "source": "CID:104858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "S-nitrosoglutathione-danegaptide similarity", "source_label": "S-nitrosoglutathione", "target_label": "danegaptide", "cosine_similarity": 0.2799477279186249 } }, { "source": "CID:4858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "PJ-34-NSC-23766 similarity", "source_label": "PJ-34", "target_label": "NSC-23766", "cosine_similarity": 0.4248764216899872 } }, { "source": "CID:4284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "diethyltoluamide-chloroquine similarity", "source_label": "diethyltoluamide", "target_label": "chloroquine", "cosine_similarity": 0.2290303260087967 } }, { "source": "CID:6918493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "ambrisentan-cilomilast similarity", "source_label": "ambrisentan", "target_label": "cilomilast", "cosine_similarity": 0.4548778235912323 } }, { "source": "CID:16124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4488", "properties": { "id": "medronic-acid-niflumic-acid similarity", "source_label": "medronic-acid", "target_label": "niflumic-acid", "cosine_similarity": 0.1623554080724716 } }, { "source": "CID:2355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6780", "properties": { "id": "bergapten-anthraquinone similarity", "source_label": "bergapten", "target_label": "anthraquinone", "cosine_similarity": 0.5543125867843628 } }, { "source": "CID:568416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "droxinostat-vorinostat similarity", "source_label": "droxinostat", "target_label": "vorinostat", "cosine_similarity": 0.6520212292671204 } }, { "source": "CID:5312557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "docosatrienoic-acid-2-phenylmelatonin similarity", "source_label": "docosatrienoic-acid", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.2335976213216781 } }, { "source": "CID:2148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4831", "properties": { "id": "aminohippuric-acid-pipemidic-acid similarity", "source_label": "aminohippuric-acid", "target_label": "pipemidic-acid", "cosine_similarity": 0.2653699517250061 } }, { "source": "CID:1697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "CGP-52411-pelitinib similarity", "source_label": "CGP-52411", "target_label": "pelitinib", "cosine_similarity": 0.273940235376358 } }, { "source": "CID:3721046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42785", "properties": { "id": "CNQX-metenkephalin similarity", "source_label": "CNQX", "target_label": "metenkephalin", "cosine_similarity": 0.3208562433719635 } }, { "source": "CID:5379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "gatifloxacin-orciprenaline similarity", "source_label": "gatifloxacin", "target_label": "orciprenaline", "cosine_similarity": 0.4958536624908447 } }, { "source": "CID:60190124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "SA-1939007-CGK-733 similarity", "source_label": "SA-1939007", "target_label": "CGK-733", "cosine_similarity": 0.2736615538597107 } }, { "source": "CID:5534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "tremorine-zebularine similarity", "source_label": "tremorine", "target_label": "zebularine", "cosine_similarity": 0.2873089909553528 } }, { "source": "CID:6604931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "aminopurvalanol-a-daunorubicin similarity", "source_label": "aminopurvalanol-a", "target_label": "daunorubicin", "cosine_similarity": 0.5100929141044617 } }, { "source": "CID:5280723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "alprostadil-PF-04217903 similarity", "source_label": "alprostadil", "target_label": "PF-04217903", "cosine_similarity": 0.3545473217964172 } }, { "source": "CID:54660111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497655", "properties": { "id": "SA-1459481-SA-102676 similarity", "source_label": "SA-1459481", "target_label": "SA-102676", "cosine_similarity": 0.2247523069381714 } }, { "source": "CID:4684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8796093", "properties": { "id": "parachlorophenol-KU-C103881 similarity", "source_label": "parachlorophenol", "target_label": "KU-C103881", "cosine_similarity": 0.2492711544036865 } }, { "source": "CID:44483234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "terreic-acid-CT-200783 similarity", "source_label": "terreic-acid", "target_label": "CT-200783", "cosine_similarity": 0.6209068298339844 } }, { "source": "CID:5765514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657705", "properties": { "id": "MW-STK33-1C-SA-1459172 similarity", "source_label": "MW-STK33-1C", "target_label": "SA-1459172", "cosine_similarity": 0.2656032741069793 } }, { "source": "CID:446556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "pemetrexed-BMS-191011 similarity", "source_label": "pemetrexed", "target_label": "BMS-191011", "cosine_similarity": 0.5255103707313538 } }, { "source": "CID:4687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "paraxanthine-marbofloxacin similarity", "source_label": "paraxanthine", "target_label": "marbofloxacin", "cosine_similarity": 0.3470565378665924 } }, { "source": "CID:24826799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "ponatinib-HG-6-64-01 similarity", "source_label": "ponatinib", "target_label": "HG-6-64-01", "cosine_similarity": 0.6603660583496094 } }, { "source": "CID:24775005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24868309", "properties": { "id": "sonidegib-CD-1530 similarity", "source_label": "sonidegib", "target_label": "CD-1530", "cosine_similarity": 0.3710736632347107 } }, { "source": "CID:45281797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45281794", "properties": { "id": "VU-0365117-1-VU-0365114-2 similarity", "source_label": "VU-0365117-1", "target_label": "VU-0365114-2", "cosine_similarity": 0.5938053727149963 } }, { "source": "CID:2467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "buflomedil-cholic-acid similarity", "source_label": "buflomedil", "target_label": "cholic-acid", "cosine_similarity": 0.3018385469913482 } }, { "source": "CID:3698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "amrinone-ABT-202 similarity", "source_label": "amrinone", "target_label": "ABT-202", "cosine_similarity": 0.3230209052562713 } }, { "source": "CID:6610243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "penitrem-a-benzbromarone similarity", "source_label": "penitrem-a", "target_label": "benzbromarone", "cosine_similarity": 0.4708134829998016 } }, { "source": "CID:11434515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "aclidinium-estramustine-phosphate similarity", "source_label": "aclidinium", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4709885716438293 } }, { "source": "CID:73707429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483329", "properties": { "id": "oligomycin-a-malonoben similarity", "source_label": "oligomycin-a", "target_label": "malonoben", "cosine_similarity": 0.5164074301719666 } }, { "source": "CID:33887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "almitrine-PF-04457845 similarity", "source_label": "almitrine", "target_label": "PF-04457845", "cosine_similarity": 0.4390042424201965 } }, { "source": "CID:73707593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153005", "properties": { "id": "JMV-431-tyramine similarity", "source_label": "JMV-431", "target_label": "tyramine", "cosine_similarity": 0.2428448498249054 } }, { "source": "CID:11977753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "NVP-BEZ235-PI-103 similarity", "source_label": "NVP-BEZ235", "target_label": "PI-103", "cosine_similarity": 0.8481675386428833 } }, { "source": "CID:155815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131747", "properties": { "id": "varespladib-SR-57227A similarity", "source_label": "varespladib", "target_label": "SR-57227A", "cosine_similarity": 0.3928606808185577 } }, { "source": "CID:25262965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "AZD-8055-OSI-027 similarity", "source_label": "AZD-8055", "target_label": "OSI-027", "cosine_similarity": 0.8613381385803223 } }, { "source": "CID:54596143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "TUL-XX023-lenalidomide similarity", "source_label": "TUL-XX023", "target_label": "lenalidomide", "cosine_similarity": 0.3735537230968475 } }, { "source": "CID:4099413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "SB-366791-KU-C104137 similarity", "source_label": "SB-366791", "target_label": "KU-C104137", "cosine_similarity": 0.2667919993400574 } }, { "source": "CID:1048845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "TCS-359-quercetin similarity", "source_label": "TCS-359", "target_label": "quercetin", "cosine_similarity": 0.3488277494907379 } }, { "source": "CID:35026803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "CAY-10470-RS-17053 similarity", "source_label": "CAY-10470", "target_label": "RS-17053", "cosine_similarity": 0.4921873807907104 } }, { "source": "CID:19385000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "L-755507-raloxifene similarity", "source_label": "L-755507", "target_label": "raloxifene", "cosine_similarity": 0.3429276645183563 } }, { "source": "CID:2853908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "SA-3676-I-606051 similarity", "source_label": "SA-3676", "target_label": "I-606051", "cosine_similarity": 0.465841680765152 } }, { "source": "CID:6041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "phenylephrine-cabergoline similarity", "source_label": "phenylephrine", "target_label": "cabergoline", "cosine_similarity": 0.350839614868164 } }, { "source": "CID:208908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "lapatinib-gefitinib similarity", "source_label": "lapatinib", "target_label": "gefitinib", "cosine_similarity": 0.6708446741104126 } }, { "source": "CID:55245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "mifepristone-nelfinavir similarity", "source_label": "mifepristone", "target_label": "nelfinavir", "cosine_similarity": 0.3047277629375458 } }, { "source": "CID:91610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "gliquidone-nemonapride similarity", "source_label": "gliquidone", "target_label": "nemonapride", "cosine_similarity": 0.3338371217250824 } }, { "source": "CID:29327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "streptozotocin-JZL-184 similarity", "source_label": "streptozotocin", "target_label": "JZL-184", "cosine_similarity": 0.3443112671375274 } }, { "source": "CID:33036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "dexchlorpheniramine-SA-441181 similarity", "source_label": "dexchlorpheniramine", "target_label": "SA-441181", "cosine_similarity": 0.2122813314199447 } }, { "source": "CID:44489454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "SA-84902-fasudil similarity", "source_label": "SA-84902", "target_label": "fasudil", "cosine_similarity": 0.2631323337554931 } }, { "source": "CID:5282230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "tranilast-travoprost similarity", "source_label": "tranilast", "target_label": "travoprost", "cosine_similarity": 0.4402599930763244 } }, { "source": "CID:60606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "clopidogrel-parecoxib similarity", "source_label": "clopidogrel", "target_label": "parecoxib", "cosine_similarity": 0.3747494220733642 } }, { "source": "CID:54657707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187611", "properties": { "id": "SA-1459291-SA-1939838 similarity", "source_label": "SA-1459291", "target_label": "SA-1939838", "cosine_similarity": 0.2817645967006683 } }, { "source": "CID:65482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "sinefungin-paraxanthine similarity", "source_label": "sinefungin", "target_label": "paraxanthine", "cosine_similarity": 0.2776146829128265 } }, { "source": "CID:680501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "AMG-9810-SC-144 similarity", "source_label": "AMG-9810", "target_label": "SC-144", "cosine_similarity": 0.3147033154964447 } }, { "source": "CID:5337366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "SA-25547-BNTX similarity", "source_label": "SA-25547", "target_label": "BNTX", "cosine_similarity": 0.6883584856987 } }, { "source": "CID:204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "allantoin-amikacin similarity", "source_label": "allantoin", "target_label": "amikacin", "cosine_similarity": 0.3482071459293365 } }, { "source": "CID:6918736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "rigosertib-ABT-751 similarity", "source_label": "rigosertib", "target_label": "ABT-751", "cosine_similarity": 0.738323450088501 } }, { "source": "CID:54676537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34633", "properties": { "id": "acenocoumarol-moracizine similarity", "source_label": "acenocoumarol", "target_label": "moracizine", "cosine_similarity": 0.302907645702362 } }, { "source": "CID:171548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "biotin-DAC-012 similarity", "source_label": "biotin", "target_label": "DAC-012", "cosine_similarity": 0.3449746072292328 } }, { "source": "CID:6604794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "RS-16566-tenofovir similarity", "source_label": "RS-16566", "target_label": "tenofovir", "cosine_similarity": 0.2390862107276916 } }, { "source": "CID:46224516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "UNC-0638-tamoxifen similarity", "source_label": "UNC-0638", "target_label": "tamoxifen", "cosine_similarity": 0.6552935838699341 } }, { "source": "CID:3036703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "zosuquidar-PD-198306 similarity", "source_label": "zosuquidar", "target_label": "PD-198306", "cosine_similarity": 0.4231437742710113 } }, { "source": "CID:51003694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "EMF-sumo1-39-EMF-bca1-16 similarity", "source_label": "EMF-sumo1-39", "target_label": "EMF-bca1-16", "cosine_similarity": 0.8388797640800476 } }, { "source": "CID:94701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "diprotin-a-PD-128907 similarity", "source_label": "diprotin-a", "target_label": "PD-128907", "cosine_similarity": 0.2519061267375946 } }, { "source": "CID:9804992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "givinostat-vorinostat similarity", "source_label": "givinostat", "target_label": "vorinostat", "cosine_similarity": 0.6702722907066345 } }, { "source": "CID:9839311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "A-205804-gossypin similarity", "source_label": "A-205804", "target_label": "gossypin", "cosine_similarity": 0.2860313653945923 } }, { "source": "CID:45281797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "VU-0365117-1-vinorelbine similarity", "source_label": "VU-0365117-1", "target_label": "vinorelbine", "cosine_similarity": 0.4752502739429474 } }, { "source": "CID:5035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "raloxifene-tamoxifen similarity", "source_label": "raloxifene", "target_label": "tamoxifen", "cosine_similarity": 0.6104500889778137 } }, { "source": "CID:4308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "NPC-15199-PT-630 similarity", "source_label": "NPC-15199", "target_label": "PT-630", "cosine_similarity": 0.2724208831787109 } }, { "source": "CID:2113511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "T-5345967-NU-1025 similarity", "source_label": "T-5345967", "target_label": "NU-1025", "cosine_similarity": 0.4972896575927734 } }, { "source": "CID:49843020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "CAM-9-021-myricetin similarity", "source_label": "CAM-9-021", "target_label": "myricetin", "cosine_similarity": 0.3544474840164184 } }, { "source": "CID:9903757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4462449", "properties": { "id": "BAY-36-7620-CAY-10578 similarity", "source_label": "BAY-36-7620", "target_label": "CAY-10578", "cosine_similarity": 0.1935835033655166 } }, { "source": "CID:6714003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "cyproterone-ST-059620 similarity", "source_label": "cyproterone", "target_label": "ST-059620", "cosine_similarity": 0.224075511097908 } }, { "source": "CID:49849912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "CAM-9-027-3-terfenadine similarity", "source_label": "CAM-9-027-3", "target_label": "terfenadine", "cosine_similarity": 0.6319313049316406 } }, { "source": "CID:5281614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "fisetin-drofenine similarity", "source_label": "fisetin", "target_label": "drofenine", "cosine_similarity": 0.4815588295459747 } }, { "source": "CID:51003695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "CVF-SUMO-7-EMF-sumo1-11 similarity", "source_label": "CVF-SUMO-7", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.7148258090019226 } }, { "source": "CID:13342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "vinblastine-dolastatin-10 similarity", "source_label": "vinblastine", "target_label": "dolastatin-10", "cosine_similarity": 0.8279748558998108 } }, { "source": "CID:9911463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "GW-405833-FCCP similarity", "source_label": "GW-405833", "target_label": "FCCP", "cosine_similarity": 0.4741840660572052 } }, { "source": "CID:124172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "SC-9-alfuzosin similarity", "source_label": "SC-9", "target_label": "alfuzosin", "cosine_similarity": 0.2893295288085937 } }, { "source": "CID:6603827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4943", "properties": { "id": "N20C-propofol similarity", "source_label": "N20C", "target_label": "propofol", "cosine_similarity": 0.2064739614725113 } }, { "source": "CID:5758458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "thiazolopyrimidine-PRIMA1 similarity", "source_label": "thiazolopyrimidine", "target_label": "PRIMA1", "cosine_similarity": 0.5122368931770325 } }, { "source": "CID:51038269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "GZD-824-ponatinib similarity", "source_label": "GZD-824", "target_label": "ponatinib", "cosine_similarity": 0.5596975684165955 } }, { "source": "CID:163844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "CGS-20625-aclidinium similarity", "source_label": "CGS-20625", "target_label": "aclidinium", "cosine_similarity": 0.4872870147228241 } }, { "source": "CID:44488817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "SA-84512-monocrotaline similarity", "source_label": "SA-84512", "target_label": "monocrotaline", "cosine_similarity": 0.3160906732082367 } }, { "source": "CID:25199517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "WAY-262611-terfenadine similarity", "source_label": "WAY-262611", "target_label": "terfenadine", "cosine_similarity": 0.3921957910060882 } }, { "source": "CID:4624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "oxidopamine-glutamine similarity", "source_label": "oxidopamine", "target_label": "glutamine", "cosine_similarity": 0.251898854970932 } }, { "source": "CID:44631784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "VU-0410183-2-VU-0418947-2 similarity", "source_label": "VU-0410183-2", "target_label": "VU-0418947-2", "cosine_similarity": 0.9207344651222228 } }, { "source": "CID:54477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "remoxipride-DAC-004 similarity", "source_label": "remoxipride", "target_label": "DAC-004", "cosine_similarity": 0.2856907248497009 } }, { "source": "CID:2018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "actarit-alizapride similarity", "source_label": "actarit", "target_label": "alizapride", "cosine_similarity": 0.6061582565307617 } }, { "source": "CID:4259181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134141", "properties": { "id": "SCH-79797-fluphenazine similarity", "source_label": "SCH-79797", "target_label": "fluphenazine", "cosine_similarity": 0.5378568768501282 } }, { "source": "CID:73707411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46233311", "properties": { "id": "treprostinil-GSK-0660 similarity", "source_label": "treprostinil", "target_label": "GSK-0660", "cosine_similarity": 0.2544746696949005 } }, { "source": "CID:4336830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5436", "properties": { "id": "SC-19220-thiamylal similarity", "source_label": "SC-19220", "target_label": "thiamylal", "cosine_similarity": 0.273919403553009 } }, { "source": "CID:6708518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "ambelline-dubinidine similarity", "source_label": "ambelline", "target_label": "dubinidine", "cosine_similarity": 0.2691366672515869 } }, { "source": "CID:12124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123606", "properties": { "id": "metacetamol-almotriptan similarity", "source_label": "metacetamol", "target_label": "almotriptan", "cosine_similarity": 0.5686978101730347 } }, { "source": "CID:11234052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:483407", "properties": { "id": "brivanib-maraviroc similarity", "source_label": "brivanib", "target_label": "maraviroc", "cosine_similarity": 0.4405058920383453 } }, { "source": "CID:5280961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "genistein-idarubicin similarity", "source_label": "genistein", "target_label": "idarubicin", "cosine_similarity": 0.356985867023468 } }, { "source": "CID:16123056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "voxtalisib-MLN-0128 similarity", "source_label": "voxtalisib", "target_label": "MLN-0128", "cosine_similarity": 0.6924871802330017 } }, { "source": "CID:11667893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "motesanib-yohimbine similarity", "source_label": "motesanib", "target_label": "yohimbine", "cosine_similarity": 0.4009774923324585 } }, { "source": "CID:1548953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "clomifene-sertraline similarity", "source_label": "clomifene", "target_label": "sertraline", "cosine_similarity": 0.511955976486206 } }, { "source": "CID:5865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31307", "properties": { "id": "prednisone-triamcinolone similarity", "source_label": "prednisone", "target_label": "triamcinolone", "cosine_similarity": 0.4447514414787292 } }, { "source": "CID:44602405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "KU-C104132-SA-101686 similarity", "source_label": "KU-C104132", "target_label": "SA-101686", "cosine_similarity": 0.1982284784317016 } }, { "source": "CID:54659868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1459031-SA-101686 similarity", "source_label": "SA-1459031", "target_label": "SA-101686", "cosine_similarity": 0.383685439825058 } }, { "source": "CID:55652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:114829", "properties": { "id": "spiradoline-MF-101 similarity", "source_label": "spiradoline", "target_label": "MF-101", "cosine_similarity": 0.2204059362411499 } }, { "source": "CID:5904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "benzylpenicillin-phenylacetylglutamine similarity", "source_label": "benzylpenicillin", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.3316704332828522 } }, { "source": "CID:16741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "phenethyl-isothiocyanate-pifithrin-mu similarity", "source_label": "phenethyl-isothiocyanate", "target_label": "pifithrin-mu", "cosine_similarity": 0.621745765209198 } }, { "source": "CID:8969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "yohimbine-granisetron similarity", "source_label": "yohimbine", "target_label": "granisetron", "cosine_similarity": 0.5438754558563232 } }, { "source": "CID:68802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "pirlindole-tandutinib similarity", "source_label": "pirlindole", "target_label": "tandutinib", "cosine_similarity": 0.3029851019382477 } }, { "source": "CID:2062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "tyrphostin-ASN-05257430 similarity", "source_label": "tyrphostin", "target_label": "ASN-05257430", "cosine_similarity": 0.2715710401535034 } }, { "source": "CID:4506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "nitrazepam-phenoxazine similarity", "source_label": "nitrazepam", "target_label": "phenoxazine", "cosine_similarity": 0.169968843460083 } }, { "source": "CID:10131112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132846", "properties": { "id": "EMD-386088-L-733060 similarity", "source_label": "EMD-386088", "target_label": "L-733060", "cosine_similarity": 0.3209195435047149 } }, { "source": "CID:31072", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "carbimazole-meclizine similarity", "source_label": "carbimazole", "target_label": "meclizine", "cosine_similarity": 0.3609743118286133 } }, { "source": "CID:135886614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "BG-1018-L-ergothioneine similarity", "source_label": "BG-1018", "target_label": "L-ergothioneine", "cosine_similarity": 0.3114233314990997 } }, { "source": "CID:11327430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11964036", "properties": { "id": "NU-7441-KU-0060648 similarity", "source_label": "NU-7441", "target_label": "KU-0060648", "cosine_similarity": 0.5678200721740723 } }, { "source": "CID:46697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "isosalsoline-MW-STK33-97 similarity", "source_label": "isosalsoline", "target_label": "MW-STK33-97", "cosine_similarity": 0.2741146683692932 } }, { "source": "CID:5330286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "palbociclib-R-547 similarity", "source_label": "palbociclib", "target_label": "R-547", "cosine_similarity": 0.7539626359939575 } }, { "source": "CID:2815801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "HTS-11203SC-inositol similarity", "source_label": "HTS-11203SC", "target_label": "inositol", "cosine_similarity": 0.2950345873832702 } }, { "source": "CID:4671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "palmitoylethanolamide-diazoxide similarity", "source_label": "palmitoylethanolamide", "target_label": "diazoxide", "cosine_similarity": 0.3839927613735199 } }, { "source": "CID:15951529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "enzalutamide-thiazolopyrimidine similarity", "source_label": "enzalutamide", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.5065053701400757 } }, { "source": "CID:2208391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "BJM-HSC2-10-parecoxib similarity", "source_label": "BJM-HSC2-10", "target_label": "parecoxib", "cosine_similarity": 0.2836492359638214 } }, { "source": "CID:6413301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "VLX-600-VU-0418934-2 similarity", "source_label": "VLX-600", "target_label": "VU-0418934-2", "cosine_similarity": 0.6565813422203064 } }, { "source": "CID:64715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "mevastatin-raloxifene similarity", "source_label": "mevastatin", "target_label": "raloxifene", "cosine_similarity": 0.4553436040878296 } }, { "source": "CID:72172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "ubenimex-felodipine similarity", "source_label": "ubenimex", "target_label": "felodipine", "cosine_similarity": 0.3338341414928436 } }, { "source": "CID:47099517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "ARG-CSC-18-EMF-csc-9 similarity", "source_label": "ARG-CSC-18", "target_label": "EMF-csc-9", "cosine_similarity": 0.3636719882488251 } }, { "source": "CID:7079134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6128", "properties": { "id": "JAS07-001-androstenedione similarity", "source_label": "JAS07-001", "target_label": "androstenedione", "cosine_similarity": 0.2433075457811355 } }, { "source": "CID:132519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "ilomastat-fomepizole similarity", "source_label": "ilomastat", "target_label": "fomepizole", "cosine_similarity": 0.3841072618961334 } }, { "source": "CID:5788723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "GBR-12783-GR-127935 similarity", "source_label": "GBR-12783", "target_label": "GR-127935", "cosine_similarity": 0.3383704423904419 } }, { "source": "CID:17748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20345", "properties": { "id": "quinoclamine-kinetin-riboside similarity", "source_label": "quinoclamine", "target_label": "kinetin-riboside", "cosine_similarity": 0.4141869246959686 } }, { "source": "CID:3033825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "levosimendan-alizapride similarity", "source_label": "levosimendan", "target_label": "alizapride", "cosine_similarity": 0.4715366661548614 } }, { "source": "CID:5280805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "rutin-rizatriptan similarity", "source_label": "rutin", "target_label": "rizatriptan", "cosine_similarity": 0.4047594666481018 } }, { "source": "CID:5034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "GW-5074-linifanib similarity", "source_label": "GW-5074", "target_label": "linifanib", "cosine_similarity": 0.4423549175262451 } }, { "source": "CID:229021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3947", "properties": { "id": "methandriol-lofepramine similarity", "source_label": "methandriol", "target_label": "lofepramine", "cosine_similarity": 0.2691436409950256 } }, { "source": "CID:6708518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "ambelline-amyleine similarity", "source_label": "ambelline", "target_label": "amyleine", "cosine_similarity": 0.2754932641983032 } }, { "source": "CID:5452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "thioridazine-tetrandrine similarity", "source_label": "thioridazine", "target_label": "tetrandrine", "cosine_similarity": 0.6397461295127869 } }, { "source": "CID:6610337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "dibutyrylcyclic-gmp-pentoxifylline similarity", "source_label": "dibutyrylcyclic-gmp", "target_label": "pentoxifylline", "cosine_similarity": 0.2549574077129364 } }, { "source": "CID:345945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "RAN-30-UB-165 similarity", "source_label": "RAN-30", "target_label": "UB-165", "cosine_similarity": 0.2333823293447494 } }, { "source": "CID:54666573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9829523", "properties": { "id": "SA-1919875-midostaurin similarity", "source_label": "SA-1919875", "target_label": "midostaurin", "cosine_similarity": 0.3012143075466156 } }, { "source": "CID:60194076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "MD-II-008-P-MD-II-051 similarity", "source_label": "MD-II-008-P", "target_label": "MD-II-051", "cosine_similarity": 0.7873455882072449 } }, { "source": "CID:2972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "deferiprone-GDC-0199 similarity", "source_label": "deferiprone", "target_label": "GDC-0199", "cosine_similarity": 0.3119258880615234 } }, { "source": "CID:1048845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760692", "properties": { "id": "TCS-359-U-0124 similarity", "source_label": "TCS-359", "target_label": "U-0124", "cosine_similarity": 0.3740661144256592 } }, { "source": "CID:492405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151075", "properties": { "id": "favipiravir-nepafenac similarity", "source_label": "favipiravir", "target_label": "nepafenac", "cosine_similarity": 0.4199725985527038 } }, { "source": "CID:5340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2284", "properties": { "id": "sulfathiazole-baclofen similarity", "source_label": "sulfathiazole", "target_label": "baclofen", "cosine_similarity": 0.3258591592311859 } }, { "source": "CID:44623844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "KU-C104228-L-ergothioneine similarity", "source_label": "KU-C104228", "target_label": "L-ergothioneine", "cosine_similarity": 0.315952867269516 } }, { "source": "CID:44208964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25019940", "properties": { "id": "SDZ-NKT-343-MK-3207 similarity", "source_label": "SDZ-NKT-343", "target_label": "MK-3207", "cosine_similarity": 0.2680353224277496 } }, { "source": "CID:1464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9799509", "properties": { "id": "bisbenzimide-ER-27319 similarity", "source_label": "bisbenzimide", "target_label": "ER-27319", "cosine_similarity": 0.3119096159934997 } }, { "source": "CID:16038120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "NVP-TAE684-saracatinib similarity", "source_label": "NVP-TAE684", "target_label": "saracatinib", "cosine_similarity": 0.4718380868434906 } }, { "source": "CID:3038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "diclofenamide-darinaparsin similarity", "source_label": "diclofenamide", "target_label": "darinaparsin", "cosine_similarity": 0.3404841125011444 } }, { "source": "CID:4071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1537", "properties": { "id": "mercaptopurine-thioguanine similarity", "source_label": "mercaptopurine", "target_label": "thioguanine", "cosine_similarity": 0.3399253487586975 } }, { "source": "CID:4915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "procarbazine-FTI-276 similarity", "source_label": "procarbazine", "target_label": "FTI-276", "cosine_similarity": 0.274088591337204 } }, { "source": "CID:5023925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "butabindide-BMS-191011 similarity", "source_label": "butabindide", "target_label": "BMS-191011", "cosine_similarity": 0.2817939221858978 } }, { "source": "CID:11771279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441074", "properties": { "id": "MRS-3777-quinidine similarity", "source_label": "MRS-3777", "target_label": "quinidine", "cosine_similarity": 0.2003402858972549 } }, { "source": "CID:2466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "bufexamac-TAK-733 similarity", "source_label": "bufexamac", "target_label": "TAK-733", "cosine_similarity": 0.2208254188299179 } }, { "source": "CID:11973736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "TG-100801-desoxypeganine similarity", "source_label": "TG-100801", "target_label": "desoxypeganine", "cosine_similarity": 0.3830314874649048 } }, { "source": "CID:4409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "nabumetone-JNJ-38877605 similarity", "source_label": "nabumetone", "target_label": "JNJ-38877605", "cosine_similarity": 0.2570374608039856 } }, { "source": "CID:42642648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2267", "properties": { "id": "ARRY-334543-azelastine similarity", "source_label": "ARRY-334543", "target_label": "azelastine", "cosine_similarity": 0.3202237486839294 } }, { "source": "CID:44500706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488994", "properties": { "id": "SA-97259-SA-89068 similarity", "source_label": "SA-97259", "target_label": "SA-89068", "cosine_similarity": 0.2645808458328247 } }, { "source": "CID:363863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "maackiain-remacemide similarity", "source_label": "maackiain", "target_label": "remacemide", "cosine_similarity": 0.3727408945560455 } }, { "source": "CID:3899541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "DNQX-saxagliptin similarity", "source_label": "DNQX", "target_label": "saxagliptin", "cosine_similarity": 0.3166766166687011 } }, { "source": "CID:4581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "octopamine-GW-9508 similarity", "source_label": "octopamine", "target_label": "GW-9508", "cosine_similarity": 0.205873429775238 } }, { "source": "CID:5281004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "budesonide-clobetasol similarity", "source_label": "budesonide", "target_label": "clobetasol", "cosine_similarity": 0.5891590714454651 } }, { "source": "CID:4822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:180933", "properties": { "id": "pimethixene-chrysenequinone similarity", "source_label": "pimethixene", "target_label": "chrysenequinone", "cosine_similarity": 0.2005912959575653 } }, { "source": "CID:11561674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "apremilast-ibutamoren similarity", "source_label": "apremilast", "target_label": "ibutamoren", "cosine_similarity": 0.4082415103912353 } }, { "source": "CID:11957615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107896", "properties": { "id": "lisuride-gabazine similarity", "source_label": "lisuride", "target_label": "gabazine", "cosine_similarity": 0.2680644392967224 } }, { "source": "CID:8249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "phenformin-linsidomine similarity", "source_label": "phenformin", "target_label": "linsidomine", "cosine_similarity": 0.4567373991012573 } }, { "source": "CID:11625818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "idelalisib-amikacin similarity", "source_label": "idelalisib", "target_label": "amikacin", "cosine_similarity": 0.5784347653388977 } }, { "source": "CID:176157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "NBI-27914-TAK-715 similarity", "source_label": "NBI-27914", "target_label": "TAK-715", "cosine_similarity": 0.2625673711299896 } }, { "source": "CID:6710740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:363863", "properties": { "id": "endecaphyllin-x-maackiain similarity", "source_label": "endecaphyllin-x", "target_label": "maackiain", "cosine_similarity": 0.2886712253093719 } }, { "source": "CID:244898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "lumicolchicine-MW-MITF9 similarity", "source_label": "lumicolchicine", "target_label": "MW-MITF9", "cosine_similarity": 0.2459204792976379 } }, { "source": "CID:24871028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6196", "properties": { "id": "nystatin-oxacillin similarity", "source_label": "nystatin", "target_label": "oxacillin", "cosine_similarity": 0.218422845005989 } }, { "source": "CID:5983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "physostigmine-aminoguanidine similarity", "source_label": "physostigmine", "target_label": "aminoguanidine", "cosine_similarity": 0.4163922071456909 } }, { "source": "CID:73707535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994", "properties": { "id": "BG-1006-M-344 similarity", "source_label": "BG-1006", "target_label": "M-344", "cosine_similarity": 0.5627827048301697 } }, { "source": "CID:60190124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "SA-1939007-SA-1455822 similarity", "source_label": "SA-1939007", "target_label": "SA-1455822", "cosine_similarity": 0.296917200088501 } }, { "source": "CID:9910486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "SB-705498-pregnenolone similarity", "source_label": "SB-705498", "target_label": "pregnenolone", "cosine_similarity": 0.3084639012813568 } }, { "source": "CID:5362129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "ramipril-lenalidomide similarity", "source_label": "ramipril", "target_label": "lenalidomide", "cosine_similarity": 0.2492310851812362 } }, { "source": "CID:60825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "lamivudine-actarit similarity", "source_label": "lamivudine", "target_label": "actarit", "cosine_similarity": 0.4553175270557403 } }, { "source": "CID:3503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "gossypol-sorafenib similarity", "source_label": "gossypol", "target_label": "sorafenib", "cosine_similarity": 0.5333952903747559 } }, { "source": "CID:54416524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "doxycycline-artesunate similarity", "source_label": "doxycycline", "target_label": "artesunate", "cosine_similarity": 0.3996557593345642 } }, { "source": "CID:219271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "EBPC-tirasemtiv similarity", "source_label": "EBPC", "target_label": "tirasemtiv", "cosine_similarity": 0.3160482347011566 } }, { "source": "CID:54657141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-1462678-SA-1473405 similarity", "source_label": "SA-1462678", "target_label": "SA-1473405", "cosine_similarity": 0.3246013522148132 } }, { "source": "CID:4250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "morantel-cytosporone-b similarity", "source_label": "morantel", "target_label": "cytosporone-b", "cosine_similarity": 0.218769833445549 } }, { "source": "CID:82148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "agomelatine-lenalidomide similarity", "source_label": "agomelatine", "target_label": "lenalidomide", "cosine_similarity": 0.3468340039253235 } }, { "source": "CID:54657758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504533", "properties": { "id": "SA-1459020-SA-103150 similarity", "source_label": "SA-1459020", "target_label": "SA-103150", "cosine_similarity": 0.2951392531394958 } }, { "source": "CID:68634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3229", "properties": { "id": "oxiperomide-enoxacin similarity", "source_label": "oxiperomide", "target_label": "enoxacin", "cosine_similarity": 0.3001250922679901 } }, { "source": "CID:10219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "emetine-cephaeline similarity", "source_label": "emetine", "target_label": "cephaeline", "cosine_similarity": 0.8467419743537903 } }, { "source": "CID:5281792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124334", "properties": { "id": "rosmarinic-acid-PIT similarity", "source_label": "rosmarinic-acid", "target_label": "PIT", "cosine_similarity": 0.2897199988365173 } }, { "source": "CID:58573469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "AMG-232-palbociclib similarity", "source_label": "AMG-232", "target_label": "palbociclib", "cosine_similarity": 0.5097317695617676 } }, { "source": "CID:4456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34870", "properties": { "id": "neostigmine-amineptine similarity", "source_label": "neostigmine", "target_label": "amineptine", "cosine_similarity": 0.4052459895610809 } }, { "source": "CID:82146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60769", "properties": { "id": "bexarotene-MDL-73005EF similarity", "source_label": "bexarotene", "target_label": "MDL-73005EF", "cosine_similarity": 0.3990098237991333 } }, { "source": "CID:9681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "methysergide-UNC-0321 similarity", "source_label": "methysergide", "target_label": "UNC-0321", "cosine_similarity": 0.3081918358802795 } }, { "source": "CID:5641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311304", "properties": { "id": "urethane-nalbuphine similarity", "source_label": "urethane", "target_label": "nalbuphine", "cosine_similarity": 0.2730883359909057 } }, { "source": "CID:3305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "etidronic-acid-etamsylate similarity", "source_label": "etidronic-acid", "target_label": "etamsylate", "cosine_similarity": 0.3059967160224914 } }, { "source": "CID:3341", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "fenoldopam-epirizole similarity", "source_label": "fenoldopam", "target_label": "epirizole", "cosine_similarity": 0.3289501965045929 } }, { "source": "CID:9863367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62959", "properties": { "id": "SB-242235-trovafloxacin similarity", "source_label": "SB-242235", "target_label": "trovafloxacin", "cosine_similarity": 0.3702268004417419 } }, { "source": "CID:53382764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-1459213-SA-1457188 similarity", "source_label": "SA-1459213", "target_label": "SA-1457188", "cosine_similarity": 0.5543072819709778 } }, { "source": "CID:4912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "probucol-cholic-acid similarity", "source_label": "probucol", "target_label": "cholic-acid", "cosine_similarity": 0.4792580902576446 } }, { "source": "CID:3784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "isradipine-zebularine similarity", "source_label": "isradipine", "target_label": "zebularine", "cosine_similarity": 0.4335429668426513 } }, { "source": "CID:44483393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088438", "properties": { "id": "SA-85901-ML-130 similarity", "source_label": "SA-85901", "target_label": "ML-130", "cosine_similarity": 0.2989882528781891 } }, { "source": "CID:71271629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "PFI-1-bromosporine similarity", "source_label": "PFI-1", "target_label": "bromosporine", "cosine_similarity": 0.7172298431396484 } }, { "source": "CID:44495084", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "SA-440772-dienestrol similarity", "source_label": "SA-440772", "target_label": "dienestrol", "cosine_similarity": 0.289776474237442 } }, { "source": "CID:771910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65373", "properties": { "id": "ITSA-1-secoisolariciresinol similarity", "source_label": "ITSA-1", "target_label": "secoisolariciresinol", "cosine_similarity": 0.3025775253772735 } }, { "source": "CID:448014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "AR-A014418-APO-866 similarity", "source_label": "AR-A014418", "target_label": "APO-866", "cosine_similarity": 0.4133906364440918 } }, { "source": "CID:439285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "choline-alfoscerate-VX-222 similarity", "source_label": "choline-alfoscerate", "target_label": "VX-222", "cosine_similarity": 0.3130743205547333 } }, { "source": "CID:1292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "mandelic-acid-temozolomide similarity", "source_label": "mandelic-acid", "target_label": "temozolomide", "cosine_similarity": 0.2121048420667648 } }, { "source": "CID:5362440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "indinavir-marbofloxacin similarity", "source_label": "indinavir", "target_label": "marbofloxacin", "cosine_similarity": 0.5472576022148132 } }, { "source": "CID:464205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "tenofovir-KU-C104137 similarity", "source_label": "tenofovir", "target_label": "KU-C104137", "cosine_similarity": 0.3353426456451416 } }, { "source": "CID:5702164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "puromycin-EMF-bca1-16 similarity", "source_label": "puromycin", "target_label": "EMF-bca1-16", "cosine_similarity": 0.8009271621704102 } }, { "source": "CID:3292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "ethotoin-orciprenaline similarity", "source_label": "ethotoin", "target_label": "orciprenaline", "cosine_similarity": 0.2497532665729522 } }, { "source": "CID:46907798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1775", "properties": { "id": "EMF-BCA1-64-phenytoin similarity", "source_label": "EMF-BCA1-64", "target_label": "phenytoin", "cosine_similarity": 0.3678478896617889 } }, { "source": "CID:73707437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "YL-53-DR-2313 similarity", "source_label": "YL-53", "target_label": "DR-2313", "cosine_similarity": 0.2432034462690353 } }, { "source": "CID:9828911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4418", "properties": { "id": "anamorelin-naftopidil similarity", "source_label": "anamorelin", "target_label": "naftopidil", "cosine_similarity": 0.4304123222827911 } }, { "source": "CID:72200818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "GSK-J1-JW-55 similarity", "source_label": "GSK-J1", "target_label": "JW-55", "cosine_similarity": 0.5355430245399475 } }, { "source": "CID:51039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "cefaclor-Gossypetin similarity", "source_label": "cefaclor", "target_label": "Gossypetin", "cosine_similarity": 0.2706733644008636 } }, { "source": "CID:56208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "sarafloxacin-AR-C133057XX similarity", "source_label": "sarafloxacin", "target_label": "AR-C133057XX", "cosine_similarity": 0.2123289555311203 } }, { "source": "CID:124704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "pyrazinoylguanidine-dipyridamole similarity", "source_label": "pyrazinoylguanidine", "target_label": "dipyridamole", "cosine_similarity": 0.4826120138168335 } }, { "source": "CID:10341154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "VX-702-SB-239063 similarity", "source_label": "VX-702", "target_label": "SB-239063", "cosine_similarity": 0.2868328988552093 } }, { "source": "CID:44139710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10461508", "properties": { "id": "KIN-001-220-volasertib similarity", "source_label": "KIN-001-220", "target_label": "volasertib", "cosine_similarity": 0.3478929698467254 } }, { "source": "CID:44493137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "SD-8-005-BG-STK33-55 similarity", "source_label": "SD-8-005", "target_label": "BG-STK33-55", "cosine_similarity": 0.2480939775705337 } }, { "source": "CID:44607360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "WZ-3146-dasatinib similarity", "source_label": "WZ-3146", "target_label": "dasatinib", "cosine_similarity": 0.5313271284103394 } }, { "source": "CID:38945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "tocainide-YK-4279 similarity", "source_label": "tocainide", "target_label": "YK-4279", "cosine_similarity": 0.2886340916156769 } }, { "source": "CID:154575236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747176", "properties": { "id": "tribenoside-PSH-021 similarity", "source_label": "tribenoside", "target_label": "PSH-021", "cosine_similarity": 0.1604687869548797 } }, { "source": "CID:5702166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707447", "properties": { "id": "peruvoside-lanatoside-c similarity", "source_label": "peruvoside", "target_label": "lanatoside-c", "cosine_similarity": 0.5260230302810669 } }, { "source": "CID:7211972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5244802", "properties": { "id": "VU-0240551-BRL-52537 similarity", "source_label": "VU-0240551", "target_label": "BRL-52537", "cosine_similarity": 0.2494555413722992 } }, { "source": "CID:65057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "diphencyprone-puromycin similarity", "source_label": "diphencyprone", "target_label": "puromycin", "cosine_similarity": 0.4548881947994232 } }, { "source": "CID:3080836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26248", "properties": { "id": "clonixin-lysinate-diacerein similarity", "source_label": "clonixin-lysinate", "target_label": "diacerein", "cosine_similarity": 0.2173748016357422 } }, { "source": "CID:1126109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "JX-401-SB-239063 similarity", "source_label": "JX-401", "target_label": "SB-239063", "cosine_similarity": 0.3887718617916107 } }, { "source": "CID:54657729", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "SA-1459454-idelalisib similarity", "source_label": "SA-1459454", "target_label": "idelalisib", "cosine_similarity": 0.2976165413856506 } }, { "source": "CID:15443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "azaperone-estropipate similarity", "source_label": "azaperone", "target_label": "estropipate", "cosine_similarity": 0.2582185864448547 } }, { "source": "CID:3348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "fexofenadine-marbofloxacin similarity", "source_label": "fexofenadine", "target_label": "marbofloxacin", "cosine_similarity": 0.4371236860752105 } }, { "source": "CID:3287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23760717", "properties": { "id": "ethionamide-CA-074-Me similarity", "source_label": "ethionamide", "target_label": "CA-074-Me", "cosine_similarity": 0.194133922457695 } }, { "source": "CID:2796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "clofibrate-venlafaxine similarity", "source_label": "clofibrate", "target_label": "venlafaxine", "cosine_similarity": 0.3586945831775665 } }, { "source": "CID:121396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "carglumic-acid-primaquine similarity", "source_label": "carglumic-acid", "target_label": "primaquine", "cosine_similarity": 0.3820116817951202 } }, { "source": "CID:72303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "honokiol-chlorpropamide similarity", "source_label": "honokiol", "target_label": "chlorpropamide", "cosine_similarity": 0.530461847782135 } }, { "source": "CID:135412158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9363", "properties": { "id": "OM-137-etamivan similarity", "source_label": "OM-137", "target_label": "etamivan", "cosine_similarity": 0.2324986010789871 } }, { "source": "CID:6914657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "FK-866-dalcetrapib similarity", "source_label": "FK-866", "target_label": "dalcetrapib", "cosine_similarity": 0.4380222260951996 } }, { "source": "CID:3795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "WHI-P154-PD-198306 similarity", "source_label": "WHI-P154", "target_label": "PD-198306", "cosine_similarity": 0.5510199666023254 } }, { "source": "CID:54666572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "SA-1921617-vemurafenib similarity", "source_label": "SA-1921617", "target_label": "vemurafenib", "cosine_similarity": 0.2433598488569259 } }, { "source": "CID:2187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "anastrozole-temozolomide similarity", "source_label": "anastrozole", "target_label": "temozolomide", "cosine_similarity": 0.3390817940235138 } }, { "source": "CID:54668348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657741", "properties": { "id": "SA-1922975-SA-1456039 similarity", "source_label": "SA-1922975", "target_label": "SA-1456039", "cosine_similarity": 0.3170569837093353 } }, { "source": "CID:2284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "baclofen-AR-C133057XX similarity", "source_label": "baclofen", "target_label": "AR-C133057XX", "cosine_similarity": 0.247387021780014 } }, { "source": "CID:5702069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "hydrocortisone-hemisuccinate-dexamethasone similarity", "source_label": "hydrocortisone-hemisuccinate", "target_label": "dexamethasone", "cosine_similarity": 0.4298731088638305 } }, { "source": "CID:3038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "diclofenamide-MW-MITF22 similarity", "source_label": "diclofenamide", "target_label": "MW-MITF22", "cosine_similarity": 0.355266273021698 } }, { "source": "CID:6708573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "oleanolic-acid-salicyl-alcohol similarity", "source_label": "oleanolic-acid", "target_label": "salicyl-alcohol", "cosine_similarity": 0.2159224152565002 } }, { "source": "CID:13121776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707560", "properties": { "id": "nafcilline-DASB similarity", "source_label": "nafcilline", "target_label": "DASB", "cosine_similarity": 0.1740613132715225 } }, { "source": "CID:73364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "calpeptin-sirolimus similarity", "source_label": "calpeptin", "target_label": "sirolimus", "cosine_similarity": 0.3773294389247894 } }, { "source": "CID:219104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135400439", "properties": { "id": "PX-12-KF-38789 similarity", "source_label": "PX-12", "target_label": "KF-38789", "cosine_similarity": 0.4028796553611755 } }, { "source": "CID:3825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "ketoprofen-milrinone similarity", "source_label": "ketoprofen", "target_label": "milrinone", "cosine_similarity": 0.3106219470500946 } }, { "source": "CID:3360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "floctafenine-levosulpiride similarity", "source_label": "floctafenine", "target_label": "levosulpiride", "cosine_similarity": 0.2049024254083633 } }, { "source": "CID:3994476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "MM77-phenacemide similarity", "source_label": "MM77", "target_label": "phenacemide", "cosine_similarity": 0.5053220391273499 } }, { "source": "CID:4171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "metoprolol-saxagliptin similarity", "source_label": "metoprolol", "target_label": "saxagliptin", "cosine_similarity": 0.4018469750881195 } }, { "source": "CID:101498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9893887", "properties": { "id": "5-FP-L-368899 similarity", "source_label": "5-FP", "target_label": "L-368899", "cosine_similarity": 0.239401176571846 } }, { "source": "CID:44623844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133017", "properties": { "id": "KU-C104228-rupatadine similarity", "source_label": "KU-C104228", "target_label": "rupatadine", "cosine_similarity": 0.3336221277713775 } }, { "source": "CID:104842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "SN-38-camptothecin similarity", "source_label": "SN-38", "target_label": "camptothecin", "cosine_similarity": 0.8717586398124695 } }, { "source": "CID:70680404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "AT1-SHH-09-CGS-21680 similarity", "source_label": "AT1-SHH-09", "target_label": "CGS-21680", "cosine_similarity": 0.3415862023830414 } }, { "source": "CID:5311100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "fluprostenol-TUL-XX023 similarity", "source_label": "fluprostenol", "target_label": "TUL-XX023", "cosine_similarity": 0.2685461640357971 } }, { "source": "CID:16659841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "AZD-1480-ruxolitinib similarity", "source_label": "AZD-1480", "target_label": "ruxolitinib", "cosine_similarity": 0.4064784049987793 } }, { "source": "CID:11667893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "motesanib-SB-239063 similarity", "source_label": "motesanib", "target_label": "SB-239063", "cosine_similarity": 0.4201644659042358 } }, { "source": "CID:16678941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "VX-809-terbinafine similarity", "source_label": "VX-809", "target_label": "terbinafine", "cosine_similarity": 0.4000411629676819 } }, { "source": "CID:3611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "hinokitiol-VU-0418946-1 similarity", "source_label": "hinokitiol", "target_label": "VU-0418946-1", "cosine_similarity": 0.6079447865486145 } }, { "source": "CID:9826528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "PD-0325901-trametinib similarity", "source_label": "PD-0325901", "target_label": "trametinib", "cosine_similarity": 0.9407784342765808 } }, { "source": "CID:24889392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2162", "properties": { "id": "quizartinib-amlodipine similarity", "source_label": "quizartinib", "target_label": "amlodipine", "cosine_similarity": 0.3799068629741668 } }, { "source": "CID:3117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5455", "properties": { "id": "disulfiram-thiram similarity", "source_label": "disulfiram", "target_label": "thiram", "cosine_similarity": 0.5836511254310608 } }, { "source": "CID:129348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "PCO-400-iniparib similarity", "source_label": "PCO-400", "target_label": "iniparib", "cosine_similarity": 0.3255855143070221 } }, { "source": "CID:54654430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "SA-1463810-mepivacaine similarity", "source_label": "SA-1463810", "target_label": "mepivacaine", "cosine_similarity": 0.2110388129949569 } }, { "source": "CID:39147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "nadolol-FTI-276 similarity", "source_label": "nadolol", "target_label": "FTI-276", "cosine_similarity": 0.3963794410228729 } }, { "source": "CID:104845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946732", "properties": { "id": "alfaxalone-STK-111867 similarity", "source_label": "alfaxalone", "target_label": "STK-111867", "cosine_similarity": 0.2526171803474426 } }, { "source": "CID:46897844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5032", "properties": { "id": "VU-0420363-1-racephedrine similarity", "source_label": "VU-0420363-1", "target_label": "racephedrine", "cosine_similarity": 0.217374101281166 } }, { "source": "CID:839770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5105", "properties": { "id": "RAN-14B-roxatidine similarity", "source_label": "RAN-14B", "target_label": "roxatidine", "cosine_similarity": 0.2595476508140564 } }, { "source": "CID:5962587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10251", "properties": { "id": "triacetylresveratrol-flavanone similarity", "source_label": "triacetylresveratrol", "target_label": "flavanone", "cosine_similarity": 0.2304230034351349 } }, { "source": "CID:5494449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "tozasertib-promazine similarity", "source_label": "tozasertib", "target_label": "promazine", "cosine_similarity": 0.3639362156391144 } }, { "source": "CID:73707453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610261", "properties": { "id": "benzathine-L-744832 similarity", "source_label": "benzathine", "target_label": "L-744832", "cosine_similarity": 0.1924307644367218 } }, { "source": "CID:105008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "paxilline-lasalocid similarity", "source_label": "paxilline", "target_label": "lasalocid", "cosine_similarity": 0.3022536635398865 } }, { "source": "CID:60846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "valsartan-levonorgestrel similarity", "source_label": "valsartan", "target_label": "levonorgestrel", "cosine_similarity": 0.4683814346790313 } }, { "source": "CID:299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "kepone-I-606051 similarity", "source_label": "kepone", "target_label": "I-606051", "cosine_similarity": 0.312712013721466 } }, { "source": "CID:44543525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5400", "properties": { "id": "KU-C103871-TER-14687 similarity", "source_label": "KU-C103871", "target_label": "TER-14687", "cosine_similarity": 0.2114540189504623 } }, { "source": "CID:86101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445621", "properties": { "id": "epidepride-glucosamine similarity", "source_label": "epidepride", "target_label": "glucosamine", "cosine_similarity": 0.2198454439640045 } }, { "source": "CID:22416251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "KU-C103882-CVF-SUMO-14 similarity", "source_label": "KU-C103882", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.2680187821388244 } }, { "source": "CID:56676725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "BIX-01338-TUL-XXI039 similarity", "source_label": "BIX-01338", "target_label": "TUL-XXI039", "cosine_similarity": 0.2473009079694748 } }, { "source": "CID:11467730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "BMS-509744-imatinib similarity", "source_label": "BMS-509744", "target_label": "imatinib", "cosine_similarity": 0.2855340838432312 } }, { "source": "CID:46943258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "VU-0424206-1-SA-427543 similarity", "source_label": "VU-0424206-1", "target_label": "SA-427543", "cosine_similarity": 0.3063549399375915 } }, { "source": "CID:3646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "hydrocotarnine-zebularine similarity", "source_label": "hydrocotarnine", "target_label": "zebularine", "cosine_similarity": 0.3213827013969421 } }, { "source": "CID:11552757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9860529", "properties": { "id": "LY-2365109-NU-7026 similarity", "source_label": "LY-2365109", "target_label": "NU-7026", "cosine_similarity": 0.4034245908260345 } }, { "source": "CID:2913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629987", "properties": { "id": "cyproheptadine-brivudine similarity", "source_label": "cyproheptadine", "target_label": "brivudine", "cosine_similarity": 0.3142859041690826 } }, { "source": "CID:9809715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42642645", "properties": { "id": "nintedanib-foretinib similarity", "source_label": "nintedanib", "target_label": "foretinib", "cosine_similarity": 0.3205485939979553 } }, { "source": "CID:5353852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "oxamflatin-Fluoro-SAHA similarity", "source_label": "oxamflatin", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.5647422671318054 } }, { "source": "CID:2206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "phenazone-TUL-XX025TFA similarity", "source_label": "phenazone", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3321220278739929 } }, { "source": "CID:1548942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "capsaicin-PTB1 similarity", "source_label": "capsaicin", "target_label": "PTB1", "cosine_similarity": 0.4575434327125549 } }, { "source": "CID:11219835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91486", "properties": { "id": "ataluren-safingol similarity", "source_label": "ataluren", "target_label": "safingol", "cosine_similarity": 0.4011624455451965 } }, { "source": "CID:24780598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658215", "properties": { "id": "danirixin-SA-1457103 similarity", "source_label": "danirixin", "target_label": "SA-1457103", "cosine_similarity": 0.170236274600029 } }, { "source": "CID:5280863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "kaempferol-amidopyrine similarity", "source_label": "kaempferol", "target_label": "amidopyrine", "cosine_similarity": 0.2940672934055328 } }, { "source": "CID:11282283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "amuvatinib-TPCA-1 similarity", "source_label": "amuvatinib", "target_label": "TPCA-1", "cosine_similarity": 0.4373696446418762 } }, { "source": "CID:91769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26987", "properties": { "id": "zolantidine-clemastine similarity", "source_label": "zolantidine", "target_label": "clemastine", "cosine_similarity": 0.3159383833408355 } }, { "source": "CID:40854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "oxfendazole-cisapride similarity", "source_label": "oxfendazole", "target_label": "cisapride", "cosine_similarity": 0.3040967881679535 } }, { "source": "CID:128853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "delphinidin-venlafaxine similarity", "source_label": "delphinidin", "target_label": "venlafaxine", "cosine_similarity": 0.1263241469860077 } }, { "source": "CID:73707519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441749", "properties": { "id": "chlortetracycline-napelline similarity", "source_label": "chlortetracycline", "target_label": "napelline", "cosine_similarity": 0.2070780992507934 } }, { "source": "CID:6006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6399253", "properties": { "id": "leucovorin-cefdinir similarity", "source_label": "leucovorin", "target_label": "cefdinir", "cosine_similarity": 0.2826796174049377 } }, { "source": "CID:46215815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "GSK-2334470-KU-0063794 similarity", "source_label": "GSK-2334470", "target_label": "KU-0063794", "cosine_similarity": 0.6732590794563293 } }, { "source": "CID:5614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "tyrphostin-A9-I-070759 similarity", "source_label": "tyrphostin-A9", "target_label": "I-070759", "cosine_similarity": 0.7354515194892883 } }, { "source": "CID:6603820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702076", "properties": { "id": "dihydrexidine-isoxsuprine similarity", "source_label": "dihydrexidine", "target_label": "isoxsuprine", "cosine_similarity": 0.2785801589488983 } }, { "source": "CID:11219195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3646984", "properties": { "id": "KU-C103658-F-1061-0166 similarity", "source_label": "KU-C103658", "target_label": "F-1061-0166", "cosine_similarity": 0.2759878039360046 } }, { "source": "CID:3280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10099206", "properties": { "id": "ethaverine-LB-42708 similarity", "source_label": "ethaverine", "target_label": "LB-42708", "cosine_similarity": 0.2914712727069855 } }, { "source": "CID:44497312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "SD-6-035-B3-minoxidil similarity", "source_label": "SD-6-035-B3", "target_label": "minoxidil", "cosine_similarity": 0.2168996483087539 } }, { "source": "CID:73707524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "stanozolol-mepivacaine similarity", "source_label": "stanozolol", "target_label": "mepivacaine", "cosine_similarity": 0.2308489084243774 } }, { "source": "CID:25429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "carbendazim-7-nitroindazole similarity", "source_label": "carbendazim", "target_label": "7-nitroindazole", "cosine_similarity": 0.3255755603313446 } }, { "source": "CID:5280450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "linoleic-acid-NU-1025 similarity", "source_label": "linoleic-acid", "target_label": "NU-1025", "cosine_similarity": 0.4875588715076446 } }, { "source": "CID:5374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "talipexole-DAC-012 similarity", "source_label": "talipexole", "target_label": "DAC-012", "cosine_similarity": 0.3008264601230621 } }, { "source": "CID:11754511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "BX-912-ALW-II-49-7 similarity", "source_label": "BX-912", "target_label": "ALW-II-49-7", "cosine_similarity": 0.3026248216629028 } }, { "source": "CID:73707410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2930014", "properties": { "id": "ebelactone-b-K-858 similarity", "source_label": "ebelactone-b", "target_label": "K-858", "cosine_similarity": 0.299199104309082 } }, { "source": "CID:135564985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736529", "properties": { "id": "ganetespib-BIIB-021 similarity", "source_label": "ganetespib", "target_label": "BIIB-021", "cosine_similarity": 0.8587309718132019 } }, { "source": "CID:9941444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "pasireotide-gliclazide similarity", "source_label": "pasireotide", "target_label": "gliclazide", "cosine_similarity": 0.3409071564674377 } }, { "source": "CID:4210951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "SB-415286-AG-14361 similarity", "source_label": "SB-415286", "target_label": "AG-14361", "cosine_similarity": 0.4041910469532013 } }, { "source": "CID:2690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "CGS-15943-NSC-3852 similarity", "source_label": "CGS-15943", "target_label": "NSC-3852", "cosine_similarity": 0.5099598169326782 } }, { "source": "CID:3343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6913176", "properties": { "id": "fenoterol-NXY-059 similarity", "source_label": "fenoterol", "target_label": "NXY-059", "cosine_similarity": 0.3129476606845855 } }, { "source": "CID:11689883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6037", "properties": { "id": "omecamtiv-mecarbil-folic-acid similarity", "source_label": "omecamtiv-mecarbil", "target_label": "folic-acid", "cosine_similarity": 0.4471292793750763 } }, { "source": "CID:24733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "alfadolone-acetate-sparfosic-acid similarity", "source_label": "alfadolone-acetate", "target_label": "sparfosic-acid", "cosine_similarity": 0.2711759805679321 } }, { "source": "CID:4039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16351", "properties": { "id": "meclofenoxate-clotiapine similarity", "source_label": "meclofenoxate", "target_label": "clotiapine", "cosine_similarity": 0.225259780883789 } }, { "source": "CID:4621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3762", "properties": { "id": "oxetacaine-isoetharine similarity", "source_label": "oxetacaine", "target_label": "isoetharine", "cosine_similarity": 0.2457021474838256 } }, { "source": "CID:135787369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "BG-1020-phenothiazine similarity", "source_label": "BG-1020", "target_label": "phenothiazine", "cosine_similarity": 0.3014962375164032 } }, { "source": "CID:13013971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446596", "properties": { "id": "depomedrol-mupirocin similarity", "source_label": "depomedrol", "target_label": "mupirocin", "cosine_similarity": 0.2862879931926727 } }, { "source": "CID:3036703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4534086", "properties": { "id": "zosuquidar-KB-R7943 similarity", "source_label": "zosuquidar", "target_label": "KB-R7943", "cosine_similarity": 0.3925656676292419 } }, { "source": "CID:643951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "necrostatin-1-DL-TBOA similarity", "source_label": "necrostatin-1", "target_label": "DL-TBOA", "cosine_similarity": 0.4259654581546783 } }, { "source": "CID:72947410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "MD-II-051-MD-II-008-P similarity", "source_label": "MD-II-051", "target_label": "MD-II-008-P", "cosine_similarity": 0.7873455882072449 } }, { "source": "CID:46926360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "PF-04620110-sofalcone similarity", "source_label": "PF-04620110", "target_label": "sofalcone", "cosine_similarity": 0.5302755236625671 } }, { "source": "CID:10040286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "TC-1-tipiracil similarity", "source_label": "TC-1", "target_label": "tipiracil", "cosine_similarity": 0.2883132994174957 } }, { "source": "CID:11001318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "tafamidis-meglumine-mirtazapine similarity", "source_label": "tafamidis-meglumine", "target_label": "mirtazapine", "cosine_similarity": 0.3820212483406067 } }, { "source": "CID:2762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "cinoxacin-rimonabant similarity", "source_label": "cinoxacin", "target_label": "rimonabant", "cosine_similarity": 0.5000782012939453 } }, { "source": "CID:70680411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "AT1-SHH-29-FTI-276 similarity", "source_label": "AT1-SHH-29", "target_label": "FTI-276", "cosine_similarity": 0.3124851286411285 } }, { "source": "CID:6077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "acepromazine-Gossypetin similarity", "source_label": "acepromazine", "target_label": "Gossypetin", "cosine_similarity": 0.248428925871849 } }, { "source": "CID:4847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "pirenperone-ST-4029655 similarity", "source_label": "pirenperone", "target_label": "ST-4029655", "cosine_similarity": 0.2620468139648437 } }, { "source": "CID:171548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "biotin-lorazepam similarity", "source_label": "biotin", "target_label": "lorazepam", "cosine_similarity": 0.3070342242717743 } }, { "source": "CID:44497527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498994", "properties": { "id": "SA-96805-SA-96835 similarity", "source_label": "SA-96805", "target_label": "SA-96835", "cosine_similarity": 0.4962114691734314 } }, { "source": "CID:44607965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601475", "properties": { "id": "AMZ-30-KUC103903N similarity", "source_label": "AMZ-30", "target_label": "KUC103903N", "cosine_similarity": 0.2292963564395904 } }, { "source": "CID:54654430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "SA-1463810-inositol similarity", "source_label": "SA-1463810", "target_label": "inositol", "cosine_similarity": 0.2296852469444275 } }, { "source": "CID:5377914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "methylnorlichexanthone-LY-255283 similarity", "source_label": "methylnorlichexanthone", "target_label": "LY-255283", "cosine_similarity": 0.1913629323244094 } }, { "source": "CID:3033825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "levosimendan-actarit similarity", "source_label": "levosimendan", "target_label": "actarit", "cosine_similarity": 0.4530895054340362 } }, { "source": "CID:5641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637566", "properties": { "id": "urethane-nerol similarity", "source_label": "urethane", "target_label": "nerol", "cosine_similarity": 0.3445509672164917 } }, { "source": "CID:57242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "LY-16350-chloroquine similarity", "source_label": "LY-16350", "target_label": "chloroquine", "cosine_similarity": 0.2404352128505706 } }, { "source": "CID:7061041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657758", "properties": { "id": "ethisterone-SA-1459020 similarity", "source_label": "ethisterone", "target_label": "SA-1459020", "cosine_similarity": 0.2031017839908599 } }, { "source": "CID:7972413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "KB188-III-56-PRIMA1 similarity", "source_label": "KB188-III-56", "target_label": "PRIMA1", "cosine_similarity": 0.2952494621276855 } }, { "source": "CID:1133081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707549", "properties": { "id": "BG-1014-BG-1010 similarity", "source_label": "BG-1014", "target_label": "BG-1010", "cosine_similarity": 0.4447148740291595 } }, { "source": "CID:11957722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "terguride-NSC-23766 similarity", "source_label": "terguride", "target_label": "NSC-23766", "cosine_similarity": 0.257703572511673 } }, { "source": "CID:44494477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-243913-SA-1460008 similarity", "source_label": "SA-243913", "target_label": "SA-1460008", "cosine_similarity": 0.3639335036277771 } }, { "source": "CID:5566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134141", "properties": { "id": "trifluoperazine-fluphenazine similarity", "source_label": "trifluoperazine", "target_label": "fluphenazine", "cosine_similarity": 0.795619547367096 } }, { "source": "CID:11626560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "crizotinib-raloxifene similarity", "source_label": "crizotinib", "target_label": "raloxifene", "cosine_similarity": 0.552555501461029 } }, { "source": "CID:44623844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "KU-C104228-quercetin similarity", "source_label": "KU-C104228", "target_label": "quercetin", "cosine_similarity": 0.335074245929718 } }, { "source": "CID:44497655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843139", "properties": { "id": "SA-102676-SA-433965 similarity", "source_label": "SA-102676", "target_label": "SA-433965", "cosine_similarity": 0.2786991596221924 } }, { "source": "CID:35028748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "CAY-10585-RJC-00245SC similarity", "source_label": "CAY-10585", "target_label": "RJC-00245SC", "cosine_similarity": 0.305643618106842 } }, { "source": "CID:119607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "valdecoxib-vemurafenib similarity", "source_label": "valdecoxib", "target_label": "vemurafenib", "cosine_similarity": 0.4654134511947632 } }, { "source": "CID:44491516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-432137-SA-89763 similarity", "source_label": "SA-432137", "target_label": "SA-89763", "cosine_similarity": 0.3436929583549499 } }, { "source": "CID:387447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "bortezomib-puromycin similarity", "source_label": "bortezomib", "target_label": "puromycin", "cosine_similarity": 0.6104564666748047 } }, { "source": "CID:2688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "CGP-37157-fluoropyruvate similarity", "source_label": "CGP-37157", "target_label": "fluoropyruvate", "cosine_similarity": 0.4644333124160766 } }, { "source": "CID:24753719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010074", "properties": { "id": "PCI-34051-batimastat similarity", "source_label": "PCI-34051", "target_label": "batimastat", "cosine_similarity": 0.2337758094072342 } }, { "source": "CID:135564985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "ganetespib-NVP-AUY922 similarity", "source_label": "ganetespib", "target_label": "NVP-AUY922", "cosine_similarity": 0.8416537642478943 } }, { "source": "CID:6166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4829", "properties": { "id": "desoxycortone-pioglitazone similarity", "source_label": "desoxycortone", "target_label": "pioglitazone", "cosine_similarity": 0.2278748154640197 } }, { "source": "CID:10947895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "paroxetine-dexamethasone similarity", "source_label": "paroxetine", "target_label": "dexamethasone", "cosine_similarity": 0.4897951483726501 } }, { "source": "CID:5282381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2725417", "properties": { "id": "misoprostol-RDR-01440SC similarity", "source_label": "misoprostol", "target_label": "RDR-01440SC", "cosine_similarity": 0.2151482105255127 } }, { "source": "CID:43008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "alizapride-emedastine similarity", "source_label": "alizapride", "target_label": "emedastine", "cosine_similarity": 0.4870271980762481 } }, { "source": "CID:46742345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "VU-0418939-2-VU-0418946-1 similarity", "source_label": "VU-0418939-2", "target_label": "VU-0418946-1", "cosine_similarity": 0.8989071249961853 } }, { "source": "CID:5501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "todralazine-ozagrel similarity", "source_label": "todralazine", "target_label": "ozagrel", "cosine_similarity": 0.2440622001886367 } }, { "source": "CID:44551660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "CP-466722-oncrasin-1 similarity", "source_label": "CP-466722", "target_label": "oncrasin-1", "cosine_similarity": 0.4609674513339996 } }, { "source": "CID:3330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483329", "properties": { "id": "FCCP-malonoben similarity", "source_label": "FCCP", "target_label": "malonoben", "cosine_similarity": 0.8853251934051514 } }, { "source": "CID:3132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "thiorphan-BMS-191011 similarity", "source_label": "thiorphan", "target_label": "BMS-191011", "cosine_similarity": 0.3129646778106689 } }, { "source": "CID:54657729", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "SA-1459454-ifosfamide similarity", "source_label": "SA-1459454", "target_label": "ifosfamide", "cosine_similarity": 0.3016181886196136 } }, { "source": "CID:3392731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "GW-7647-GW-501516 similarity", "source_label": "GW-7647", "target_label": "GW-501516", "cosine_similarity": 0.28213831782341 } }, { "source": "CID:4114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4891", "properties": { "id": "methoxsalen-praziquantel similarity", "source_label": "methoxsalen", "target_label": "praziquantel", "cosine_similarity": 0.315919429063797 } }, { "source": "CID:4543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "nortriptyline-BIBU-1361 similarity", "source_label": "nortriptyline", "target_label": "BIBU-1361", "cosine_similarity": 0.43386971950531 } }, { "source": "CID:5808", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "levisoprenaline-parecoxib similarity", "source_label": "levisoprenaline", "target_label": "parecoxib", "cosine_similarity": 0.2708016633987427 } }, { "source": "CID:119584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "mosapride-L-ergothioneine similarity", "source_label": "mosapride", "target_label": "L-ergothioneine", "cosine_similarity": 0.3775314390659332 } }, { "source": "CID:6803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:689043", "properties": { "id": "tioguanine-caffeic-acid similarity", "source_label": "tioguanine", "target_label": "caffeic-acid", "cosine_similarity": 0.3501871526241302 } }, { "source": "CID:11581936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "PF-02545920-mirtazapine similarity", "source_label": "PF-02545920", "target_label": "mirtazapine", "cosine_similarity": 0.3567773699760437 } }, { "source": "CID:362328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445858", "properties": { "id": "NSC-625987-ferulic-acid similarity", "source_label": "NSC-625987", "target_label": "ferulic-acid", "cosine_similarity": 0.8364787101745605 } }, { "source": "CID:24086306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "I-070759-heliomycin similarity", "source_label": "I-070759", "target_label": "heliomycin", "cosine_similarity": 0.7022886872291565 } }, { "source": "CID:7427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "trehalose-dinoprost similarity", "source_label": "trehalose", "target_label": "dinoprost", "cosine_similarity": 0.5379785299301147 } }, { "source": "CID:2802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "clonazepam-lorazepam similarity", "source_label": "clonazepam", "target_label": "lorazepam", "cosine_similarity": 0.458522766828537 } }, { "source": "CID:9930049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "vernakalant-adenosine similarity", "source_label": "vernakalant", "target_label": "adenosine", "cosine_similarity": 0.3457561135292053 } }, { "source": "CID:439504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666869", "properties": { "id": "tylosin-SA-1920942 similarity", "source_label": "tylosin", "target_label": "SA-1920942", "cosine_similarity": 0.1895369440317154 } }, { "source": "CID:5426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "thalidomide-AR-C133057XX similarity", "source_label": "thalidomide", "target_label": "AR-C133057XX", "cosine_similarity": 0.5177562832832336 } }, { "source": "CID:447912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "T-0901317-pepstatin similarity", "source_label": "T-0901317", "target_label": "pepstatin", "cosine_similarity": 0.3085252344608307 } }, { "source": "CID:6037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "folic-acid-setiptiline similarity", "source_label": "folic-acid", "target_label": "setiptiline", "cosine_similarity": 0.4359167814254761 } }, { "source": "CID:60877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:938", "properties": { "id": "emtricitabine-niacin similarity", "source_label": "emtricitabine", "target_label": "niacin", "cosine_similarity": 0.4771684408187866 } }, { "source": "CID:208898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9818682", "properties": { "id": "dronedarone-UK-383367 similarity", "source_label": "dronedarone", "target_label": "UK-383367", "cosine_similarity": 0.44690603017807 } }, { "source": "CID:92095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "PYM-50028-diazoxide similarity", "source_label": "PYM-50028", "target_label": "diazoxide", "cosine_similarity": 0.4714179039001465 } }, { "source": "CID:119034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "asiatic-acid-tetrahydrouridine similarity", "source_label": "asiatic-acid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.5162779092788696 } }, { "source": "CID:4615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "oxatomide-cilomilast similarity", "source_label": "oxatomide", "target_label": "cilomilast", "cosine_similarity": 0.4164389371871948 } }, { "source": "CID:44489454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "SA-84902-marbofloxacin similarity", "source_label": "SA-84902", "target_label": "marbofloxacin", "cosine_similarity": 0.2485124915838241 } }, { "source": "CID:54657734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669344", "properties": { "id": "SA-1459173-SA-1919667 similarity", "source_label": "SA-1459173", "target_label": "SA-1919667", "cosine_similarity": 0.3365251421928406 } }, { "source": "CID:5281718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "polydatin-darinaparsin similarity", "source_label": "polydatin", "target_label": "darinaparsin", "cosine_similarity": 0.3562428057193756 } }, { "source": "CID:5517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282379", "properties": { "id": "tosufloxacin-isotretinoin similarity", "source_label": "tosufloxacin", "target_label": "isotretinoin", "cosine_similarity": 0.281078577041626 } }, { "source": "CID:44623834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "KU-C104219-sulforaphane similarity", "source_label": "KU-C104219", "target_label": "sulforaphane", "cosine_similarity": 0.1954134702682495 } }, { "source": "CID:53321987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "bafilomycin-trifluoperazine similarity", "source_label": "bafilomycin", "target_label": "trifluoperazine", "cosine_similarity": 0.4106015861034393 } }, { "source": "CID:2335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "benzethonium-I-505056 similarity", "source_label": "benzethonium", "target_label": "I-505056", "cosine_similarity": 0.6371539235115051 } }, { "source": "CID:44240264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "SRT-1720-clomipramine similarity", "source_label": "SRT-1720", "target_label": "clomipramine", "cosine_similarity": 0.5430564880371094 } }, { "source": "CID:5281040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4935", "properties": { "id": "montelukast-proxymetacaine similarity", "source_label": "montelukast", "target_label": "proxymetacaine", "cosine_similarity": 0.3439347743988037 } }, { "source": "CID:41693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56846693", "properties": { "id": "sufentanil-CEP-32496 similarity", "source_label": "sufentanil", "target_label": "CEP-32496", "cosine_similarity": 0.3970241546630859 } }, { "source": "CID:2921148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "BRL-50481-fasudil similarity", "source_label": "BRL-50481", "target_label": "fasudil", "cosine_similarity": 0.3419516384601593 } }, { "source": "CID:130956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11519070", "properties": { "id": "minodronic-acid-umeclidinium similarity", "source_label": "minodronic-acid", "target_label": "umeclidinium", "cosine_similarity": 0.2028272300958633 } }, { "source": "CID:23897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "molindone-LY-215490 similarity", "source_label": "molindone", "target_label": "LY-215490", "cosine_similarity": 0.4904565811157226 } }, { "source": "CID:27200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129211", "properties": { "id": "thiamphenicol-tamsulosin similarity", "source_label": "thiamphenicol", "target_label": "tamsulosin", "cosine_similarity": 0.1754342168569564 } }, { "source": "CID:11689583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "PSB-36-NTNCB similarity", "source_label": "PSB-36", "target_label": "NTNCB", "cosine_similarity": 0.3138917088508606 } }, { "source": "CID:4436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40854", "properties": { "id": "naphazoline-oxfendazole similarity", "source_label": "naphazoline", "target_label": "oxfendazole", "cosine_similarity": 0.2024817168712616 } }, { "source": "CID:54657751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-1458306-SA-1455938 similarity", "source_label": "SA-1458306", "target_label": "SA-1455938", "cosine_similarity": 0.2646157741546631 } }, { "source": "CID:443944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "metrizamide-morin similarity", "source_label": "metrizamide", "target_label": "morin", "cosine_similarity": 0.3231884241104126 } }, { "source": "CID:3034756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "formoterol-dorzolamide similarity", "source_label": "formoterol", "target_label": "dorzolamide", "cosine_similarity": 0.4359361827373504 } }, { "source": "CID:6708725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707425", "properties": { "id": "gedunin-guggulsterone similarity", "source_label": "gedunin", "target_label": "guggulsterone", "cosine_similarity": 0.342370867729187 } }, { "source": "CID:6194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "uracil-mustard-gemcitabine similarity", "source_label": "uracil-mustard", "target_label": "gemcitabine", "cosine_similarity": 0.436591625213623 } }, { "source": "CID:166558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "avasimibe-RAF-265 similarity", "source_label": "avasimibe", "target_label": "RAF-265", "cosine_similarity": 0.3834407031536102 } }, { "source": "CID:9549297", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10461815", "properties": { "id": "SU-11274-PHA-665752 similarity", "source_label": "SU-11274", "target_label": "PHA-665752", "cosine_similarity": 0.3035544753074646 } }, { "source": "CID:5281614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3080926", "properties": { "id": "fisetin-2-BFI similarity", "source_label": "fisetin", "target_label": "2-BFI", "cosine_similarity": 0.4788838922977447 } }, { "source": "CID:5440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "thiethylperazine-ARG-TC-41 similarity", "source_label": "thiethylperazine", "target_label": "ARG-TC-41", "cosine_similarity": 0.2118894606828689 } }, { "source": "CID:25181195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "PI-828-BMS-754807 similarity", "source_label": "PI-828", "target_label": "BMS-754807", "cosine_similarity": 0.6380308270454407 } }, { "source": "CID:16759369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "ZM-323881-BMS-536924 similarity", "source_label": "ZM-323881", "target_label": "BMS-536924", "cosine_similarity": 0.22845359146595 } }, { "source": "CID:3616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "hexamethylenebisacetamide-milnacipran similarity", "source_label": "hexamethylenebisacetamide", "target_label": "milnacipran", "cosine_similarity": 0.3034400343894958 } }, { "source": "CID:992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483339", "properties": { "id": "pentachlorophenol-BVT-948 similarity", "source_label": "pentachlorophenol", "target_label": "BVT-948", "cosine_similarity": 0.2522007524967193 } }, { "source": "CID:4858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:435678", "properties": { "id": "PJ-34-HLI-373 similarity", "source_label": "PJ-34", "target_label": "HLI-373", "cosine_similarity": 0.555997908115387 } }, { "source": "CID:5056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60490", "properties": { "id": "resveratrol-zileuton similarity", "source_label": "resveratrol", "target_label": "zileuton", "cosine_similarity": 0.3986481428146362 } }, { "source": "CID:5073", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "risperidone-ozagrel similarity", "source_label": "risperidone", "target_label": "ozagrel", "cosine_similarity": 0.4289266765117645 } }, { "source": "CID:10117987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "preladenant-eperezolid similarity", "source_label": "preladenant", "target_label": "eperezolid", "cosine_similarity": 0.3074907660484314 } }, { "source": "CID:4977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "proxyphylline-DMNB similarity", "source_label": "proxyphylline", "target_label": "DMNB", "cosine_similarity": 0.5204969048500061 } }, { "source": "CID:44492462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666566", "properties": { "id": "EMF-BCA1-60-SA-1922257 similarity", "source_label": "EMF-BCA1-60", "target_label": "SA-1922257", "cosine_similarity": 0.2376137524843216 } }, { "source": "CID:5265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "spiperone-thapsigargin similarity", "source_label": "spiperone", "target_label": "thapsigargin", "cosine_similarity": 0.4449664950370788 } }, { "source": "CID:2888950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "MW-A1-6-ZM-336372 similarity", "source_label": "MW-A1-6", "target_label": "ZM-336372", "cosine_similarity": 0.2400144636631012 } }, { "source": "CID:122023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "LY-255283-nadolol similarity", "source_label": "LY-255283", "target_label": "nadolol", "cosine_similarity": 0.3586992621421814 } }, { "source": "CID:11201705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "ivachtin-amifostine similarity", "source_label": "ivachtin", "target_label": "amifostine", "cosine_similarity": 0.318875253200531 } }, { "source": "CID:60186978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-1938219-SA-89763 similarity", "source_label": "SA-1938219", "target_label": "SA-89763", "cosine_similarity": 0.3435960412025451 } }, { "source": "CID:24872560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9907323", "properties": { "id": "ARN-509-cutamesine similarity", "source_label": "ARN-509", "target_label": "cutamesine", "cosine_similarity": 0.287473976612091 } }, { "source": "CID:2956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133633", "properties": { "id": "DAPT-GSI-IX-L-741626 similarity", "source_label": "DAPT-GSI-IX", "target_label": "L-741626", "cosine_similarity": 0.2734909951686859 } }, { "source": "CID:65399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "triciribine-rhodomyrtoxin-b similarity", "source_label": "triciribine", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.4605700075626373 } }, { "source": "CID:5081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "Ro-15-4513-darinaparsin similarity", "source_label": "Ro-15-4513", "target_label": "darinaparsin", "cosine_similarity": 0.3096464574337005 } }, { "source": "CID:54657753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2562", "properties": { "id": "SA-1460110-pentoxyverine similarity", "source_label": "SA-1460110", "target_label": "pentoxyverine", "cosine_similarity": 0.2454173415899276 } }, { "source": "CID:6769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9806489", "properties": { "id": "syrosingopine-ZK-164015 similarity", "source_label": "syrosingopine", "target_label": "ZK-164015", "cosine_similarity": 0.2439037561416626 } }, { "source": "CID:23418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702135", "properties": { "id": "ormetoprim-strychnine similarity", "source_label": "ormetoprim", "target_label": "strychnine", "cosine_similarity": 0.2235182672739029 } }, { "source": "CID:71015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707617", "properties": { "id": "n-methylphenothiazine-glutamyldopamine similarity", "source_label": "n-methylphenothiazine", "target_label": "glutamyldopamine", "cosine_similarity": 0.2267341315746307 } }, { "source": "CID:5325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6082", "properties": { "id": "sulfamerazine-methoxamine similarity", "source_label": "sulfamerazine", "target_label": "methoxamine", "cosine_similarity": 0.2158863693475723 } }, { "source": "CID:4713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "PD-98059-Y-27632 similarity", "source_label": "PD-98059", "target_label": "Y-27632", "cosine_similarity": 0.4070885479450226 } }, { "source": "CID:5081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "Ro-15-4513-NU-1025 similarity", "source_label": "Ro-15-4513", "target_label": "NU-1025", "cosine_similarity": 0.33043372631073 } }, { "source": "CID:149784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "EHNA-methapyrilene similarity", "source_label": "EHNA", "target_label": "methapyrilene", "cosine_similarity": 0.2752259969711303 } }, { "source": "CID:133633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "L-741626-U-18666A similarity", "source_label": "L-741626", "target_label": "U-18666A", "cosine_similarity": 0.4744499921798706 } }, { "source": "CID:4210951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "SB-415286-SB-216763 similarity", "source_label": "SB-415286", "target_label": "SB-216763", "cosine_similarity": 0.3950320780277252 } }, { "source": "CID:4976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "protriptyline-RS-39604 similarity", "source_label": "protriptyline", "target_label": "RS-39604", "cosine_similarity": 0.4224782884120941 } }, { "source": "CID:10404245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "macelignan-cercosporin similarity", "source_label": "macelignan", "target_label": "cercosporin", "cosine_similarity": 0.4465465545654297 } }, { "source": "CID:9865515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "mocetinostat-tacedinaline similarity", "source_label": "mocetinostat", "target_label": "tacedinaline", "cosine_similarity": 0.8460110425949097 } }, { "source": "CID:44505239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60189692", "properties": { "id": "SA-419021-SA-1938740 similarity", "source_label": "SA-419021", "target_label": "SA-1938740", "cosine_similarity": 0.296291708946228 } }, { "source": "CID:5401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "terazosin-FTI-276 similarity", "source_label": "terazosin", "target_label": "FTI-276", "cosine_similarity": 0.3545787334442138 } }, { "source": "CID:2787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "clinofibrate-Y-27632 similarity", "source_label": "clinofibrate", "target_label": "Y-27632", "cosine_similarity": 0.2579768896102905 } }, { "source": "CID:73707525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "COL-3-AG-879 similarity", "source_label": "COL-3", "target_label": "AG-879", "cosine_similarity": 0.6636661291122437 } }, { "source": "CID:650919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "ST-4049616-phenothiazine similarity", "source_label": "ST-4049616", "target_label": "phenothiazine", "cosine_similarity": 0.3320265710353851 } }, { "source": "CID:5280804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2446", "properties": { "id": "isoquercetin-bromopride similarity", "source_label": "isoquercetin", "target_label": "bromopride", "cosine_similarity": 0.2472069263458252 } }, { "source": "CID:9826308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "GW-843682X-D-64131 similarity", "source_label": "GW-843682X", "target_label": "D-64131", "cosine_similarity": 0.5972288250923157 } }, { "source": "CID:16363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836020", "properties": { "id": "benperidol-birinapant similarity", "source_label": "benperidol", "target_label": "birinapant", "cosine_similarity": 0.2241289615631103 } }, { "source": "CID:73707394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "SA-1447005-NSC-632839 similarity", "source_label": "SA-1447005", "target_label": "NSC-632839", "cosine_similarity": 0.803807258605957 } }, { "source": "CID:49846579", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "GDC-0199-nelfinavir similarity", "source_label": "GDC-0199", "target_label": "nelfinavir", "cosine_similarity": 0.6308053135871887 } }, { "source": "CID:46742345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "VU-0418939-2-VU-0418933-1 similarity", "source_label": "VU-0418939-2", "target_label": "VU-0418933-1", "cosine_similarity": 0.8389189839363098 } }, { "source": "CID:659031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "EMF-sumo1-11-F-1566-0341 similarity", "source_label": "EMF-sumo1-11", "target_label": "F-1566-0341", "cosine_similarity": 0.7614037990570068 } }, { "source": "CID:54615019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507283", "properties": { "id": "SA-424827-SA-247592 similarity", "source_label": "SA-424827", "target_label": "SA-247592", "cosine_similarity": 0.3644101321697235 } }, { "source": "CID:72703790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "EGF-816-vandetanib similarity", "source_label": "EGF-816", "target_label": "vandetanib", "cosine_similarity": 0.3899367451667785 } }, { "source": "CID:11351968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280378", "properties": { "id": "A-740003-formononetin similarity", "source_label": "A-740003", "target_label": "formononetin", "cosine_similarity": 0.2437568604946136 } }, { "source": "CID:23649154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "tegobuvir-diphenidol similarity", "source_label": "tegobuvir", "target_label": "diphenidol", "cosine_similarity": 0.3530881106853485 } }, { "source": "CID:20635522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11467730", "properties": { "id": "KIN001-127-BMS-509744 similarity", "source_label": "KIN001-127", "target_label": "BMS-509744", "cosine_similarity": 0.3803445100784302 } }, { "source": "CID:3081027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281607", "properties": { "id": "OCO-1112-chrysin similarity", "source_label": "OCO-1112", "target_label": "chrysin", "cosine_similarity": 0.3790541887283325 } }, { "source": "CID:27648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "iocetamic-acid-alosetron similarity", "source_label": "iocetamic-acid", "target_label": "alosetron", "cosine_similarity": 0.2736851871013641 } }, { "source": "CID:6520352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "K-9944-NSC-632839 similarity", "source_label": "K-9944", "target_label": "NSC-632839", "cosine_similarity": 0.5618976354598999 } }, { "source": "CID:10275777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3969", "properties": { "id": "betrixaban-tomelukast similarity", "source_label": "betrixaban", "target_label": "tomelukast", "cosine_similarity": 0.3740469217300415 } }, { "source": "CID:5564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33887", "properties": { "id": "triclosan-almitrine similarity", "source_label": "triclosan", "target_label": "almitrine", "cosine_similarity": 0.4520643949508667 } }, { "source": "CID:4886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "pramocaine-pridinol similarity", "source_label": "pramocaine", "target_label": "pridinol", "cosine_similarity": 0.3417721092700958 } }, { "source": "CID:54654430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25226117", "properties": { "id": "SA-1463810-HG-5-88-01 similarity", "source_label": "SA-1463810", "target_label": "HG-5-88-01", "cosine_similarity": 0.2806433141231537 } }, { "source": "CID:72093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71157", "properties": { "id": "otilonium-nefiracetam similarity", "source_label": "otilonium", "target_label": "nefiracetam", "cosine_similarity": 0.3618642389774322 } }, { "source": "CID:10026128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "WAY-362450-swainsonine similarity", "source_label": "WAY-362450", "target_label": "swainsonine", "cosine_similarity": 0.272407591342926 } }, { "source": "CID:5702090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "naloxone-FTI-276 similarity", "source_label": "naloxone", "target_label": "FTI-276", "cosine_similarity": 0.416485071182251 } }, { "source": "CID:22094944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "dinorcitalopram-oxalate-L-ergothioneine similarity", "source_label": "dinorcitalopram-oxalate", "target_label": "L-ergothioneine", "cosine_similarity": 0.2875143587589264 } }, { "source": "CID:5175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3488", "properties": { "id": "SC-10-glibenclamide similarity", "source_label": "SC-10", "target_label": "glibenclamide", "cosine_similarity": 0.2679048478603363 } }, { "source": "CID:44631784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "VU-0410183-2-VU-0418946-1 similarity", "source_label": "VU-0410183-2", "target_label": "VU-0418946-1", "cosine_similarity": 0.9161846041679382 } }, { "source": "CID:60910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "mifobate-probucol similarity", "source_label": "mifobate", "target_label": "probucol", "cosine_similarity": 0.4624807238578796 } }, { "source": "CID:26987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "clemastine-CAM-9-027-3 similarity", "source_label": "clemastine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.5782662034034729 } }, { "source": "CID:4183496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "EMF-bca1-16-K784-3187 similarity", "source_label": "EMF-bca1-16", "target_label": "K784-3187", "cosine_similarity": 0.784515917301178 } }, { "source": "CID:114811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5606", "properties": { "id": "florfenicol-tulobuterol similarity", "source_label": "florfenicol", "target_label": "tulobuterol", "cosine_similarity": 0.2305404394865036 } }, { "source": "CID:34359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6560153", "properties": { "id": "carbidopa-penicillin similarity", "source_label": "carbidopa", "target_label": "penicillin", "cosine_similarity": 0.2498393505811691 } }, { "source": "CID:22152353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "ORG-9768-vinburnine similarity", "source_label": "ORG-9768", "target_label": "vinburnine", "cosine_similarity": 0.4480423629283905 } }, { "source": "CID:24086306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "I-070759-bithionol similarity", "source_label": "I-070759", "target_label": "bithionol", "cosine_similarity": 0.6868432760238647 } }, { "source": "CID:4780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "1-phenylbiguanide-piperacillin similarity", "source_label": "1-phenylbiguanide", "target_label": "piperacillin", "cosine_similarity": 0.2741753160953522 } }, { "source": "CID:6445540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009963", "properties": { "id": "ixabepilone-cabazitaxel similarity", "source_label": "ixabepilone", "target_label": "cabazitaxel", "cosine_similarity": 0.8872970342636108 } }, { "source": "CID:9903786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "TPCA-1-RAF-265 similarity", "source_label": "TPCA-1", "target_label": "RAF-265", "cosine_similarity": 0.6139608025550842 } }, { "source": "CID:11054313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "KU-C103867-cerulenin similarity", "source_label": "KU-C103867", "target_label": "cerulenin", "cosine_similarity": 0.4128439426422119 } }, { "source": "CID:44505479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1853", "properties": { "id": "SA-419010-phenanthridone similarity", "source_label": "SA-419010", "target_label": "phenanthridone", "cosine_similarity": 0.3392266631126404 } }, { "source": "CID:60838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "irinotecan-amsacrine similarity", "source_label": "irinotecan", "target_label": "amsacrine", "cosine_similarity": 0.8042207956314087 } }, { "source": "CID:101533602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5576", "properties": { "id": "merbromin-trimethadione similarity", "source_label": "merbromin", "target_label": "trimethadione", "cosine_similarity": 0.213408961892128 } }, { "source": "CID:9838712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "reparixin-GSK-J1 similarity", "source_label": "reparixin", "target_label": "GSK-J1", "cosine_similarity": 0.3156839609146118 } }, { "source": "CID:70311789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10461508", "properties": { "id": "LGX-818-volasertib similarity", "source_label": "LGX-818", "target_label": "volasertib", "cosine_similarity": 0.5165534019470215 } }, { "source": "CID:119373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "elacridar-cabergoline similarity", "source_label": "elacridar", "target_label": "cabergoline", "cosine_similarity": 0.3136862516403198 } }, { "source": "CID:44601455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "WT-171-ISOX similarity", "source_label": "WT-171", "target_label": "ISOX", "cosine_similarity": 0.7772331237792969 } }, { "source": "CID:4923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10052040", "properties": { "id": "proguanil-CP-945598 similarity", "source_label": "proguanil", "target_label": "CP-945598", "cosine_similarity": 0.2906343638896942 } }, { "source": "CID:43008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "alizapride-SR-33805 similarity", "source_label": "alizapride", "target_label": "SR-33805", "cosine_similarity": 0.4902430772781372 } }, { "source": "CID:26937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281792", "properties": { "id": "clobutinol-rosmarinic-acid similarity", "source_label": "clobutinol", "target_label": "rosmarinic-acid", "cosine_similarity": 0.2226364910602569 } }, { "source": "CID:3423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1935", "properties": { "id": "FPL-64176-tacrine similarity", "source_label": "FPL-64176", "target_label": "tacrine", "cosine_similarity": 0.3284507989883423 } }, { "source": "CID:42611257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "vemurafenib-dabrafenib similarity", "source_label": "vemurafenib", "target_label": "dabrafenib", "cosine_similarity": 0.7255774140357971 } }, { "source": "CID:178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "acetamide-polydatin similarity", "source_label": "acetamide", "target_label": "polydatin", "cosine_similarity": 0.3060197532176971 } }, { "source": "CID:691928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "ST-4029655-MW-MITF9 similarity", "source_label": "ST-4029655", "target_label": "MW-MITF9", "cosine_similarity": 0.3079306483268738 } }, { "source": "CID:3682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108094", "properties": { "id": "ICI-118551-RX-821002 similarity", "source_label": "ICI-118551", "target_label": "RX-821002", "cosine_similarity": 0.2405293434858322 } }, { "source": "CID:2725417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49871818", "properties": { "id": "RDR-01440SC-JQ-1-R similarity", "source_label": "RDR-01440SC", "target_label": "JQ-1-R", "cosine_similarity": 0.2521177232265472 } }, { "source": "CID:8982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "nafcillin-NU-1025 similarity", "source_label": "nafcillin", "target_label": "NU-1025", "cosine_similarity": 0.3348579704761505 } }, { "source": "CID:44616599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-427636-SA-419010 similarity", "source_label": "SA-427636", "target_label": "SA-419010", "cosine_similarity": 0.3172273337841034 } }, { "source": "CID:155774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "xamoterol-cefoxitin similarity", "source_label": "xamoterol", "target_label": "cefoxitin", "cosine_similarity": 0.2113139182329177 } }, { "source": "CID:3721046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4991", "properties": { "id": "CNQX-mestinon similarity", "source_label": "CNQX", "target_label": "mestinon", "cosine_similarity": 0.3126920461654663 } }, { "source": "CID:44607586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "KU-C104135-linifanib similarity", "source_label": "KU-C104135", "target_label": "linifanib", "cosine_similarity": 0.2814079523086548 } }, { "source": "CID:4296", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "TFMPP-darinaparsin similarity", "source_label": "TFMPP", "target_label": "darinaparsin", "cosine_similarity": 0.2223219573497772 } }, { "source": "CID:44493156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-83851-SA-441181 similarity", "source_label": "SA-83851", "target_label": "SA-441181", "cosine_similarity": 0.2411757707595825 } }, { "source": "CID:3472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "gimeracil-SB-683698 similarity", "source_label": "gimeracil", "target_label": "SB-683698", "cosine_similarity": 0.5362915992736816 } }, { "source": "CID:44182295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "refametinib-MEK-162 similarity", "source_label": "refametinib", "target_label": "MEK-162", "cosine_similarity": 0.7350967526435852 } }, { "source": "CID:44907124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610268", "properties": { "id": "VU-0413247-1-berbamine similarity", "source_label": "VU-0413247-1", "target_label": "berbamine", "cosine_similarity": 0.2441881448030471 } }, { "source": "CID:2728620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "RJC-00245SC-KM-03949SC similarity", "source_label": "RJC-00245SC", "target_label": "KM-03949SC", "cosine_similarity": 0.69281005859375 } }, { "source": "CID:54685215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "IOX2-Y-27632 similarity", "source_label": "IOX2", "target_label": "Y-27632", "cosine_similarity": 0.3864482641220093 } }, { "source": "CID:44208964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11617559", "properties": { "id": "SDZ-NKT-343-GW-2580 similarity", "source_label": "SDZ-NKT-343", "target_label": "GW-2580", "cosine_similarity": 0.2430672198534011 } }, { "source": "CID:11326715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "ostarine-imiloxan similarity", "source_label": "ostarine", "target_label": "imiloxan", "cosine_similarity": 0.4575627446174621 } }, { "source": "CID:56962336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "EPZ-004777-KIN001-055 similarity", "source_label": "EPZ-004777", "target_label": "KIN001-055", "cosine_similarity": 0.3469871580600738 } }, { "source": "CID:5215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "sulfadiazine-pipenzolate similarity", "source_label": "sulfadiazine", "target_label": "pipenzolate", "cosine_similarity": 0.2647321224212646 } }, { "source": "CID:11560787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135564558", "properties": { "id": "E-2012-PF-04447943 similarity", "source_label": "E-2012", "target_label": "PF-04447943", "cosine_similarity": 0.364806592464447 } }, { "source": "CID:26879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "levamisole-saxagliptin similarity", "source_label": "levamisole", "target_label": "saxagliptin", "cosine_similarity": 0.4512034952640533 } }, { "source": "CID:9863367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "SB-242235-adenosine similarity", "source_label": "SB-242235", "target_label": "adenosine", "cosine_similarity": 0.3572553396224975 } }, { "source": "CID:224246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "isoflupredone-acetate-methylprednisolone similarity", "source_label": "isoflupredone-acetate", "target_label": "methylprednisolone", "cosine_similarity": 0.3418294787406921 } }, { "source": "CID:10621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "hesperidin-metamizole similarity", "source_label": "hesperidin", "target_label": "metamizole", "cosine_similarity": 0.3562335669994354 } }, { "source": "CID:53347979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "BG-STK33-03-MW-STK33-2B similarity", "source_label": "BG-STK33-03", "target_label": "MW-STK33-2B", "cosine_similarity": 0.8056092858314514 } }, { "source": "CID:5353685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "I-OMe-AG-538-GSK-429286A similarity", "source_label": "I-OMe-AG-538", "target_label": "GSK-429286A", "cosine_similarity": 0.2532748281955719 } }, { "source": "CID:2343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "benzthiazide-myricetin similarity", "source_label": "benzthiazide", "target_label": "myricetin", "cosine_similarity": 0.3118277788162231 } }, { "source": "CID:5311304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34633", "properties": { "id": "nalbuphine-moracizine similarity", "source_label": "nalbuphine", "target_label": "moracizine", "cosine_similarity": 0.3383600115776062 } }, { "source": "CID:5311047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "cisapride-adenosine similarity", "source_label": "cisapride", "target_label": "adenosine", "cosine_similarity": 0.4101972877979278 } }, { "source": "CID:54746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "cabergoline-clofibric-acid similarity", "source_label": "cabergoline", "target_label": "clofibric-acid", "cosine_similarity": 0.504834771156311 } }, { "source": "CID:4713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "PD-98059-selumetinib similarity", "source_label": "PD-98059", "target_label": "selumetinib", "cosine_similarity": 0.4754303395748138 } }, { "source": "CID:60648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "tiagabine-actarit similarity", "source_label": "tiagabine", "target_label": "actarit", "cosine_similarity": 0.3858281075954437 } }, { "source": "CID:24989044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56649450", "properties": { "id": "copanlisib-alpelisib similarity", "source_label": "copanlisib", "target_label": "alpelisib", "cosine_similarity": 0.3513670563697815 } }, { "source": "CID:5788723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26987", "properties": { "id": "GBR-12783-clemastine similarity", "source_label": "GBR-12783", "target_label": "clemastine", "cosine_similarity": 0.3436971604824066 } }, { "source": "CID:3316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "exalamide-dapivirine similarity", "source_label": "exalamide", "target_label": "dapivirine", "cosine_similarity": 0.3636772036552429 } }, { "source": "CID:54676535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "scandenin-phenylbutyrate similarity", "source_label": "scandenin", "target_label": "phenylbutyrate", "cosine_similarity": 0.2018524408340454 } }, { "source": "CID:59239165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "GDC-0349-MLN-0128 similarity", "source_label": "GDC-0349", "target_label": "MLN-0128", "cosine_similarity": 0.8018150329589844 } }, { "source": "CID:5983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "physostigmine-aclidinium similarity", "source_label": "physostigmine", "target_label": "aclidinium", "cosine_similarity": 0.3662954270839691 } }, { "source": "CID:6915744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "roxithromycin-GDC-0199 similarity", "source_label": "roxithromycin", "target_label": "GDC-0199", "cosine_similarity": 0.3623038530349731 } }, { "source": "CID:3360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "floctafenine-oleoylethanolamide similarity", "source_label": "floctafenine", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2048325985670089 } }, { "source": "CID:122162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "luzindole-RG-108 similarity", "source_label": "luzindole", "target_label": "RG-108", "cosine_similarity": 0.2695944905281067 } }, { "source": "CID:3114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "disopyramide-topiramate similarity", "source_label": "disopyramide", "target_label": "topiramate", "cosine_similarity": 0.5551354885101318 } }, { "source": "CID:151075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "nepafenac-nateglinide similarity", "source_label": "nepafenac", "target_label": "nateglinide", "cosine_similarity": 0.4005071520805359 } }, { "source": "CID:125017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10235", "properties": { "id": "desvenlafaxine-cytisine similarity", "source_label": "desvenlafaxine", "target_label": "cytisine", "cosine_similarity": 0.2549527883529663 } }, { "source": "CID:216468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "indisulam-tanespimycin similarity", "source_label": "indisulam", "target_label": "tanespimycin", "cosine_similarity": 0.2174084037542343 } }, { "source": "CID:156422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24880028", "properties": { "id": "doramapimod-ALW-II-38-3 similarity", "source_label": "doramapimod", "target_label": "ALW-II-38-3", "cosine_similarity": 0.4200459718704223 } }, { "source": "CID:6918097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "dexniguldipine-carglumic-acid similarity", "source_label": "dexniguldipine", "target_label": "carglumic-acid", "cosine_similarity": 0.3309399783611297 } }, { "source": "CID:4423427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:361510", "properties": { "id": "ST-019366-emodic-acid similarity", "source_label": "ST-019366", "target_label": "emodic-acid", "cosine_similarity": 0.185353472828865 } }, { "source": "CID:12540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15096", "properties": { "id": "triphenyl-tin-tributyltin similarity", "source_label": "triphenyl-tin", "target_label": "tributyltin", "cosine_similarity": 0.3601711988449096 } }, { "source": "CID:1355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3957", "properties": { "id": "mCPP-loratadine similarity", "source_label": "mCPP", "target_label": "loratadine", "cosine_similarity": 0.4238516986370086 } }, { "source": "CID:4950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "propylthiouracil-LGK-974 similarity", "source_label": "propylthiouracil", "target_label": "LGK-974", "cosine_similarity": 0.4350557029247284 } }, { "source": "CID:5281365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1853", "properties": { "id": "geranylgeraniol-phenanthridone similarity", "source_label": "geranylgeraniol", "target_label": "phenanthridone", "cosine_similarity": 0.2544874548912048 } }, { "source": "CID:2208391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "BJM-HSC2-10-piperacillin similarity", "source_label": "BJM-HSC2-10", "target_label": "piperacillin", "cosine_similarity": 0.3475681841373443 } }, { "source": "CID:5626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "U-99194-ASN-05257430 similarity", "source_label": "U-99194", "target_label": "ASN-05257430", "cosine_similarity": 0.2948172390460968 } }, { "source": "CID:4006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561383", "properties": { "id": "malotilate-nesbuvir similarity", "source_label": "malotilate", "target_label": "nesbuvir", "cosine_similarity": 0.4981499016284942 } }, { "source": "CID:24995524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44219749", "properties": { "id": "SNS-314-WYE-354 similarity", "source_label": "SNS-314", "target_label": "WYE-354", "cosine_similarity": 0.2534132599830627 } }, { "source": "CID:44665680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "KU-C104502N-fumonisin-b1 similarity", "source_label": "KU-C104502N", "target_label": "fumonisin-b1", "cosine_similarity": 0.2749381959438324 } }, { "source": "CID:46215462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "R-428-CAY-10594 similarity", "source_label": "R-428", "target_label": "CAY-10594", "cosine_similarity": 0.4940305054187774 } }, { "source": "CID:4396344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4567", "properties": { "id": "5'-guanidinonaltrindole-buphenine similarity", "source_label": "5'-guanidinonaltrindole", "target_label": "buphenine", "cosine_similarity": 0.251292884349823 } }, { "source": "CID:5369716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "verrucarin-a-anisomycin similarity", "source_label": "verrucarin-a", "target_label": "anisomycin", "cosine_similarity": 0.7970592379570007 } }, { "source": "CID:5353623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "farnesylthioacetic-acid-Gossypetin similarity", "source_label": "farnesylthioacetic-acid", "target_label": "Gossypetin", "cosine_similarity": 0.254543125629425 } }, { "source": "CID:66377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676038", "properties": { "id": "edoxudine-dicoumarol similarity", "source_label": "edoxudine", "target_label": "dicoumarol", "cosine_similarity": 0.271599143743515 } }, { "source": "CID:6726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561383", "properties": { "id": "cyclizine-nesbuvir similarity", "source_label": "cyclizine", "target_label": "nesbuvir", "cosine_similarity": 0.5069957375526428 } }, { "source": "CID:4299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "W-13-PIK-90 similarity", "source_label": "W-13", "target_label": "PIK-90", "cosine_similarity": 0.2314844131469726 } }, { "source": "CID:11210285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280360", "properties": { "id": "BML-284-dinoprostone similarity", "source_label": "BML-284", "target_label": "dinoprostone", "cosine_similarity": 0.471893161535263 } }, { "source": "CID:11395181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "NCH-51-scriptaid similarity", "source_label": "NCH-51", "target_label": "scriptaid", "cosine_similarity": 0.8294287323951721 } }, { "source": "CID:44246715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71777", "properties": { "id": "metacycline-lufenuron similarity", "source_label": "metacycline", "target_label": "lufenuron", "cosine_similarity": 0.2956223785877228 } }, { "source": "CID:20345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "kinetin-riboside-NSC-3852 similarity", "source_label": "kinetin-riboside", "target_label": "NSC-3852", "cosine_similarity": 0.4767362773418426 } }, { "source": "CID:72344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11612883", "properties": { "id": "nobiletin-PF-573228 similarity", "source_label": "nobiletin", "target_label": "PF-573228", "cosine_similarity": 0.2089512050151825 } }, { "source": "CID:68802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "pirlindole-lomerizine similarity", "source_label": "pirlindole", "target_label": "lomerizine", "cosine_similarity": 0.2408148050308227 } }, { "source": "CID:71234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "nicaraven-levamisole similarity", "source_label": "nicaraven", "target_label": "levamisole", "cosine_similarity": 0.3762303590774536 } }, { "source": "CID:6610300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "dichlorobenzamil-RS-17053 similarity", "source_label": "dichlorobenzamil", "target_label": "RS-17053", "cosine_similarity": 0.6848946809768677 } }, { "source": "CID:6604200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40486", "properties": { "id": "nitrofurantoin-A-23187 similarity", "source_label": "nitrofurantoin", "target_label": "A-23187", "cosine_similarity": 0.2813545167446136 } }, { "source": "CID:71777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "lufenuron-phenacemide similarity", "source_label": "lufenuron", "target_label": "phenacemide", "cosine_similarity": 0.5304818153381348 } }, { "source": "CID:46902718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "KUC105208-TUL_XIX003 similarity", "source_label": "KUC105208", "target_label": "TUL_XIX003", "cosine_similarity": 0.2636479437351227 } }, { "source": "CID:2853908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "SA-3676-cercosporin similarity", "source_label": "SA-3676", "target_label": "cercosporin", "cosine_similarity": 0.5053750276565552 } }, { "source": "CID:4878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "PP-2-BMS-754807 similarity", "source_label": "PP-2", "target_label": "BMS-754807", "cosine_similarity": 0.7093416452407837 } }, { "source": "CID:5702199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "antimycin-a-ZM-336372 similarity", "source_label": "antimycin-a", "target_label": "ZM-336372", "cosine_similarity": 0.3171760141849518 } }, { "source": "CID:44631784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "VU-0410183-2-VU-0418933-1 similarity", "source_label": "VU-0410183-2", "target_label": "VU-0418933-1", "cosine_similarity": 0.8776845335960388 } }, { "source": "CID:208902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708742", "properties": { "id": "ramelteon-inosine similarity", "source_label": "ramelteon", "target_label": "inosine", "cosine_similarity": 0.374037891626358 } }, { "source": "CID:64715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282451", "properties": { "id": "mevastatin-pitavastatin similarity", "source_label": "mevastatin", "target_label": "pitavastatin", "cosine_similarity": 0.4692040979862213 } }, { "source": "CID:9848818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4595", "properties": { "id": "ursodeoxycholyltaurine-ondansetron similarity", "source_label": "ursodeoxycholyltaurine", "target_label": "ondansetron", "cosine_similarity": 0.2785424888134002 } }, { "source": "CID:46843648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "NPK76-II-72-1-imiloxan similarity", "source_label": "NPK76-II-72-1", "target_label": "imiloxan", "cosine_similarity": 0.4198543429374695 } }, { "source": "CID:119461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "AH-6809-L-citrulline similarity", "source_label": "AH-6809", "target_label": "L-citrulline", "cosine_similarity": 0.1652797311544418 } }, { "source": "CID:5901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281078", "properties": { "id": "azauridine-mycophenolate-mofetil similarity", "source_label": "azauridine", "target_label": "mycophenolate-mofetil", "cosine_similarity": 0.2538372576236725 } }, { "source": "CID:3005573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "toremifene-atorvastatin similarity", "source_label": "toremifene", "target_label": "atorvastatin", "cosine_similarity": 0.4257892072200775 } }, { "source": "CID:441130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "meropenem-SB-203580 similarity", "source_label": "meropenem", "target_label": "SB-203580", "cosine_similarity": 0.3205905258655548 } }, { "source": "CID:441130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259137", "properties": { "id": "meropenem-VU-0415011 similarity", "source_label": "meropenem", "target_label": "VU-0415011", "cosine_similarity": 0.281769335269928 } }, { "source": "CID:5281691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "rhamnetin-MW-MITF24 similarity", "source_label": "rhamnetin", "target_label": "MW-MITF24", "cosine_similarity": 0.2971989214420318 } }, { "source": "CID:481747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707348", "properties": { "id": "ryuvidine-anthothecol similarity", "source_label": "ryuvidine", "target_label": "anthothecol", "cosine_similarity": 0.5332971215248108 } }, { "source": "CID:9547215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "bufalin-proscillaridin similarity", "source_label": "bufalin", "target_label": "proscillaridin", "cosine_similarity": 0.8658344745635986 } }, { "source": "CID:2540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "candesartan-cilextil-AC-55649 similarity", "source_label": "candesartan-cilextil", "target_label": "AC-55649", "cosine_similarity": 0.2463537603616714 } }, { "source": "CID:5282339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "CGH-2466-CV-1808 similarity", "source_label": "CGH-2466", "target_label": "CV-1808", "cosine_similarity": 0.2792815268039703 } }, { "source": "CID:2583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "carteolol-naloxone similarity", "source_label": "carteolol", "target_label": "naloxone", "cosine_similarity": 0.2773299515247345 } }, { "source": "CID:2286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "BADGE-7b-cis similarity", "source_label": "BADGE", "target_label": "7b-cis", "cosine_similarity": 0.6839708685874939 } }, { "source": "CID:54658318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-1457188-SA-427604 similarity", "source_label": "SA-1457188", "target_label": "SA-427604", "cosine_similarity": 0.3864119946956634 } }, { "source": "CID:100016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "zebularine-PT-630 similarity", "source_label": "zebularine", "target_label": "PT-630", "cosine_similarity": 0.5610138177871704 } }, { "source": "CID:8616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "peucedanin-pepstatin similarity", "source_label": "peucedanin", "target_label": "pepstatin", "cosine_similarity": 0.3628182709217071 } }, { "source": "CID:33887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "almitrine-navitoclax similarity", "source_label": "almitrine", "target_label": "navitoclax", "cosine_similarity": 0.4147646725177765 } }, { "source": "CID:72016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6738", "properties": { "id": "efaroxan-hydroxytoluic-acid similarity", "source_label": "efaroxan", "target_label": "hydroxytoluic-acid", "cosine_similarity": 0.340433657169342 } }, { "source": "CID:3446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4170", "properties": { "id": "gabapentin-metolazone similarity", "source_label": "gabapentin", "target_label": "metolazone", "cosine_similarity": 0.2731709778308868 } }, { "source": "CID:8609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "phenyl-aminosalicylate-butylated-hydroxytoluene similarity", "source_label": "phenyl-aminosalicylate", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.4827158749103546 } }, { "source": "CID:44241483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "VU-0403126-palmatine-chloride similarity", "source_label": "VU-0403126", "target_label": "palmatine-chloride", "cosine_similarity": 0.275607168674469 } }, { "source": "CID:54658771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-1459430-SA-1919248 similarity", "source_label": "SA-1459430", "target_label": "SA-1919248", "cosine_similarity": 0.2621302008628845 } }, { "source": "CID:3953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60490", "properties": { "id": "lonidamine-zileuton similarity", "source_label": "lonidamine", "target_label": "zileuton", "cosine_similarity": 0.3289219439029693 } }, { "source": "CID:6433118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3448", "properties": { "id": "lirimilast-gaboxadol similarity", "source_label": "lirimilast", "target_label": "gaboxadol", "cosine_similarity": 0.4209120273590088 } }, { "source": "CID:47528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "nicorandil-vecuronium similarity", "source_label": "nicorandil", "target_label": "vecuronium", "cosine_similarity": 0.2403958588838577 } }, { "source": "CID:73707549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7791937", "properties": { "id": "BG-1010-BG-1022 similarity", "source_label": "BG-1010", "target_label": "BG-1022", "cosine_similarity": 0.4488844275474548 } }, { "source": "CID:60648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "tiagabine-CV-1808 similarity", "source_label": "tiagabine", "target_label": "CV-1808", "cosine_similarity": 0.4094391167163849 } }, { "source": "CID:54454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "simvastatin-atorvastatin similarity", "source_label": "simvastatin", "target_label": "atorvastatin", "cosine_similarity": 0.6439570784568787 } }, { "source": "CID:6760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "skimmianine-coumarin similarity", "source_label": "skimmianine", "target_label": "coumarin", "cosine_similarity": 0.2654177844524383 } }, { "source": "CID:4031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "mebeverine-atorvastatin similarity", "source_label": "mebeverine", "target_label": "atorvastatin", "cosine_similarity": 0.3264923095703125 } }, { "source": "CID:11712649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "MLN-8054-paclitaxel similarity", "source_label": "MLN-8054", "target_label": "paclitaxel", "cosine_similarity": 0.5434477925300598 } }, { "source": "CID:60703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:162834", "properties": { "id": "eliprodil-fenobam similarity", "source_label": "eliprodil", "target_label": "fenobam", "cosine_similarity": 0.2350228279829025 } }, { "source": "CID:5353853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "oxiconazole-losmapimod similarity", "source_label": "oxiconazole", "target_label": "losmapimod", "cosine_similarity": 0.4899758994579315 } }, { "source": "CID:343083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "cuneatin-PT-630 similarity", "source_label": "cuneatin", "target_label": "PT-630", "cosine_similarity": 0.2741591036319732 } }, { "source": "CID:17755052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25033539", "properties": { "id": "GDC-0941-PF-04691502 similarity", "source_label": "GDC-0941", "target_label": "PF-04691502", "cosine_similarity": 0.693322479724884 } }, { "source": "CID:6337614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "palonosetron-ipratropium similarity", "source_label": "palonosetron", "target_label": "ipratropium", "cosine_similarity": 0.3311377763748169 } }, { "source": "CID:73707364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707436", "properties": { "id": "I-212148-YL-52 similarity", "source_label": "I-212148", "target_label": "YL-52", "cosine_similarity": 0.2677273154258728 } }, { "source": "CID:3386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10947895", "properties": { "id": "fluoxetine-paroxetine similarity", "source_label": "fluoxetine", "target_label": "paroxetine", "cosine_similarity": 0.5096659660339355 } }, { "source": "CID:5284585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:658169", "properties": { "id": "loracarbef-ST-4028268 similarity", "source_label": "loracarbef", "target_label": "ST-4028268", "cosine_similarity": 0.2719645500183105 } }, { "source": "CID:127404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "isamoltane-Gossypetin similarity", "source_label": "isamoltane", "target_label": "Gossypetin", "cosine_similarity": 0.2631518542766571 } }, { "source": "CID:7972413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "KB188-III-56-orciprenaline similarity", "source_label": "KB188-III-56", "target_label": "orciprenaline", "cosine_similarity": 0.3112323582172394 } }, { "source": "CID:73453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "ergocornine-AICA-ribonucleotide similarity", "source_label": "ergocornine", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2354447245597839 } }, { "source": "CID:264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "sodium-butyrate-mirtazapine similarity", "source_label": "sodium-butyrate", "target_label": "mirtazapine", "cosine_similarity": 0.2361250072717666 } }, { "source": "CID:51348735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287620", "properties": { "id": "hyperforin-brefeldin-a similarity", "source_label": "hyperforin", "target_label": "brefeldin-a", "cosine_similarity": 0.5199846625328064 } }, { "source": "CID:52914932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "SAR-245408-GW-5074 similarity", "source_label": "SAR-245408", "target_label": "GW-5074", "cosine_similarity": 0.354787141084671 } }, { "source": "CID:9882972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "PS-178990-probucol similarity", "source_label": "PS-178990", "target_label": "probucol", "cosine_similarity": 0.368582546710968 } }, { "source": "CID:25019940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "MK-3207-imiloxan similarity", "source_label": "MK-3207", "target_label": "imiloxan", "cosine_similarity": 0.3577463328838348 } }, { "source": "CID:4855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "piromidic-acid-phenacemide similarity", "source_label": "piromidic-acid", "target_label": "phenacemide", "cosine_similarity": 0.226803719997406 } }, { "source": "CID:667477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9941444", "properties": { "id": "doxepin-pasireotide similarity", "source_label": "doxepin", "target_label": "pasireotide", "cosine_similarity": 0.2627798318862915 } }, { "source": "CID:5311304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "nalbuphine-APO-866 similarity", "source_label": "nalbuphine", "target_label": "APO-866", "cosine_similarity": 0.3532134294509887 } }, { "source": "CID:4515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "NNC-711-desoxypeganine similarity", "source_label": "NNC-711", "target_label": "desoxypeganine", "cosine_similarity": 0.3239295780658722 } }, { "source": "CID:44483977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "DM-55-3-lasalocid similarity", "source_label": "DM-55-3", "target_label": "lasalocid", "cosine_similarity": 0.5855957269668579 } }, { "source": "CID:4634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5190", "properties": { "id": "oxybutynin-DPI-201106 similarity", "source_label": "oxybutynin", "target_label": "DPI-201106", "cosine_similarity": 0.3776619434356689 } }, { "source": "CID:3478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "glipizide-lorazepam similarity", "source_label": "glipizide", "target_label": "lorazepam", "cosine_similarity": 0.4785464704036712 } }, { "source": "CID:3278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629987", "properties": { "id": "etacrynic-acid-brivudine similarity", "source_label": "etacrynic-acid", "target_label": "brivudine", "cosine_similarity": 0.2655856907367706 } }, { "source": "CID:71329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "dofetilide-camostat-mesilate similarity", "source_label": "dofetilide", "target_label": "camostat-mesilate", "cosine_similarity": 0.1966685205698013 } }, { "source": "CID:44488994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SA-89068-JAS07-006 similarity", "source_label": "SA-89068", "target_label": "JAS07-006", "cosine_similarity": 0.3673197329044342 } }, { "source": "CID:29243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "tetrahydrouridine-L-ergothioneine similarity", "source_label": "tetrahydrouridine", "target_label": "L-ergothioneine", "cosine_similarity": 0.8470227122306824 } }, { "source": "CID:2022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122335", "properties": { "id": "acyclovir-efaproxiral similarity", "source_label": "acyclovir", "target_label": "efaproxiral", "cosine_similarity": 0.4039665460586548 } }, { "source": "CID:6604889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "SB-269970-YK-4279 similarity", "source_label": "SB-269970", "target_label": "YK-4279", "cosine_similarity": 0.3374726474285126 } }, { "source": "CID:45259137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602378", "properties": { "id": "VU-0415011-KU-C104129 similarity", "source_label": "VU-0415011", "target_label": "KU-C104129", "cosine_similarity": 0.2653742432594299 } }, { "source": "CID:54367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "altanserin-flutrimazole similarity", "source_label": "altanserin", "target_label": "flutrimazole", "cosine_similarity": 0.3683443367481231 } }, { "source": "CID:46238422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "RAN-27-RS-17053 similarity", "source_label": "RAN-27", "target_label": "RS-17053", "cosine_similarity": 0.200263038277626 } }, { "source": "CID:73010930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "GSK-2801-bucladesine similarity", "source_label": "GSK-2801", "target_label": "bucladesine", "cosine_similarity": 0.3196877539157867 } }, { "source": "CID:54766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457928", "properties": { "id": "bambuterol-bevirimat-dimeglumine similarity", "source_label": "bambuterol", "target_label": "bevirimat-dimeglumine", "cosine_similarity": 0.3394653499126434 } }, { "source": "CID:4671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "palmitoylethanolamide-saxagliptin similarity", "source_label": "palmitoylethanolamide", "target_label": "saxagliptin", "cosine_similarity": 0.4110343754291534 } }, { "source": "CID:4246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "monocrotaline-lorazepam similarity", "source_label": "monocrotaline", "target_label": "lorazepam", "cosine_similarity": 0.3440561890602112 } }, { "source": "CID:9429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446916", "properties": { "id": "thioproperazine-MDL-29951 similarity", "source_label": "thioproperazine", "target_label": "MDL-29951", "cosine_similarity": 0.2336611598730087 } }, { "source": "CID:5419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "tetryzoline-TUL-XX025TFA similarity", "source_label": "tetryzoline", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3032451272010803 } }, { "source": "CID:5056826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "F-1566-0341-EMF-sumo1-11 similarity", "source_label": "F-1566-0341", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.7614037990570068 } }, { "source": "CID:9950038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4031", "properties": { "id": "SB-205607-mebeverine similarity", "source_label": "SB-205607", "target_label": "mebeverine", "cosine_similarity": 0.1911798864603042 } }, { "source": "CID:45138674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6303", "properties": { "id": "letermovir-cordycepin similarity", "source_label": "letermovir", "target_label": "cordycepin", "cosine_similarity": 0.2912252843379974 } }, { "source": "CID:46901937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "UNC-0321-Gly-Gly-PALO similarity", "source_label": "UNC-0321", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4408606588840484 } }, { "source": "CID:13782419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "PSB-069-RK-682 similarity", "source_label": "PSB-069", "target_label": "RK-682", "cosine_similarity": 0.3933903276920318 } }, { "source": "CID:24864821", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649154", "properties": { "id": "AMG-208-tegobuvir similarity", "source_label": "AMG-208", "target_label": "tegobuvir", "cosine_similarity": 0.3490181267261505 } }, { "source": "CID:23846563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "helveticoside-bufalin similarity", "source_label": "helveticoside", "target_label": "bufalin", "cosine_similarity": 0.6612935662269592 } }, { "source": "CID:135883127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10401611", "properties": { "id": "BG-1017-MC-1293 similarity", "source_label": "BG-1017", "target_label": "MC-1293", "cosine_similarity": 0.2135797142982483 } }, { "source": "CID:443155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176408", "properties": { "id": "cinchonidine-SCH-58261 similarity", "source_label": "cinchonidine", "target_label": "SCH-58261", "cosine_similarity": 0.2038145065307617 } }, { "source": "CID:4970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "protopine-ML-161 similarity", "source_label": "protopine", "target_label": "ML-161", "cosine_similarity": 0.2782706916332245 } }, { "source": "CID:119192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82148", "properties": { "id": "SR-48692-agomelatine similarity", "source_label": "SR-48692", "target_label": "agomelatine", "cosine_similarity": 0.188890129327774 } }, { "source": "CID:11243969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "saxagliptin-pritelivir similarity", "source_label": "saxagliptin", "target_label": "pritelivir", "cosine_similarity": 0.5546049475669861 } }, { "source": "CID:6769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9799509", "properties": { "id": "syrosingopine-ER-27319 similarity", "source_label": "syrosingopine", "target_label": "ER-27319", "cosine_similarity": 0.2326837182044983 } }, { "source": "CID:3760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6913176", "properties": { "id": "isoconazole-NXY-059 similarity", "source_label": "isoconazole", "target_label": "NXY-059", "cosine_similarity": 0.340104728937149 } }, { "source": "CID:2162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "amlodipine-thioridazine similarity", "source_label": "amlodipine", "target_label": "thioridazine", "cosine_similarity": 0.593144416809082 } }, { "source": "CID:2772764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129706", "properties": { "id": "VU-0011562-somatostatin similarity", "source_label": "VU-0011562", "target_label": "somatostatin", "cosine_similarity": 0.2381974011659622 } }, { "source": "CID:3442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "fusaric-acid-tubocurarine similarity", "source_label": "fusaric-acid", "target_label": "tubocurarine", "cosine_similarity": 0.2953020632266998 } }, { "source": "CID:2764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "ciprofloxacin-hydroxyurea similarity", "source_label": "ciprofloxacin", "target_label": "hydroxyurea", "cosine_similarity": 0.3298981785774231 } }, { "source": "CID:10367662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "KI-16425-JZL-184 similarity", "source_label": "KI-16425", "target_label": "JZL-184", "cosine_similarity": 0.2336649596691131 } }, { "source": "CID:691928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "ST-4029655-SMER-28 similarity", "source_label": "ST-4029655", "target_label": "SMER-28", "cosine_similarity": 0.3234143853187561 } }, { "source": "CID:129360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14113", "properties": { "id": "L-670596-fenigam similarity", "source_label": "L-670596", "target_label": "fenigam", "cosine_similarity": 0.251620888710022 } }, { "source": "CID:11256587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56654642", "properties": { "id": "AMD-11070-RG-2833 similarity", "source_label": "AMD-11070", "target_label": "RG-2833", "cosine_similarity": 0.2927362322807312 } }, { "source": "CID:5166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "SB-239063-SB-203580 similarity", "source_label": "SB-239063", "target_label": "SB-203580", "cosine_similarity": 0.5535744428634644 } }, { "source": "CID:5037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23846564", "properties": { "id": "ramifenazone-butirosin similarity", "source_label": "ramifenazone", "target_label": "butirosin", "cosine_similarity": 0.3171984553337097 } }, { "source": "CID:1206243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "mirin-geldanamycin similarity", "source_label": "mirin", "target_label": "geldanamycin", "cosine_similarity": 0.3048146963119507 } }, { "source": "CID:24360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "camptothecin-genz-644282 similarity", "source_label": "camptothecin", "target_label": "genz-644282", "cosine_similarity": 0.8632932901382446 } }, { "source": "CID:235382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296583", "properties": { "id": "SIB-1893-pirarubicin similarity", "source_label": "SIB-1893", "target_label": "pirarubicin", "cosine_similarity": 0.541752815246582 } }, { "source": "CID:21678144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927531", "properties": { "id": "DPO-1-BIBR-1532 similarity", "source_label": "DPO-1", "target_label": "BIBR-1532", "cosine_similarity": 0.1706810295581817 } }, { "source": "CID:4708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "PD-168393-cobimetinib similarity", "source_label": "PD-168393", "target_label": "cobimetinib", "cosine_similarity": 0.4985493421554565 } }, { "source": "CID:54657733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "SA-1459002-cilostazol similarity", "source_label": "SA-1459002", "target_label": "cilostazol", "cosine_similarity": 0.1944653391838073 } }, { "source": "CID:644030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "DY-131-docetaxel similarity", "source_label": "DY-131", "target_label": "docetaxel", "cosine_similarity": 0.2607103884220123 } }, { "source": "CID:60192484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184097", "properties": { "id": "SA-1925621-SA-1938421 similarity", "source_label": "SA-1925621", "target_label": "SA-1938421", "cosine_similarity": 0.5189505815505981 } }, { "source": "CID:5360515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8982", "properties": { "id": "naltrexone-nafcillin similarity", "source_label": "naltrexone", "target_label": "nafcillin", "cosine_similarity": 0.290355771780014 } }, { "source": "CID:10022508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9820766", "properties": { "id": "MDM2-inhibitor-PD-160170 similarity", "source_label": "MDM2-inhibitor", "target_label": "PD-160170", "cosine_similarity": 0.3772358894348144 } }, { "source": "CID:1379247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "DAC-004-DAC-012 similarity", "source_label": "DAC-004", "target_label": "DAC-012", "cosine_similarity": 0.6793280243873596 } }, { "source": "CID:644213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "GW-9662-DL-TBOA similarity", "source_label": "GW-9662", "target_label": "DL-TBOA", "cosine_similarity": 0.5677705407142639 } }, { "source": "CID:5280569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:761523", "properties": { "id": "daphnetin-m-3M3FBS similarity", "source_label": "daphnetin", "target_label": "m-3M3FBS", "cosine_similarity": 0.2789705395698547 } }, { "source": "CID:172813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "Gly-Gly-PALO-PT-630 similarity", "source_label": "Gly-Gly-PALO", "target_label": "PT-630", "cosine_similarity": 0.5566756725311279 } }, { "source": "CID:4302963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3825829", "properties": { "id": "AM-630-mdivi-1 similarity", "source_label": "AM-630", "target_label": "mdivi-1", "cosine_similarity": 0.1856784522533416 } }, { "source": "CID:9953065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "SLV-320-iproniazid similarity", "source_label": "SLV-320", "target_label": "iproniazid", "cosine_similarity": 0.2972669303417206 } }, { "source": "CID:136238508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10461815", "properties": { "id": "rifapentine-PHA-665752 similarity", "source_label": "rifapentine", "target_label": "PHA-665752", "cosine_similarity": 0.2853633165359497 } }, { "source": "CID:52914932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398506", "properties": { "id": "SAR-245408-SB-590885 similarity", "source_label": "SAR-245408", "target_label": "SB-590885", "cosine_similarity": 0.3344016373157501 } }, { "source": "CID:9952773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "TAK-715-rolipram similarity", "source_label": "TAK-715", "target_label": "rolipram", "cosine_similarity": 0.4321796596050262 } }, { "source": "CID:9989505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "immethridine-FTI-276 similarity", "source_label": "immethridine", "target_label": "FTI-276", "cosine_similarity": 0.4027933776378631 } }, { "source": "CID:40839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "vindesine-vincristine similarity", "source_label": "vindesine", "target_label": "vincristine", "cosine_similarity": 0.6463237404823303 } }, { "source": "CID:60187611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604789", "properties": { "id": "SA-1939838-RS-56812 similarity", "source_label": "SA-1939838", "target_label": "RS-56812", "cosine_similarity": 0.3097938001155853 } }, { "source": "CID:704473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "STF-62247-BIBU-1361 similarity", "source_label": "STF-62247", "target_label": "BIBU-1361", "cosine_similarity": 0.3536027073860168 } }, { "source": "CID:5310993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3448", "properties": { "id": "acipimox-gaboxadol similarity", "source_label": "acipimox", "target_label": "gaboxadol", "cosine_similarity": 0.2648237943649292 } }, { "source": "CID:46869952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "VU-0404997-2-VU-0418933-1 similarity", "source_label": "VU-0404997-2", "target_label": "VU-0418933-1", "cosine_similarity": 0.3141528666019439 } }, { "source": "CID:3033825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "levosimendan-lamivudine similarity", "source_label": "levosimendan", "target_label": "lamivudine", "cosine_similarity": 0.5372108221054077 } }, { "source": "CID:71271629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "PFI-1-I-BET-762 similarity", "source_label": "PFI-1", "target_label": "I-BET-762", "cosine_similarity": 0.8881145715713501 } }, { "source": "CID:448014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "AR-A014418-fumonisin-b1 similarity", "source_label": "AR-A014418", "target_label": "fumonisin-b1", "cosine_similarity": 0.4279739260673523 } }, { "source": "CID:44505045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-419050-SA-1919248 similarity", "source_label": "SA-419050", "target_label": "SA-1919248", "cosine_similarity": 0.3534414172172546 } }, { "source": "CID:49843020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "CAM-9-021-EMF-sumo1-6 similarity", "source_label": "CAM-9-021", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.3745767772197723 } }, { "source": "CID:2834356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ST-003833-Gossypetin similarity", "source_label": "ST-003833", "target_label": "Gossypetin", "cosine_similarity": 0.2068598270416259 } }, { "source": "CID:11373846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "GSK-429286A-FTI-276 similarity", "source_label": "GSK-429286A", "target_label": "FTI-276", "cosine_similarity": 0.4117010831832886 } }, { "source": "CID:134141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "fluphenazine-sertraline similarity", "source_label": "fluphenazine", "target_label": "sertraline", "cosine_similarity": 0.6910072565078735 } }, { "source": "CID:119607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "valdecoxib-KO-143 similarity", "source_label": "valdecoxib", "target_label": "KO-143", "cosine_similarity": 0.4023223221302032 } }, { "source": "CID:1243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5450", "properties": { "id": "SKF-83566-thioperamide similarity", "source_label": "SKF-83566", "target_label": "thioperamide", "cosine_similarity": 0.2527145147323608 } }, { "source": "CID:4020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "mazindol-ABT-202 similarity", "source_label": "mazindol", "target_label": "ABT-202", "cosine_similarity": 0.3637179732322693 } }, { "source": "CID:657237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:152946", "properties": { "id": "fludarabine-moxifloxacin similarity", "source_label": "fludarabine", "target_label": "moxifloxacin", "cosine_similarity": 0.4051700532436371 } }, { "source": "CID:60835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "duloxetine-lomerizine similarity", "source_label": "duloxetine", "target_label": "lomerizine", "cosine_similarity": 0.291293740272522 } }, { "source": "CID:24901704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "MGCD-265-lapatinib similarity", "source_label": "MGCD-265", "target_label": "lapatinib", "cosine_similarity": 0.2821732759475708 } }, { "source": "CID:9934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5488548", "properties": { "id": "timonacic-alvimopan similarity", "source_label": "timonacic", "target_label": "alvimopan", "cosine_similarity": 0.4154621362686157 } }, { "source": "CID:4519822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "MRS-1334-estropipate similarity", "source_label": "MRS-1334", "target_label": "estropipate", "cosine_similarity": 0.2551343142986297 } }, { "source": "CID:5941539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "SU-1498-cyclosporin-a similarity", "source_label": "SU-1498", "target_label": "cyclosporin-a", "cosine_similarity": 0.3633618652820587 } }, { "source": "CID:44907120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "VU-0413243-1-CAY-10594 similarity", "source_label": "VU-0413243-1", "target_label": "CAY-10594", "cosine_similarity": 0.2813432514667511 } }, { "source": "CID:11296282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "DG-041-hexachlorophene similarity", "source_label": "DG-041", "target_label": "hexachlorophene", "cosine_similarity": 0.4820896089076996 } }, { "source": "CID:1833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "5-methoxytryptamine-DR-2313 similarity", "source_label": "5-methoxytryptamine", "target_label": "DR-2313", "cosine_similarity": 0.3212202489376068 } }, { "source": "CID:28871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208901", "properties": { "id": "fentiazac-tesaglitazar similarity", "source_label": "fentiazac", "target_label": "tesaglitazar", "cosine_similarity": 0.2853132784366607 } }, { "source": "CID:5287620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "brefeldin-a-FCCP similarity", "source_label": "brefeldin-a", "target_label": "FCCP", "cosine_similarity": 0.6171161532402039 } }, { "source": "CID:60877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "emtricitabine-apocynin similarity", "source_label": "emtricitabine", "target_label": "apocynin", "cosine_similarity": 0.423839122056961 } }, { "source": "CID:45281801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45281794", "properties": { "id": "VU-0365121-1-VU-0365114-2 similarity", "source_label": "VU-0365121-1", "target_label": "VU-0365114-2", "cosine_similarity": 0.4650927186012268 } }, { "source": "CID:443943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "halcinonide-fluticasone-propionate similarity", "source_label": "halcinonide", "target_label": "fluticasone-propionate", "cosine_similarity": 0.657588005065918 } }, { "source": "CID:21704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234049", "properties": { "id": "vidarabine-tedizolid similarity", "source_label": "vidarabine", "target_label": "tedizolid", "cosine_similarity": 0.2958377003669739 } }, { "source": "CID:8593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "cinchophen-furazolidone similarity", "source_label": "cinchophen", "target_label": "furazolidone", "cosine_similarity": 0.5596209168434143 } }, { "source": "CID:2551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "carbachol-KIN001-269 similarity", "source_label": "carbachol", "target_label": "KIN001-269", "cosine_similarity": 0.3498601615428924 } }, { "source": "CID:67278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "phenoxazine-ARG-CSC-91 similarity", "source_label": "phenoxazine", "target_label": "ARG-CSC-91", "cosine_similarity": 0.4476610124111175 } }, { "source": "CID:5353633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "farnesylthiotriazole-zolpidem similarity", "source_label": "farnesylthiotriazole", "target_label": "zolpidem", "cosine_similarity": 0.188293769955635 } }, { "source": "CID:6736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:235382", "properties": { "id": "skatole-SIB-1893 similarity", "source_label": "skatole", "target_label": "SIB-1893", "cosine_similarity": 0.2588964998722076 } }, { "source": "CID:2092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "alfuzosin-BMS-641988 similarity", "source_label": "alfuzosin", "target_label": "BMS-641988", "cosine_similarity": 0.3303611576557159 } }, { "source": "CID:4207396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108094", "properties": { "id": "ST-014147-RX-821002 similarity", "source_label": "ST-014147", "target_label": "RX-821002", "cosine_similarity": 0.2697202563285827 } }, { "source": "CID:101498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "5-FP-methyl-fasudil similarity", "source_label": "5-FP", "target_label": "methyl-fasudil", "cosine_similarity": 0.3005214929580688 } }, { "source": "CID:1243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "SKF-83566-nemonapride similarity", "source_label": "SKF-83566", "target_label": "nemonapride", "cosine_similarity": 0.2534477114677429 } }, { "source": "CID:31703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "doxorubicin-idarubicin similarity", "source_label": "doxorubicin", "target_label": "idarubicin", "cosine_similarity": 0.694907546043396 } }, { "source": "CID:2768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "dichlorodiamine-platinum-SA-1919345 similarity", "source_label": "dichlorodiamine-platinum", "target_label": "SA-1919345", "cosine_similarity": 0.3030420839786529 } }, { "source": "CID:60186973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184097", "properties": { "id": "SA-1938111-SA-1938421 similarity", "source_label": "SA-1938111", "target_label": "SA-1938421", "cosine_similarity": 0.2714636027812958 } }, { "source": "CID:15301607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "VU-0415012-BMS-641988 similarity", "source_label": "VU-0415012", "target_label": "BMS-641988", "cosine_similarity": 0.1736890971660614 } }, { "source": "CID:4369524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "tanaproget-vemurafenib similarity", "source_label": "tanaproget", "target_label": "vemurafenib", "cosine_similarity": 0.3787860572338104 } }, { "source": "CID:10947895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "paroxetine-perphenazine similarity", "source_label": "paroxetine", "target_label": "perphenazine", "cosine_similarity": 0.7221639752388 } }, { "source": "CID:1967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216327", "properties": { "id": "docebenone-senicapoc similarity", "source_label": "docebenone", "target_label": "senicapoc", "cosine_similarity": 0.1347632557153701 } }, { "source": "CID:3828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234049", "properties": { "id": "khellin-tedizolid similarity", "source_label": "khellin", "target_label": "tedizolid", "cosine_similarity": 0.1636997163295745 } }, { "source": "CID:5702069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "hydrocortisone-hemisuccinate-halcinonide similarity", "source_label": "hydrocortisone-hemisuccinate", "target_label": "halcinonide", "cosine_similarity": 0.369547039270401 } }, { "source": "CID:5132514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330535", "properties": { "id": "L-690488-D-64406 similarity", "source_label": "L-690488", "target_label": "D-64406", "cosine_similarity": 0.3679712414741516 } }, { "source": "CID:108029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "RU-24969-CGS-21680 similarity", "source_label": "RU-24969", "target_label": "CGS-21680", "cosine_similarity": 0.3891910314559936 } }, { "source": "CID:46844147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843772", "properties": { "id": "XMD-885-XMD-892 similarity", "source_label": "XMD-885", "target_label": "XMD-892", "cosine_similarity": 0.7290952801704407 } }, { "source": "CID:4160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12540", "properties": { "id": "methyl-testosterone-triphenyl-tin similarity", "source_label": "methyl-testosterone", "target_label": "triphenyl-tin", "cosine_similarity": 0.2603570222854614 } }, { "source": "CID:54671008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "raltegravir-swainsonine similarity", "source_label": "raltegravir", "target_label": "swainsonine", "cosine_similarity": 0.3953152000904083 } }, { "source": "CID:3307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "etizolam-venlafaxine similarity", "source_label": "etizolam", "target_label": "venlafaxine", "cosine_similarity": 0.3249277770519256 } }, { "source": "CID:49850262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:568416", "properties": { "id": "tubastatin-a-droxinostat similarity", "source_label": "tubastatin-a", "target_label": "droxinostat", "cosine_similarity": 0.2481557577848434 } }, { "source": "CID:62389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3671", "properties": { "id": "6-benzylaminopurine-ibudilast similarity", "source_label": "6-benzylaminopurine", "target_label": "ibudilast", "cosine_similarity": 0.2342948019504547 } }, { "source": "CID:41867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "epirubicin-idarubicin similarity", "source_label": "epirubicin", "target_label": "idarubicin", "cosine_similarity": 0.6908875703811646 } }, { "source": "CID:2320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "benfotiamine-methapyrilene similarity", "source_label": "benfotiamine", "target_label": "methapyrilene", "cosine_similarity": 0.2076361328363418 } }, { "source": "CID:3610881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "EMF-sumo1-5-darinaparsin similarity", "source_label": "EMF-sumo1-5", "target_label": "darinaparsin", "cosine_similarity": 0.3524958789348602 } }, { "source": "CID:73707524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "stanozolol-gliclazide similarity", "source_label": "stanozolol", "target_label": "gliclazide", "cosine_similarity": 0.2261547893285751 } }, { "source": "CID:9828429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "proscillaridin-ouabain similarity", "source_label": "proscillaridin", "target_label": "ouabain", "cosine_similarity": 0.9283197522163392 } }, { "source": "CID:73707359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "L-ascorbyl-6-palmitate-naltrexone similarity", "source_label": "L-ascorbyl-6-palmitate", "target_label": "naltrexone", "cosine_similarity": 0.250962495803833 } }, { "source": "CID:449196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:260972", "properties": { "id": "androstanol-EMF-sumo1-8 similarity", "source_label": "androstanol", "target_label": "EMF-sumo1-8", "cosine_similarity": 0.2811432778835296 } }, { "source": "CID:5388993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "vincristine-mebendazole similarity", "source_label": "vincristine", "target_label": "mebendazole", "cosine_similarity": 0.7041780352592468 } }, { "source": "CID:4284525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4396344", "properties": { "id": "GR-135531-5'-guanidinonaltrindole similarity", "source_label": "GR-135531", "target_label": "5'-guanidinonaltrindole", "cosine_similarity": 0.2072386741638183 } }, { "source": "CID:16220172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5190", "properties": { "id": "ivacaftor-DPI-201106 similarity", "source_label": "ivacaftor", "target_label": "DPI-201106", "cosine_similarity": 0.3847741484642029 } }, { "source": "CID:8421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5901", "properties": { "id": "homoveratrylamine-azauridine similarity", "source_label": "homoveratrylamine", "target_label": "azauridine", "cosine_similarity": 0.2215971797704696 } }, { "source": "CID:8550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "deserpidine-CEP-37440 similarity", "source_label": "deserpidine", "target_label": "CEP-37440", "cosine_similarity": 0.2275683879852295 } }, { "source": "CID:44490269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668348", "properties": { "id": "SA-102787-SA-1922975 similarity", "source_label": "SA-102787", "target_label": "SA-1922975", "cosine_similarity": 0.2924040555953979 } }, { "source": "CID:10461508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "volasertib-NMS-1286937 similarity", "source_label": "volasertib", "target_label": "NMS-1286937", "cosine_similarity": 0.649294912815094 } }, { "source": "CID:3503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "gossypol-rottlerin similarity", "source_label": "gossypol", "target_label": "rottlerin", "cosine_similarity": 0.5186362862586975 } }, { "source": "CID:3198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "econazole-cianidanol similarity", "source_label": "econazole", "target_label": "cianidanol", "cosine_similarity": 0.3431020975112915 } }, { "source": "CID:5353431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "BAY-11-7082-pifithrin-mu similarity", "source_label": "BAY-11-7082", "target_label": "pifithrin-mu", "cosine_similarity": 0.6497724056243896 } }, { "source": "CID:24875320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "ALW-II-49-7-GW-5074 similarity", "source_label": "ALW-II-49-7", "target_label": "GW-5074", "cosine_similarity": 0.3667614758014679 } }, { "source": "CID:4135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "methyl-benzethonium-heliomycin similarity", "source_label": "methyl-benzethonium", "target_label": "heliomycin", "cosine_similarity": 0.6365211009979248 } }, { "source": "CID:46869941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0366037-2-Gossypetin similarity", "source_label": "VU-0366037-2", "target_label": "Gossypetin", "cosine_similarity": 0.2492145001888275 } }, { "source": "CID:9892554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "EMD-84-valproic-acid similarity", "source_label": "EMD-84", "target_label": "valproic-acid", "cosine_similarity": 0.2938052117824554 } }, { "source": "CID:3077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:362328", "properties": { "id": "dimaprit-NSC-625987 similarity", "source_label": "dimaprit", "target_label": "NSC-625987", "cosine_similarity": 0.234366163611412 } }, { "source": "CID:51147633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "ME-0328-CV-1808 similarity", "source_label": "ME-0328", "target_label": "CV-1808", "cosine_similarity": 0.4819779396057129 } }, { "source": "CID:9889366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11256587", "properties": { "id": "mibampator-AMD-11070 similarity", "source_label": "mibampator", "target_label": "AMD-11070", "cosine_similarity": 0.3864412307739258 } }, { "source": "CID:4363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "N-formylmethionylalanine-ropinirole similarity", "source_label": "N-formylmethionylalanine", "target_label": "ropinirole", "cosine_similarity": 0.3279359936714172 } }, { "source": "CID:54657753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "SA-1460110-ripasudil similarity", "source_label": "SA-1460110", "target_label": "ripasudil", "cosine_similarity": 0.2683374881744385 } }, { "source": "CID:54658205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:158794", "properties": { "id": "SA-1456102-ZD-2079 similarity", "source_label": "SA-1456102", "target_label": "ZD-2079", "cosine_similarity": 0.2634070217609405 } }, { "source": "CID:4950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "propylthiouracil-SB-683698 similarity", "source_label": "propylthiouracil", "target_label": "SB-683698", "cosine_similarity": 0.4182299375534057 } }, { "source": "CID:44492894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "SA-90471-SA-441092 similarity", "source_label": "SA-90471", "target_label": "SA-441092", "cosine_similarity": 0.5659074187278748 } }, { "source": "CID:46944259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9932888", "properties": { "id": "LY-2874455-lestaurtinib similarity", "source_label": "LY-2874455", "target_label": "lestaurtinib", "cosine_similarity": 0.5430877208709717 } }, { "source": "CID:54659373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485323", "properties": { "id": "SA-1456305-SA-86418 similarity", "source_label": "SA-1456305", "target_label": "SA-86418", "cosine_similarity": 0.2723684310913086 } }, { "source": "CID:3080926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115348", "properties": { "id": "2-BFI-2-iodomelatonin similarity", "source_label": "2-BFI", "target_label": "2-iodomelatonin", "cosine_similarity": 0.543074905872345 } }, { "source": "CID:5328768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "TYRPHOSTIN-46-MW-MITF28 similarity", "source_label": "TYRPHOSTIN-46", "target_label": "MW-MITF28", "cosine_similarity": 0.3192359209060669 } }, { "source": "CID:45281801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "VU-0365121-1-vinorelbine similarity", "source_label": "VU-0365121-1", "target_label": "vinorelbine", "cosine_similarity": 0.4421112537384033 } }, { "source": "CID:483407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31307", "properties": { "id": "maraviroc-triamcinolone similarity", "source_label": "maraviroc", "target_label": "triamcinolone", "cosine_similarity": 0.3924021422863006 } }, { "source": "CID:222786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "cortisone-KU-C104137 similarity", "source_label": "cortisone", "target_label": "KU-C104137", "cosine_similarity": 0.4014370441436767 } }, { "source": "CID:9871074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:462382", "properties": { "id": "talmapimod-MG-132 similarity", "source_label": "talmapimod", "target_label": "MG-132", "cosine_similarity": 0.4503498673439026 } }, { "source": "CID:443943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "halcinonide-dexamethasone similarity", "source_label": "halcinonide", "target_label": "dexamethasone", "cosine_similarity": 0.6914405226707458 } }, { "source": "CID:3913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "tetramisole-Gossypetin similarity", "source_label": "tetramisole", "target_label": "Gossypetin", "cosine_similarity": 0.2780947387218475 } }, { "source": "CID:5191289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "Ro-60-0175-ST-4029655 similarity", "source_label": "Ro-60-0175", "target_label": "ST-4029655", "cosine_similarity": 0.2412835955619812 } }, { "source": "CID:6918236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132971", "properties": { "id": "perzinfotel-abiraterone similarity", "source_label": "perzinfotel", "target_label": "abiraterone", "cosine_similarity": 0.3541114330291748 } }, { "source": "CID:10152654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "odanacatib-VX-222 similarity", "source_label": "odanacatib", "target_label": "VX-222", "cosine_similarity": 0.2834886014461517 } }, { "source": "CID:54666542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44491516", "properties": { "id": "SA-1922006-SA-432137 similarity", "source_label": "SA-1922006", "target_label": "SA-432137", "cosine_similarity": 0.2456975132226944 } }, { "source": "CID:2064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "AG-957-cerulenin similarity", "source_label": "AG-957", "target_label": "cerulenin", "cosine_similarity": 0.6364758014678955 } }, { "source": "CID:938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "niacin-emtricitabine similarity", "source_label": "niacin", "target_label": "emtricitabine", "cosine_similarity": 0.4771684408187866 } }, { "source": "CID:46695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "salsoline-3-CPMT similarity", "source_label": "salsoline", "target_label": "3-CPMT", "cosine_similarity": 0.3479060530662536 } }, { "source": "CID:3634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191454", "properties": { "id": "hycanthone-PHA-793887 similarity", "source_label": "hycanthone", "target_label": "PHA-793887", "cosine_similarity": 0.3494776487350464 } }, { "source": "CID:702558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "RG-108-phenothiazine similarity", "source_label": "RG-108", "target_label": "phenothiazine", "cosine_similarity": 0.440803974866867 } }, { "source": "CID:3292447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "SB-216641-NTNCB similarity", "source_label": "SB-216641", "target_label": "NTNCB", "cosine_similarity": 0.5343641042709351 } }, { "source": "CID:16129666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "thiostrepton-MD-II-051 similarity", "source_label": "thiostrepton", "target_label": "MD-II-051", "cosine_similarity": 0.7697839736938477 } }, { "source": "CID:3035746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "iodophenpropit-promazine similarity", "source_label": "iodophenpropit", "target_label": "promazine", "cosine_similarity": 0.5086519718170166 } }, { "source": "CID:155806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "MMPX-FTI-276 similarity", "source_label": "MMPX", "target_label": "FTI-276", "cosine_similarity": 0.3728275299072265 } }, { "source": "CID:2966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "debrisoquin-temozolomide similarity", "source_label": "debrisoquin", "target_label": "temozolomide", "cosine_similarity": 0.1534245908260345 } }, { "source": "CID:5278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "ponalrestat-CV-1808 similarity", "source_label": "ponalrestat", "target_label": "CV-1808", "cosine_similarity": 0.262759119272232 } }, { "source": "CID:135511839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "carbadox-UB-165 similarity", "source_label": "carbadox", "target_label": "UB-165", "cosine_similarity": 0.2250992655754089 } }, { "source": "CID:4671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "palmitoylethanolamide-levamisole similarity", "source_label": "palmitoylethanolamide", "target_label": "levamisole", "cosine_similarity": 0.3979203402996063 } }, { "source": "CID:45281794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "VU-0365114-2-vinblastine similarity", "source_label": "VU-0365114-2", "target_label": "vinblastine", "cosine_similarity": 0.4658124446868896 } }, { "source": "CID:906542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "STK-249718-NSC-663284 similarity", "source_label": "STK-249718", "target_label": "NSC-663284", "cosine_similarity": 0.5952150225639343 } }, { "source": "CID:54454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "simvastatin-raloxifene similarity", "source_label": "simvastatin", "target_label": "raloxifene", "cosine_similarity": 0.523280918598175 } }, { "source": "CID:135821878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "BJM-CSC-15-heliomycin similarity", "source_label": "BJM-CSC-15", "target_label": "heliomycin", "cosine_similarity": 0.4864904880523681 } }, { "source": "CID:15541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "spectinomycin-gossypin similarity", "source_label": "spectinomycin", "target_label": "gossypin", "cosine_similarity": 0.2873099744319916 } }, { "source": "CID:65889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "apafant-bicalutamide similarity", "source_label": "apafant", "target_label": "bicalutamide", "cosine_similarity": 0.559566855430603 } }, { "source": "CID:5353685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283393", "properties": { "id": "I-OMe-AG-538-arachidonamide similarity", "source_label": "I-OMe-AG-538", "target_label": "arachidonamide", "cosine_similarity": 0.3547956645488739 } }, { "source": "CID:3634881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438900", "properties": { "id": "CCT036477-JS-K similarity", "source_label": "CCT036477", "target_label": "JS-K", "cosine_similarity": 0.4895096123218536 } }, { "source": "CID:54666569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353593", "properties": { "id": "SA-1920013-DMBI similarity", "source_label": "SA-1920013", "target_label": "DMBI", "cosine_similarity": 0.293180763721466 } }, { "source": "CID:4423427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "ST-019366-BML-259 similarity", "source_label": "ST-019366", "target_label": "BML-259", "cosine_similarity": 0.1928218603134155 } }, { "source": "CID:135659046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "salermide-tyrphostin-A9 similarity", "source_label": "salermide", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5602927207946777 } }, { "source": "CID:11998575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "palomid-529-resatorvid similarity", "source_label": "palomid-529", "target_label": "resatorvid", "cosine_similarity": 0.5743710994720459 } }, { "source": "CID:3103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281607", "properties": { "id": "diphenylpyraline-chrysin similarity", "source_label": "diphenylpyraline", "target_label": "chrysin", "cosine_similarity": 0.4713515639305115 } }, { "source": "CID:3822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "ketanserin-saxagliptin similarity", "source_label": "ketanserin", "target_label": "saxagliptin", "cosine_similarity": 0.3669527471065521 } }, { "source": "CID:6708558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5419", "properties": { "id": "haematoxylin-pentaacetate-tetryzoline similarity", "source_label": "haematoxylin-pentaacetate", "target_label": "tetryzoline", "cosine_similarity": 0.2166232317686081 } }, { "source": "CID:4992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "mepyramine-dorzolamide similarity", "source_label": "mepyramine", "target_label": "dorzolamide", "cosine_similarity": 0.3767726421356201 } }, { "source": "CID:44143698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "KU-C103420N-ST-059620 similarity", "source_label": "KU-C103420N", "target_label": "ST-059620", "cosine_similarity": 0.2478569149971008 } }, { "source": "CID:5280335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "sphingosine-K784-3187 similarity", "source_label": "sphingosine", "target_label": "K784-3187", "cosine_similarity": 0.245405226945877 } }, { "source": "CID:1048267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "ML-161-RU-24969 similarity", "source_label": "ML-161", "target_label": "RU-24969", "cosine_similarity": 0.385461151599884 } }, { "source": "CID:1356208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "SANT-1-alitretinoin similarity", "source_label": "SANT-1", "target_label": "alitretinoin", "cosine_similarity": 0.45660600066185 } }, { "source": "CID:5284566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "granisetron-camicinal similarity", "source_label": "granisetron", "target_label": "camicinal", "cosine_similarity": 0.5706178545951843 } }, { "source": "CID:46218908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:462382", "properties": { "id": "ONX-0914-MG-132 similarity", "source_label": "ONX-0914", "target_label": "MG-132", "cosine_similarity": 0.5962004065513611 } }, { "source": "CID:54666568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "SA-1919584-dasatinib similarity", "source_label": "SA-1919584", "target_label": "dasatinib", "cosine_similarity": 0.2715905606746673 } }, { "source": "CID:491941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "pritelivir-honokiol similarity", "source_label": "pritelivir", "target_label": "honokiol", "cosine_similarity": 0.5381988286972046 } }, { "source": "CID:5284566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "granisetron-danegaptide similarity", "source_label": "granisetron", "target_label": "danegaptide", "cosine_similarity": 0.6127089262008667 } }, { "source": "CID:4436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3001055", "properties": { "id": "naphazoline-ranitidine similarity", "source_label": "naphazoline", "target_label": "ranitidine", "cosine_similarity": 0.2004056870937347 } }, { "source": "CID:449459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "tamoxifen-sertraline similarity", "source_label": "tamoxifen", "target_label": "sertraline", "cosine_similarity": 0.7460057735443115 } }, { "source": "CID:4991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "mestinon-fluticasone-propionate similarity", "source_label": "mestinon", "target_label": "fluticasone-propionate", "cosine_similarity": 0.3909178376197815 } }, { "source": "CID:44240264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "SRT-1720-tamoxifen similarity", "source_label": "SRT-1720", "target_label": "tamoxifen", "cosine_similarity": 0.4959384202957153 } }, { "source": "CID:4915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "procarbazine-PT-630 similarity", "source_label": "procarbazine", "target_label": "PT-630", "cosine_similarity": 0.2614170908927917 } }, { "source": "CID:27200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2107", "properties": { "id": "thiamphenicol-alpha-methylserotonin similarity", "source_label": "thiamphenicol", "target_label": "alpha-methylserotonin", "cosine_similarity": 0.1655489951372146 } }, { "source": "CID:21109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "trimetazidine-GNF-2 similarity", "source_label": "trimetazidine", "target_label": "GNF-2", "cosine_similarity": 0.2642848193645477 } }, { "source": "CID:31101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "bromocriptine-S-18986 similarity", "source_label": "bromocriptine", "target_label": "S-18986", "cosine_similarity": 0.3525224328041076 } }, { "source": "CID:6185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708600", "properties": { "id": "strophanthidin-sarmentogenin similarity", "source_label": "strophanthidin", "target_label": "sarmentogenin", "cosine_similarity": 0.7517181038856506 } }, { "source": "CID:9839311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "A-205804-TUL-XXI039 similarity", "source_label": "A-205804", "target_label": "TUL-XXI039", "cosine_similarity": 0.2873301208019256 } }, { "source": "CID:6710741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2075", "properties": { "id": "baeomycesic-acid-aklomide similarity", "source_label": "baeomycesic-acid", "target_label": "aklomide", "cosine_similarity": 0.2213779538869857 } }, { "source": "CID:3828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5215", "properties": { "id": "khellin-sulfadiazine similarity", "source_label": "khellin", "target_label": "sulfadiazine", "cosine_similarity": 0.1822435110807418 } }, { "source": "CID:6476406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "NP-010914-enzalutamide similarity", "source_label": "NP-010914", "target_label": "enzalutamide", "cosine_similarity": 0.2425364255905151 } }, { "source": "CID:5467485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "AG-592-bithionol similarity", "source_label": "AG-592", "target_label": "bithionol", "cosine_similarity": 0.6875237226486206 } }, { "source": "CID:4615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "oxatomide-DPCPX similarity", "source_label": "oxatomide", "target_label": "DPCPX", "cosine_similarity": 0.4688605964183807 } }, { "source": "CID:71414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702036", "properties": { "id": "diflorasone-dexamethasone-acetate similarity", "source_label": "diflorasone", "target_label": "dexamethasone-acetate", "cosine_similarity": 0.3370417058467865 } }, { "source": "CID:19003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "ciclacillin-zebularine similarity", "source_label": "ciclacillin", "target_label": "zebularine", "cosine_similarity": 0.3138813078403473 } }, { "source": "CID:3082718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "ICI-199441-GR-127935 similarity", "source_label": "ICI-199441", "target_label": "GR-127935", "cosine_similarity": 0.4402153193950653 } }, { "source": "CID:54668530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "SA-1920722-SA-1457810 similarity", "source_label": "SA-1920722", "target_label": "SA-1457810", "cosine_similarity": 0.3483961224555969 } }, { "source": "CID:73707612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445354", "properties": { "id": "BG-1015-retinol similarity", "source_label": "BG-1015", "target_label": "retinol", "cosine_similarity": 0.2319464981555938 } }, { "source": "CID:3747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3671", "properties": { "id": "ipriflavone-ibudilast similarity", "source_label": "ipriflavone", "target_label": "ibudilast", "cosine_similarity": 0.2382051199674606 } }, { "source": "CID:130881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "olmesartan-medoxomil-ICI-162846 similarity", "source_label": "olmesartan-medoxomil", "target_label": "ICI-162846", "cosine_similarity": 0.3923994302749634 } }, { "source": "CID:12540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:299", "properties": { "id": "triphenyl-tin-kepone similarity", "source_label": "triphenyl-tin", "target_label": "kepone", "cosine_similarity": 0.2664492726325989 } }, { "source": "CID:46740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1534", "properties": { "id": "Ro-04-5595-aminomethyltransferase similarity", "source_label": "Ro-04-5595", "target_label": "aminomethyltransferase", "cosine_similarity": 0.2363079935312271 } }, { "source": "CID:6603931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "MRS-1754-Gossypetin similarity", "source_label": "MRS-1754", "target_label": "Gossypetin", "cosine_similarity": 0.3209782242774963 } }, { "source": "CID:11434515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "aclidinium-saxagliptin similarity", "source_label": "aclidinium", "target_label": "saxagliptin", "cosine_similarity": 0.4733177423477173 } }, { "source": "CID:688561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "procaterol-FTI-276 similarity", "source_label": "procaterol", "target_label": "FTI-276", "cosine_similarity": 0.4030895829200744 } }, { "source": "CID:44494796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-97378-SA-96816 similarity", "source_label": "SA-97378", "target_label": "SA-96816", "cosine_similarity": 0.4067112505435943 } }, { "source": "CID:44494463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-242443-SA-441181 similarity", "source_label": "SA-242443", "target_label": "SA-441181", "cosine_similarity": 0.2712647318840027 } }, { "source": "CID:5382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "TCPOBOP-MW-STK33-4C similarity", "source_label": "TCPOBOP", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3349848389625549 } }, { "source": "CID:16220172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "ivacaftor-orphenadrine similarity", "source_label": "ivacaftor", "target_label": "orphenadrine", "cosine_similarity": 0.4292671680450439 } }, { "source": "CID:36462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "etoposide-gemcitabine similarity", "source_label": "etoposide", "target_label": "gemcitabine", "cosine_similarity": 0.6381039619445801 } }, { "source": "CID:44602375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "KU-C104123-CVF-SUMO-7 similarity", "source_label": "KU-C104123", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.2643760442733764 } }, { "source": "CID:2467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "buflomedil-nicotinamide similarity", "source_label": "buflomedil", "target_label": "nicotinamide", "cosine_similarity": 0.3283421695232391 } }, { "source": "CID:44494528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "SA-424763-SA-1457810 similarity", "source_label": "SA-424763", "target_label": "SA-1457810", "cosine_similarity": 0.288291871547699 } }, { "source": "CID:3344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "fenspiride-pipenzolate similarity", "source_label": "fenspiride", "target_label": "pipenzolate", "cosine_similarity": 0.3291390240192413 } }, { "source": "CID:5702199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "antimycin-a-serotonin similarity", "source_label": "antimycin-a", "target_label": "serotonin", "cosine_similarity": 0.3777609169483185 } }, { "source": "CID:1042895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "felamidin-meclofenamic-acid similarity", "source_label": "felamidin", "target_label": "meclofenamic-acid", "cosine_similarity": 0.4420304894447326 } }, { "source": "CID:5126051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650919", "properties": { "id": "CPCCOEt-ST-4049616 similarity", "source_label": "CPCCOEt", "target_label": "ST-4049616", "cosine_similarity": 0.2747804522514343 } }, { "source": "CID:3830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "kinetin-JZL-184 similarity", "source_label": "kinetin", "target_label": "JZL-184", "cosine_similarity": 0.2976268529891968 } }, { "source": "CID:4197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "milrinone-grazoprevir similarity", "source_label": "milrinone", "target_label": "grazoprevir", "cosine_similarity": 0.3880281448364258 } }, { "source": "CID:5036604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "eugenitol-ALW-II-49-7 similarity", "source_label": "eugenitol", "target_label": "ALW-II-49-7", "cosine_similarity": 0.2683784961700439 } }, { "source": "CID:8567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "meglumine-diazoxide similarity", "source_label": "meglumine", "target_label": "diazoxide", "cosine_similarity": 0.1976637691259384 } }, { "source": "CID:4410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "nadifloxacin-diazoxide similarity", "source_label": "nadifloxacin", "target_label": "diazoxide", "cosine_similarity": 0.2702768743038177 } }, { "source": "CID:3366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "flucytosine-DAC-004 similarity", "source_label": "flucytosine", "target_label": "DAC-004", "cosine_similarity": 0.2199697941541671 } }, { "source": "CID:5312529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "eicosatrienoic-acid-DAC-009 similarity", "source_label": "eicosatrienoic-acid", "target_label": "DAC-009", "cosine_similarity": 0.2900948226451874 } }, { "source": "CID:693139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "CAY-10577-SAL-1 similarity", "source_label": "CAY-10577", "target_label": "SAL-1", "cosine_similarity": 0.2528901994228363 } }, { "source": "CID:6410758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "cefatrizine-BG-STK33-55 similarity", "source_label": "cefatrizine", "target_label": "BG-STK33-55", "cosine_similarity": 0.283926248550415 } }, { "source": "CID:73707545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1028-BG-1003 similarity", "source_label": "BG-1028", "target_label": "BG-1003", "cosine_similarity": 0.5853577256202698 } }, { "source": "CID:49766530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "TL-HRAS-61-F-1566-0341 similarity", "source_label": "TL-HRAS-61", "target_label": "F-1566-0341", "cosine_similarity": 0.4952365756034851 } }, { "source": "CID:46898058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "GSK-923295-tasquinimod similarity", "source_label": "GSK-923295", "target_label": "tasquinimod", "cosine_similarity": 0.339779257774353 } }, { "source": "CID:439504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25419", "properties": { "id": "tylosin-clodronic-acid similarity", "source_label": "tylosin", "target_label": "clodronic-acid", "cosine_similarity": 0.1938697099685669 } }, { "source": "CID:6433118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5469318", "properties": { "id": "lirimilast-salirasib similarity", "source_label": "lirimilast", "target_label": "salirasib", "cosine_similarity": 0.4718557894229889 } }, { "source": "CID:71384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "razoxane-nocodazole similarity", "source_label": "razoxane", "target_label": "nocodazole", "cosine_similarity": 0.6261020302772522 } }, { "source": "CID:44602407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3545", "properties": { "id": "KU-C104230-C-1 similarity", "source_label": "KU-C104230", "target_label": "C-1", "cosine_similarity": 0.3218929171562195 } }, { "source": "CID:44907120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "VU-0413243-1-promazine similarity", "source_label": "VU-0413243-1", "target_label": "promazine", "cosine_similarity": 0.280105322599411 } }, { "source": "CID:5055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "resorcinol-diethylcarbamazine similarity", "source_label": "resorcinol", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3738869428634643 } }, { "source": "CID:68186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5265", "properties": { "id": "spiramide-spiperone similarity", "source_label": "spiramide", "target_label": "spiperone", "cosine_similarity": 0.5327188968658447 } }, { "source": "CID:6604471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "methiazole-dolastatin-10 similarity", "source_label": "methiazole", "target_label": "dolastatin-10", "cosine_similarity": 0.4704781472682953 } }, { "source": "CID:1042895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "felamidin-MK-212 similarity", "source_label": "felamidin", "target_label": "MK-212", "cosine_similarity": 0.4440126121044159 } }, { "source": "CID:45006121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24864821", "properties": { "id": "lacitol-AMG-208 similarity", "source_label": "lacitol", "target_label": "AMG-208", "cosine_similarity": 0.2964529395103454 } }, { "source": "CID:24880028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11717001", "properties": { "id": "ALW-II-38-3-GDC-0879 similarity", "source_label": "ALW-II-38-3", "target_label": "GDC-0879", "cosine_similarity": 0.5216721892356873 } }, { "source": "CID:4099413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549213", "properties": { "id": "SB-366791-PU-H71 similarity", "source_label": "SB-366791", "target_label": "PU-H71", "cosine_similarity": 0.2574317157268524 } }, { "source": "CID:5491955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38853", "properties": { "id": "cefozopran-methyldopa similarity", "source_label": "cefozopran", "target_label": "methyldopa", "cosine_similarity": 0.3275759816169739 } }, { "source": "CID:2968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4237309", "properties": { "id": "decamethonium-L-701252 similarity", "source_label": "decamethonium", "target_label": "L-701252", "cosine_similarity": 0.1502347290515899 } }, { "source": "CID:67135703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "KIN001-260-JNJ-38877605 similarity", "source_label": "KIN001-260", "target_label": "JNJ-38877605", "cosine_similarity": 0.5387163758277893 } }, { "source": "CID:6604858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "SB-218795-NU-1025 similarity", "source_label": "SB-218795", "target_label": "NU-1025", "cosine_similarity": 0.2583053112030029 } }, { "source": "CID:122150", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "saclofen-herniarin similarity", "source_label": "saclofen", "target_label": "herniarin", "cosine_similarity": 0.3037267625331878 } }, { "source": "CID:6473866", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "tacrolimus-3'-fluorobenzylspiperone similarity", "source_label": "tacrolimus", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.3837231993675232 } }, { "source": "CID:67361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2690", "properties": { "id": "thiomersal-CGS-15943 similarity", "source_label": "thiomersal", "target_label": "CGS-15943", "cosine_similarity": 0.3215347528457641 } }, { "source": "CID:6436393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "carbacyclin-rolipram similarity", "source_label": "carbacyclin", "target_label": "rolipram", "cosine_similarity": 0.2636658251285553 } }, { "source": "CID:5311412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "rimexolone-dexamethasone similarity", "source_label": "rimexolone", "target_label": "dexamethasone", "cosine_similarity": 0.6728255152702332 } }, { "source": "CID:44295709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46697", "properties": { "id": "RTI-55-isosalsoline similarity", "source_label": "RTI-55", "target_label": "isosalsoline", "cosine_similarity": 0.1852993220090866 } }, { "source": "CID:73707382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "myriocin-sparfosic-acid similarity", "source_label": "myriocin", "target_label": "sparfosic-acid", "cosine_similarity": 0.5465506315231323 } }, { "source": "CID:9803433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "MK-0752-saxagliptin similarity", "source_label": "MK-0752", "target_label": "saxagliptin", "cosine_similarity": 0.3706221282482147 } }, { "source": "CID:153948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "ranirestat-herniarin similarity", "source_label": "ranirestat", "target_label": "herniarin", "cosine_similarity": 0.1262246817350387 } }, { "source": "CID:91469546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "oxytetracycline-sorafenib similarity", "source_label": "oxytetracycline", "target_label": "sorafenib", "cosine_similarity": 0.4521573185920715 } }, { "source": "CID:9818682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "UK-383367-dapivirine similarity", "source_label": "UK-383367", "target_label": "dapivirine", "cosine_similarity": 0.3971751928329468 } }, { "source": "CID:4673492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "ZD-7155-zolpidem similarity", "source_label": "ZD-7155", "target_label": "zolpidem", "cosine_similarity": 0.2661605179309845 } }, { "source": "CID:2817242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "BML-266-vemurafenib similarity", "source_label": "BML-266", "target_label": "vemurafenib", "cosine_similarity": 0.2687656879425049 } }, { "source": "CID:73707373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "COT-10b-CHIR-99021 similarity", "source_label": "COT-10b", "target_label": "CHIR-99021", "cosine_similarity": 0.608606219291687 } }, { "source": "CID:167551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "anacardic-acid-KIN001-269 similarity", "source_label": "anacardic-acid", "target_label": "KIN001-269", "cosine_similarity": 0.4537435173988342 } }, { "source": "CID:2662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "celecoxib-clobetasol similarity", "source_label": "celecoxib", "target_label": "clobetasol", "cosine_similarity": 0.4946424961090088 } }, { "source": "CID:3827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54367", "properties": { "id": "ketotifen-altanserin similarity", "source_label": "ketotifen", "target_label": "altanserin", "cosine_similarity": 0.359019935131073 } }, { "source": "CID:1049140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "ST-4042556-HO-013 similarity", "source_label": "ST-4042556", "target_label": "HO-013", "cosine_similarity": 0.2824494540691376 } }, { "source": "CID:641266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "anabasine-DMNB similarity", "source_label": "anabasine", "target_label": "DMNB", "cosine_similarity": 0.2644765079021454 } }, { "source": "CID:2802894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "LY-288513-alpha-tocopherol similarity", "source_label": "LY-288513", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2275926172733307 } }, { "source": "CID:24946690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "bitopertin-lomerizine similarity", "source_label": "bitopertin", "target_label": "lomerizine", "cosine_similarity": 0.4061519801616668 } }, { "source": "CID:44246708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "minocycline-ponatinib similarity", "source_label": "minocycline", "target_label": "ponatinib", "cosine_similarity": 0.3402303159236908 } }, { "source": "CID:5281855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "ellagic-acid-NU-1025 similarity", "source_label": "ellagic-acid", "target_label": "NU-1025", "cosine_similarity": 0.4201061129570007 } }, { "source": "CID:5702265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "colforsin-GW-1929 similarity", "source_label": "colforsin", "target_label": "GW-1929", "cosine_similarity": 0.2947223782539367 } }, { "source": "CID:159311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "bulleyaconitine-a-FTI-276 similarity", "source_label": "bulleyaconitine-a", "target_label": "FTI-276", "cosine_similarity": 0.2928366065025329 } }, { "source": "CID:1133081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1014-BG-1032 similarity", "source_label": "BG-1014", "target_label": "BG-1032", "cosine_similarity": 0.4870000183582306 } }, { "source": "CID:1986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "acetazolamide-iguratimod similarity", "source_label": "acetazolamide", "target_label": "iguratimod", "cosine_similarity": 0.4445547759532928 } }, { "source": "CID:65057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "diphencyprone-z-leu3-VS similarity", "source_label": "diphencyprone", "target_label": "z-leu3-VS", "cosine_similarity": 0.4656379520893097 } }, { "source": "CID:6451149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "netupitant-wortmannin similarity", "source_label": "netupitant", "target_label": "wortmannin", "cosine_similarity": 0.2867278456687927 } }, { "source": "CID:4539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "norfloxacin-phenformin similarity", "source_label": "norfloxacin", "target_label": "phenformin", "cosine_similarity": 0.4373016655445099 } }, { "source": "CID:9809715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "nintedanib-cabozantinib similarity", "source_label": "nintedanib", "target_label": "cabozantinib", "cosine_similarity": 0.34546560049057 } }, { "source": "CID:8616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "peucedanin-JAS07-006 similarity", "source_label": "peucedanin", "target_label": "JAS07-006", "cosine_similarity": 0.3789608478546142 } }, { "source": "CID:5455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3117", "properties": { "id": "thiram-disulfiram similarity", "source_label": "thiram", "target_label": "disulfiram", "cosine_similarity": 0.5836511254310608 } }, { "source": "CID:3314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "eugenol-CGS-20625 similarity", "source_label": "eugenol", "target_label": "CGS-20625", "cosine_similarity": 0.3596456050872803 } }, { "source": "CID:73707613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24906282", "properties": { "id": "THZ-2-98-01-KIN001-043 similarity", "source_label": "THZ-2-98-01", "target_label": "KIN001-043", "cosine_similarity": 0.4891633093357086 } }, { "source": "CID:45281797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918736", "properties": { "id": "VU-0365117-1-rigosertib similarity", "source_label": "VU-0365117-1", "target_label": "rigosertib", "cosine_similarity": 0.4670766294002533 } }, { "source": "CID:6713958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "vitexin-fumonisin-b1 similarity", "source_label": "vitexin", "target_label": "fumonisin-b1", "cosine_similarity": 0.2993731200695038 } }, { "source": "CID:2536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "camostat-mesilate-adenosine similarity", "source_label": "camostat-mesilate", "target_label": "adenosine", "cosine_similarity": 0.3838343918323517 } }, { "source": "CID:160355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "roscovitine-AG-14361 similarity", "source_label": "roscovitine", "target_label": "AG-14361", "cosine_similarity": 0.671983003616333 } }, { "source": "CID:128878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "2-iminobiotin-entecavir similarity", "source_label": "2-iminobiotin", "target_label": "entecavir", "cosine_similarity": 0.4849067628383636 } }, { "source": "CID:23760717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "CA-074-Me-thiostrepton similarity", "source_label": "CA-074-Me", "target_label": "thiostrepton", "cosine_similarity": 0.6055329442024231 } }, { "source": "CID:4855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4410", "properties": { "id": "piromidic-acid-nadifloxacin similarity", "source_label": "piromidic-acid", "target_label": "nadifloxacin", "cosine_similarity": 0.2328315526247024 } }, { "source": "CID:3780913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "ST-019386-darinaparsin similarity", "source_label": "ST-019386", "target_label": "darinaparsin", "cosine_similarity": 0.3095404207706451 } }, { "source": "CID:11494970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "trap-101-phenyl-aminosalicylate similarity", "source_label": "trap-101", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.2236264646053314 } }, { "source": "CID:6321414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "cefpodoxime-TEPP-46 similarity", "source_label": "cefpodoxime", "target_label": "TEPP-46", "cosine_similarity": 0.2391247153282165 } }, { "source": "CID:228398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60769", "properties": { "id": "L-theanine-MDL-73005EF similarity", "source_label": "L-theanine", "target_label": "MDL-73005EF", "cosine_similarity": 0.1699671447277069 } }, { "source": "CID:7108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "phenothiazine-RG-108 similarity", "source_label": "phenothiazine", "target_label": "RG-108", "cosine_similarity": 0.440803974866867 } }, { "source": "CID:130611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "kifunensine-APO-866 similarity", "source_label": "kifunensine", "target_label": "APO-866", "cosine_similarity": 0.2972038090229034 } }, { "source": "CID:73157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "lobaric-acid-SAR-245408 similarity", "source_label": "lobaric-acid", "target_label": "SAR-245408", "cosine_similarity": 0.2213320136070251 } }, { "source": "CID:129989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4065", "properties": { "id": "AQ-RA741-meprylcaine similarity", "source_label": "AQ-RA741", "target_label": "meprylcaine", "cosine_similarity": 0.2333590984344482 } }, { "source": "CID:73438899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "BOX-5-darinaparsin similarity", "source_label": "BOX-5", "target_label": "darinaparsin", "cosine_similarity": 0.191373661160469 } }, { "source": "CID:5320346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5865", "properties": { "id": "hydrocortisone-prednisone similarity", "source_label": "hydrocortisone", "target_label": "prednisone", "cosine_similarity": 0.5873715877532959 } }, { "source": "CID:2083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "salbutamol-polydatin similarity", "source_label": "salbutamol", "target_label": "polydatin", "cosine_similarity": 0.2639217972755432 } }, { "source": "CID:5240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "iodoacetic-acid-F-1566-0341 similarity", "source_label": "iodoacetic-acid", "target_label": "F-1566-0341", "cosine_similarity": 0.6547226309776306 } }, { "source": "CID:3735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "iopanoic-acid-fluticasone-propionate similarity", "source_label": "iopanoic-acid", "target_label": "fluticasone-propionate", "cosine_similarity": 0.3816897571086883 } }, { "source": "CID:5282272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "anandamide-actarit similarity", "source_label": "anandamide", "target_label": "actarit", "cosine_similarity": 0.4671507477760315 } }, { "source": "CID:11313361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "JNJ-16259685-VX-745 similarity", "source_label": "JNJ-16259685", "target_label": "VX-745", "cosine_similarity": 0.2396084815263748 } }, { "source": "CID:5324346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "fluvoxamine-lorcaserin similarity", "source_label": "fluvoxamine", "target_label": "lorcaserin", "cosine_similarity": 0.5252324342727661 } }, { "source": "CID:54654463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184097", "properties": { "id": "SA-1472542-SA-1938421 similarity", "source_label": "SA-1472542", "target_label": "SA-1938421", "cosine_similarity": 0.256846159696579 } }, { "source": "CID:60464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "sparfloxacin-benzbromarone similarity", "source_label": "sparfloxacin", "target_label": "benzbromarone", "cosine_similarity": 0.5631167888641357 } }, { "source": "CID:3194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "ebselen-glimepiride similarity", "source_label": "ebselen", "target_label": "glimepiride", "cosine_similarity": 0.3496168851852417 } }, { "source": "CID:124704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "pyrazinoylguanidine-PF-03084014 similarity", "source_label": "pyrazinoylguanidine", "target_label": "PF-03084014", "cosine_similarity": 0.5866138935089111 } }, { "source": "CID:4614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "oxaprozin-temozolomide similarity", "source_label": "oxaprozin", "target_label": "temozolomide", "cosine_similarity": 0.4558424353599548 } }, { "source": "CID:2064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "AG-957-NSC-3852 similarity", "source_label": "AG-957", "target_label": "NSC-3852", "cosine_similarity": 0.6600337028503418 } }, { "source": "CID:5040063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "PPT-PSH-028 similarity", "source_label": "PPT", "target_label": "PSH-028", "cosine_similarity": 0.1900285929441452 } }, { "source": "CID:65637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7028", "properties": { "id": "zatebradine-pseudoephedrine similarity", "source_label": "zatebradine", "target_label": "pseudoephedrine", "cosine_similarity": 0.2626590132713318 } }, { "source": "CID:91617630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "daprodustat-VU-0410183-2 similarity", "source_label": "daprodustat", "target_label": "VU-0410183-2", "cosine_similarity": 0.5201480388641357 } }, { "source": "CID:264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:188914", "properties": { "id": "sodium-butyrate-BD-1047 similarity", "source_label": "sodium-butyrate", "target_label": "BD-1047", "cosine_similarity": 0.2028437107801437 } }, { "source": "CID:54666825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4353886", "properties": { "id": "SA-1922111-FR-139317 similarity", "source_label": "SA-1922111", "target_label": "FR-139317", "cosine_similarity": 0.2464934736490249 } }, { "source": "CID:38409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5912039", "properties": { "id": "tienilic-acid-huperzine-a similarity", "source_label": "tienilic-acid", "target_label": "huperzine-a", "cosine_similarity": 0.2499115467071533 } }, { "source": "CID:5388962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "enalapril-pentoxifylline similarity", "source_label": "enalapril", "target_label": "pentoxifylline", "cosine_similarity": 0.421574205160141 } }, { "source": "CID:3651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "hydroxyamphetamine-butylated-hydroxytoluene similarity", "source_label": "hydroxyamphetamine", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.5517939329147339 } }, { "source": "CID:46902718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54677407", "properties": { "id": "KUC105208-robustic-acid similarity", "source_label": "KUC105208", "target_label": "robustic-acid", "cosine_similarity": 0.2659024000167846 } }, { "source": "CID:4173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "metronidazole-oprozomib similarity", "source_label": "metronidazole", "target_label": "oprozomib", "cosine_similarity": 0.3908331990242004 } }, { "source": "CID:4735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "pentamidine-bitopertin similarity", "source_label": "pentamidine", "target_label": "bitopertin", "cosine_similarity": 0.5313659310340881 } }, { "source": "CID:445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914657", "properties": { "id": "glucosamine-FK-866 similarity", "source_label": "glucosamine", "target_label": "FK-866", "cosine_similarity": 0.2678275406360626 } }, { "source": "CID:5487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18381", "properties": { "id": "tizanidine-dicloxacillin similarity", "source_label": "tizanidine", "target_label": "dicloxacillin", "cosine_similarity": 0.4188900291919708 } }, { "source": "CID:512292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2264", "properties": { "id": "iso-olomoucine-azasetron similarity", "source_label": "iso-olomoucine", "target_label": "azasetron", "cosine_similarity": 0.2233173102140426 } }, { "source": "CID:20507134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "isoxicam-JZL-184 similarity", "source_label": "isoxicam", "target_label": "JZL-184", "cosine_similarity": 0.2950526773929596 } }, { "source": "CID:2264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "azasetron-phenothiazine similarity", "source_label": "azasetron", "target_label": "phenothiazine", "cosine_similarity": 0.2805287539958954 } }, { "source": "CID:9796068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "iniparib-gliclazide similarity", "source_label": "iniparib", "target_label": "gliclazide", "cosine_similarity": 0.6668132543563843 } }, { "source": "CID:35026803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "CAY-10470-cyclosporin-a similarity", "source_label": "CAY-10470", "target_label": "cyclosporin-a", "cosine_similarity": 0.4770961999893188 } }, { "source": "CID:44483957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259136", "properties": { "id": "SA-424936-VU-0415010 similarity", "source_label": "SA-424936", "target_label": "VU-0415010", "cosine_similarity": 0.2953833937644958 } }, { "source": "CID:10401611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707538", "properties": { "id": "MC-1293-BG-1009 similarity", "source_label": "MC-1293", "target_label": "BG-1009", "cosine_similarity": 0.3101007044315338 } }, { "source": "CID:3627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867930", "properties": { "id": "homochlorcyclizine-RG-4733 similarity", "source_label": "homochlorcyclizine", "target_label": "RG-4733", "cosine_similarity": 0.3708442449569702 } }, { "source": "CID:872445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "oncrasin-1-erlotinib similarity", "source_label": "oncrasin-1", "target_label": "erlotinib", "cosine_similarity": 0.4930078089237213 } }, { "source": "CID:58573469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "AMG-232-R-547 similarity", "source_label": "AMG-232", "target_label": "R-547", "cosine_similarity": 0.4761048853397369 } }, { "source": "CID:9875401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "rivaroxaban-apocynin similarity", "source_label": "rivaroxaban", "target_label": "apocynin", "cosine_similarity": 0.4903089702129364 } }, { "source": "CID:6082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "methoxamine-TAK-715 similarity", "source_label": "methoxamine", "target_label": "TAK-715", "cosine_similarity": 0.2562303245067596 } }, { "source": "CID:2519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "caffeine-JNJ-38877605 similarity", "source_label": "caffeine", "target_label": "JNJ-38877605", "cosine_similarity": 0.3679884672164917 } }, { "source": "CID:9867642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82148", "properties": { "id": "laropiprant-agomelatine similarity", "source_label": "laropiprant", "target_label": "agomelatine", "cosine_similarity": 0.3003887236118316 } }, { "source": "CID:60857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2803", "properties": { "id": "zolmitriptan-clonidine similarity", "source_label": "zolmitriptan", "target_label": "clonidine", "cosine_similarity": 0.303739994764328 } }, { "source": "CID:44498186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1201549", "properties": { "id": "SD-6-035-B1-benzatropine similarity", "source_label": "SD-6-035-B1", "target_label": "benzatropine", "cosine_similarity": 0.2633448839187622 } }, { "source": "CID:47099517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ARG-CSC-18-FTI-276 similarity", "source_label": "ARG-CSC-18", "target_label": "FTI-276", "cosine_similarity": 0.316686064004898 } }, { "source": "CID:4216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "ML-7-NTNCB similarity", "source_label": "ML-7", "target_label": "NTNCB", "cosine_similarity": 0.3285968005657196 } }, { "source": "CID:9903786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "TPCA-1-vemurafenib similarity", "source_label": "TPCA-1", "target_label": "vemurafenib", "cosine_similarity": 0.6580280661582947 } }, { "source": "CID:44602406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5458428", "properties": { "id": "KU-C104131-cytochalasin-d similarity", "source_label": "KU-C104131", "target_label": "cytochalasin-d", "cosine_similarity": 0.2230150699615478 } }, { "source": "CID:22094941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135787369", "properties": { "id": "norcitalopram-BG-1020 similarity", "source_label": "norcitalopram", "target_label": "BG-1020", "cosine_similarity": 0.2178056836128235 } }, { "source": "CID:216210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "dabigatran-PD-98059 similarity", "source_label": "dabigatran", "target_label": "PD-98059", "cosine_similarity": 0.1938184052705764 } }, { "source": "CID:73707420", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "EI-247-thiazolopyrimidine similarity", "source_label": "EI-247", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2826137840747833 } }, { "source": "CID:2968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "decamethonium-doxazosin similarity", "source_label": "decamethonium", "target_label": "doxazosin", "cosine_similarity": 0.1428251564502716 } }, { "source": "CID:39147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "nadolol-DAC-004 similarity", "source_label": "nadolol", "target_label": "DAC-004", "cosine_similarity": 0.398863136768341 } }, { "source": "CID:57697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125564", "properties": { "id": "pemirolast-blonanserin similarity", "source_label": "pemirolast", "target_label": "blonanserin", "cosine_similarity": 0.3235153257846832 } }, { "source": "CID:2481", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65016", "properties": { "id": "butalbital-amprenavir similarity", "source_label": "butalbital", "target_label": "amprenavir", "cosine_similarity": 0.2723574042320251 } }, { "source": "CID:3735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "iopanoic-acid-dexamethasone similarity", "source_label": "iopanoic-acid", "target_label": "dexamethasone", "cosine_similarity": 0.3998713195323944 } }, { "source": "CID:5284585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "loracarbef-iniparib similarity", "source_label": "loracarbef", "target_label": "iniparib", "cosine_similarity": 0.2519243061542511 } }, { "source": "CID:10127622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "selumetinib-PD-184352 similarity", "source_label": "selumetinib", "target_label": "PD-184352", "cosine_similarity": 0.860030472278595 } }, { "source": "CID:3307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "etizolam-gatifloxacin similarity", "source_label": "etizolam", "target_label": "gatifloxacin", "cosine_similarity": 0.3630068898200989 } }, { "source": "CID:73707482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12801781", "properties": { "id": "vancomycin-imipenem similarity", "source_label": "vancomycin", "target_label": "imipenem", "cosine_similarity": 0.2333624064922332 } }, { "source": "CID:18755269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "SDZ-WAG-994-MW-MITF28 similarity", "source_label": "SDZ-WAG-994", "target_label": "MW-MITF28", "cosine_similarity": 0.269167959690094 } }, { "source": "CID:8029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "furan-anethole similarity", "source_label": "furan", "target_label": "anethole", "cosine_similarity": 0.3243830800056457 } }, { "source": "CID:10077147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "BX-795-BML-259 similarity", "source_label": "BX-795", "target_label": "BML-259", "cosine_similarity": 0.4685007929801941 } }, { "source": "CID:216305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "alagebrium-histamine similarity", "source_label": "alagebrium", "target_label": "histamine", "cosine_similarity": 0.4292621612548828 } }, { "source": "CID:695347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "ST-4039884-diethylcarbamazine similarity", "source_label": "ST-4039884", "target_label": "diethylcarbamazine", "cosine_similarity": 0.2896201312541961 } }, { "source": "CID:9927768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6435415", "properties": { "id": "tenoxicam-cilastatin similarity", "source_label": "tenoxicam", "target_label": "cilastatin", "cosine_similarity": 0.3056990802288055 } }, { "source": "CID:363863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "maackiain-VU-0405172-2 similarity", "source_label": "maackiain", "target_label": "VU-0405172-2", "cosine_similarity": 0.3301901221275329 } }, { "source": "CID:49843106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869940", "properties": { "id": "ARG-CSC-26-VU-0415374-1 similarity", "source_label": "ARG-CSC-26", "target_label": "VU-0415374-1", "cosine_similarity": 0.2652129232883453 } }, { "source": "CID:14520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4760", "properties": { "id": "citiolone-phenindione similarity", "source_label": "citiolone", "target_label": "phenindione", "cosine_similarity": 0.2854800224304199 } }, { "source": "CID:134117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "BP-554-fumonisin-b1 similarity", "source_label": "BP-554", "target_label": "fumonisin-b1", "cosine_similarity": 0.3343940079212188 } }, { "source": "CID:5353633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "farnesylthiotriazole-MDL-28170 similarity", "source_label": "farnesylthiotriazole", "target_label": "MDL-28170", "cosine_similarity": 0.1977113187313079 } }, { "source": "CID:11978813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "brexpiprazole-oxatomide similarity", "source_label": "brexpiprazole", "target_label": "oxatomide", "cosine_similarity": 0.4457345306873321 } }, { "source": "CID:54659344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "SA-1457415-SA-441092 similarity", "source_label": "SA-1457415", "target_label": "SA-441092", "cosine_similarity": 0.3701049089431762 } }, { "source": "CID:5281222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "butein-K784-3131 similarity", "source_label": "butein", "target_label": "K784-3131", "cosine_similarity": 0.6626596450805664 } }, { "source": "CID:60753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "ibutilide-vandetanib similarity", "source_label": "ibutilide", "target_label": "vandetanib", "cosine_similarity": 0.2771813571453094 } }, { "source": "CID:44601470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "KUC103893N-tenoxicam similarity", "source_label": "KUC103893N", "target_label": "tenoxicam", "cosine_similarity": 0.2514170408248901 } }, { "source": "CID:167551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "anacardic-acid-UNC-1215 similarity", "source_label": "anacardic-acid", "target_label": "UNC-1215", "cosine_similarity": 0.482844203710556 } }, { "source": "CID:6890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "gramine-ajmaline similarity", "source_label": "gramine", "target_label": "ajmaline", "cosine_similarity": 0.6169624924659729 } }, { "source": "CID:2724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "chlorphensin-Gly-Gly-PALO similarity", "source_label": "chlorphensin", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2567216157913208 } }, { "source": "CID:4369524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "tanaproget-rottlerin similarity", "source_label": "tanaproget", "target_label": "rottlerin", "cosine_similarity": 0.3611184060573578 } }, { "source": "CID:4184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "mianserin-diclofenac similarity", "source_label": "mianserin", "target_label": "diclofenac", "cosine_similarity": 0.3404674232006073 } }, { "source": "CID:2125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446156", "properties": { "id": "AM-251-cerivastatin similarity", "source_label": "AM-251", "target_label": "cerivastatin", "cosine_similarity": 0.2463939934968948 } }, { "source": "CID:3016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4688", "properties": { "id": "diazepam-pargyline similarity", "source_label": "diazepam", "target_label": "pargyline", "cosine_similarity": 0.288872480392456 } }, { "source": "CID:1537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856436", "properties": { "id": "thioguanine-MK-1775 similarity", "source_label": "thioguanine", "target_label": "MK-1775", "cosine_similarity": 0.3487207591533661 } }, { "source": "CID:3448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "gaboxadol-cisapride similarity", "source_label": "gaboxadol", "target_label": "cisapride", "cosine_similarity": 0.3596680164337158 } }, { "source": "CID:44623845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "KU-C104226-SA-96816 similarity", "source_label": "KU-C104226", "target_label": "SA-96816", "cosine_similarity": 0.2226247042417526 } }, { "source": "CID:1683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "bemesetron-VU-0405172-2 similarity", "source_label": "bemesetron", "target_label": "VU-0405172-2", "cosine_similarity": 0.2968680262565613 } }, { "source": "CID:54669111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46903876", "properties": { "id": "SA-1921614-SD-6-035-A12 similarity", "source_label": "SA-1921614", "target_label": "SD-6-035-A12", "cosine_similarity": 0.2888572216033935 } }, { "source": "CID:4381125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "K784-3131-EMF-sumo1-39 similarity", "source_label": "K784-3131", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7588807344436646 } }, { "source": "CID:25062766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "CYT-387-R-547 similarity", "source_label": "CYT-387", "target_label": "R-547", "cosine_similarity": 0.5003145933151245 } }, { "source": "CID:3796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "KIN001-055-mepivacaine similarity", "source_label": "KIN001-055", "target_label": "mepivacaine", "cosine_similarity": 0.6252604126930237 } }, { "source": "CID:453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:182593", "properties": { "id": "mannitol-RS-23597-190 similarity", "source_label": "mannitol", "target_label": "RS-23597-190", "cosine_similarity": 0.329130083322525 } }, { "source": "CID:9913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "xanthinol-myriocin similarity", "source_label": "xanthinol", "target_label": "myriocin", "cosine_similarity": 0.2411691546440124 } }, { "source": "CID:4740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "pentoxifylline-Gossypetin similarity", "source_label": "pentoxifylline", "target_label": "Gossypetin", "cosine_similarity": 0.4093682467937469 } }, { "source": "CID:16793302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1016-BML-210 similarity", "source_label": "BG-1016", "target_label": "BML-210", "cosine_similarity": 0.6763204336166382 } }, { "source": "CID:54658744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498994", "properties": { "id": "SA-1455938-SA-96835 similarity", "source_label": "SA-1455938", "target_label": "SA-96835", "cosine_similarity": 0.3981314301490783 } }, { "source": "CID:44593869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "KU-C103884-myricetin similarity", "source_label": "KU-C103884", "target_label": "myricetin", "cosine_similarity": 0.2743224501609802 } }, { "source": "CID:361510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "emodic-acid-topotecan similarity", "source_label": "emodic-acid", "target_label": "topotecan", "cosine_similarity": 0.3321183323860168 } }, { "source": "CID:5742673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "cefotaxime-ML-161 similarity", "source_label": "cefotaxime", "target_label": "ML-161", "cosine_similarity": 0.3418897092342376 } }, { "source": "CID:91486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "safingol-GDC-0199 similarity", "source_label": "safingol", "target_label": "GDC-0199", "cosine_similarity": 0.3171162903308868 } }, { "source": "CID:9616928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747193", "properties": { "id": "MW-MITF24-JAS07-005 similarity", "source_label": "MW-MITF24", "target_label": "JAS07-005", "cosine_similarity": 0.3338155448436737 } }, { "source": "CID:6253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "cytarabine-clofarabine similarity", "source_label": "cytarabine", "target_label": "clofarabine", "cosine_similarity": 0.6336542963981628 } }, { "source": "CID:3749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "irbesartan-miglustat similarity", "source_label": "irbesartan", "target_label": "miglustat", "cosine_similarity": 0.4194990992546081 } }, { "source": "CID:16760692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "U-0124-pepstatin similarity", "source_label": "U-0124", "target_label": "pepstatin", "cosine_similarity": 0.4513393938541412 } }, { "source": "CID:2765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3036864", "properties": { "id": "cirazoline-SCH-23390 similarity", "source_label": "cirazoline", "target_label": "SCH-23390", "cosine_similarity": 0.2235393673181533 } }, { "source": "CID:5310966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "varenicline-fexofenadine similarity", "source_label": "varenicline", "target_label": "fexofenadine", "cosine_similarity": 0.4099498689174652 } }, { "source": "CID:46885626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16722836", "properties": { "id": "GSK-1070916-TG-101348 similarity", "source_label": "GSK-1070916", "target_label": "TG-101348", "cosine_similarity": 0.4298273622989654 } }, { "source": "CID:446378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "thapsigargin-cyclosporin-a similarity", "source_label": "thapsigargin", "target_label": "cyclosporin-a", "cosine_similarity": 0.6850333213806152 } }, { "source": "CID:3394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "flurbiprofen-ML-161 similarity", "source_label": "flurbiprofen", "target_label": "ML-161", "cosine_similarity": 0.3148948550224304 } }, { "source": "CID:71655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2708", "properties": { "id": "moroxydine-chlorambucil similarity", "source_label": "moroxydine", "target_label": "chlorambucil", "cosine_similarity": 0.2055260390043258 } }, { "source": "CID:16219259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "depudecin-SA-247714 similarity", "source_label": "depudecin", "target_label": "SA-247714", "cosine_similarity": 0.3266732394695282 } }, { "source": "CID:53359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3579925", "properties": { "id": "tolrestat-PHCCC similarity", "source_label": "tolrestat", "target_label": "PHCCC", "cosine_similarity": 0.201051115989685 } }, { "source": "CID:11497983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "barasertib-triprolidine similarity", "source_label": "barasertib", "target_label": "triprolidine", "cosine_similarity": 0.2481976300477981 } }, { "source": "CID:681615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133538", "properties": { "id": "KDM-096-SKF-83959 similarity", "source_label": "KDM-096", "target_label": "SKF-83959", "cosine_similarity": 0.2345893085002899 } }, { "source": "CID:73078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "tetrandrine-trifluoperazine similarity", "source_label": "tetrandrine", "target_label": "trifluoperazine", "cosine_similarity": 0.6851637959480286 } }, { "source": "CID:3356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "flecainide-metixene similarity", "source_label": "flecainide", "target_label": "metixene", "cosine_similarity": 0.3960300981998443 } }, { "source": "CID:650361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "ASN-05257430-AR-C133057XX similarity", "source_label": "ASN-05257430", "target_label": "AR-C133057XX", "cosine_similarity": 0.5275378227233887 } }, { "source": "CID:54660174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-1458610-SA-434027 similarity", "source_label": "SA-1458610", "target_label": "SA-434027", "cosine_similarity": 0.3580785691738128 } }, { "source": "CID:24772043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "tenovin-6-GR-127935 similarity", "source_label": "tenovin-6", "target_label": "GR-127935", "cosine_similarity": 0.5281825661659241 } }, { "source": "CID:59588070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "JNK-9L-AG-14361 similarity", "source_label": "JNK-9L", "target_label": "AG-14361", "cosine_similarity": 0.6514230966567993 } }, { "source": "CID:35802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40839", "properties": { "id": "flubendazole-vindesine similarity", "source_label": "flubendazole", "target_label": "vindesine", "cosine_similarity": 0.6169106960296631 } }, { "source": "CID:53245442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "TUL-XX025TFA-zebularine similarity", "source_label": "TUL-XX025TFA", "target_label": "zebularine", "cosine_similarity": 0.3733839690685272 } }, { "source": "CID:46191176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "aminoresveratrol-ITSA-1 similarity", "source_label": "aminoresveratrol", "target_label": "ITSA-1", "cosine_similarity": 0.3051766753196716 } }, { "source": "CID:1348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288209", "properties": { "id": "MY-5445-fenretinide similarity", "source_label": "MY-5445", "target_label": "fenretinide", "cosine_similarity": 0.2756277322769165 } }, { "source": "CID:15224271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2405", "properties": { "id": "anidulafungin-bisoprolol similarity", "source_label": "anidulafungin", "target_label": "bisoprolol", "cosine_similarity": 0.3680243492126465 } }, { "source": "CID:6710776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "nomilin-serotonin similarity", "source_label": "nomilin", "target_label": "serotonin", "cosine_similarity": 0.2888289093971252 } }, { "source": "CID:67135703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "KIN001-260-KIN001-269 similarity", "source_label": "KIN001-260", "target_label": "KIN001-269", "cosine_similarity": 0.5236577987670898 } }, { "source": "CID:5153532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1133083", "properties": { "id": "BG-1021-BG-1013 similarity", "source_label": "BG-1021", "target_label": "BG-1013", "cosine_similarity": 0.2974008321762085 } }, { "source": "CID:1549000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44511091", "properties": { "id": "levocetirizine-formestane similarity", "source_label": "levocetirizine", "target_label": "formestane", "cosine_similarity": 0.4852494597434997 } }, { "source": "CID:54668813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484592", "properties": { "id": "SA-1921816-SA-424534 similarity", "source_label": "SA-1921816", "target_label": "SA-424534", "cosine_similarity": 0.3779064416885376 } }, { "source": "CID:2019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "actinomycin-d-PIK-75 similarity", "source_label": "actinomycin-d", "target_label": "PIK-75", "cosine_similarity": 0.7417827844619751 } }, { "source": "CID:4066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3822", "properties": { "id": "levomequitazine-ketanserin similarity", "source_label": "levomequitazine", "target_label": "ketanserin", "cosine_similarity": 0.3059279918670654 } }, { "source": "CID:1285940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "C-646-pifithrin-mu similarity", "source_label": "C-646", "target_label": "pifithrin-mu", "cosine_similarity": 0.5643949508666992 } }, { "source": "CID:91654625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5327", "properties": { "id": "BAZ2-ICR-sulfadimidine similarity", "source_label": "BAZ2-ICR", "target_label": "sulfadimidine", "cosine_similarity": 0.2924044132232666 } }, { "source": "CID:22049997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "PH-797804-meclizine similarity", "source_label": "PH-797804", "target_label": "meclizine", "cosine_similarity": 0.3292144238948822 } }, { "source": "CID:134780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "pomalidomide-diphenidol similarity", "source_label": "pomalidomide", "target_label": "diphenidol", "cosine_similarity": 0.3852366507053375 } }, { "source": "CID:6759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "riboflavin-fumonisin-b1 similarity", "source_label": "riboflavin", "target_label": "fumonisin-b1", "cosine_similarity": 0.2783915400505066 } }, { "source": "CID:46898058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1176", "properties": { "id": "GSK-923295-urea similarity", "source_label": "GSK-923295", "target_label": "urea", "cosine_similarity": 0.3672283291816711 } }, { "source": "CID:44502578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505490", "properties": { "id": "SA-244358-SA-419172 similarity", "source_label": "SA-244358", "target_label": "SA-419172", "cosine_similarity": 0.4094406962394714 } }, { "source": "CID:5497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65863", "properties": { "id": "nikethamide-sertaconazole similarity", "source_label": "nikethamide", "target_label": "sertaconazole", "cosine_similarity": 0.3971758782863617 } }, { "source": "CID:44500308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60189692", "properties": { "id": "SA-243193-SA-1938740 similarity", "source_label": "SA-243193", "target_label": "SA-1938740", "cosine_similarity": 0.2613033950328827 } }, { "source": "CID:2355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "bergapten-amidopyrine similarity", "source_label": "bergapten", "target_label": "amidopyrine", "cosine_similarity": 0.7774559855461121 } }, { "source": "CID:73707617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10932412", "properties": { "id": "glutamyldopamine-6-nitrodopamine similarity", "source_label": "glutamyldopamine", "target_label": "6-nitrodopamine", "cosine_similarity": 0.2751102447509765 } }, { "source": "CID:5278396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "KU-55933-ME-0328 similarity", "source_label": "KU-55933", "target_label": "ME-0328", "cosine_similarity": 0.3815246522426605 } }, { "source": "CID:44503242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "SA-244587-PRIMA1 similarity", "source_label": "SA-244587", "target_label": "PRIMA1", "cosine_similarity": 0.3447275161743164 } }, { "source": "CID:134551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8616", "properties": { "id": "ergocryptine-peucedanin similarity", "source_label": "ergocryptine", "target_label": "peucedanin", "cosine_similarity": 0.2661994397640228 } }, { "source": "CID:6758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "rotenone-CYT-997 similarity", "source_label": "rotenone", "target_label": "CYT-997", "cosine_similarity": 0.6073422431945801 } }, { "source": "CID:2392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "pibenzimol-mecamylamine similarity", "source_label": "pibenzimol", "target_label": "mecamylamine", "cosine_similarity": 0.3424726724624634 } }, { "source": "CID:44502203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-101686-SA-89735 similarity", "source_label": "SA-101686", "target_label": "SA-89735", "cosine_similarity": 0.6404572129249573 } }, { "source": "CID:11507802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3854666", "properties": { "id": "LY-2183240-SB-225002 similarity", "source_label": "LY-2183240", "target_label": "SB-225002", "cosine_similarity": 0.6190861463546753 } }, { "source": "CID:2081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "alaproclate-emedastine similarity", "source_label": "alaproclate", "target_label": "emedastine", "cosine_similarity": 0.5346607565879822 } }, { "source": "CID:10212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45358132", "properties": { "id": "imperatorin-icariin similarity", "source_label": "imperatorin", "target_label": "icariin", "cosine_similarity": 0.2468175441026687 } }, { "source": "CID:1046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "pyrazinamide-repaglinide similarity", "source_label": "pyrazinamide", "target_label": "repaglinide", "cosine_similarity": 0.3543502986431122 } }, { "source": "CID:108092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "DPPE-MDL-28170 similarity", "source_label": "DPPE", "target_label": "MDL-28170", "cosine_similarity": 0.3091825842857361 } }, { "source": "CID:6018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10117987", "properties": { "id": "tetrabenazine-preladenant similarity", "source_label": "tetrabenazine", "target_label": "preladenant", "cosine_similarity": 0.2408167719841003 } }, { "source": "CID:1989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178", "properties": { "id": "acetohexamide-acetamide similarity", "source_label": "acetohexamide", "target_label": "acetamide", "cosine_similarity": 0.1982552707195282 } }, { "source": "CID:54658692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659817", "properties": { "id": "SA-1458163-SA-1460032 similarity", "source_label": "SA-1458163", "target_label": "SA-1460032", "cosine_similarity": 0.2521351277828216 } }, { "source": "CID:16734800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "LXR-623-alizapride similarity", "source_label": "LXR-623", "target_label": "alizapride", "cosine_similarity": 0.3653410077095032 } }, { "source": "CID:6918508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28693", "properties": { "id": "BIBX-1382-metergoline similarity", "source_label": "BIBX-1382", "target_label": "metergoline", "cosine_similarity": 0.4390147030353546 } }, { "source": "CID:3326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107967", "properties": { "id": "famprofazone-FK-888 similarity", "source_label": "famprofazone", "target_label": "FK-888", "cosine_similarity": 0.2435545772314071 } }, { "source": "CID:9927768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "tenoxicam-Gossypetin similarity", "source_label": "tenoxicam", "target_label": "Gossypetin", "cosine_similarity": 0.3347647190093994 } }, { "source": "CID:180933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "chrysenequinone-NSC-3852 similarity", "source_label": "chrysenequinone", "target_label": "NSC-3852", "cosine_similarity": 0.6718615889549255 } }, { "source": "CID:32170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "articaine-FTI-276 similarity", "source_label": "articaine", "target_label": "FTI-276", "cosine_similarity": 0.3628805577754974 } }, { "source": "CID:941650", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "thiothixene-BIBU-1361 similarity", "source_label": "thiothixene", "target_label": "BIBU-1361", "cosine_similarity": 0.4821097254753113 } }, { "source": "CID:71657455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3275", "properties": { "id": "ivosidenib-etafenone similarity", "source_label": "ivosidenib", "target_label": "etafenone", "cosine_similarity": 0.2382401823997497 } }, { "source": "CID:5926218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "RG-14620-macitentan similarity", "source_label": "RG-14620", "target_label": "macitentan", "cosine_similarity": 0.2604109346866607 } }, { "source": "CID:44601476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657695", "properties": { "id": "KU-C103904N-SA-1973497 similarity", "source_label": "KU-C103904N", "target_label": "SA-1973497", "cosine_similarity": 0.268969863653183 } }, { "source": "CID:73707407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "doxercalciferol-hemado similarity", "source_label": "doxercalciferol", "target_label": "hemado", "cosine_similarity": 0.262337863445282 } }, { "source": "CID:6710772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "lysylphenylalanyl-tyrosine-NU-1025 similarity", "source_label": "lysylphenylalanyl-tyrosine", "target_label": "NU-1025", "cosine_similarity": 0.2779674232006073 } }, { "source": "CID:6450813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59227", "properties": { "id": "indiplon-rotigotine similarity", "source_label": "indiplon", "target_label": "rotigotine", "cosine_similarity": 0.3298101723194122 } }, { "source": "CID:3796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "KIN001-055-inositol similarity", "source_label": "KIN001-055", "target_label": "inositol", "cosine_similarity": 0.6467994451522827 } }, { "source": "CID:442428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "naringin-myricetin similarity", "source_label": "naringin", "target_label": "myricetin", "cosine_similarity": 0.2980498671531677 } }, { "source": "CID:3503044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "dihydroobliquin-topiramate similarity", "source_label": "dihydroobliquin", "target_label": "topiramate", "cosine_similarity": 0.2428507059812545 } }, { "source": "CID:12385463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "KU-C103670-PSH-028 similarity", "source_label": "KU-C103670", "target_label": "PSH-028", "cosine_similarity": 0.2848676443099975 } }, { "source": "CID:60187506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44617231", "properties": { "id": "SA-1937516-SA-424371 similarity", "source_label": "SA-1937516", "target_label": "SA-424371", "cosine_similarity": 0.2554433047771454 } }, { "source": "CID:73707543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707535", "properties": { "id": "BG-1025-BG-1006 similarity", "source_label": "BG-1025", "target_label": "BG-1006", "cosine_similarity": 0.4133722186088562 } }, { "source": "CID:44187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "cefoperazone-CGS-21680 similarity", "source_label": "cefoperazone", "target_label": "CGS-21680", "cosine_similarity": 0.4089268445968628 } }, { "source": "CID:73707453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:392622", "properties": { "id": "benzathine-ritonavir similarity", "source_label": "benzathine", "target_label": "ritonavir", "cosine_similarity": 0.1742280572652816 } }, { "source": "CID:3825829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104956", "properties": { "id": "mdivi-1-SKF-96365 similarity", "source_label": "mdivi-1", "target_label": "SKF-96365", "cosine_similarity": 0.3496842980384826 } }, { "source": "CID:60726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5316606", "properties": { "id": "bromfenac-piceid similarity", "source_label": "bromfenac", "target_label": "piceid", "cosine_similarity": 0.2779990434646606 } }, { "source": "CID:24785538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "BMS-754807-PP-110 similarity", "source_label": "BMS-754807", "target_label": "PP-110", "cosine_similarity": 0.7074911594390869 } }, { "source": "CID:2803059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377448", "properties": { "id": "CD-00491SC-ML-281 similarity", "source_label": "CD-00491SC", "target_label": "ML-281", "cosine_similarity": 0.1927482038736343 } }, { "source": "CID:11615393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "telmesteine-pravastatin similarity", "source_label": "telmesteine", "target_label": "pravastatin", "cosine_similarity": 0.3279362618923187 } }, { "source": "CID:4421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "nalidixic-acid-alaproclate similarity", "source_label": "nalidixic-acid", "target_label": "alaproclate", "cosine_similarity": 0.2922064065933227 } }, { "source": "CID:5702199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64981", "properties": { "id": "antimycin-a-arctigenin similarity", "source_label": "antimycin-a", "target_label": "arctigenin", "cosine_similarity": 0.3321799337863922 } }, { "source": "CID:73707612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886614", "properties": { "id": "BG-1015-BG-1018 similarity", "source_label": "BG-1015", "target_label": "BG-1018", "cosine_similarity": 0.2914835512638092 } }, { "source": "CID:54614984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-434027-SA-1458610 similarity", "source_label": "SA-434027", "target_label": "SA-1458610", "cosine_similarity": 0.3580785691738128 } }, { "source": "CID:3248571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318562", "properties": { "id": "SB-258585-isoeugenol similarity", "source_label": "SB-258585", "target_label": "isoeugenol", "cosine_similarity": 0.2234612107276916 } }, { "source": "CID:57495783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "deforolimus-sirolimus similarity", "source_label": "deforolimus", "target_label": "sirolimus", "cosine_similarity": 0.8481098413467407 } }, { "source": "CID:695347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "ST-4039884-PT-630 similarity", "source_label": "ST-4039884", "target_label": "PT-630", "cosine_similarity": 0.2783622145652771 } }, { "source": "CID:9705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2775510", "properties": { "id": "AY-9944-wiskostatin similarity", "source_label": "AY-9944", "target_label": "wiskostatin", "cosine_similarity": 0.4602616131305694 } }, { "source": "CID:73707524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "stanozolol-macitentan similarity", "source_label": "stanozolol", "target_label": "macitentan", "cosine_similarity": 0.2436648309230804 } }, { "source": "CID:3343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "fenoterol-rutin similarity", "source_label": "fenoterol", "target_label": "rutin", "cosine_similarity": 0.3283904790878296 } }, { "source": "CID:176408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445580", "properties": { "id": "SCH-58261-doconexent similarity", "source_label": "SCH-58261", "target_label": "doconexent", "cosine_similarity": 0.4963545799255371 } }, { "source": "CID:51576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "acifran-tiapride similarity", "source_label": "acifran", "target_label": "tiapride", "cosine_similarity": 0.4548656046390533 } }, { "source": "CID:9956637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "PD-198306-neratinib similarity", "source_label": "PD-198306", "target_label": "neratinib", "cosine_similarity": 0.6468372941017151 } }, { "source": "CID:60186824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488016", "properties": { "id": "SA-1938820-SA-94315 similarity", "source_label": "SA-1938820", "target_label": "SA-94315", "cosine_similarity": 0.3832086324691772 } }, { "source": "CID:2722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085416", "properties": { "id": "chloroxine-ivermectin similarity", "source_label": "chloroxine", "target_label": "ivermectin", "cosine_similarity": 0.4296182990074157 } }, { "source": "CID:135565181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "IOWH-032-PSI-6130 similarity", "source_label": "IOWH-032", "target_label": "PSI-6130", "cosine_similarity": 0.2757620513439178 } }, { "source": "CID:15604015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "ABC-294640-inositol similarity", "source_label": "ABC-294640", "target_label": "inositol", "cosine_similarity": 0.3947643637657165 } }, { "source": "CID:3406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "fomepizole-tiapride similarity", "source_label": "fomepizole", "target_label": "tiapride", "cosine_similarity": 0.5304698944091797 } }, { "source": "CID:10291556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "meloxicam-valsartan similarity", "source_label": "meloxicam", "target_label": "valsartan", "cosine_similarity": 0.4044674634933471 } }, { "source": "CID:35802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "flubendazole-vinblastine similarity", "source_label": "flubendazole", "target_label": "vinblastine", "cosine_similarity": 0.600473940372467 } }, { "source": "CID:44485323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SA-86418-gossypin similarity", "source_label": "SA-86418", "target_label": "gossypin", "cosine_similarity": 0.2472738772630691 } }, { "source": "CID:73707395", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "rhizocarpic-acid-alfuzosin similarity", "source_label": "rhizocarpic-acid", "target_label": "alfuzosin", "cosine_similarity": 0.2309892326593399 } }, { "source": "CID:363863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "maackiain-KU-C104140 similarity", "source_label": "maackiain", "target_label": "KU-C104140", "cosine_similarity": 0.3371618092060089 } }, { "source": "CID:15387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "melperone-emedastine similarity", "source_label": "melperone", "target_label": "emedastine", "cosine_similarity": 0.2526611089706421 } }, { "source": "CID:176158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707373", "properties": { "id": "SB-216763-COT-10b similarity", "source_label": "SB-216763", "target_label": "COT-10b", "cosine_similarity": 0.6164031624794006 } }, { "source": "CID:9939609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548953", "properties": { "id": "darapladib-clomifene similarity", "source_label": "darapladib", "target_label": "clomifene", "cosine_similarity": 0.2928564250469208 } }, { "source": "CID:5452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134141", "properties": { "id": "thioridazine-fluphenazine similarity", "source_label": "thioridazine", "target_label": "fluphenazine", "cosine_similarity": 0.6361038088798523 } }, { "source": "CID:2830510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "salubrinal-KU-C104337 similarity", "source_label": "salubrinal", "target_label": "KU-C104337", "cosine_similarity": 0.3144602179527282 } }, { "source": "CID:1046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "pyrazinamide-marbofloxacin similarity", "source_label": "pyrazinamide", "target_label": "marbofloxacin", "cosine_similarity": 0.3399159908294678 } }, { "source": "CID:439246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "naringenin-entecavir similarity", "source_label": "naringenin", "target_label": "entecavir", "cosine_similarity": 0.3842646777629852 } }, { "source": "CID:20279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "cladribine-gemcitabine similarity", "source_label": "cladribine", "target_label": "gemcitabine", "cosine_similarity": 0.7472633719444275 } }, { "source": "CID:443423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "cromakalim-EMF-csc-9 similarity", "source_label": "cromakalim", "target_label": "EMF-csc-9", "cosine_similarity": 0.2893990874290466 } }, { "source": "CID:49766549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "TL-HRAS-27-cyclizine similarity", "source_label": "TL-HRAS-27", "target_label": "cyclizine", "cosine_similarity": 0.2155745774507522 } }, { "source": "CID:10377751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "AS-605240-PD-98059 similarity", "source_label": "AS-605240", "target_label": "PD-98059", "cosine_similarity": 0.4637076258659363 } }, { "source": "CID:6453092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "isorotenone-COL-3 similarity", "source_label": "isorotenone", "target_label": "COL-3", "cosine_similarity": 0.2992190718650818 } }, { "source": "CID:11667893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "motesanib-topiramate similarity", "source_label": "motesanib", "target_label": "topiramate", "cosine_similarity": 0.4103091359138489 } }, { "source": "CID:1554210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "CFTRinh-172-JNJ-38877605 similarity", "source_label": "CFTRinh-172", "target_label": "JNJ-38877605", "cosine_similarity": 0.17753267288208 } }, { "source": "CID:67946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "fluoropyruvate-thiazolopyrimidine similarity", "source_label": "fluoropyruvate", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.5411211848258972 } }, { "source": "CID:66265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:137", "properties": { "id": "dexfenfluramine-aminolevulinic-acid similarity", "source_label": "dexfenfluramine", "target_label": "aminolevulinic-acid", "cosine_similarity": 0.4854194819927215 } }, { "source": "CID:44487665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54615019", "properties": { "id": "SA-85377-SA-424827 similarity", "source_label": "SA-85377", "target_label": "SA-424827", "cosine_similarity": 0.3133379518985748 } }, { "source": "CID:5560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24831714", "properties": { "id": "trichlormethiazide-sotagliflozin similarity", "source_label": "trichlormethiazide", "target_label": "sotagliflozin", "cosine_similarity": 0.1724409013986587 } }, { "source": "CID:5401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "terazosin-PT-630 similarity", "source_label": "terazosin", "target_label": "PT-630", "cosine_similarity": 0.2936356365680694 } }, { "source": "CID:4534086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "KB-R7943-thioridazine similarity", "source_label": "KB-R7943", "target_label": "thioridazine", "cosine_similarity": 0.6229642629623413 } }, { "source": "CID:42617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108137", "properties": { "id": "clavulanic-acid-SCH-28080 similarity", "source_label": "clavulanic-acid", "target_label": "SCH-28080", "cosine_similarity": 0.2306983768939972 } }, { "source": "CID:65628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "bendamustine-acifran similarity", "source_label": "bendamustine", "target_label": "acifran", "cosine_similarity": 0.328957587480545 } }, { "source": "CID:107780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "GR-127935-obatoclax similarity", "source_label": "GR-127935", "target_label": "obatoclax", "cosine_similarity": 0.6698845028877258 } }, { "source": "CID:73707400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44617231", "properties": { "id": "SA-1460136-SA-424371 similarity", "source_label": "SA-1460136", "target_label": "SA-424371", "cosine_similarity": 0.3237117230892181 } }, { "source": "CID:46893585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "AZD-3514-clofarabine similarity", "source_label": "AZD-3514", "target_label": "clofarabine", "cosine_similarity": 0.3845874071121216 } }, { "source": "CID:6256", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "trifluridine-gemcitabine similarity", "source_label": "trifluridine", "target_label": "gemcitabine", "cosine_similarity": 0.5669410824775696 } }, { "source": "CID:16656685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "danegaptide-yohimbine similarity", "source_label": "danegaptide", "target_label": "yohimbine", "cosine_similarity": 0.613150954246521 } }, { "source": "CID:25124826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "PSB-06126-rolipram similarity", "source_label": "PSB-06126", "target_label": "rolipram", "cosine_similarity": 0.2558546960353851 } }, { "source": "CID:3454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "ganciclovir-PSI-6130 similarity", "source_label": "ganciclovir", "target_label": "PSI-6130", "cosine_similarity": 0.2748394310474396 } }, { "source": "CID:51348735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "hyperforin-AG-879 similarity", "source_label": "hyperforin", "target_label": "AG-879", "cosine_similarity": 0.5378881096839905 } }, { "source": "CID:6857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "quinisocaine-DAC-009 similarity", "source_label": "quinisocaine", "target_label": "DAC-009", "cosine_similarity": 0.2349593490362167 } }, { "source": "CID:6710736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "troxerutin-6-chloromelatonin similarity", "source_label": "troxerutin", "target_label": "6-chloromelatonin", "cosine_similarity": 0.3723747730255127 } }, { "source": "CID:24864821", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3600", "properties": { "id": "AMG-208-miltefosine similarity", "source_label": "AMG-208", "target_label": "miltefosine", "cosine_similarity": 0.310732901096344 } }, { "source": "CID:3826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "ketorolac-vinburnine similarity", "source_label": "ketorolac", "target_label": "vinburnine", "cosine_similarity": 0.5437947511672974 } }, { "source": "CID:5702090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "naloxone-PT-630 similarity", "source_label": "naloxone", "target_label": "PT-630", "cosine_similarity": 0.4015613496303558 } }, { "source": "CID:46209426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "thiazovivin-sorafenib similarity", "source_label": "thiazovivin", "target_label": "sorafenib", "cosine_similarity": 0.247379183769226 } }, { "source": "CID:60186824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483393", "properties": { "id": "SA-1938820-SA-85901 similarity", "source_label": "SA-1938820", "target_label": "SA-85901", "cosine_similarity": 0.2533546388149261 } }, { "source": "CID:5426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "thalidomide-serotonin similarity", "source_label": "thalidomide", "target_label": "serotonin", "cosine_similarity": 0.4909230768680572 } }, { "source": "CID:44484592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666790", "properties": { "id": "SA-424534-SA-1919918 similarity", "source_label": "SA-424534", "target_label": "SA-1919918", "cosine_similarity": 0.2641253173351288 } }, { "source": "CID:156419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9853053", "properties": { "id": "cinacalcet-lomitapide similarity", "source_label": "cinacalcet", "target_label": "lomitapide", "cosine_similarity": 0.2220026552677154 } }, { "source": "CID:2583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66654", "properties": { "id": "carteolol-xanthoxyline similarity", "source_label": "carteolol", "target_label": "xanthoxyline", "cosine_similarity": 0.2565901577472687 } }, { "source": "CID:115113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44199317", "properties": { "id": "L-701324-AZD-2461 similarity", "source_label": "L-701324", "target_label": "AZD-2461", "cosine_similarity": 0.2864741086959839 } }, { "source": "CID:73707535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1006-BG-1003 similarity", "source_label": "BG-1006", "target_label": "BG-1003", "cosine_similarity": 0.5393615961074829 } }, { "source": "CID:44489343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505769", "properties": { "id": "SA-425929-SA-418267 similarity", "source_label": "SA-425929", "target_label": "SA-418267", "cosine_similarity": 0.2802261114120483 } }, { "source": "CID:46931007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41867", "properties": { "id": "daunorubicin-epirubicin similarity", "source_label": "daunorubicin", "target_label": "epirubicin", "cosine_similarity": 0.8975181579589844 } }, { "source": "CID:5281426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "umbelliferone-rolipram similarity", "source_label": "umbelliferone", "target_label": "rolipram", "cosine_similarity": 0.237459123134613 } }, { "source": "CID:44187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "cefoperazone-efavirenz similarity", "source_label": "cefoperazone", "target_label": "efavirenz", "cosine_similarity": 0.4238994121551513 } }, { "source": "CID:108143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "tamibarotene-alitretinoin similarity", "source_label": "tamibarotene", "target_label": "alitretinoin", "cosine_similarity": 0.4306329786777496 } }, { "source": "CID:443375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "devazepide-NSC-632839 similarity", "source_label": "devazepide", "target_label": "NSC-632839", "cosine_similarity": 0.5088556408882141 } }, { "source": "CID:5330535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "D-64406-lasalocid similarity", "source_label": "D-64406", "target_label": "lasalocid", "cosine_similarity": 0.4097004234790802 } }, { "source": "CID:9444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "azacitidine-CGK-733 similarity", "source_label": "azacitidine", "target_label": "CGK-733", "cosine_similarity": 0.5771099328994751 } }, { "source": "CID:7791937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1022-BG-1032 similarity", "source_label": "BG-1022", "target_label": "BG-1032", "cosine_similarity": 0.41140016913414 } }, { "source": "CID:23844163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "NK42-I-109-1-gossypin similarity", "source_label": "NK42-I-109-1", "target_label": "gossypin", "cosine_similarity": 0.3559730947017669 } }, { "source": "CID:47510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2130", "properties": { "id": "lidamidine-amantadine similarity", "source_label": "lidamidine", "target_label": "amantadine", "cosine_similarity": 0.3382168412208557 } }, { "source": "CID:5369129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "kavain-BMS-641988 similarity", "source_label": "kavain", "target_label": "BMS-641988", "cosine_similarity": 0.3119670152664184 } }, { "source": "CID:9853053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57335384", "properties": { "id": "lomitapide-rociletinib similarity", "source_label": "lomitapide", "target_label": "rociletinib", "cosine_similarity": 0.3187147676944732 } }, { "source": "CID:6604822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330535", "properties": { "id": "AM-404-D-64406 similarity", "source_label": "AM-404", "target_label": "D-64406", "cosine_similarity": 0.2106882333755493 } }, { "source": "CID:3476986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "blebbistatin-BMS-754807 similarity", "source_label": "blebbistatin", "target_label": "BMS-754807", "cosine_similarity": 0.4640587568283081 } }, { "source": "CID:5748555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "mammea-a-niclosamide similarity", "source_label": "mammea-a", "target_label": "niclosamide", "cosine_similarity": 0.3627592027187347 } }, { "source": "CID:3741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5094", "properties": { "id": "ioversol-ronidazole similarity", "source_label": "ioversol", "target_label": "ronidazole", "cosine_similarity": 0.3067106902599334 } }, { "source": "CID:1403142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "biochanin-a-Gossypetin similarity", "source_label": "biochanin-a", "target_label": "Gossypetin", "cosine_similarity": 0.3292473256587982 } }, { "source": "CID:23817956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:243", "properties": { "id": "hydralazine-benzoic-acid similarity", "source_label": "hydralazine", "target_label": "benzoic-acid", "cosine_similarity": 0.2294977009296417 } }, { "source": "CID:44199317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:398148", "properties": { "id": "AZD-2461-NU-6027 similarity", "source_label": "AZD-2461", "target_label": "NU-6027", "cosine_similarity": 0.3196721076965332 } }, { "source": "CID:3651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "hydroxyamphetamine-6-chloromelatonin similarity", "source_label": "hydroxyamphetamine", "target_label": "6-chloromelatonin", "cosine_similarity": 0.5378720164299011 } }, { "source": "CID:68870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9935249", "properties": { "id": "tianeptine-tipifarnib similarity", "source_label": "tianeptine", "target_label": "tipifarnib", "cosine_similarity": 0.4640684127807617 } }, { "source": "CID:4989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54685921", "properties": { "id": "pyrantel-hispidin similarity", "source_label": "pyrantel", "target_label": "hispidin", "cosine_similarity": 0.2262883186340332 } }, { "source": "CID:60184300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184097", "properties": { "id": "SA-1938867-SA-1938421 similarity", "source_label": "SA-1938867", "target_label": "SA-1938421", "cosine_similarity": 0.3918604254722595 } }, { "source": "CID:73707426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "alfacalcidol-I-505056 similarity", "source_label": "alfacalcidol", "target_label": "I-505056", "cosine_similarity": 0.4015685319900512 } }, { "source": "CID:4814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "picotamide-roquinimex similarity", "source_label": "picotamide", "target_label": "roquinimex", "cosine_similarity": 0.349021315574646 } }, { "source": "CID:720932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "ST-012525-mesoridazine similarity", "source_label": "ST-012525", "target_label": "mesoridazine", "cosine_similarity": 0.2105371057987213 } }, { "source": "CID:3052776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "rasagiline-anecortave-acetate similarity", "source_label": "rasagiline", "target_label": "anecortave-acetate", "cosine_similarity": 0.3831863105297088 } }, { "source": "CID:158781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72390", "properties": { "id": "olmesartan-thiazolidinecarboxylic-acid similarity", "source_label": "olmesartan", "target_label": "thiazolidinecarboxylic-acid", "cosine_similarity": 0.3046741783618927 } }, { "source": "CID:1549000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "levocetirizine-sparfloxacin similarity", "source_label": "levocetirizine", "target_label": "sparfloxacin", "cosine_similarity": 0.4850780665874481 } }, { "source": "CID:54666569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666571", "properties": { "id": "SA-1920013-SA-1921867 similarity", "source_label": "SA-1920013", "target_label": "SA-1921867", "cosine_similarity": 0.3350367844104767 } }, { "source": "CID:208902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "ramelteon-sparfosic-acid similarity", "source_label": "ramelteon", "target_label": "sparfosic-acid", "cosine_similarity": 0.4444992840290069 } }, { "source": "CID:6708584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "isogedunin-travoprost similarity", "source_label": "isogedunin", "target_label": "travoprost", "cosine_similarity": 0.2632389068603515 } }, { "source": "CID:984170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23351218", "properties": { "id": "CCT-018159-radicicol similarity", "source_label": "CCT-018159", "target_label": "radicicol", "cosine_similarity": 0.5861343145370483 } }, { "source": "CID:60186945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184895", "properties": { "id": "SA-1938862-SA-1939938 similarity", "source_label": "SA-1938862", "target_label": "SA-1939938", "cosine_similarity": 0.2578021287918091 } }, { "source": "CID:5353609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "erbstatin-analog-EMF-sumo1-39 similarity", "source_label": "erbstatin-analog", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4102702438831329 } }, { "source": "CID:71777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "lufenuron-flumethasone-pivalate similarity", "source_label": "lufenuron", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.4428111016750335 } }, { "source": "CID:92766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24868317", "properties": { "id": "corynanthine-UCL-2077 similarity", "source_label": "corynanthine", "target_label": "UCL-2077", "cosine_similarity": 0.2643570303916931 } }, { "source": "CID:387447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "bortezomib-thiostrepton similarity", "source_label": "bortezomib", "target_label": "thiostrepton", "cosine_similarity": 0.6408347487449646 } }, { "source": "CID:4926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "promazine-sertraline similarity", "source_label": "promazine", "target_label": "sertraline", "cosine_similarity": 0.6280405521392822 } }, { "source": "CID:3467590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "STO-609-dichlorophen similarity", "source_label": "STO-609", "target_label": "dichlorophen", "cosine_similarity": 0.2589077353477478 } }, { "source": "CID:23635314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "KX-2391-paclitaxel similarity", "source_label": "KX-2391", "target_label": "paclitaxel", "cosine_similarity": 0.9003210663795471 } }, { "source": "CID:3550807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "EMF-sumo1-7-SAL-1 similarity", "source_label": "EMF-sumo1-7", "target_label": "SAL-1", "cosine_similarity": 0.2539328038692474 } }, { "source": "CID:11609586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "serdemetan-tamoxifen similarity", "source_label": "serdemetan", "target_label": "tamoxifen", "cosine_similarity": 0.4952852427959442 } }, { "source": "CID:6560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4608", "properties": { "id": "penicillin-micropenin similarity", "source_label": "penicillin", "target_label": "micropenin", "cosine_similarity": 0.2599588632583618 } }, { "source": "CID:12478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4847", "properties": { "id": "trimetozine-pirenperone similarity", "source_label": "trimetozine", "target_label": "pirenperone", "cosine_similarity": 0.2679053544998169 } }, { "source": "CID:54657695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "SA-1973497-SA-1973507 similarity", "source_label": "SA-1973497", "target_label": "SA-1973507", "cosine_similarity": 0.4879667460918426 } }, { "source": "CID:5374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "talipexole-fasudil similarity", "source_label": "talipexole", "target_label": "fasudil", "cosine_similarity": 0.2428627759218216 } }, { "source": "CID:128919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009888", "properties": { "id": "xaliproden-ursodiol similarity", "source_label": "xaliproden", "target_label": "ursodiol", "cosine_similarity": 0.3767430782318115 } }, { "source": "CID:2082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "albendazole-parbendazole similarity", "source_label": "albendazole", "target_label": "parbendazole", "cosine_similarity": 0.6523706316947937 } }, { "source": "CID:2549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "capsazepine-EMF-sumo1-39 similarity", "source_label": "capsazepine", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.6261298656463623 } }, { "source": "CID:14113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "fenigam-quercetin similarity", "source_label": "fenigam", "target_label": "quercetin", "cosine_similarity": 0.2556120157241821 } }, { "source": "CID:54658741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659633", "properties": { "id": "SA-1459187-SA-1456220 similarity", "source_label": "SA-1459187", "target_label": "SA-1456220", "cosine_similarity": 0.3008736371994018 } }, { "source": "CID:1560402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "SMER-28-Gossypetin similarity", "source_label": "SMER-28", "target_label": "Gossypetin", "cosine_similarity": 0.3841187655925751 } }, { "source": "CID:1103147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "YM-90709-sorafenib similarity", "source_label": "YM-90709", "target_label": "sorafenib", "cosine_similarity": 0.2183089405298233 } }, { "source": "CID:9868037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "OSI-930-orciprenaline similarity", "source_label": "OSI-930", "target_label": "orciprenaline", "cosine_similarity": 0.3371523916721344 } }, { "source": "CID:644213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:182593", "properties": { "id": "GW-9662-RS-23597-190 similarity", "source_label": "GW-9662", "target_label": "RS-23597-190", "cosine_similarity": 0.4412074089050293 } }, { "source": "CID:5281081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720272", "properties": { "id": "entacapone-ST-012015 similarity", "source_label": "entacapone", "target_label": "ST-012015", "cosine_similarity": 0.195399522781372 } }, { "source": "CID:2950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "dantron-ZM-336372 similarity", "source_label": "dantron", "target_label": "ZM-336372", "cosine_similarity": 0.2215182930231094 } }, { "source": "CID:214348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "deferasirox-SC-144 similarity", "source_label": "deferasirox", "target_label": "SC-144", "cosine_similarity": 0.3630423247814178 } }, { "source": "CID:42611257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "vemurafenib-RAF-265 similarity", "source_label": "vemurafenib", "target_label": "RAF-265", "cosine_similarity": 0.6893694400787354 } }, { "source": "CID:24747176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "PSH-021-yohimbine similarity", "source_label": "PSH-021", "target_label": "yohimbine", "cosine_similarity": 0.2763055860996246 } }, { "source": "CID:7028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "pseudoephedrine-temozolomide similarity", "source_label": "pseudoephedrine", "target_label": "temozolomide", "cosine_similarity": 0.2872848510742187 } }, { "source": "CID:4449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "nefazodone-neostigmine similarity", "source_label": "nefazodone", "target_label": "neostigmine", "cosine_similarity": 0.4734278917312622 } }, { "source": "CID:2478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "busulfan-sulpiride similarity", "source_label": "busulfan", "target_label": "sulpiride", "cosine_similarity": 0.4122419655323028 } }, { "source": "CID:72947410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "MD-II-051-MD-049 similarity", "source_label": "MD-II-051", "target_label": "MD-049", "cosine_similarity": 0.7844106554985046 } }, { "source": "CID:17748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49835860", "properties": { "id": "quinoclamine-ST-4062971 similarity", "source_label": "quinoclamine", "target_label": "ST-4062971", "cosine_similarity": 0.355968564748764 } }, { "source": "CID:9874913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "CP-724714-meloxicam similarity", "source_label": "CP-724714", "target_label": "meloxicam", "cosine_similarity": 0.3741044402122497 } }, { "source": "CID:44593870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68911", "properties": { "id": "KU-C103885-artemether similarity", "source_label": "KU-C103885", "target_label": "artemether", "cosine_similarity": 0.320133775472641 } }, { "source": "CID:701939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "MW-A1-12-BAY-11-7082 similarity", "source_label": "MW-A1-12", "target_label": "BAY-11-7082", "cosine_similarity": 0.4749000966548919 } }, { "source": "CID:9863672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "ripasudil-rifabutin similarity", "source_label": "ripasudil", "target_label": "rifabutin", "cosine_similarity": 0.4385104477405548 } }, { "source": "CID:686211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "KU-C104126N-KU-C104236N similarity", "source_label": "KU-C104126N", "target_label": "KU-C104236N", "cosine_similarity": 0.2937235534191131 } }, { "source": "CID:3730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "iohexol-PD-98059 similarity", "source_label": "iohexol", "target_label": "PD-98059", "cosine_similarity": 0.2044893652200698 } }, { "source": "CID:44483163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476986", "properties": { "id": "endo-IWR-1-blebbistatin similarity", "source_label": "endo-IWR-1", "target_label": "blebbistatin", "cosine_similarity": 0.4121113419532776 } }, { "source": "CID:4353886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "FR-139317-dipyrocetyl similarity", "source_label": "FR-139317", "target_label": "dipyrocetyl", "cosine_similarity": 0.2733018696308136 } }, { "source": "CID:5584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071196", "properties": { "id": "trimipramine-pimavanserin similarity", "source_label": "trimipramine", "target_label": "pimavanserin", "cosine_similarity": 0.4291132986545563 } }, { "source": "CID:123630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "tazobactam-aminoguanidine similarity", "source_label": "tazobactam", "target_label": "aminoguanidine", "cosine_similarity": 0.5100607872009277 } }, { "source": "CID:12385463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45115620", "properties": { "id": "KU-C103670-VU-0413807-2 similarity", "source_label": "KU-C103670", "target_label": "VU-0413807-2", "cosine_similarity": 0.3082745373249054 } }, { "source": "CID:6710776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "nomilin-YK-4279 similarity", "source_label": "nomilin", "target_label": "YK-4279", "cosine_similarity": 0.2667641341686249 } }, { "source": "CID:145659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "sinensetin-I-BET-762 similarity", "source_label": "sinensetin", "target_label": "I-BET-762", "cosine_similarity": 0.2291477620601654 } }, { "source": "CID:44483253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "cyclopiazonic-acid-AG-879 similarity", "source_label": "cyclopiazonic-acid", "target_label": "AG-879", "cosine_similarity": 0.4071490466594696 } }, { "source": "CID:73010930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148192", "properties": { "id": "GSK-2801-atazanavir similarity", "source_label": "GSK-2801", "target_label": "atazanavir", "cosine_similarity": 0.2751490175724029 } }, { "source": "CID:5625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "delavirdine-vinpocetine similarity", "source_label": "delavirdine", "target_label": "vinpocetine", "cosine_similarity": 0.1357867568731308 } }, { "source": "CID:27400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "pizotifen-tetrandrine similarity", "source_label": "pizotifen", "target_label": "tetrandrine", "cosine_similarity": 0.3446528911590576 } }, { "source": "CID:3579902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "KU-C103874-CAM-9-021 similarity", "source_label": "KU-C103874", "target_label": "CAM-9-021", "cosine_similarity": 0.3402692377567291 } }, { "source": "CID:54654435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "SA-1472702-CGS-21680 similarity", "source_label": "SA-1472702", "target_label": "CGS-21680", "cosine_similarity": 0.3324301540851593 } }, { "source": "CID:42890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "idarubicin-doxorubicin similarity", "source_label": "idarubicin", "target_label": "doxorubicin", "cosine_similarity": 0.694907546043396 } }, { "source": "CID:73707393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "GP-42-NSC-632839 similarity", "source_label": "GP-42", "target_label": "NSC-632839", "cosine_similarity": 0.7769842743873596 } }, { "source": "CID:16061185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "mead-ethanolamide-7-nitroindazole similarity", "source_label": "mead-ethanolamide", "target_label": "7-nitroindazole", "cosine_similarity": 0.3116838634014129 } }, { "source": "CID:399698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "n-bromoacetyltryptamine-I-606051 similarity", "source_label": "n-bromoacetyltryptamine", "target_label": "I-606051", "cosine_similarity": 0.5648282170295715 } }, { "source": "CID:4879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12492", "properties": { "id": "PP-3-clopamide similarity", "source_label": "PP-3", "target_label": "clopamide", "cosine_similarity": 0.1934516578912735 } }, { "source": "CID:6610303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "U-74389F-T-98475 similarity", "source_label": "U-74389F", "target_label": "T-98475", "cosine_similarity": 0.2367243468761444 } }, { "source": "CID:51081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "pefloxacin-phenoxazine similarity", "source_label": "pefloxacin", "target_label": "phenoxazine", "cosine_similarity": 0.262102335691452 } }, { "source": "CID:444029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561674", "properties": { "id": "colforsin-daproate-apremilast similarity", "source_label": "colforsin-daproate", "target_label": "apremilast", "cosine_similarity": 0.253453254699707 } }, { "source": "CID:44828476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259133", "properties": { "id": "KU-C104545N-VU-0415113-1 similarity", "source_label": "KU-C104545N", "target_label": "VU-0415113-1", "cosine_similarity": 0.2216341346502304 } }, { "source": "CID:5353633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13292831", "properties": { "id": "farnesylthiotriazole-prostaglandin similarity", "source_label": "farnesylthiotriazole", "target_label": "prostaglandin", "cosine_similarity": 0.1923862695693969 } }, { "source": "CID:3955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "loperamide-CAY-10594 similarity", "source_label": "loperamide", "target_label": "CAY-10594", "cosine_similarity": 0.504695475101471 } }, { "source": "CID:2820381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "KM-03949SC-I-070759 similarity", "source_label": "KM-03949SC", "target_label": "I-070759", "cosine_similarity": 0.5583265423774719 } }, { "source": "CID:5090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "rofecoxib-GNF-2 similarity", "source_label": "rofecoxib", "target_label": "GNF-2", "cosine_similarity": 0.2870566546916961 } }, { "source": "CID:73707390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "ON-01910-mebendazole similarity", "source_label": "ON-01910", "target_label": "mebendazole", "cosine_similarity": 0.5396605730056763 } }, { "source": "CID:5283731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "calcifediol-AT-CSC-18 similarity", "source_label": "calcifediol", "target_label": "AT-CSC-18", "cosine_similarity": 0.2392560392618179 } }, { "source": "CID:70680411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:243", "properties": { "id": "AT1-SHH-29-benzoic-acid similarity", "source_label": "AT1-SHH-29", "target_label": "benzoic-acid", "cosine_similarity": 0.2745773792266845 } }, { "source": "CID:132252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "CGP-52432-Gossypetin similarity", "source_label": "CGP-52432", "target_label": "Gossypetin", "cosine_similarity": 0.3041809797286987 } }, { "source": "CID:25195294", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707604", "properties": { "id": "LDN-193189-avicin-g similarity", "source_label": "LDN-193189", "target_label": "avicin-g", "cosine_similarity": 0.426839143037796 } }, { "source": "CID:2744062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "SPB02303-TW-37 similarity", "source_label": "SPB02303", "target_label": "TW-37", "cosine_similarity": 0.5925016403198242 } }, { "source": "CID:5732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:223368", "properties": { "id": "zolpidem-equilin similarity", "source_label": "zolpidem", "target_label": "equilin", "cosine_similarity": 0.5165174007415771 } }, { "source": "CID:11296282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "DG-041-Ro-28-1675 similarity", "source_label": "DG-041", "target_label": "Ro-28-1675", "cosine_similarity": 0.4864649176597595 } }, { "source": "CID:4431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:182593", "properties": { "id": "NAN-190-RS-23597-190 similarity", "source_label": "NAN-190", "target_label": "RS-23597-190", "cosine_similarity": 0.2077471017837524 } }, { "source": "CID:1554210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "CFTRinh-172-KIN001-269 similarity", "source_label": "CFTRinh-172", "target_label": "KIN001-269", "cosine_similarity": 0.2065230906009674 } }, { "source": "CID:6918314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "vilazodone-fluvoxamine similarity", "source_label": "vilazodone", "target_label": "fluvoxamine", "cosine_similarity": 0.4067880809307098 } }, { "source": "CID:9834591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "LY-2140023-dolastatin-10 similarity", "source_label": "LY-2140023", "target_label": "dolastatin-10", "cosine_similarity": 0.4163958728313446 } }, { "source": "CID:18496254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "lactotensin-TUL-XX023 similarity", "source_label": "lactotensin", "target_label": "TUL-XX023", "cosine_similarity": 0.2281685322523117 } }, { "source": "CID:2663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "celiprolol-etamsylate similarity", "source_label": "celiprolol", "target_label": "etamsylate", "cosine_similarity": 0.2162336558103561 } }, { "source": "CID:5382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "TCPOBOP-BMS-191011 similarity", "source_label": "TCPOBOP", "target_label": "BMS-191011", "cosine_similarity": 0.3702545464038849 } }, { "source": "CID:5730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "ZM-336372-PLX-4720 similarity", "source_label": "ZM-336372", "target_label": "PLX-4720", "cosine_similarity": 0.4789180159568786 } }, { "source": "CID:839770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151819", "properties": { "id": "RAN-14B-BL-050 similarity", "source_label": "RAN-14B", "target_label": "BL-050", "cosine_similarity": 0.2496655285358429 } }, { "source": "CID:4233538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "NAS-181-resorcinol similarity", "source_label": "NAS-181", "target_label": "resorcinol", "cosine_similarity": 0.2128676623106002 } }, { "source": "CID:20864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3925", "properties": { "id": "ST-91-QX-314 similarity", "source_label": "ST-91", "target_label": "QX-314", "cosine_similarity": 0.2537080347537994 } }, { "source": "CID:46742339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "VU-0418933-1-VU-0418939-2 similarity", "source_label": "VU-0418933-1", "target_label": "VU-0418939-2", "cosine_similarity": 0.8389189839363098 } }, { "source": "CID:457964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6256", "properties": { "id": "aphidicolin-trifluridine similarity", "source_label": "aphidicolin", "target_label": "trifluridine", "cosine_similarity": 0.6062979102134705 } }, { "source": "CID:65957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "pazufloxacin-eperezolid similarity", "source_label": "pazufloxacin", "target_label": "eperezolid", "cosine_similarity": 0.3393090665340423 } }, { "source": "CID:3307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "etizolam-lamotrigine similarity", "source_label": "etizolam", "target_label": "lamotrigine", "cosine_similarity": 0.3311392068862915 } }, { "source": "CID:16760391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "VAMA-37-PI-828 similarity", "source_label": "VAMA-37", "target_label": "PI-828", "cosine_similarity": 0.3641793131828308 } }, { "source": "CID:4203080", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "L-655708-darinaparsin similarity", "source_label": "L-655708", "target_label": "darinaparsin", "cosine_similarity": 0.294859766960144 } }, { "source": "CID:3080554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "homoquinolinic-acid-nilvadipine similarity", "source_label": "homoquinolinic-acid", "target_label": "nilvadipine", "cosine_similarity": 0.2652543783187866 } }, { "source": "CID:6602440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "dehydrocholate-SA-102096 similarity", "source_label": "dehydrocholate", "target_label": "SA-102096", "cosine_similarity": 0.2738723754882812 } }, { "source": "CID:44251479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "VU-0405166-2-MW-MITF28 similarity", "source_label": "VU-0405166-2", "target_label": "MW-MITF28", "cosine_similarity": 0.2815863490104675 } }, { "source": "CID:128563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6037", "properties": { "id": "salvinorin-a-folic-acid similarity", "source_label": "salvinorin-a", "target_label": "folic-acid", "cosine_similarity": 0.3289138972759247 } }, { "source": "CID:42618298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "BG-1030-Fluoro-SAHA similarity", "source_label": "BG-1030", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.4440494775772095 } }, { "source": "CID:68870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9911830", "properties": { "id": "tianeptine-tivozanib similarity", "source_label": "tianeptine", "target_label": "tivozanib", "cosine_similarity": 0.4161287546157837 } }, { "source": "CID:2581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "carprofen-dorzolamide similarity", "source_label": "carprofen", "target_label": "dorzolamide", "cosine_similarity": 0.4215479493141174 } }, { "source": "CID:213046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "lurasidone-dipyridamole similarity", "source_label": "lurasidone", "target_label": "dipyridamole", "cosine_similarity": 0.41992849111557 } }, { "source": "CID:47811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4935", "properties": { "id": "pergolide-proxymetacaine similarity", "source_label": "pergolide", "target_label": "proxymetacaine", "cosine_similarity": 0.2668156325817108 } }, { "source": "CID:7314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "maltobionic-acid-levosulpiride similarity", "source_label": "maltobionic-acid", "target_label": "levosulpiride", "cosine_similarity": 0.2780289053916931 } }, { "source": "CID:54459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "idazoxan-phenothrin similarity", "source_label": "idazoxan", "target_label": "phenothrin", "cosine_similarity": 0.3383094668388366 } }, { "source": "CID:24776445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132519", "properties": { "id": "vismodegib-ilomastat similarity", "source_label": "vismodegib", "target_label": "ilomastat", "cosine_similarity": 0.3762886524200439 } }, { "source": "CID:6604926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SB-334867-JAS07-006 similarity", "source_label": "SB-334867", "target_label": "JAS07-006", "cosine_similarity": 0.393780916929245 } }, { "source": "CID:638034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "retinyl-parthenolide similarity", "source_label": "retinyl", "target_label": "parthenolide", "cosine_similarity": 0.2671334445476532 } }, { "source": "CID:4991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3448", "properties": { "id": "mestinon-gaboxadol similarity", "source_label": "mestinon", "target_label": "gaboxadol", "cosine_similarity": 0.3263002634048462 } }, { "source": "CID:6602440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "dehydrocholate-DAC-009 similarity", "source_label": "dehydrocholate", "target_label": "DAC-009", "cosine_similarity": 0.2817454934120178 } }, { "source": "CID:4684627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "RWJ-21757-fatostatin similarity", "source_label": "RWJ-21757", "target_label": "fatostatin", "cosine_similarity": 0.2704043388366699 } }, { "source": "CID:4725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "penciclovir-perindopril similarity", "source_label": "penciclovir", "target_label": "perindopril", "cosine_similarity": 0.3088599741458893 } }, { "source": "CID:73438900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10205", "properties": { "id": "JS-K-plumbagin similarity", "source_label": "JS-K", "target_label": "plumbagin", "cosine_similarity": 0.5302153825759888 } }, { "source": "CID:4418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "naftopidil-cefoperazone similarity", "source_label": "naftopidil", "target_label": "cefoperazone", "cosine_similarity": 0.3794641494750976 } }, { "source": "CID:5268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "spiroxatrine-gossypin similarity", "source_label": "spiroxatrine", "target_label": "gossypin", "cosine_similarity": 0.2714146673679352 } }, { "source": "CID:9419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3742", "properties": { "id": "dibenzepin-ioxaglic-acid similarity", "source_label": "dibenzepin", "target_label": "ioxaglic-acid", "cosine_similarity": 0.2333446145057678 } }, { "source": "CID:5328940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "bosutinib-HG-6-64-01 similarity", "source_label": "bosutinib", "target_label": "HG-6-64-01", "cosine_similarity": 0.5052310824394226 } }, { "source": "CID:462382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "MG-132-thiostrepton similarity", "source_label": "MG-132", "target_label": "thiostrepton", "cosine_similarity": 0.6853667497634888 } }, { "source": "CID:54657758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SA-1459020-BMS-191011 similarity", "source_label": "SA-1459020", "target_label": "BMS-191011", "cosine_similarity": 0.2571576833724975 } }, { "source": "CID:34040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "nicergoline-mCPP similarity", "source_label": "nicergoline", "target_label": "mCPP", "cosine_similarity": 0.4722836911678314 } }, { "source": "CID:3080554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "homoquinolinic-acid-perzinfotel similarity", "source_label": "homoquinolinic-acid", "target_label": "perzinfotel", "cosine_similarity": 0.2535052895545959 } }, { "source": "CID:11595431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "GW-9508-UNC-0321 similarity", "source_label": "GW-9508", "target_label": "UNC-0321", "cosine_similarity": 0.380118727684021 } }, { "source": "CID:16725726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24788740", "properties": { "id": "GSK-690693-GDC-0068 similarity", "source_label": "GSK-690693", "target_label": "GDC-0068", "cosine_similarity": 0.4527299404144287 } }, { "source": "CID:2018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "actarit-SB-683698 similarity", "source_label": "actarit", "target_label": "SB-683698", "cosine_similarity": 0.5437672138214111 } }, { "source": "CID:42008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "cefmetazole-leucovorin similarity", "source_label": "cefmetazole", "target_label": "leucovorin", "cosine_similarity": 0.18305104970932 } }, { "source": "CID:2820118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2264", "properties": { "id": "KM-03439-azasetron similarity", "source_label": "KM-03439", "target_label": "azasetron", "cosine_similarity": 0.240863099694252 } }, { "source": "CID:3828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "khellin-rilmenidine similarity", "source_label": "khellin", "target_label": "rilmenidine", "cosine_similarity": 0.1624895632266998 } }, { "source": "CID:5092098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "RU-28318-myricetin similarity", "source_label": "RU-28318", "target_label": "myricetin", "cosine_similarity": 0.2383486479520797 } }, { "source": "CID:135440466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "BMS-536924-PI-828 similarity", "source_label": "BMS-536924", "target_label": "PI-828", "cosine_similarity": 0.5788675546646118 } }, { "source": "CID:5360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488016", "properties": { "id": "dextrorphan-SA-94315 similarity", "source_label": "dextrorphan", "target_label": "SA-94315", "cosine_similarity": 0.2450219392776489 } }, { "source": "CID:5330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "sulfamethoxypyridazine-leucovorin similarity", "source_label": "sulfamethoxypyridazine", "target_label": "leucovorin", "cosine_similarity": 0.341224193572998 } }, { "source": "CID:73707393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "GP-42-RS-I-002-6 similarity", "source_label": "GP-42", "target_label": "RS-I-002-6", "cosine_similarity": 0.7722159624099731 } }, { "source": "CID:24747176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747195", "properties": { "id": "PSH-021-PSH-026 similarity", "source_label": "PSH-021", "target_label": "PSH-026", "cosine_similarity": 0.3145897090435028 } }, { "source": "CID:73707600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1225", "properties": { "id": "APEC-SKF-82958 similarity", "source_label": "APEC", "target_label": "SKF-82958", "cosine_similarity": 0.2291364222764969 } }, { "source": "CID:16736529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11955716", "properties": { "id": "BIIB-021-AT-13387 similarity", "source_label": "BIIB-021", "target_label": "AT-13387", "cosine_similarity": 0.8924798369407654 } }, { "source": "CID:5496659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "otamixaban-dorzolamide similarity", "source_label": "otamixaban", "target_label": "dorzolamide", "cosine_similarity": 0.3986542820930481 } }, { "source": "CID:24855958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "TCS-2002-PKCbeta-inhibitor similarity", "source_label": "TCS-2002", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.3752403855323791 } }, { "source": "CID:16741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "phenethyl-isothiocyanate-7b-cis similarity", "source_label": "phenethyl-isothiocyanate", "target_label": "7b-cis", "cosine_similarity": 0.5945421457290649 } }, { "source": "CID:4246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "monocrotaline-EMF-csc-9 similarity", "source_label": "monocrotaline", "target_label": "EMF-csc-9", "cosine_similarity": 0.3628373444080353 } }, { "source": "CID:36462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "etoposide-teniposide similarity", "source_label": "etoposide", "target_label": "teniposide", "cosine_similarity": 0.6397056579589844 } }, { "source": "CID:24733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "alfadolone-acetate-phenoxazine similarity", "source_label": "alfadolone-acetate", "target_label": "phenoxazine", "cosine_similarity": 0.2732798755168915 } }, { "source": "CID:10405323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755405", "properties": { "id": "WR-216174-ST-056792 similarity", "source_label": "WR-216174", "target_label": "ST-056792", "cosine_similarity": 0.5138981938362122 } }, { "source": "CID:3657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "hydroxyurea-lorazepam similarity", "source_label": "hydroxyurea", "target_label": "lorazepam", "cosine_similarity": 0.4354721903800964 } }, { "source": "CID:6851740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "ispinesib-terfenadine similarity", "source_label": "ispinesib", "target_label": "terfenadine", "cosine_similarity": 0.6305743455886841 } }, { "source": "CID:4236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "modafinil-BMS-641988 similarity", "source_label": "modafinil", "target_label": "BMS-641988", "cosine_similarity": 0.3784440457820892 } }, { "source": "CID:64971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "betulinic-acid-flutamide similarity", "source_label": "betulinic-acid", "target_label": "flutamide", "cosine_similarity": 0.3825663924217224 } }, { "source": "CID:1206243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "mirin-NVP-AUY922 similarity", "source_label": "mirin", "target_label": "NVP-AUY922", "cosine_similarity": 0.3308933675289154 } }, { "source": "CID:6738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "hydroxytoluic-acid-PD-128907 similarity", "source_label": "hydroxytoluic-acid", "target_label": "PD-128907", "cosine_similarity": 0.5225750803947449 } }, { "source": "CID:5288674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135564985", "properties": { "id": "alvespimycin-ganetespib similarity", "source_label": "alvespimycin", "target_label": "ganetespib", "cosine_similarity": 0.8283056616783142 } }, { "source": "CID:1225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "SKF-82958-levopropoxyphene similarity", "source_label": "SKF-82958", "target_label": "levopropoxyphene", "cosine_similarity": 0.229281798005104 } }, { "source": "CID:73707346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "pyrvinium-I-505056 similarity", "source_label": "pyrvinium", "target_label": "I-505056", "cosine_similarity": 0.5238390564918518 } }, { "source": "CID:5912039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "huperzine-a-genipin similarity", "source_label": "huperzine-a", "target_label": "genipin", "cosine_similarity": 0.2835349440574646 } }, { "source": "CID:5714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "YS-035-rolipram similarity", "source_label": "YS-035", "target_label": "rolipram", "cosine_similarity": 0.2131318897008896 } }, { "source": "CID:5281847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "rottlerin-FCCP similarity", "source_label": "rottlerin", "target_label": "FCCP", "cosine_similarity": 0.5987885594367981 } }, { "source": "CID:10201696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "balicatib-benzbromarone similarity", "source_label": "balicatib", "target_label": "benzbromarone", "cosine_similarity": 0.5044296979904175 } }, { "source": "CID:5282459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "cinepazide-actarit similarity", "source_label": "cinepazide", "target_label": "actarit", "cosine_similarity": 0.3528590202331543 } }, { "source": "CID:44506448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1004-BG-1003 similarity", "source_label": "BG-1004", "target_label": "BG-1003", "cosine_similarity": 0.6292077302932739 } }, { "source": "CID:9989505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "immethridine-PT-630 similarity", "source_label": "immethridine", "target_label": "PT-630", "cosine_similarity": 0.3352724909782409 } }, { "source": "CID:24747209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602404", "properties": { "id": "PSH-012-KU-C104133 similarity", "source_label": "PSH-012", "target_label": "KU-C104133", "cosine_similarity": 0.2348763644695282 } }, { "source": "CID:441336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "mometasone-clobetasol similarity", "source_label": "mometasone", "target_label": "clobetasol", "cosine_similarity": 0.3903608918190002 } }, { "source": "CID:24856237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "FU-JMBII105B-7b-cis similarity", "source_label": "FU-JMBII105B", "target_label": "7b-cis", "cosine_similarity": 0.4334379732608795 } }, { "source": "CID:44828477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "KUC104542N-Gossypetin similarity", "source_label": "KUC104542N", "target_label": "Gossypetin", "cosine_similarity": 0.2838522493839264 } }, { "source": "CID:173614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3478", "properties": { "id": "GR-144053-glipizide similarity", "source_label": "GR-144053", "target_label": "glipizide", "cosine_similarity": 0.2810618281364441 } }, { "source": "CID:3838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "KN-62-niguldipine similarity", "source_label": "KN-62", "target_label": "niguldipine", "cosine_similarity": 0.4942715167999267 } }, { "source": "CID:73707378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "triacsin-c-sulforaphane similarity", "source_label": "triacsin-c", "target_label": "sulforaphane", "cosine_similarity": 0.3781518936157226 } }, { "source": "CID:197033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44828477", "properties": { "id": "latrepirdine-KUC104542N similarity", "source_label": "latrepirdine", "target_label": "KUC104542N", "cosine_similarity": 0.1872396916151046 } }, { "source": "CID:45358132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "icariin-BMS-191011 similarity", "source_label": "icariin", "target_label": "BMS-191011", "cosine_similarity": 0.2932376265525818 } }, { "source": "CID:16095342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16123056", "properties": { "id": "GSK-269962-voxtalisib similarity", "source_label": "GSK-269962", "target_label": "voxtalisib", "cosine_similarity": 0.3507928848266601 } }, { "source": "CID:9912743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "SB-683698-ICI-162846 similarity", "source_label": "SB-683698", "target_label": "ICI-162846", "cosine_similarity": 0.5726817846298218 } }, { "source": "CID:10430360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "CC-401-A-769662 similarity", "source_label": "CC-401", "target_label": "A-769662", "cosine_similarity": 0.3413946330547333 } }, { "source": "CID:1697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10410310", "properties": { "id": "CGP-52411-tetracycline similarity", "source_label": "CGP-52411", "target_label": "tetracycline", "cosine_similarity": 0.2650168240070343 } }, { "source": "CID:132519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "ilomastat-estramustine-phosphate similarity", "source_label": "ilomastat", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3809772729873657 } }, { "source": "CID:180559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "esatenolol-dipyrocetyl similarity", "source_label": "esatenolol", "target_label": "dipyrocetyl", "cosine_similarity": 0.4283714890480041 } }, { "source": "CID:265237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "withaferin-a-MD-II-051 similarity", "source_label": "withaferin-a", "target_label": "MD-II-051", "cosine_similarity": 0.6864779591560364 } }, { "source": "CID:19728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "noscapine-FTI-276 similarity", "source_label": "noscapine", "target_label": "FTI-276", "cosine_similarity": 0.3195517659187317 } }, { "source": "CID:23777784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:90843500", "properties": { "id": "UGISS-186-rolitetracycline similarity", "source_label": "UGISS-186", "target_label": "rolitetracycline", "cosine_similarity": 0.3121123909950256 } }, { "source": "CID:445580", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176408", "properties": { "id": "doconexent-SCH-58261 similarity", "source_label": "doconexent", "target_label": "SCH-58261", "cosine_similarity": 0.4963545799255371 } }, { "source": "CID:135409453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "tegaserod-I-606051 similarity", "source_label": "tegaserod", "target_label": "I-606051", "cosine_similarity": 0.6075032949447632 } }, { "source": "CID:2125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "AM-251-RS-17053 similarity", "source_label": "AM-251", "target_label": "RS-17053", "cosine_similarity": 0.2564152181148529 } }, { "source": "CID:1622530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5387", "properties": { "id": "coumaric-acid-telenzepine similarity", "source_label": "coumaric-acid", "target_label": "telenzepine", "cosine_similarity": 0.2754321098327636 } }, { "source": "CID:441199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "cefoxitin-BMS-191011 similarity", "source_label": "cefoxitin", "target_label": "BMS-191011", "cosine_similarity": 0.3047975599765777 } }, { "source": "CID:2377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "bifemelane-aminoguanidine similarity", "source_label": "bifemelane", "target_label": "aminoguanidine", "cosine_similarity": 0.4965394139289856 } }, { "source": "CID:5952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "deoxycorticosterone-acetate-gramine similarity", "source_label": "deoxycorticosterone-acetate", "target_label": "gramine", "cosine_similarity": 0.2184985280036926 } }, { "source": "CID:6759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "riboflavin-myricetin similarity", "source_label": "riboflavin", "target_label": "myricetin", "cosine_similarity": 0.2742426097393036 } }, { "source": "CID:2474", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "bupivacaine-ketorolac similarity", "source_label": "bupivacaine", "target_label": "ketorolac", "cosine_similarity": 0.3713432252407074 } }, { "source": "CID:44483253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "cyclopiazonic-acid-CGP-71683 similarity", "source_label": "cyclopiazonic-acid", "target_label": "CGP-71683", "cosine_similarity": 0.3929654657840729 } }, { "source": "CID:60953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "capecitabine-FPL-62064 similarity", "source_label": "capecitabine", "target_label": "FPL-62064", "cosine_similarity": 0.3965136110782623 } }, { "source": "CID:60186845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "SA-1938757-SA-97110 similarity", "source_label": "SA-1938757", "target_label": "SA-97110", "cosine_similarity": 0.2580784261226654 } }, { "source": "CID:56965963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "KIN001-242-diethylcarbamazine similarity", "source_label": "KIN001-242", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3777813017368316 } }, { "source": "CID:7048637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "cefalotin-gliclazide similarity", "source_label": "cefalotin", "target_label": "gliclazide", "cosine_similarity": 0.2535562217235565 } }, { "source": "CID:49849909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "DM-161-BMS-641988 similarity", "source_label": "DM-161", "target_label": "BMS-641988", "cosine_similarity": 0.3586532771587372 } }, { "source": "CID:16725726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "GSK-690693-OSI-027 similarity", "source_label": "GSK-690693", "target_label": "OSI-027", "cosine_similarity": 0.4508588314056396 } }, { "source": "CID:44483817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "SA-102096-cefoxitin similarity", "source_label": "SA-102096", "target_label": "cefoxitin", "cosine_similarity": 0.2954136729240417 } }, { "source": "CID:44143703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "KU-C103428N-PSH-003 similarity", "source_label": "KU-C103428N", "target_label": "PSH-003", "cosine_similarity": 0.4372895956039428 } }, { "source": "CID:73707446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "tigecycline-I-070759 similarity", "source_label": "tigecycline", "target_label": "I-070759", "cosine_similarity": 0.4471736252307892 } }, { "source": "CID:44498015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-97110-SA-1459213 similarity", "source_label": "SA-97110", "target_label": "SA-1459213", "cosine_similarity": 0.3163319230079651 } }, { "source": "CID:108107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "benzamil-KU-C104248 similarity", "source_label": "benzamil", "target_label": "KU-C104248", "cosine_similarity": 0.2832362651824951 } }, { "source": "CID:46220502", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3387354", "properties": { "id": "LY-2835219-SB-218078 similarity", "source_label": "LY-2835219", "target_label": "SB-218078", "cosine_similarity": 0.5088075399398804 } }, { "source": "CID:9615346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "cefepime-L-citrulline similarity", "source_label": "cefepime", "target_label": "L-citrulline", "cosine_similarity": 0.4710598289966583 } }, { "source": "CID:5749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "oxyphenonium-GW-1929 similarity", "source_label": "oxyphenonium", "target_label": "GW-1929", "cosine_similarity": 0.2324808090925216 } }, { "source": "CID:19675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "piperacetazine-JW-55 similarity", "source_label": "piperacetazine", "target_label": "JW-55", "cosine_similarity": 0.2589199244976043 } }, { "source": "CID:2564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "carbinoxamine-thiotepa similarity", "source_label": "carbinoxamine", "target_label": "thiotepa", "cosine_similarity": 0.2825576066970825 } }, { "source": "CID:311434", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369129", "properties": { "id": "PNU-120596-kavain similarity", "source_label": "PNU-120596", "target_label": "kavain", "cosine_similarity": 0.2701686322689056 } }, { "source": "CID:5312557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2777", "properties": { "id": "docosatrienoic-acid-CL-82198 similarity", "source_label": "docosatrienoic-acid", "target_label": "CL-82198", "cosine_similarity": 0.2618653178215027 } }, { "source": "CID:11822705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "BCL2-inhibitor-K784-3188 similarity", "source_label": "BCL2-inhibitor", "target_label": "K784-3188", "cosine_similarity": 0.5081744194030762 } }, { "source": "CID:73707473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10620479", "properties": { "id": "ribostamycin-BML-278 similarity", "source_label": "ribostamycin", "target_label": "BML-278", "cosine_similarity": 0.2801557183265686 } }, { "source": "CID:54657740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "SA-1456570-PSH-024 similarity", "source_label": "SA-1456570", "target_label": "PSH-024", "cosine_similarity": 0.2455536127090454 } }, { "source": "CID:5312145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "Ro-04-6790-FTI-276 similarity", "source_label": "Ro-04-6790", "target_label": "FTI-276", "cosine_similarity": 0.309465229511261 } }, { "source": "CID:1544274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "EMF-sumo1-4-mestranol similarity", "source_label": "EMF-sumo1-4", "target_label": "mestranol", "cosine_similarity": 0.3408261835575104 } }, { "source": "CID:44623838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "KU-C104224-PSH-010 similarity", "source_label": "KU-C104224", "target_label": "PSH-010", "cosine_similarity": 0.2673552930355072 } }, { "source": "CID:5056826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "F-1566-0341-BCI-hydrochloride similarity", "source_label": "F-1566-0341", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.7627924084663391 } }, { "source": "CID:237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "mepacrine-daunorubicin similarity", "source_label": "mepacrine", "target_label": "daunorubicin", "cosine_similarity": 0.4470595121383667 } }, { "source": "CID:3735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9847023", "properties": { "id": "iopanoic-acid-prednisolone-hemisuccinate similarity", "source_label": "iopanoic-acid", "target_label": "prednisolone-hemisuccinate", "cosine_similarity": 0.3697761595249176 } }, { "source": "CID:62034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "lylamine-suloctidil similarity", "source_label": "lylamine", "target_label": "suloctidil", "cosine_similarity": 0.5998700261116028 } }, { "source": "CID:448014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6185", "properties": { "id": "AR-A014418-strophanthidin similarity", "source_label": "AR-A014418", "target_label": "strophanthidin", "cosine_similarity": 0.4150197207927704 } }, { "source": "CID:47528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "nicorandil-darinaparsin similarity", "source_label": "nicorandil", "target_label": "darinaparsin", "cosine_similarity": 0.2847001254558563 } }, { "source": "CID:444008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39042", "properties": { "id": "tibolone-bezafibrate similarity", "source_label": "tibolone", "target_label": "bezafibrate", "cosine_similarity": 0.4679092764854431 } }, { "source": "CID:60703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "eliprodil-phenoxazine similarity", "source_label": "eliprodil", "target_label": "phenoxazine", "cosine_similarity": 0.2473610937595367 } }, { "source": "CID:2286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "BADGE-pifithrin-mu similarity", "source_label": "BADGE", "target_label": "pifithrin-mu", "cosine_similarity": 0.7221229076385498 } }, { "source": "CID:9571107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "gemifloxacin-epirizole similarity", "source_label": "gemifloxacin", "target_label": "epirizole", "cosine_similarity": 0.4062143564224243 } }, { "source": "CID:25044703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926574", "properties": { "id": "TMI-15-MW-A1-18 similarity", "source_label": "TMI-15", "target_label": "MW-A1-18", "cosine_similarity": 0.2278701812028885 } }, { "source": "CID:9549297", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "SU-11274-PKCbeta-inhibitor similarity", "source_label": "SU-11274", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.3066233098506927 } }, { "source": "CID:6253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "cytarabine-floxuridine similarity", "source_label": "cytarabine", "target_label": "floxuridine", "cosine_similarity": 0.6322632431983948 } }, { "source": "CID:44907115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "VU-0413238-1-salmeterol similarity", "source_label": "VU-0413238-1", "target_label": "salmeterol", "cosine_similarity": 0.2507522404193878 } }, { "source": "CID:568416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "droxinostat-scriptaid similarity", "source_label": "droxinostat", "target_label": "scriptaid", "cosine_similarity": 0.6166196465492249 } }, { "source": "CID:5282381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "misoprostol-SA-1463838 similarity", "source_label": "misoprostol", "target_label": "SA-1463838", "cosine_similarity": 0.2237311005592346 } }, { "source": "CID:2318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65781", "properties": { "id": "benfluorex-ecabet similarity", "source_label": "benfluorex", "target_label": "ecabet", "cosine_similarity": 0.3633879423141479 } }, { "source": "CID:49836020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24737642", "properties": { "id": "birinapant-LCL-161 similarity", "source_label": "birinapant", "target_label": "LCL-161", "cosine_similarity": 0.5002356767654419 } }, { "source": "CID:6918456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2481", "properties": { "id": "prasugrel-butalbital similarity", "source_label": "prasugrel", "target_label": "butalbital", "cosine_similarity": 0.3376861214637756 } }, { "source": "CID:221493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "cholic-acid-actarit similarity", "source_label": "cholic-acid", "target_label": "actarit", "cosine_similarity": 0.6298176646232605 } }, { "source": "CID:4977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "proxyphylline-S-isopropylisothiourea similarity", "source_label": "proxyphylline", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.4849222600460052 } }, { "source": "CID:4238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "molsidomine-tetrahydrouridine similarity", "source_label": "molsidomine", "target_label": "tetrahydrouridine", "cosine_similarity": 0.8113574385643005 } }, { "source": "CID:2630179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "EMF-sumo1-12-fumonisin-b1 similarity", "source_label": "EMF-sumo1-12", "target_label": "fumonisin-b1", "cosine_similarity": 0.3725622296333313 } }, { "source": "CID:2895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "cyclobenzaprine-actarit similarity", "source_label": "cyclobenzaprine", "target_label": "actarit", "cosine_similarity": 0.4265751242637634 } }, { "source": "CID:66654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "xanthoxyline-tipiracil similarity", "source_label": "xanthoxyline", "target_label": "tipiracil", "cosine_similarity": 0.2955616414546966 } }, { "source": "CID:44484295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490224", "properties": { "id": "SA-90544-SA-101841 similarity", "source_label": "SA-90544", "target_label": "SA-101841", "cosine_similarity": 0.2664320766925812 } }, { "source": "CID:9880620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "piroxicam-estradiol-cypionate similarity", "source_label": "piroxicam", "target_label": "estradiol-cypionate", "cosine_similarity": 0.3347264230251312 } }, { "source": "CID:10127622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "selumetinib-AZD-8330 similarity", "source_label": "selumetinib", "target_label": "AZD-8330", "cosine_similarity": 0.8718810081481934 } }, { "source": "CID:4192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "midazolam-vorinostat similarity", "source_label": "midazolam", "target_label": "vorinostat", "cosine_similarity": 0.2287813276052475 } }, { "source": "CID:71158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "acamprosate-myricetin similarity", "source_label": "acamprosate", "target_label": "myricetin", "cosine_similarity": 0.2570371925830841 } }, { "source": "CID:9547215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "bufalin-cinobufagin similarity", "source_label": "bufalin", "target_label": "cinobufagin", "cosine_similarity": 0.8473522663116455 } }, { "source": "CID:65854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702069", "properties": { "id": "anpirtoline-hydrocortisone-hemisuccinate similarity", "source_label": "anpirtoline", "target_label": "hydrocortisone-hemisuccinate", "cosine_similarity": 0.2532632052898407 } }, { "source": "CID:65909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "zaldaride-tasquinimod similarity", "source_label": "zaldaride", "target_label": "tasquinimod", "cosine_similarity": 0.2942997217178345 } }, { "source": "CID:24772043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "tenovin-6-trifluoperazine similarity", "source_label": "tenovin-6", "target_label": "trifluoperazine", "cosine_similarity": 0.5316802859306335 } }, { "source": "CID:2293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9806489", "properties": { "id": "BAPTA-AM-ZK-164015 similarity", "source_label": "BAPTA-AM", "target_label": "ZK-164015", "cosine_similarity": 0.302323043346405 } }, { "source": "CID:323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "coumarin-serotonin similarity", "source_label": "coumarin", "target_label": "serotonin", "cosine_similarity": 0.3194234669208526 } }, { "source": "CID:6450813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53001", "properties": { "id": "indiplon-dazoxiben similarity", "source_label": "indiplon", "target_label": "dazoxiben", "cosine_similarity": 0.267141044139862 } }, { "source": "CID:2345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77991", "properties": { "id": "benzyl-benzoate-rivastigmine similarity", "source_label": "benzyl-benzoate", "target_label": "rivastigmine", "cosine_similarity": 0.2040450721979141 } }, { "source": "CID:44557636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "dipraglurant-rocuronium similarity", "source_label": "dipraglurant", "target_label": "rocuronium", "cosine_similarity": 0.3835532367229461 } }, { "source": "CID:71496458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24772043", "properties": { "id": "AZD-9291-tenovin-6 similarity", "source_label": "AZD-9291", "target_label": "tenovin-6", "cosine_similarity": 0.4458618462085724 } }, { "source": "CID:45281801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45281797", "properties": { "id": "VU-0365121-1-VU-0365117-1 similarity", "source_label": "VU-0365121-1", "target_label": "VU-0365117-1", "cosine_similarity": 0.4497483074665069 } }, { "source": "CID:10385095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "MST-312-VU-0418946-1 similarity", "source_label": "MST-312", "target_label": "VU-0418946-1", "cosine_similarity": 0.3795203566551208 } }, { "source": "CID:23760717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "CA-074-Me-NSC-632839 similarity", "source_label": "CA-074-Me", "target_label": "NSC-632839", "cosine_similarity": 0.5875365734100342 } }, { "source": "CID:3571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2819152", "properties": { "id": "HC-toxin-KM-00927 similarity", "source_label": "HC-toxin", "target_label": "KM-00927", "cosine_similarity": 0.8600348234176636 } }, { "source": "CID:24831714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "sotagliflozin-levosulpiride similarity", "source_label": "sotagliflozin", "target_label": "levosulpiride", "cosine_similarity": 0.170728325843811 } }, { "source": "CID:3277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "etazolate-paracetamol similarity", "source_label": "etazolate", "target_label": "paracetamol", "cosine_similarity": 0.306207001209259 } }, { "source": "CID:3736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "iopromide-MW-STK33-100 similarity", "source_label": "iopromide", "target_label": "MW-STK33-100", "cosine_similarity": 0.2086808532476425 } }, { "source": "CID:4592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "olomoucine-PSB-069 similarity", "source_label": "olomoucine", "target_label": "PSB-069", "cosine_similarity": 0.331450879573822 } }, { "source": "CID:73707538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "BG-1009-tacedinaline similarity", "source_label": "BG-1009", "target_label": "tacedinaline", "cosine_similarity": 0.3597642183303833 } }, { "source": "CID:126280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "indatraline-SA-1921456 similarity", "source_label": "indatraline", "target_label": "SA-1921456", "cosine_similarity": 0.4482963383197784 } }, { "source": "CID:82146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "bexarotene-meglitinide similarity", "source_label": "bexarotene", "target_label": "meglitinide", "cosine_similarity": 0.385378360748291 } }, { "source": "CID:4771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "phentermine-aliskiren similarity", "source_label": "phentermine", "target_label": "aliskiren", "cosine_similarity": 0.3247000277042389 } }, { "source": "CID:5328807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "tyrphostin-51-SJ-172550 similarity", "source_label": "tyrphostin-51", "target_label": "SJ-172550", "cosine_similarity": 0.2578584253787994 } }, { "source": "CID:4756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "phenazopyridine-BMS-536924 similarity", "source_label": "phenazopyridine", "target_label": "BMS-536924", "cosine_similarity": 0.3195863664150238 } }, { "source": "CID:4308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "NPC-15199-cortisone-acetate similarity", "source_label": "NPC-15199", "target_label": "cortisone-acetate", "cosine_similarity": 0.2774495780467987 } }, { "source": "CID:2040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "afloqualone-mCPP similarity", "source_label": "afloqualone", "target_label": "mCPP", "cosine_similarity": 0.3780159056186676 } }, { "source": "CID:155806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "MMPX-PT-630 similarity", "source_label": "MMPX", "target_label": "PT-630", "cosine_similarity": 0.3717643916606903 } }, { "source": "CID:135886612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "DAC-003-dexloxiglumide similarity", "source_label": "DAC-003", "target_label": "dexloxiglumide", "cosine_similarity": 0.4224661886692047 } }, { "source": "CID:44483259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "manumycin-a-pifithrin-mu similarity", "source_label": "manumycin-a", "target_label": "pifithrin-mu", "cosine_similarity": 0.7599320411682129 } }, { "source": "CID:68873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54585", "properties": { "id": "drospirenone-balsalazide similarity", "source_label": "drospirenone", "target_label": "balsalazide", "cosine_similarity": 0.2290034294128418 } }, { "source": "CID:54658844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657741", "properties": { "id": "SA-1457992-SA-1456039 similarity", "source_label": "SA-1457992", "target_label": "SA-1456039", "cosine_similarity": 0.2677794396877289 } }, { "source": "CID:65016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2481", "properties": { "id": "amprenavir-butalbital similarity", "source_label": "amprenavir", "target_label": "butalbital", "cosine_similarity": 0.2723574042320251 } }, { "source": "CID:6604915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "OMDM-2-niguldipine similarity", "source_label": "OMDM-2", "target_label": "niguldipine", "cosine_similarity": 0.2959344983100891 } }, { "source": "CID:10090485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "LY-2157299-mepivacaine similarity", "source_label": "LY-2157299", "target_label": "mepivacaine", "cosine_similarity": 0.3522899448871612 } }, { "source": "CID:25147679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707535", "properties": { "id": "diarylsulfonesulfonamide-BG-1006 similarity", "source_label": "diarylsulfonesulfonamide", "target_label": "BG-1006", "cosine_similarity": 0.2568429708480835 } }, { "source": "CID:2293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "BAPTA-AM-VU-0418939-2 similarity", "source_label": "BAPTA-AM", "target_label": "VU-0418939-2", "cosine_similarity": 0.291818767786026 } }, { "source": "CID:441289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3306", "properties": { "id": "pancuronium-etilefrine similarity", "source_label": "pancuronium", "target_label": "etilefrine", "cosine_similarity": 0.2230405211448669 } }, { "source": "CID:2375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "bicalutamide-rifabutin similarity", "source_label": "bicalutamide", "target_label": "rifabutin", "cosine_similarity": 0.5853350162506104 } }, { "source": "CID:446284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16043", "properties": { "id": "icosapent-tert-butylhydroquinone similarity", "source_label": "icosapent", "target_label": "tert-butylhydroquinone", "cosine_similarity": 0.2248001843690872 } }, { "source": "CID:73707419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "chromomycin-a3-CGP-60474 similarity", "source_label": "chromomycin-a3", "target_label": "CGP-60474", "cosine_similarity": 0.7306960225105286 } }, { "source": "CID:892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "inositol-molsidomine similarity", "source_label": "inositol", "target_label": "molsidomine", "cosine_similarity": 0.8139181733131409 } }, { "source": "CID:3998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "mafenide-minoxidil similarity", "source_label": "mafenide", "target_label": "minoxidil", "cosine_similarity": 0.3183658123016357 } }, { "source": "CID:5334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92786", "properties": { "id": "sulfanitran-eltanolone similarity", "source_label": "sulfanitran", "target_label": "eltanolone", "cosine_similarity": 0.5578817129135132 } }, { "source": "CID:71317558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "niguldipine-BIBU-1361 similarity", "source_label": "niguldipine", "target_label": "BIBU-1361", "cosine_similarity": 0.571417510509491 } }, { "source": "CID:1894361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124172", "properties": { "id": "AMN-082-SC-9 similarity", "source_label": "AMN-082", "target_label": "SC-9", "cosine_similarity": 0.2105430960655212 } }, { "source": "CID:1978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6337614", "properties": { "id": "acebutolol-palonosetron similarity", "source_label": "acebutolol", "target_label": "palonosetron", "cosine_similarity": 0.3909989893436432 } }, { "source": "CID:2327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "benserazide-NF-449 similarity", "source_label": "benserazide", "target_label": "NF-449", "cosine_similarity": 0.22641022503376 } }, { "source": "CID:26596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "parbendazole-ABT-751 similarity", "source_label": "parbendazole", "target_label": "ABT-751", "cosine_similarity": 0.8998599052429199 } }, { "source": "CID:4499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "nisoldipine-vemurafenib similarity", "source_label": "nisoldipine", "target_label": "vemurafenib", "cosine_similarity": 0.2793865799903869 } }, { "source": "CID:3342390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281881", "properties": { "id": "K-788-2192-flupentixol similarity", "source_label": "K-788-2192", "target_label": "flupentixol", "cosine_similarity": 0.2911896109580993 } }, { "source": "CID:16725726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "GSK-690693-taselisib similarity", "source_label": "GSK-690693", "target_label": "taselisib", "cosine_similarity": 0.4364588260650635 } }, { "source": "CID:5918561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73453", "properties": { "id": "ST-024029-ergocornine similarity", "source_label": "ST-024029", "target_label": "ergocornine", "cosine_similarity": 0.2951222062110901 } }, { "source": "CID:44500663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483932", "properties": { "id": "SA-89763-SA-423862 similarity", "source_label": "SA-89763", "target_label": "SA-423862", "cosine_similarity": 0.4249820113182068 } }, { "source": "CID:21785456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "KU-C103869-fumonisin-b1 similarity", "source_label": "KU-C103869", "target_label": "fumonisin-b1", "cosine_similarity": 0.3549304902553558 } }, { "source": "CID:60947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "tirofiban-nicotinamide similarity", "source_label": "tirofiban", "target_label": "nicotinamide", "cosine_similarity": 0.3101208209991455 } }, { "source": "CID:4581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54677407", "properties": { "id": "octopamine-robustic-acid similarity", "source_label": "octopamine", "target_label": "robustic-acid", "cosine_similarity": 0.2077696770429611 } }, { "source": "CID:49850262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "tubastatin-a-SB-939 similarity", "source_label": "tubastatin-a", "target_label": "SB-939", "cosine_similarity": 0.2616283595561981 } }, { "source": "CID:54657706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "SA-1459261-gabexate similarity", "source_label": "SA-1459261", "target_label": "gabexate", "cosine_similarity": 0.2425575107336044 } }, { "source": "CID:5281037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "eprosartan-alpha-tocopherol similarity", "source_label": "eprosartan", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2593301236629486 } }, { "source": "CID:2075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710736", "properties": { "id": "aklomide-troxerutin similarity", "source_label": "aklomide", "target_label": "troxerutin", "cosine_similarity": 0.3285254538059234 } }, { "source": "CID:3616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "hexamethylenebisacetamide-SB-683698 similarity", "source_label": "hexamethylenebisacetamide", "target_label": "SB-683698", "cosine_similarity": 0.2357178479433059 } }, { "source": "CID:44506630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "SA-247384-mocetinostat similarity", "source_label": "SA-247384", "target_label": "mocetinostat", "cosine_similarity": 0.4519299864768982 } }, { "source": "CID:6129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "carbaryl-DAC-003 similarity", "source_label": "carbaryl", "target_label": "DAC-003", "cosine_similarity": 0.2694312930107116 } }, { "source": "CID:5202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "serotonin-amisulpride similarity", "source_label": "serotonin", "target_label": "amisulpride", "cosine_similarity": 0.5217738151550293 } }, { "source": "CID:175540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5336", "properties": { "id": "atenolol-sulfapyridine similarity", "source_label": "atenolol", "target_label": "sulfapyridine", "cosine_similarity": 0.3213220834732055 } }, { "source": "CID:5362124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "benazepril-etomidate similarity", "source_label": "benazepril", "target_label": "etomidate", "cosine_similarity": 0.3515104055404663 } }, { "source": "CID:71203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "vinburnine-sofalcone similarity", "source_label": "vinburnine", "target_label": "sofalcone", "cosine_similarity": 0.469564825296402 } }, { "source": "CID:2685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:941650", "properties": { "id": "CGP-20712-thiothixene similarity", "source_label": "CGP-20712", "target_label": "thiothixene", "cosine_similarity": 0.2623384296894073 } }, { "source": "CID:108046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "BMY-14802-rilmenidine similarity", "source_label": "BMY-14802", "target_label": "rilmenidine", "cosine_similarity": 0.451100617647171 } }, { "source": "CID:73707525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "COL-3-tyrphostin-A9 similarity", "source_label": "COL-3", "target_label": "tyrphostin-A9", "cosine_similarity": 0.6232864260673523 } }, { "source": "CID:22094944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488994", "properties": { "id": "dinorcitalopram-oxalate-SA-89068 similarity", "source_label": "dinorcitalopram-oxalate", "target_label": "SA-89068", "cosine_similarity": 0.283645749092102 } }, { "source": "CID:3519541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4883", "properties": { "id": "CGP-13501-practolol similarity", "source_label": "CGP-13501", "target_label": "practolol", "cosine_similarity": 0.280766487121582 } }, { "source": "CID:57379345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "ceritinib-vandetanib similarity", "source_label": "ceritinib", "target_label": "vandetanib", "cosine_similarity": 0.5358967781066895 } }, { "source": "CID:5702107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "prednisolone-acetate-methylprednisolone similarity", "source_label": "prednisolone-acetate", "target_label": "methylprednisolone", "cosine_similarity": 0.3304624557495117 } }, { "source": "CID:54666570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "SA-1921456-STA-5326 similarity", "source_label": "SA-1921456", "target_label": "STA-5326", "cosine_similarity": 0.6197525262832642 } }, { "source": "CID:3059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "diflunisal-levosulpiride similarity", "source_label": "diflunisal", "target_label": "levosulpiride", "cosine_similarity": 0.3649251759052276 } }, { "source": "CID:125085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "p-aminophenethylspiperone-NNC-55-0396 similarity", "source_label": "p-aminophenethylspiperone", "target_label": "NNC-55-0396", "cosine_similarity": 0.5327133536338806 } }, { "source": "CID:1048267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "ML-161-GW-1929 similarity", "source_label": "ML-161", "target_label": "GW-1929", "cosine_similarity": 0.3652965128421783 } }, { "source": "CID:44386188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4091", "properties": { "id": "3-deazaadenosine-metformin similarity", "source_label": "3-deazaadenosine", "target_label": "metformin", "cosine_similarity": 0.3002892732620239 } }, { "source": "CID:68508601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "PT-630-zebularine similarity", "source_label": "PT-630", "target_label": "zebularine", "cosine_similarity": 0.5610138177871704 } }, { "source": "CID:4302962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2130404", "properties": { "id": "AM-281-AGK-2 similarity", "source_label": "AM-281", "target_label": "AGK-2", "cosine_similarity": 0.160889133810997 } }, { "source": "CID:69216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "5-methylhydantoin-NU-1025 similarity", "source_label": "5-methylhydantoin", "target_label": "NU-1025", "cosine_similarity": 0.244538128376007 } }, { "source": "CID:9891901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604789", "properties": { "id": "NGB-2904-RS-56812 similarity", "source_label": "NGB-2904", "target_label": "RS-56812", "cosine_similarity": 0.227207064628601 } }, { "source": "CID:3702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46883536", "properties": { "id": "indapamide-avagacestat similarity", "source_label": "indapamide", "target_label": "avagacestat", "cosine_similarity": 0.3508980572223663 } }, { "source": "CID:5694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "pirinixic-acid-phenothiazine similarity", "source_label": "pirinixic-acid", "target_label": "phenothiazine", "cosine_similarity": 0.276644766330719 } }, { "source": "CID:3247059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702106", "properties": { "id": "epoxycholesterol-prednisolone similarity", "source_label": "epoxycholesterol", "target_label": "prednisolone", "cosine_similarity": 0.2825666069984436 } }, { "source": "CID:2157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "amiodarone-GR-127935 similarity", "source_label": "amiodarone", "target_label": "GR-127935", "cosine_similarity": 0.5874460935592651 } }, { "source": "CID:5901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:235382", "properties": { "id": "azauridine-SIB-1893 similarity", "source_label": "azauridine", "target_label": "SIB-1893", "cosine_similarity": 0.2785611748695373 } }, { "source": "CID:4878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476986", "properties": { "id": "PP-2-blebbistatin similarity", "source_label": "PP-2", "target_label": "blebbistatin", "cosine_similarity": 0.5654541850090027 } }, { "source": "CID:129348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "PCO-400-L-ergothioneine similarity", "source_label": "PCO-400", "target_label": "L-ergothioneine", "cosine_similarity": 0.3000166714191437 } }, { "source": "CID:44143703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "KU-C103428N-emtricitabine similarity", "source_label": "KU-C103428N", "target_label": "emtricitabine", "cosine_similarity": 0.2835102081298828 } }, { "source": "CID:1918543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "MW-STK33-2B-MW-STK33-100 similarity", "source_label": "MW-STK33-2B", "target_label": "MW-STK33-100", "cosine_similarity": 0.7324272394180298 } }, { "source": "CID:439654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "scoulerine-lenalidomide similarity", "source_label": "scoulerine", "target_label": "lenalidomide", "cosine_similarity": 0.2855279445648193 } }, { "source": "CID:1981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "acemetacin-disopyramide similarity", "source_label": "acemetacin", "target_label": "disopyramide", "cosine_similarity": 0.2620445489883423 } }, { "source": "CID:5287969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "alvocidib-dinaciclib similarity", "source_label": "alvocidib", "target_label": "dinaciclib", "cosine_similarity": 0.8189011216163635 } }, { "source": "CID:6803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "tioguanine-RAF-265 similarity", "source_label": "tioguanine", "target_label": "RAF-265", "cosine_similarity": 0.3187771439552307 } }, { "source": "CID:5280953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "harmine-serotonin similarity", "source_label": "harmine", "target_label": "serotonin", "cosine_similarity": 0.4599202871322632 } }, { "source": "CID:6610281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "lithium-chloride-entecavir similarity", "source_label": "lithium-chloride", "target_label": "entecavir", "cosine_similarity": 0.4087949991226196 } }, { "source": "CID:3752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "irsogladine-minoxidil similarity", "source_label": "irsogladine", "target_label": "minoxidil", "cosine_similarity": 0.3025919198989868 } }, { "source": "CID:3354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129211", "properties": { "id": "flavoxate-tamsulosin similarity", "source_label": "flavoxate", "target_label": "tamsulosin", "cosine_similarity": 0.4122107923030853 } }, { "source": "CID:4533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488751", "properties": { "id": "nor-binaltorphimine-SA-422830 similarity", "source_label": "nor-binaltorphimine", "target_label": "SA-422830", "cosine_similarity": 0.2157657593488693 } }, { "source": "CID:16667713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377448", "properties": { "id": "tilmicosin-ML-281 similarity", "source_label": "tilmicosin", "target_label": "ML-281", "cosine_similarity": 0.203567162156105 } }, { "source": "CID:5816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "epinephrine-REV-5901 similarity", "source_label": "epinephrine", "target_label": "REV-5901", "cosine_similarity": 0.2973004281520843 } }, { "source": "CID:854019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "cotinine-polydatin similarity", "source_label": "cotinine", "target_label": "polydatin", "cosine_similarity": 0.3421448171138763 } }, { "source": "CID:53276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10745", "properties": { "id": "flupirtine-acetylsalicylsalicylic-acid similarity", "source_label": "flupirtine", "target_label": "acetylsalicylsalicylic-acid", "cosine_similarity": 0.3123204112052917 } }, { "source": "CID:2788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "clioquinol-conivaptan similarity", "source_label": "clioquinol", "target_label": "conivaptan", "cosine_similarity": 0.3131592571735382 } }, { "source": "CID:3494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "glycopyrrolate-bucladesine similarity", "source_label": "glycopyrrolate", "target_label": "bucladesine", "cosine_similarity": 0.392479658126831 } }, { "source": "CID:6604931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "aminopurvalanol-a-doxorubicin similarity", "source_label": "aminopurvalanol-a", "target_label": "doxorubicin", "cosine_similarity": 0.4946682751178741 } }, { "source": "CID:72193870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "QW-BI-011-VU-0418934-2 similarity", "source_label": "QW-BI-011", "target_label": "VU-0418934-2", "cosine_similarity": 0.3016964793205261 } }, { "source": "CID:439620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "oxalomalic-acid-HO-013 similarity", "source_label": "oxalomalic-acid", "target_label": "HO-013", "cosine_similarity": 0.3172679245471954 } }, { "source": "CID:4684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9860529", "properties": { "id": "parachlorophenol-NU-7026 similarity", "source_label": "parachlorophenol", "target_label": "NU-7026", "cosine_similarity": 0.236528530716896 } }, { "source": "CID:5065494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2803", "properties": { "id": "K784-3391-clonidine similarity", "source_label": "K784-3391", "target_label": "clonidine", "cosine_similarity": 0.2114885449409485 } }, { "source": "CID:5369129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "kavain-PT-630 similarity", "source_label": "kavain", "target_label": "PT-630", "cosine_similarity": 0.3226799964904785 } }, { "source": "CID:6436393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "carbacyclin-orciprenaline similarity", "source_label": "carbacyclin", "target_label": "orciprenaline", "cosine_similarity": 0.2721935212612152 } }, { "source": "CID:54658498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657953", "properties": { "id": "SA-1459167-SA-1456195 similarity", "source_label": "SA-1459167", "target_label": "SA-1456195", "cosine_similarity": 0.4274690747261047 } }, { "source": "CID:49766518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "TL-HRAS-24-SA-792709 similarity", "source_label": "TL-HRAS-24", "target_label": "SA-792709", "cosine_similarity": 0.3708062171936035 } }, { "source": "CID:2782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4235", "properties": { "id": "clemizole-moclobemide similarity", "source_label": "clemizole", "target_label": "moclobemide", "cosine_similarity": 0.3324747383594513 } }, { "source": "CID:456201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "ketoconazole-amiodarone similarity", "source_label": "ketoconazole", "target_label": "amiodarone", "cosine_similarity": 0.2721820771694183 } }, { "source": "CID:23789067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:139032007", "properties": { "id": "sisomicin-avermectin similarity", "source_label": "sisomicin", "target_label": "avermectin", "cosine_similarity": 0.2172180116176605 } }, { "source": "CID:53315882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "UNC-0646-PD-98059 similarity", "source_label": "UNC-0646", "target_label": "PD-98059", "cosine_similarity": 0.1585672795772552 } }, { "source": "CID:45489447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "VU-0415555-1-sorafenib similarity", "source_label": "VU-0415555-1", "target_label": "sorafenib", "cosine_similarity": 0.264538437128067 } }, { "source": "CID:13109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "levonorgestrel-estradiol-cypionate similarity", "source_label": "levonorgestrel", "target_label": "estradiol-cypionate", "cosine_similarity": 0.4075400829315185 } }, { "source": "CID:72894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "2-aminobenzenesulfonamide-KIN001-269 similarity", "source_label": "2-aminobenzenesulfonamide", "target_label": "KIN001-269", "cosine_similarity": 0.2801693081855774 } }, { "source": "CID:91668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "nomegestrol-acetate-MW-STK33-4C similarity", "source_label": "nomegestrol-acetate", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2537586092948913 } }, { "source": "CID:42636535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "A-66-taselisib similarity", "source_label": "A-66", "target_label": "taselisib", "cosine_similarity": 0.4414544403553009 } }, { "source": "CID:187079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "EMD-53998-picolinic-acid similarity", "source_label": "EMD-53998", "target_label": "picolinic-acid", "cosine_similarity": 0.2285767346620559 } }, { "source": "CID:44630538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121926", "properties": { "id": "KU-C104254-ZK-93423 similarity", "source_label": "KU-C104254", "target_label": "ZK-93423", "cosine_similarity": 0.2235062569379806 } }, { "source": "CID:10099206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "LB-42708-sirolimus similarity", "source_label": "LB-42708", "target_label": "sirolimus", "cosine_similarity": 0.4338218569755554 } }, { "source": "CID:3166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "drofenine-IDRA-21 similarity", "source_label": "drofenine", "target_label": "IDRA-21", "cosine_similarity": 0.5392138957977295 } }, { "source": "CID:71360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "iloperidone-CAY-10594 similarity", "source_label": "iloperidone", "target_label": "CAY-10594", "cosine_similarity": 0.3043339550495147 } }, { "source": "CID:108137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "SCH-28080-dipyridamole similarity", "source_label": "SCH-28080", "target_label": "dipyridamole", "cosine_similarity": 0.4004068672657013 } }, { "source": "CID:3177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "DUP-697-vortioxetine similarity", "source_label": "DUP-697", "target_label": "vortioxetine", "cosine_similarity": 0.2389236688613891 } }, { "source": "CID:5546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "triamterene-berberine similarity", "source_label": "triamterene", "target_label": "berberine", "cosine_similarity": 0.2720550000667572 } }, { "source": "CID:115113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "L-701324-levosulpiride similarity", "source_label": "L-701324", "target_label": "levosulpiride", "cosine_similarity": 0.2711237967014313 } }, { "source": "CID:11957615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "lisuride-DR-2313 similarity", "source_label": "lisuride", "target_label": "DR-2313", "cosine_similarity": 0.2537847757339477 } }, { "source": "CID:16061185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "mead-ethanolamide-zebularine similarity", "source_label": "mead-ethanolamide", "target_label": "zebularine", "cosine_similarity": 0.3141825795173645 } }, { "source": "CID:612556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5374", "properties": { "id": "dihydroptaeroxylin-talipexole similarity", "source_label": "dihydroptaeroxylin", "target_label": "talipexole", "cosine_similarity": 0.2288703322410583 } }, { "source": "CID:152946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "moxifloxacin-GW-5074 similarity", "source_label": "moxifloxacin", "target_label": "GW-5074", "cosine_similarity": 0.4212774038314819 } }, { "source": "CID:3003565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "wortmannin-GDC-0980 similarity", "source_label": "wortmannin", "target_label": "GDC-0980", "cosine_similarity": 0.687599241733551 } }, { "source": "CID:11493598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "FR-180204-GW-5074 similarity", "source_label": "FR-180204", "target_label": "GW-5074", "cosine_similarity": 0.3788890242576599 } }, { "source": "CID:16118392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:87217390", "properties": { "id": "golvatinib-SU-014813 similarity", "source_label": "golvatinib", "target_label": "SU-014813", "cosine_similarity": 0.3316355347633362 } }, { "source": "CID:54596143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "TUL-XX023-MW-STK33-100 similarity", "source_label": "TUL-XX023", "target_label": "MW-STK33-100", "cosine_similarity": 0.708284854888916 } }, { "source": "CID:643951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122327", "properties": { "id": "necrostatin-1-CI-976 similarity", "source_label": "necrostatin-1", "target_label": "CI-976", "cosine_similarity": 0.3494701981544494 } }, { "source": "CID:54614219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-441092-SA-1459213 similarity", "source_label": "SA-441092", "target_label": "SA-1459213", "cosine_similarity": 0.2965193688869476 } }, { "source": "CID:4705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65457", "properties": { "id": "PD-153035-bropirimine similarity", "source_label": "PD-153035", "target_label": "bropirimine", "cosine_similarity": 0.2217379659414291 } }, { "source": "CID:31404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "butylated-hydroxytoluene-phenyl-aminosalicylate similarity", "source_label": "butylated-hydroxytoluene", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.4827158749103546 } }, { "source": "CID:2749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "ciclopirox-VU-0418946-1 similarity", "source_label": "ciclopirox", "target_label": "VU-0418946-1", "cosine_similarity": 0.6450034976005554 } }, { "source": "CID:4735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "pentamidine-cinoxacin similarity", "source_label": "pentamidine", "target_label": "cinoxacin", "cosine_similarity": 0.4186775684356689 } }, { "source": "CID:135688221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "AT-CSC-07-sorafenib similarity", "source_label": "AT-CSC-07", "target_label": "sorafenib", "cosine_similarity": 0.2292263656854629 } }, { "source": "CID:4914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "procaine-LY-2365109 similarity", "source_label": "procaine", "target_label": "LY-2365109", "cosine_similarity": 0.3890526890754699 } }, { "source": "CID:44551660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "CP-466722-sorafenib similarity", "source_label": "CP-466722", "target_label": "sorafenib", "cosine_similarity": 0.433716744184494 } }, { "source": "CID:5277135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22152353", "properties": { "id": "elvitegravir-ORG-9768 similarity", "source_label": "elvitegravir", "target_label": "ORG-9768", "cosine_similarity": 0.3392884135246277 } }, { "source": "CID:3675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "phenelzine-amisulpride similarity", "source_label": "phenelzine", "target_label": "amisulpride", "cosine_similarity": 0.4388653337955475 } }, { "source": "CID:73707453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "benzathine-lodoxamide similarity", "source_label": "benzathine", "target_label": "lodoxamide", "cosine_similarity": 0.1752665042877197 } }, { "source": "CID:42611257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "vemurafenib-Ro-28-1675 similarity", "source_label": "vemurafenib", "target_label": "Ro-28-1675", "cosine_similarity": 0.6395214796066284 } }, { "source": "CID:3752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "irsogladine-ketotifen similarity", "source_label": "irsogladine", "target_label": "ketotifen", "cosine_similarity": 0.3296903371810913 } }, { "source": "CID:76525291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "RG7112-NNC-55-0396 similarity", "source_label": "RG7112", "target_label": "NNC-55-0396", "cosine_similarity": 0.442055344581604 } }, { "source": "CID:34312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "oxcarbazepine-iniparib similarity", "source_label": "oxcarbazepine", "target_label": "iniparib", "cosine_similarity": 0.3143109083175659 } }, { "source": "CID:73707461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "flucloxacillin-genipin similarity", "source_label": "flucloxacillin", "target_label": "genipin", "cosine_similarity": 0.2636096775531769 } }, { "source": "CID:53347979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "BG-STK33-03-TUL-XX023 similarity", "source_label": "BG-STK33-03", "target_label": "TUL-XX023", "cosine_similarity": 0.6543061137199402 } }, { "source": "CID:46912230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "SB-2343-KU-0063794 similarity", "source_label": "SB-2343", "target_label": "KU-0063794", "cosine_similarity": 0.708084762096405 } }, { "source": "CID:2119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "alprenolol-XAV-939 similarity", "source_label": "alprenolol", "target_label": "XAV-939", "cosine_similarity": 0.2095057219266891 } }, { "source": "CID:5190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4634", "properties": { "id": "DPI-201106-oxybutynin similarity", "source_label": "DPI-201106", "target_label": "oxybutynin", "cosine_similarity": 0.3776619434356689 } }, { "source": "CID:3038522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "tandutinib-atorvastatin similarity", "source_label": "tandutinib", "target_label": "atorvastatin", "cosine_similarity": 0.5912392735481262 } }, { "source": "CID:1201549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4886", "properties": { "id": "benzatropine-pramocaine similarity", "source_label": "benzatropine", "target_label": "pramocaine", "cosine_similarity": 0.2761062383651733 } }, { "source": "CID:107641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "indobufen-ropinirole similarity", "source_label": "indobufen", "target_label": "ropinirole", "cosine_similarity": 0.3559462428092956 } }, { "source": "CID:5362116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "delapril-rutin similarity", "source_label": "delapril", "target_label": "rutin", "cosine_similarity": 0.2592913210391998 } }, { "source": "CID:5311042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "CGP-55845-marbofloxacin similarity", "source_label": "CGP-55845", "target_label": "marbofloxacin", "cosine_similarity": 0.3218497633934021 } }, { "source": "CID:54657714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187611", "properties": { "id": "SA-1457305-SA-1939838 similarity", "source_label": "SA-1457305", "target_label": "SA-1939838", "cosine_similarity": 0.2605808675289154 } }, { "source": "CID:6443013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "HO-013-RG-108 similarity", "source_label": "HO-013", "target_label": "RG-108", "cosine_similarity": 0.362461119890213 } }, { "source": "CID:123630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "tazobactam-linsidomine similarity", "source_label": "tazobactam", "target_label": "linsidomine", "cosine_similarity": 0.5062384605407715 } }, { "source": "CID:2756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "cimetidine-rilmenidine similarity", "source_label": "cimetidine", "target_label": "rilmenidine", "cosine_similarity": 0.4014022350311279 } }, { "source": "CID:5497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "nikethamide-emedastine similarity", "source_label": "nikethamide", "target_label": "emedastine", "cosine_similarity": 0.3713747262954712 } }, { "source": "CID:110635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2196", "properties": { "id": "tadalafil-aniracetam similarity", "source_label": "tadalafil", "target_label": "aniracetam", "cosine_similarity": 0.3217891752719879 } }, { "source": "CID:3688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "IDRA-21-dichlorophen similarity", "source_label": "IDRA-21", "target_label": "dichlorophen", "cosine_similarity": 0.4468269646167755 } }, { "source": "CID:23786513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710754", "properties": { "id": "NK26-I-41-1-irilin-a similarity", "source_label": "NK26-I-41-1", "target_label": "irilin-a", "cosine_similarity": 0.2426775991916656 } }, { "source": "CID:135179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "EMD-41000-salicyl-alcohol similarity", "source_label": "EMD-41000", "target_label": "salicyl-alcohol", "cosine_similarity": 0.2126714140176773 } }, { "source": "CID:5870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "estrone-EX-527 similarity", "source_label": "estrone", "target_label": "EX-527", "cosine_similarity": 0.424180120229721 } }, { "source": "CID:674282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "ST-001903-chelidonine similarity", "source_label": "ST-001903", "target_label": "chelidonine", "cosine_similarity": 0.3125146627426147 } }, { "source": "CID:361510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "emodic-acid-SN-38 similarity", "source_label": "emodic-acid", "target_label": "SN-38", "cosine_similarity": 0.3128403425216675 } }, { "source": "CID:65351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "pyrrolidine-dithiocarbamate-NSC-632839 similarity", "source_label": "pyrrolidine-dithiocarbamate", "target_label": "NSC-632839", "cosine_similarity": 0.6152760982513428 } }, { "source": "CID:4893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "prazosin-iproniazid similarity", "source_label": "prazosin", "target_label": "iproniazid", "cosine_similarity": 0.3066101372241974 } }, { "source": "CID:6473866", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "tacrolimus-neratinib similarity", "source_label": "tacrolimus", "target_label": "neratinib", "cosine_similarity": 0.396880179643631 } }, { "source": "CID:7184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3106", "properties": { "id": "butylparaben-dipropyl-dopamine similarity", "source_label": "butylparaben", "target_label": "dipropyl-dopamine", "cosine_similarity": 0.242484450340271 } }, { "source": "CID:3995234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "FGIN-1-43-tipiracil similarity", "source_label": "FGIN-1-43", "target_label": "tipiracil", "cosine_similarity": 0.2356086522340774 } }, { "source": "CID:121396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:938", "properties": { "id": "carglumic-acid-niacin similarity", "source_label": "carglumic-acid", "target_label": "niacin", "cosine_similarity": 0.4603323340415954 } }, { "source": "CID:54668617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-1919248-SA-441181 similarity", "source_label": "SA-1919248", "target_label": "SA-441181", "cosine_similarity": 0.3494516909122467 } }, { "source": "CID:119031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "marimastat-aliskiren similarity", "source_label": "marimastat", "target_label": "aliskiren", "cosine_similarity": 0.2688847482204437 } }, { "source": "CID:688272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "levosulpiride-marbofloxacin similarity", "source_label": "levosulpiride", "target_label": "marbofloxacin", "cosine_similarity": 0.5691376328468323 } }, { "source": "CID:9910224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "zibotentan-paraxanthine similarity", "source_label": "zibotentan", "target_label": "paraxanthine", "cosine_similarity": 0.3018195629119873 } }, { "source": "CID:9796068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "iniparib-amikacin similarity", "source_label": "iniparib", "target_label": "amikacin", "cosine_similarity": 0.7426267862319946 } }, { "source": "CID:72390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281037", "properties": { "id": "thiazolidinecarboxylic-acid-eprosartan similarity", "source_label": "thiazolidinecarboxylic-acid", "target_label": "eprosartan", "cosine_similarity": 0.231251835823059 } }, { "source": "CID:135976680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "BIX-02188-RAF-265 similarity", "source_label": "BIX-02188", "target_label": "RAF-265", "cosine_similarity": 0.3522665202617645 } }, { "source": "CID:44246715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9904854", "properties": { "id": "metacycline-R-112 similarity", "source_label": "metacycline", "target_label": "R-112", "cosine_similarity": 0.2223550975322723 } }, { "source": "CID:5564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "triclosan-nelfinavir similarity", "source_label": "triclosan", "target_label": "nelfinavir", "cosine_similarity": 0.4016531705856323 } }, { "source": "CID:24946690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4735", "properties": { "id": "bitopertin-pentamidine similarity", "source_label": "bitopertin", "target_label": "pentamidine", "cosine_similarity": 0.5313659310340881 } }, { "source": "CID:6439848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4084010", "properties": { "id": "eicosadienoic-acid-EMF-sumo1-1 similarity", "source_label": "eicosadienoic-acid", "target_label": "EMF-sumo1-1", "cosine_similarity": 0.2165281474590301 } }, { "source": "CID:11749858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "PCI-24781-dacinostat similarity", "source_label": "PCI-24781", "target_label": "dacinostat", "cosine_similarity": 0.9085165858268738 } }, { "source": "CID:46843772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46844147", "properties": { "id": "XMD-892-XMD-885 similarity", "source_label": "XMD-892", "target_label": "XMD-885", "cosine_similarity": 0.7290952801704407 } }, { "source": "CID:44503122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-101776-SA-1921996 similarity", "source_label": "SA-101776", "target_label": "SA-1921996", "cosine_similarity": 0.4036514163017273 } }, { "source": "CID:4497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "nimodipine-DL-TBOA similarity", "source_label": "nimodipine", "target_label": "DL-TBOA", "cosine_similarity": 0.4026152491569519 } }, { "source": "CID:2554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "carbamazepine-APO-866 similarity", "source_label": "carbamazepine", "target_label": "APO-866", "cosine_similarity": 0.4963581562042236 } }, { "source": "CID:9429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2736690", "properties": { "id": "thioproperazine-IBC-293 similarity", "source_label": "thioproperazine", "target_label": "IBC-293", "cosine_similarity": 0.2399524301290512 } }, { "source": "CID:4277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311100", "properties": { "id": "dicyclohexylurea-fluprostenol similarity", "source_label": "dicyclohexylurea", "target_label": "fluprostenol", "cosine_similarity": 0.2339065670967102 } }, { "source": "CID:70680410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "MW-SHH-98-chloroquine similarity", "source_label": "MW-SHH-98", "target_label": "chloroquine", "cosine_similarity": 0.2392873913049698 } }, { "source": "CID:35375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "etofenamate-aclidinium similarity", "source_label": "etofenamate", "target_label": "aclidinium", "cosine_similarity": 0.3419096171855926 } }, { "source": "CID:54655704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186794", "properties": { "id": "SA-1462738-SA-1939064 similarity", "source_label": "SA-1462738", "target_label": "SA-1939064", "cosine_similarity": 0.4073704481124878 } }, { "source": "CID:5288209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "fenretinide-SA-792709 similarity", "source_label": "fenretinide", "target_label": "SA-792709", "cosine_similarity": 0.5885267853736877 } }, { "source": "CID:6127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57364", "properties": { "id": "diphemanil-carmoxirole similarity", "source_label": "diphemanil", "target_label": "carmoxirole", "cosine_similarity": 0.278775691986084 } }, { "source": "CID:54596134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659991", "properties": { "id": "TUL_XXI035-SA-1456576 similarity", "source_label": "TUL_XXI035", "target_label": "SA-1456576", "cosine_similarity": 0.2610309720039367 } }, { "source": "CID:23891514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "I-606061-I-606051 similarity", "source_label": "I-606061", "target_label": "I-606051", "cosine_similarity": 0.8102016448974609 } }, { "source": "CID:9826528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "PD-0325901-selumetinib similarity", "source_label": "PD-0325901", "target_label": "selumetinib", "cosine_similarity": 0.9218671321868896 } }, { "source": "CID:6128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "androstenedione-minoxidil similarity", "source_label": "androstenedione", "target_label": "minoxidil", "cosine_similarity": 0.2519947290420532 } }, { "source": "CID:5318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "sulconazole-CGP-71683 similarity", "source_label": "sulconazole", "target_label": "CGP-71683", "cosine_similarity": 0.5243573188781738 } }, { "source": "CID:10302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "salsolidine-sulfamethoxypyridazine similarity", "source_label": "salsolidine", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.2193469405174255 } }, { "source": "CID:2722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "chloroxine-dabrafenib similarity", "source_label": "chloroxine", "target_label": "dabrafenib", "cosine_similarity": 0.3937713205814361 } }, { "source": "CID:3894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6334600", "properties": { "id": "lavendustin-a-hyoscyamine similarity", "source_label": "lavendustin-a", "target_label": "hyoscyamine", "cosine_similarity": 0.2181451618671417 } }, { "source": "CID:2160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "amitriptyline-clomipramine similarity", "source_label": "amitriptyline", "target_label": "clomipramine", "cosine_similarity": 0.6791377067565918 } }, { "source": "CID:3784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "isradipine-losartan similarity", "source_label": "isradipine", "target_label": "losartan", "cosine_similarity": 0.4074664711952209 } }, { "source": "CID:9961192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "L-161982-guanabenz similarity", "source_label": "L-161982", "target_label": "guanabenz", "cosine_similarity": 0.3506007492542267 } }, { "source": "CID:44618204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "SD-6-035-A7-cephalothin similarity", "source_label": "SD-6-035-A7", "target_label": "cephalothin", "cosine_similarity": 0.2584857642650604 } }, { "source": "CID:44488194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668627", "properties": { "id": "SA-426029-SA-1922659 similarity", "source_label": "SA-426029", "target_label": "SA-1922659", "cosine_similarity": 0.3286971151828766 } }, { "source": "CID:6443013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610267", "properties": { "id": "HO-013-EI-231 similarity", "source_label": "HO-013", "target_label": "EI-231", "cosine_similarity": 0.3853660225868225 } }, { "source": "CID:72016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "efaroxan-emtricitabine similarity", "source_label": "efaroxan", "target_label": "emtricitabine", "cosine_similarity": 0.2479076534509658 } }, { "source": "CID:1935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "tacrine-dienestrol similarity", "source_label": "tacrine", "target_label": "dienestrol", "cosine_similarity": 0.3072697222232818 } }, { "source": "CID:17755052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "GDC-0941-PI-103 similarity", "source_label": "GDC-0941", "target_label": "PI-103", "cosine_similarity": 0.6998519897460938 } }, { "source": "CID:1687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "3-CPMT-phenothrin similarity", "source_label": "3-CPMT", "target_label": "phenothrin", "cosine_similarity": 0.7080811262130737 } }, { "source": "CID:71157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "nefiracetam-dorzolamide similarity", "source_label": "nefiracetam", "target_label": "dorzolamide", "cosine_similarity": 0.4288043081760406 } }, { "source": "CID:4178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "mexiletine-SA-89763 similarity", "source_label": "mexiletine", "target_label": "SA-89763", "cosine_similarity": 0.2733967304229736 } }, { "source": "CID:3351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710736", "properties": { "id": "fipexide-troxerutin similarity", "source_label": "fipexide", "target_label": "troxerutin", "cosine_similarity": 0.2542027235031128 } }, { "source": "CID:6307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442428", "properties": { "id": "quinethazone-naringin similarity", "source_label": "quinethazone", "target_label": "naringin", "cosine_similarity": 0.2808820605278015 } }, { "source": "CID:22752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820633", "properties": { "id": "lobendazole-KM-04501 similarity", "source_label": "lobendazole", "target_label": "KM-04501", "cosine_similarity": 0.2371097654104232 } }, { "source": "CID:68093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "dipyrocetyl-2-phenylmelatonin similarity", "source_label": "dipyrocetyl", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.5407534837722778 } }, { "source": "CID:9797857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "AR-C133057XX-serotonin similarity", "source_label": "AR-C133057XX", "target_label": "serotonin", "cosine_similarity": 0.5930619239807129 } }, { "source": "CID:9950038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119376", "properties": { "id": "SB-205607-GR-113808 similarity", "source_label": "SB-205607", "target_label": "GR-113808", "cosine_similarity": 0.227482259273529 } }, { "source": "CID:10052040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "CP-945598-deforolimus similarity", "source_label": "CP-945598", "target_label": "deforolimus", "cosine_similarity": 0.3108673095703125 } }, { "source": "CID:54654441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494000", "properties": { "id": "SA-1480001-SA-243423 similarity", "source_label": "SA-1480001", "target_label": "SA-243423", "cosine_similarity": 0.2397080659866333 } }, { "source": "CID:126280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "indatraline-RS-17053 similarity", "source_label": "indatraline", "target_label": "RS-17053", "cosine_similarity": 0.4587531387805938 } }, { "source": "CID:44462705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "KU-C103654-diethylcarbamazine similarity", "source_label": "KU-C103654", "target_label": "diethylcarbamazine", "cosine_similarity": 0.2625060081481933 } }, { "source": "CID:54671008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "raltegravir-rilmenidine similarity", "source_label": "raltegravir", "target_label": "rilmenidine", "cosine_similarity": 0.4268494844436645 } }, { "source": "CID:679758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "ST-209453-glutamine similarity", "source_label": "ST-209453", "target_label": "glutamine", "cosine_similarity": 0.320575475692749 } }, { "source": "CID:2275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "sodium-gualenate-linsidomine similarity", "source_label": "sodium-gualenate", "target_label": "linsidomine", "cosine_similarity": 0.5665916800498962 } }, { "source": "CID:35370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51755", "properties": { "id": "zidovudine-fenticonazole similarity", "source_label": "zidovudine", "target_label": "fenticonazole", "cosine_similarity": 0.5143972039222717 } }, { "source": "CID:60663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "mibefradil-CAM-9-027-3 similarity", "source_label": "mibefradil", "target_label": "CAM-9-027-3", "cosine_similarity": 0.4770671129226684 } }, { "source": "CID:481747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "ryuvidine-NSC-663284 similarity", "source_label": "ryuvidine", "target_label": "NSC-663284", "cosine_similarity": 0.720749020576477 } }, { "source": "CID:25419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "clodronic-acid-probucol similarity", "source_label": "clodronic-acid", "target_label": "probucol", "cosine_similarity": 0.2223808616399765 } }, { "source": "CID:44505047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657710", "properties": { "id": "SA-419083-SA-1456508 similarity", "source_label": "SA-419083", "target_label": "SA-1456508", "cosine_similarity": 0.264232873916626 } }, { "source": "CID:2724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "chlorphensin-SA-417716 similarity", "source_label": "chlorphensin", "target_label": "SA-417716", "cosine_similarity": 0.2555304169654846 } }, { "source": "CID:54658651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-1456170-SA-1459213 similarity", "source_label": "SA-1456170", "target_label": "SA-1459213", "cosine_similarity": 0.595215380191803 } }, { "source": "CID:46172903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "VU-0418000-1-atorvastatin similarity", "source_label": "VU-0418000-1", "target_label": "atorvastatin", "cosine_similarity": 0.2911941111087799 } }, { "source": "CID:73707519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657758", "properties": { "id": "chlortetracycline-SA-1459020 similarity", "source_label": "chlortetracycline", "target_label": "SA-1459020", "cosine_similarity": 0.229683443903923 } }, { "source": "CID:118176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:781301", "properties": { "id": "centpropazine-ML-133 similarity", "source_label": "centpropazine", "target_label": "ML-133", "cosine_similarity": 0.2076634019613266 } }, { "source": "CID:5283731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5169", "properties": { "id": "calcifediol-SB-202190 similarity", "source_label": "calcifediol", "target_label": "SB-202190", "cosine_similarity": 0.2463951855897903 } }, { "source": "CID:53235510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "NVP-BGJ398-PD-0325901 similarity", "source_label": "NVP-BGJ398", "target_label": "PD-0325901", "cosine_similarity": 0.3531617224216461 } }, { "source": "CID:73265211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11175137", "properties": { "id": "XMD-1499-AT-7867 similarity", "source_label": "XMD-1499", "target_label": "AT-7867", "cosine_similarity": 0.350113034248352 } }, { "source": "CID:9829523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "midostaurin-BMS-754807 similarity", "source_label": "midostaurin", "target_label": "BMS-754807", "cosine_similarity": 0.4610967636108398 } }, { "source": "CID:5388962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "enalapril-tiapride similarity", "source_label": "enalapril", "target_label": "tiapride", "cosine_similarity": 0.4376783668994903 } }, { "source": "CID:4615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "oxatomide-camostat-mesilate similarity", "source_label": "oxatomide", "target_label": "camostat-mesilate", "cosine_similarity": 0.4035862982273102 } }, { "source": "CID:4674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "pamidronate-tasquinimod similarity", "source_label": "pamidronate", "target_label": "tasquinimod", "cosine_similarity": 0.191996693611145 } }, { "source": "CID:70680411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "AT1-SHH-29-BG-STK33-55 similarity", "source_label": "AT1-SHH-29", "target_label": "BG-STK33-55", "cosine_similarity": 0.298183411359787 } }, { "source": "CID:2747117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "BI-78D3-manumycin-a similarity", "source_label": "BI-78D3", "target_label": "manumycin-a", "cosine_similarity": 0.4643582701683044 } }, { "source": "CID:2736301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "TBEP-zebularine similarity", "source_label": "TBEP", "target_label": "zebularine", "cosine_similarity": 0.3018993437290191 } }, { "source": "CID:4101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4099", "properties": { "id": "methenamine-metharbital similarity", "source_label": "methenamine", "target_label": "metharbital", "cosine_similarity": 0.220518946647644 } }, { "source": "CID:16760141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "moxidectin-bemegride similarity", "source_label": "moxidectin", "target_label": "bemegride", "cosine_similarity": 0.3935215473175049 } }, { "source": "CID:5775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "phentolamine-L-citrulline similarity", "source_label": "phentolamine", "target_label": "L-citrulline", "cosine_similarity": 0.2843282520771026 } }, { "source": "CID:5280704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "cosmosiin-selinidin similarity", "source_label": "cosmosiin", "target_label": "selinidin", "cosine_similarity": 0.4126250445842743 } }, { "source": "CID:5281565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155806", "properties": { "id": "kawain-MMPX similarity", "source_label": "kawain", "target_label": "MMPX", "cosine_similarity": 0.2786709070205688 } }, { "source": "CID:3838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "KN-62-BIBU-1361 similarity", "source_label": "KN-62", "target_label": "BIBU-1361", "cosine_similarity": 0.5362160205841064 } }, { "source": "CID:27559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "PNU-22394-lenalidomide similarity", "source_label": "PNU-22394", "target_label": "lenalidomide", "cosine_similarity": 0.33563432097435 } }, { "source": "CID:45006145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "hydrocortisone-valerate-methylprednisolone similarity", "source_label": "hydrocortisone-valerate", "target_label": "methylprednisolone", "cosine_similarity": 0.3161675333976745 } }, { "source": "CID:6445562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "pelitinib-erlotinib similarity", "source_label": "pelitinib", "target_label": "erlotinib", "cosine_similarity": 0.6079968214035034 } }, { "source": "CID:51755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5385074", "properties": { "id": "fenticonazole-kakonein similarity", "source_label": "fenticonazole", "target_label": "kakonein", "cosine_similarity": 0.4039584696292877 } }, { "source": "CID:73157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3906894", "properties": { "id": "lobaric-acid-WAY-161503 similarity", "source_label": "lobaric-acid", "target_label": "WAY-161503", "cosine_similarity": 0.226663202047348 } }, { "source": "CID:5534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "tremorine-gossypin similarity", "source_label": "tremorine", "target_label": "gossypin", "cosine_similarity": 0.2902692258358001 } }, { "source": "CID:54668959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1919710-SA-101686 similarity", "source_label": "SA-1919710", "target_label": "SA-101686", "cosine_similarity": 0.3081890344619751 } }, { "source": "CID:6519698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "JIB04-SC-144 similarity", "source_label": "JIB04", "target_label": "SC-144", "cosine_similarity": 0.5257806777954102 } }, { "source": "CID:46695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "salsoline-iodoquinol similarity", "source_label": "salsoline", "target_label": "iodoquinol", "cosine_similarity": 0.2973195910453796 } }, { "source": "CID:73707545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5352062", "properties": { "id": "BG-1028-romidepsin similarity", "source_label": "BG-1028", "target_label": "romidepsin", "cosine_similarity": 0.5014785528182983 } }, { "source": "CID:44488194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-426029-SA-85148 similarity", "source_label": "SA-426029", "target_label": "SA-85148", "cosine_similarity": 0.4733908772468567 } }, { "source": "CID:10071196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "pimavanserin-clofibric-acid similarity", "source_label": "pimavanserin", "target_label": "clofibric-acid", "cosine_similarity": 0.5035318732261658 } }, { "source": "CID:4107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "methocarbamol-ropinirole similarity", "source_label": "methocarbamol", "target_label": "ropinirole", "cosine_similarity": 0.4256430566310882 } }, { "source": "CID:54659344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-1457415-SA-1459213 similarity", "source_label": "SA-1457415", "target_label": "SA-1459213", "cosine_similarity": 0.3598045110702514 } }, { "source": "CID:51081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "pefloxacin-ARG-CSC-91 similarity", "source_label": "pefloxacin", "target_label": "ARG-CSC-91", "cosine_similarity": 0.2384909838438034 } }, { "source": "CID:54657714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3272300", "properties": { "id": "SA-1457305-SB-203186 similarity", "source_label": "SA-1457305", "target_label": "SB-203186", "cosine_similarity": 0.2744374573230743 } }, { "source": "CID:11784736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "Y-134-terfenadine similarity", "source_label": "Y-134", "target_label": "terfenadine", "cosine_similarity": 0.5842692255973816 } }, { "source": "CID:44503093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "SA-246522-lamotrigine similarity", "source_label": "SA-246522", "target_label": "lamotrigine", "cosine_similarity": 0.3074003159999847 } }, { "source": "CID:24748204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "MK-5108-mebendazole similarity", "source_label": "MK-5108", "target_label": "mebendazole", "cosine_similarity": 0.4762623012065887 } }, { "source": "CID:5568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "triflupromazine-STA-5326 similarity", "source_label": "triflupromazine", "target_label": "STA-5326", "cosine_similarity": 0.3752820789813995 } }, { "source": "CID:73707439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11012", "properties": { "id": "YL-55-gitoxigenin similarity", "source_label": "YL-55", "target_label": "gitoxigenin", "cosine_similarity": 0.2524337768554687 } }, { "source": "CID:2904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "cyclopenthiazide-UB-165 similarity", "source_label": "cyclopenthiazide", "target_label": "UB-165", "cosine_similarity": 0.2534562051296234 } }, { "source": "CID:11631681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "Ro-3306-neratinib similarity", "source_label": "Ro-3306", "target_label": "neratinib", "cosine_similarity": 0.411655068397522 } }, { "source": "CID:4649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "aminosalicylic-acid-saxagliptin similarity", "source_label": "aminosalicylic-acid", "target_label": "saxagliptin", "cosine_similarity": 0.4000947177410126 } }, { "source": "CID:107935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702199", "properties": { "id": "deguelin-antimycin-a similarity", "source_label": "deguelin", "target_label": "antimycin-a", "cosine_similarity": 0.40687957406044 } }, { "source": "CID:36689751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72894", "properties": { "id": "tetroquinone-2-aminobenzenesulfonamide similarity", "source_label": "tetroquinone", "target_label": "2-aminobenzenesulfonamide", "cosine_similarity": 0.2953421175479889 } }, { "source": "CID:6675804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918638", "properties": { "id": "tubacin-belinostat similarity", "source_label": "tubacin", "target_label": "belinostat", "cosine_similarity": 0.470395416021347 } }, { "source": "CID:1893730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "XL-147-pazopanib similarity", "source_label": "XL-147", "target_label": "pazopanib", "cosine_similarity": 0.2530314028263092 } }, { "source": "CID:6010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702094", "properties": { "id": "testosterone-norethindrone similarity", "source_label": "testosterone", "target_label": "norethindrone", "cosine_similarity": 0.2086773961782455 } }, { "source": "CID:84008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "FIT-STA-5326 similarity", "source_label": "FIT", "target_label": "STA-5326", "cosine_similarity": 0.6253411769866943 } }, { "source": "CID:5225092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "westcort-fluticasone-propionate similarity", "source_label": "westcort", "target_label": "fluticasone-propionate", "cosine_similarity": 0.2585249245166778 } }, { "source": "CID:67243342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259136", "properties": { "id": "TUL-XIX029-VU-0415010 similarity", "source_label": "TUL-XIX029", "target_label": "VU-0415010", "cosine_similarity": 0.3043675124645233 } }, { "source": "CID:1241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "SKF-77434-zebularine similarity", "source_label": "SKF-77434", "target_label": "zebularine", "cosine_similarity": 0.2775725722312927 } }, { "source": "CID:3998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "mafenide-rolipram similarity", "source_label": "mafenide", "target_label": "rolipram", "cosine_similarity": 0.3136255145072937 } }, { "source": "CID:2448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707499", "properties": { "id": "bromperidol-paromomycin similarity", "source_label": "bromperidol", "target_label": "paromomycin", "cosine_similarity": 0.2583896815776825 } }, { "source": "CID:72947407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "MD-049-MD-II-051 similarity", "source_label": "MD-049", "target_label": "MD-II-051", "cosine_similarity": 0.7844106554985046 } }, { "source": "CID:176870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "erlotinib-vemurafenib similarity", "source_label": "erlotinib", "target_label": "vemurafenib", "cosine_similarity": 0.6038702726364136 } }, { "source": "CID:2353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "berberine-tasquinimod similarity", "source_label": "berberine", "target_label": "tasquinimod", "cosine_similarity": 0.4751890003681183 } }, { "source": "CID:11497983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5498067", "properties": { "id": "barasertib-esculin similarity", "source_label": "barasertib", "target_label": "esculin", "cosine_similarity": 0.2642184793949127 } }, { "source": "CID:11296282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "DG-041-KO-143 similarity", "source_label": "DG-041", "target_label": "KO-143", "cosine_similarity": 0.4914408028125763 } }, { "source": "CID:71015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6437068", "properties": { "id": "n-methylphenothiazine-enevalproate similarity", "source_label": "n-methylphenothiazine", "target_label": "enevalproate", "cosine_similarity": 0.2391202896833419 } }, { "source": "CID:3055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "diphenidol-ketorolac similarity", "source_label": "diphenidol", "target_label": "ketorolac", "cosine_similarity": 0.4801261126995086 } }, { "source": "CID:44623839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "KU-C104233-PLX-4720 similarity", "source_label": "KU-C104233", "target_label": "PLX-4720", "cosine_similarity": 0.2127862423658371 } }, { "source": "CID:265237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "withaferin-a-BCI-hydrochloride similarity", "source_label": "withaferin-a", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.706365704536438 } }, { "source": "CID:31508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "proquazone-T-0156 similarity", "source_label": "proquazone", "target_label": "T-0156", "cosine_similarity": 0.286717027425766 } }, { "source": "CID:73707528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11219835", "properties": { "id": "etodolac-ataluren similarity", "source_label": "etodolac", "target_label": "ataluren", "cosine_similarity": 0.3313979506492615 } }, { "source": "CID:32170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "articaine-PT-630 similarity", "source_label": "articaine", "target_label": "PT-630", "cosine_similarity": 0.3430832922458648 } }, { "source": "CID:28693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "metergoline-vandetanib similarity", "source_label": "metergoline", "target_label": "vandetanib", "cosine_similarity": 0.4559511244297027 } }, { "source": "CID:5702153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "cinchonine-ketorolac similarity", "source_label": "cinchonine", "target_label": "ketorolac", "cosine_similarity": 0.1972502022981643 } }, { "source": "CID:38853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5491955", "properties": { "id": "methyldopa-cefozopran similarity", "source_label": "methyldopa", "target_label": "cefozopran", "cosine_similarity": 0.3275759816169739 } }, { "source": "CID:5472495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "exisulind-verrucarin-a similarity", "source_label": "exisulind", "target_label": "verrucarin-a", "cosine_similarity": 0.2898645997047424 } }, { "source": "CID:55245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "mifepristone-ABT-737 similarity", "source_label": "mifepristone", "target_label": "ABT-737", "cosine_similarity": 0.2982446849346161 } }, { "source": "CID:456199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "PA-824-levonorgestrel similarity", "source_label": "PA-824", "target_label": "levonorgestrel", "cosine_similarity": 0.2357531189918518 } }, { "source": "CID:5281607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081027", "properties": { "id": "chrysin-OCO-1112 similarity", "source_label": "chrysin", "target_label": "OCO-1112", "cosine_similarity": 0.3790541887283325 } }, { "source": "CID:70680396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "MW-SHH-28-SA-90471 similarity", "source_label": "MW-SHH-28", "target_label": "SA-90471", "cosine_similarity": 0.2846862077713012 } }, { "source": "CID:17534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135470813", "properties": { "id": "6-aminochrysene-MW-STK33-2C similarity", "source_label": "6-aminochrysene", "target_label": "MW-STK33-2C", "cosine_similarity": 0.2726060748100281 } }, { "source": "CID:775191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "DAC-012-DAC-009 similarity", "source_label": "DAC-012", "target_label": "DAC-009", "cosine_similarity": 0.6887219548225403 } }, { "source": "CID:216454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "L-778123-Ro-4987655 similarity", "source_label": "L-778123", "target_label": "Ro-4987655", "cosine_similarity": 0.3533267974853515 } }, { "source": "CID:54658765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490269", "properties": { "id": "SA-1459849-SA-102787 similarity", "source_label": "SA-1459849", "target_label": "SA-102787", "cosine_similarity": 0.3391329944133758 } }, { "source": "CID:44241483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "VU-0403126-naltrexone similarity", "source_label": "VU-0403126", "target_label": "naltrexone", "cosine_similarity": 0.2784607708454132 } }, { "source": "CID:3182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "dyphylline-PT-630 similarity", "source_label": "dyphylline", "target_label": "PT-630", "cosine_similarity": 0.2510335445404053 } }, { "source": "CID:54656566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SA-1473405-phenothiazine similarity", "source_label": "SA-1473405", "target_label": "phenothiazine", "cosine_similarity": 0.3343818783760071 } }, { "source": "CID:1548076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "STK-721917-SA-424170 similarity", "source_label": "STK-721917", "target_label": "SA-424170", "cosine_similarity": 0.2584240436553955 } }, { "source": "CID:4814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282136", "properties": { "id": "picotamide-lafutidine similarity", "source_label": "picotamide", "target_label": "lafutidine", "cosine_similarity": 0.4787282049655914 } }, { "source": "CID:15478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "digoxigenin-ouabain similarity", "source_label": "digoxigenin", "target_label": "ouabain", "cosine_similarity": 0.7125154137611389 } }, { "source": "CID:44640177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "KU-C104491-lasalocid similarity", "source_label": "KU-C104491", "target_label": "lasalocid", "cosine_similarity": 0.4586516320705414 } }, { "source": "CID:65373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "secoisolariciresinol-phenoxazine similarity", "source_label": "secoisolariciresinol", "target_label": "phenoxazine", "cosine_similarity": 0.3288508355617523 } }, { "source": "CID:439504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3287", "properties": { "id": "tylosin-ethionamide similarity", "source_label": "tylosin", "target_label": "ethionamide", "cosine_similarity": 0.2086768001317978 } }, { "source": "CID:374536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "RITA-genz-644282 similarity", "source_label": "RITA", "target_label": "genz-644282", "cosine_similarity": 0.4062385857105255 } }, { "source": "CID:57242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1534", "properties": { "id": "LY-16350-aminomethyltransferase similarity", "source_label": "LY-16350", "target_label": "aminomethyltransferase", "cosine_similarity": 0.2362043708562851 } }, { "source": "CID:9847023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "prednisolone-hemisuccinate-fluocinolone-acetonide similarity", "source_label": "prednisolone-hemisuccinate", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.3652507364749908 } }, { "source": "CID:10186367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "CT-7758-CGS-21680 similarity", "source_label": "CT-7758", "target_label": "CGS-21680", "cosine_similarity": 0.3896033465862274 } }, { "source": "CID:3000022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "MW-STK33-23-triptolide similarity", "source_label": "MW-STK33-23", "target_label": "triptolide", "cosine_similarity": 0.5407235622406006 } }, { "source": "CID:11219835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707528", "properties": { "id": "ataluren-etodolac similarity", "source_label": "ataluren", "target_label": "etodolac", "cosine_similarity": 0.3313979506492615 } }, { "source": "CID:44507272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506630", "properties": { "id": "K1448-SA-247384 similarity", "source_label": "K1448", "target_label": "SA-247384", "cosine_similarity": 0.2210989743471145 } }, { "source": "CID:72193870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5132514", "properties": { "id": "QW-BI-011-L-690488 similarity", "source_label": "QW-BI-011", "target_label": "L-690488", "cosine_similarity": 0.3231400847434997 } }, { "source": "CID:91469546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10410310", "properties": { "id": "oxytetracycline-tetracycline similarity", "source_label": "oxytetracycline", "target_label": "tetracycline", "cosine_similarity": 0.4570037424564361 } }, { "source": "CID:135925692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "propylpyrazole-TUL-XX025TFA similarity", "source_label": "propylpyrazole", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2371675670146942 } }, { "source": "CID:71771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3532", "properties": { "id": "aceclofenac-guvacine similarity", "source_label": "aceclofenac", "target_label": "guvacine", "cosine_similarity": 0.3500557243824005 } }, { "source": "CID:3106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2878746", "properties": { "id": "dipropyl-dopamine-STK-064652 similarity", "source_label": "dipropyl-dopamine", "target_label": "STK-064652", "cosine_similarity": 0.3011206388473511 } }, { "source": "CID:25161177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "MLN-2480-emedastine similarity", "source_label": "MLN-2480", "target_label": "emedastine", "cosine_similarity": 0.4404653906822204 } }, { "source": "CID:3005573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "toremifene-fluspirilene similarity", "source_label": "toremifene", "target_label": "fluspirilene", "cosine_similarity": 0.4010132551193237 } }, { "source": "CID:135886613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135883127", "properties": { "id": "BG-1031-BG-1017 similarity", "source_label": "BG-1031", "target_label": "BG-1017", "cosine_similarity": 0.440078854560852 } }, { "source": "CID:208901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "tesaglitazar-aminoglutethimide similarity", "source_label": "tesaglitazar", "target_label": "aminoglutethimide", "cosine_similarity": 0.3530662059783935 } }, { "source": "CID:4104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156391", "properties": { "id": "methimazole-naproxen similarity", "source_label": "methimazole", "target_label": "naproxen", "cosine_similarity": 0.3839201331138611 } }, { "source": "CID:6440033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "temsirolimus-NVP-BEZ235 similarity", "source_label": "temsirolimus", "target_label": "NVP-BEZ235", "cosine_similarity": 0.785596489906311 } }, { "source": "CID:125085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "p-aminophenethylspiperone-rhodomyrtoxin-b similarity", "source_label": "p-aminophenethylspiperone", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.5171177387237549 } }, { "source": "CID:2366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "betahistine-tolcapone similarity", "source_label": "betahistine", "target_label": "tolcapone", "cosine_similarity": 0.298196405172348 } }, { "source": "CID:6505803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288674", "properties": { "id": "tanespimycin-alvespimycin similarity", "source_label": "tanespimycin", "target_label": "alvespimycin", "cosine_similarity": 0.883772075176239 } }, { "source": "CID:6914657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "FK-866-NU-1025 similarity", "source_label": "FK-866", "target_label": "NU-1025", "cosine_similarity": 0.4626816213130951 } }, { "source": "CID:447905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "GW-3965-mepivacaine similarity", "source_label": "GW-3965", "target_label": "mepivacaine", "cosine_similarity": 0.3664583563804626 } }, { "source": "CID:119192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:681615", "properties": { "id": "SR-48692-KDM-096 similarity", "source_label": "SR-48692", "target_label": "KDM-096", "cosine_similarity": 0.216118112206459 } }, { "source": "CID:73707546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2756", "properties": { "id": "garcinol-cimetidine similarity", "source_label": "garcinol", "target_label": "cimetidine", "cosine_similarity": 0.387560099363327 } }, { "source": "CID:2820118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "KM-03439-N-methylquipazine similarity", "source_label": "KM-03439", "target_label": "N-methylquipazine", "cosine_similarity": 0.2402077764272689 } }, { "source": "CID:65906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3744", "properties": { "id": "mizolastine-VP-20629 similarity", "source_label": "mizolastine", "target_label": "VP-20629", "cosine_similarity": 0.3023293018341064 } }, { "source": "CID:3475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "gliclazide-amikacin similarity", "source_label": "gliclazide", "target_label": "amikacin", "cosine_similarity": 0.8124495148658752 } }, { "source": "CID:60160561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "EPZ-005687-atorvastatin similarity", "source_label": "EPZ-005687", "target_label": "atorvastatin", "cosine_similarity": 0.2028419524431228 } }, { "source": "CID:49855250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918638", "properties": { "id": "SB-939-belinostat similarity", "source_label": "SB-939", "target_label": "belinostat", "cosine_similarity": 0.7983955144882202 } }, { "source": "CID:11949646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "empagliflozin-lomerizine similarity", "source_label": "empagliflozin", "target_label": "lomerizine", "cosine_similarity": 0.322153240442276 } }, { "source": "CID:107970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "fingolimod-loperamide similarity", "source_label": "fingolimod", "target_label": "loperamide", "cosine_similarity": 0.3105931878089905 } }, { "source": "CID:5253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "sotalol-metixene similarity", "source_label": "sotalol", "target_label": "metixene", "cosine_similarity": 0.3280853033065796 } }, { "source": "CID:49843020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "CAM-9-021-fumonisin-b1 similarity", "source_label": "CAM-9-021", "target_label": "fumonisin-b1", "cosine_similarity": 0.3486106395721435 } }, { "source": "CID:17756791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "Ro-08-2750-PLX-4720 similarity", "source_label": "Ro-08-2750", "target_label": "PLX-4720", "cosine_similarity": 0.2350838482379913 } }, { "source": "CID:2736690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "IBC-293-SD-6-035-A8 similarity", "source_label": "IBC-293", "target_label": "SD-6-035-A8", "cosine_similarity": 0.2865673303604126 } }, { "source": "CID:5391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "temazepam-L-citrulline similarity", "source_label": "temazepam", "target_label": "L-citrulline", "cosine_similarity": 0.2092132419347763 } }, { "source": "CID:4497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "nimodipine-fumonisin-b1 similarity", "source_label": "nimodipine", "target_label": "fumonisin-b1", "cosine_similarity": 0.4113213419914245 } }, { "source": "CID:6610267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "EI-231-AG-14361 similarity", "source_label": "EI-231", "target_label": "AG-14361", "cosine_similarity": 0.3766088485717773 } }, { "source": "CID:4396344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5918561", "properties": { "id": "5'-guanidinonaltrindole-ST-024029 similarity", "source_label": "5'-guanidinonaltrindole", "target_label": "ST-024029", "cosine_similarity": 0.2563053369522095 } }, { "source": "CID:124846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "HTMT-myriocin similarity", "source_label": "HTMT", "target_label": "myriocin", "cosine_similarity": 0.2847238779067993 } }, { "source": "CID:16220051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "tunicamycin-COL-3 similarity", "source_label": "tunicamycin", "target_label": "COL-3", "cosine_similarity": 0.5483188033103943 } }, { "source": "CID:610479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72093", "properties": { "id": "tolfenamic-acid-otilonium similarity", "source_label": "tolfenamic-acid", "target_label": "otilonium", "cosine_similarity": 0.3695725798606872 } }, { "source": "CID:53465279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "lesinurad-camostat-mesilate similarity", "source_label": "lesinurad", "target_label": "camostat-mesilate", "cosine_similarity": 0.3449907600879669 } }, { "source": "CID:11373846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636535", "properties": { "id": "GSK-429286A-A-66 similarity", "source_label": "GSK-429286A", "target_label": "A-66", "cosine_similarity": 0.4065702855587005 } }, { "source": "CID:9827968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "GSK-256066-conivaptan similarity", "source_label": "GSK-256066", "target_label": "conivaptan", "cosine_similarity": 0.3487980663776397 } }, { "source": "CID:6604780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11570626", "properties": { "id": "ZD-7114-MK-0893 similarity", "source_label": "ZD-7114", "target_label": "MK-0893", "cosine_similarity": 0.3020602464675903 } }, { "source": "CID:11387409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "oglemilast-lacosamide similarity", "source_label": "oglemilast", "target_label": "lacosamide", "cosine_similarity": 0.2953917980194092 } }, { "source": "CID:4950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "propylthiouracil-actarit similarity", "source_label": "propylthiouracil", "target_label": "actarit", "cosine_similarity": 0.4500527381896972 } }, { "source": "CID:5225092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "westcort-clobetasol similarity", "source_label": "westcort", "target_label": "clobetasol", "cosine_similarity": 0.2254187911748886 } }, { "source": "CID:5284627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "topiramate-disopyramide similarity", "source_label": "topiramate", "target_label": "disopyramide", "cosine_similarity": 0.5551354885101318 } }, { "source": "CID:3489614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "CGP-54626-PD-128907 similarity", "source_label": "CGP-54626", "target_label": "PD-128907", "cosine_similarity": 0.3189581930637359 } }, { "source": "CID:6857685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "PIK-90-taselisib similarity", "source_label": "PIK-90", "target_label": "taselisib", "cosine_similarity": 0.6708959341049194 } }, { "source": "CID:73707614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446313", "properties": { "id": "KW-06-SR-12813 similarity", "source_label": "KW-06", "target_label": "SR-12813", "cosine_similarity": 0.2844503819942474 } }, { "source": "CID:1714884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "AC-55649-NU-1025 similarity", "source_label": "AC-55649", "target_label": "NU-1025", "cosine_similarity": 0.4732314348220825 } }, { "source": "CID:44487597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-440832-SA-1459849 similarity", "source_label": "SA-440832", "target_label": "SA-1459849", "cosine_similarity": 0.3581982254981994 } }, { "source": "CID:9912743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "SB-683698-grazoprevir similarity", "source_label": "SB-683698", "target_label": "grazoprevir", "cosine_similarity": 0.5779720544815063 } }, { "source": "CID:5280954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3005573", "properties": { "id": "rescinnamine-toremifene similarity", "source_label": "rescinnamine", "target_label": "toremifene", "cosine_similarity": 0.2591632008552551 } }, { "source": "CID:3473417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "VU-0447126-2-TUL-XX025TFA similarity", "source_label": "VU-0447126-2", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2832905352115631 } }, { "source": "CID:51371328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54892", "properties": { "id": "estramustine-quinapril similarity", "source_label": "estramustine", "target_label": "quinapril", "cosine_similarity": 0.3614386916160583 } }, { "source": "CID:5282272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "anandamide-ketorolac similarity", "source_label": "anandamide", "target_label": "ketorolac", "cosine_similarity": 0.4750831723213196 } }, { "source": "CID:4543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "nortriptyline-STA-5326 similarity", "source_label": "nortriptyline", "target_label": "STA-5326", "cosine_similarity": 0.45212122797966 } }, { "source": "CID:19009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "palmatine-chloride-phenacemide similarity", "source_label": "palmatine-chloride", "target_label": "phenacemide", "cosine_similarity": 0.4927068054676056 } }, { "source": "CID:44489338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1042895", "properties": { "id": "SA-424828-felamidin similarity", "source_label": "SA-424828", "target_label": "felamidin", "cosine_similarity": 0.2511562705039978 } }, { "source": "CID:10077130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "voapaxar-atorvastatin similarity", "source_label": "voapaxar", "target_label": "atorvastatin", "cosine_similarity": 0.3262475132942199 } }, { "source": "CID:70680404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "AT1-SHH-09-pinacidil similarity", "source_label": "AT1-SHH-09", "target_label": "pinacidil", "cosine_similarity": 0.3378758430480957 } }, { "source": "CID:16490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "flumetasone-halcinonide similarity", "source_label": "flumetasone", "target_label": "halcinonide", "cosine_similarity": 0.5079067349433899 } }, { "source": "CID:24069689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "mocimycin-PSH-024 similarity", "source_label": "mocimycin", "target_label": "PSH-024", "cosine_similarity": 0.2414295524358749 } }, { "source": "CID:9903786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "TPCA-1-dabrafenib similarity", "source_label": "TPCA-1", "target_label": "dabrafenib", "cosine_similarity": 0.6463508605957031 } }, { "source": "CID:132519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "ilomastat-CGS-20625 similarity", "source_label": "ilomastat", "target_label": "CGS-20625", "cosine_similarity": 0.3764566481113434 } }, { "source": "CID:11647372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "ZSTK-474-OSI-027 similarity", "source_label": "ZSTK-474", "target_label": "OSI-027", "cosine_similarity": 0.7496914267539978 } }, { "source": "CID:2878746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "STK-064652-dictamnine similarity", "source_label": "STK-064652", "target_label": "dictamnine", "cosine_similarity": 0.3740045130252838 } }, { "source": "CID:9911463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "GW-405833-CHEMBL-374350 similarity", "source_label": "GW-405833", "target_label": "CHEMBL-374350", "cosine_similarity": 0.5291436314582825 } }, { "source": "CID:8515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "pyrazolanthrone-GNF-2 similarity", "source_label": "pyrazolanthrone", "target_label": "GNF-2", "cosine_similarity": 0.3268383741378784 } }, { "source": "CID:5281643", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3519541", "properties": { "id": "hyperoside-CGP-13501 similarity", "source_label": "hyperoside", "target_label": "CGP-13501", "cosine_similarity": 0.1673596501350402 } }, { "source": "CID:2951172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "EMF-sumo1-6-gossypin similarity", "source_label": "EMF-sumo1-6", "target_label": "gossypin", "cosine_similarity": 0.3855169117450714 } }, { "source": "CID:4029677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "CP-94253-MDL-28170 similarity", "source_label": "CP-94253", "target_label": "MDL-28170", "cosine_similarity": 0.3363488018512726 } }, { "source": "CID:10223146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353454", "properties": { "id": "JTE-013-BW-B70C similarity", "source_label": "JTE-013", "target_label": "BW-B70C", "cosine_similarity": 0.2090173065662384 } }, { "source": "CID:338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "salicylic-acid-nicotinamide similarity", "source_label": "salicylic-acid", "target_label": "nicotinamide", "cosine_similarity": 0.2322637140750885 } }, { "source": "CID:2868392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "NECA-PSB-069 similarity", "source_label": "NECA", "target_label": "PSB-069", "cosine_similarity": 0.3225938677787781 } }, { "source": "CID:3002120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "sulbutiamine-bicalutamide similarity", "source_label": "sulbutiamine", "target_label": "bicalutamide", "cosine_similarity": 0.4524639844894409 } }, { "source": "CID:5034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3652", "properties": { "id": "GW-5074-hydroxychloroquine similarity", "source_label": "GW-5074", "target_label": "hydroxychloroquine", "cosine_similarity": 0.495565116405487 } }, { "source": "CID:3085416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "ivermectin-dabrafenib similarity", "source_label": "ivermectin", "target_label": "dabrafenib", "cosine_similarity": 0.6062557101249695 } }, { "source": "CID:3038495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "BP-897-dipyrocetyl similarity", "source_label": "BP-897", "target_label": "dipyrocetyl", "cosine_similarity": 0.2552894353866577 } }, { "source": "CID:41693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "sufentanil-camostat-mesilate similarity", "source_label": "sufentanil", "target_label": "camostat-mesilate", "cosine_similarity": 0.3328112363815307 } }, { "source": "CID:73707475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:686211", "properties": { "id": "bacampicilline-KU-C104126N similarity", "source_label": "bacampicilline", "target_label": "KU-C104126N", "cosine_similarity": 0.2055330723524093 } }, { "source": "CID:448799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "epothilone-a-paclitaxel similarity", "source_label": "epothilone-a", "target_label": "paclitaxel", "cosine_similarity": 0.6446609497070312 } }, { "source": "CID:3752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "irsogladine-ABT-202 similarity", "source_label": "irsogladine", "target_label": "ABT-202", "cosine_similarity": 0.3209514021873474 } }, { "source": "CID:447966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9967941", "properties": { "id": "LY-364947-SB-525334 similarity", "source_label": "LY-364947", "target_label": "SB-525334", "cosine_similarity": 0.4140298068523407 } }, { "source": "CID:54445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "castanospermine-ketorolac similarity", "source_label": "castanospermine", "target_label": "ketorolac", "cosine_similarity": 0.422396183013916 } }, { "source": "CID:115355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "nitisinone-granisetron similarity", "source_label": "nitisinone", "target_label": "granisetron", "cosine_similarity": 0.3253421485424042 } }, { "source": "CID:44241483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433109", "properties": { "id": "VU-0403126-XBD-173 similarity", "source_label": "VU-0403126", "target_label": "XBD-173", "cosine_similarity": 0.2693589329719543 } }, { "source": "CID:9902311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "TGX-115-PIK-90 similarity", "source_label": "TGX-115", "target_label": "PIK-90", "cosine_similarity": 0.5557213425636292 } }, { "source": "CID:197690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "SB-205384-CAM-9-021 similarity", "source_label": "SB-205384", "target_label": "CAM-9-021", "cosine_similarity": 0.2192451655864715 } }, { "source": "CID:11210285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42623900", "properties": { "id": "BML-284-QS-11 similarity", "source_label": "BML-284", "target_label": "QS-11", "cosine_similarity": 0.5698810815811157 } }, { "source": "CID:10029385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "LY-2090314-CHIR-99021 similarity", "source_label": "LY-2090314", "target_label": "CHIR-99021", "cosine_similarity": 0.6217017769813538 } }, { "source": "CID:4534086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105713", "properties": { "id": "KB-R7943-VU-0155069 similarity", "source_label": "KB-R7943", "target_label": "VU-0155069", "cosine_similarity": 0.5811856985092163 } }, { "source": "CID:447905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "GW-3965-inositol similarity", "source_label": "GW-3965", "target_label": "inositol", "cosine_similarity": 0.3802010715007782 } }, { "source": "CID:3276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "etanidazole-orciprenaline similarity", "source_label": "etanidazole", "target_label": "orciprenaline", "cosine_similarity": 0.3597261905670166 } }, { "source": "CID:4306515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11214940", "properties": { "id": "SC-560-erastin similarity", "source_label": "SC-560", "target_label": "erastin", "cosine_similarity": 0.2647088766098022 } }, { "source": "CID:2471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "bumetanide-dienestrol similarity", "source_label": "bumetanide", "target_label": "dienestrol", "cosine_similarity": 0.435308039188385 } }, { "source": "CID:54666592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-1920683-SA-1458610 similarity", "source_label": "SA-1920683", "target_label": "SA-1458610", "cosine_similarity": 0.2579708099365234 } }, { "source": "CID:65637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1201549", "properties": { "id": "zatebradine-benzatropine similarity", "source_label": "zatebradine", "target_label": "benzatropine", "cosine_similarity": 0.2748909592628479 } }, { "source": "CID:76525291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "RG7112-rhodomyrtoxin-b similarity", "source_label": "RG7112", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.4324401617050171 } }, { "source": "CID:3001055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "ranitidine-repaglinide similarity", "source_label": "ranitidine", "target_label": "repaglinide", "cosine_similarity": 0.3740458488464355 } }, { "source": "CID:462382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "MG-132-NSC-632839 similarity", "source_label": "MG-132", "target_label": "NSC-632839", "cosine_similarity": 0.6313460469245911 } }, { "source": "CID:44507332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609955", "properties": { "id": "SA-247714-resminostat similarity", "source_label": "SA-247714", "target_label": "resminostat", "cosine_similarity": 0.5090404748916626 } }, { "source": "CID:9827968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148184", "properties": { "id": "GSK-256066-ampalex similarity", "source_label": "GSK-256066", "target_label": "ampalex", "cosine_similarity": 0.3643125593662262 } }, { "source": "CID:3760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "isoconazole-GDC-0199 similarity", "source_label": "isoconazole", "target_label": "GDC-0199", "cosine_similarity": 0.3314292430877685 } }, { "source": "CID:5394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "temozolomide-idelalisib similarity", "source_label": "temozolomide", "target_label": "idelalisib", "cosine_similarity": 0.4468967318534851 } }, { "source": "CID:73707595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707604", "properties": { "id": "avicin-d-avicin-g similarity", "source_label": "avicin-d", "target_label": "avicin-g", "cosine_similarity": 0.6166576147079468 } }, { "source": "CID:4309557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "tetramethyl-haematoxylone-AC-55649 similarity", "source_label": "tetramethyl-haematoxylone", "target_label": "AC-55649", "cosine_similarity": 0.2959164679050445 } }, { "source": "CID:3423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "FPL-64176-iproniazid similarity", "source_label": "FPL-64176", "target_label": "iproniazid", "cosine_similarity": 0.328548789024353 } }, { "source": "CID:3926765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "amsacrine-gemcitabine similarity", "source_label": "amsacrine", "target_label": "gemcitabine", "cosine_similarity": 0.7439876198768616 } }, { "source": "CID:6604893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "DFB-perzinfotel similarity", "source_label": "DFB", "target_label": "perzinfotel", "cosine_similarity": 0.2756465971469879 } }, { "source": "CID:23786513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "NK26-I-41-1-milrinone similarity", "source_label": "NK26-I-41-1", "target_label": "milrinone", "cosine_similarity": 0.2456697970628738 } }, { "source": "CID:13013971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "depomedrol-dexamethasone similarity", "source_label": "depomedrol", "target_label": "dexamethasone", "cosine_similarity": 0.3179172873497009 } }, { "source": "CID:133538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10020353", "properties": { "id": "SKF-83959-SKF-83822 similarity", "source_label": "SKF-83959", "target_label": "SKF-83822", "cosine_similarity": 0.1801924407482147 } }, { "source": "CID:45489447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "VU-0415555-1-vemurafenib similarity", "source_label": "VU-0415555-1", "target_label": "vemurafenib", "cosine_similarity": 0.2751271724700928 } }, { "source": "CID:3082718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "ICI-199441-BIBU-1361 similarity", "source_label": "ICI-199441", "target_label": "BIBU-1361", "cosine_similarity": 0.4420123100280761 } }, { "source": "CID:3055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "diphenidol-felodipine similarity", "source_label": "diphenidol", "target_label": "felodipine", "cosine_similarity": 0.5180966258049011 } }, { "source": "CID:334704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "marmesin-diethylcarbamazine similarity", "source_label": "marmesin", "target_label": "diethylcarbamazine", "cosine_similarity": 0.2970615029335022 } }, { "source": "CID:46244454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "AZ-20-GSK-1059615 similarity", "source_label": "AZ-20", "target_label": "GSK-1059615", "cosine_similarity": 0.6303811073303223 } }, { "source": "CID:5509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "tolmetin-TAK-715 similarity", "source_label": "tolmetin", "target_label": "TAK-715", "cosine_similarity": 0.2255779951810836 } }, { "source": "CID:4788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "phloretin-pazopanib similarity", "source_label": "phloretin", "target_label": "pazopanib", "cosine_similarity": 0.4103352427482605 } }, { "source": "CID:227112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "reichstein-saracatinib similarity", "source_label": "reichstein", "target_label": "saracatinib", "cosine_similarity": 0.221511572599411 } }, { "source": "CID:3387354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "SB-218078-AZD-5438 similarity", "source_label": "SB-218078", "target_label": "AZD-5438", "cosine_similarity": 0.5689404606819153 } }, { "source": "CID:5094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4930", "properties": { "id": "ronidazole-pronetalol similarity", "source_label": "ronidazole", "target_label": "pronetalol", "cosine_similarity": 0.1995462030172348 } }, { "source": "CID:4938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "propentofylline-tiapride similarity", "source_label": "propentofylline", "target_label": "tiapride", "cosine_similarity": 0.4228194653987884 } }, { "source": "CID:44489854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "SA-423131-RU-24969 similarity", "source_label": "SA-423131", "target_label": "RU-24969", "cosine_similarity": 0.3892801105976105 } }, { "source": "CID:24946690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:110634", "properties": { "id": "bitopertin-vardenafil similarity", "source_label": "bitopertin", "target_label": "vardenafil", "cosine_similarity": 0.405596524477005 } }, { "source": "CID:1054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8480", "properties": { "id": "pyridoxine-carbarsone similarity", "source_label": "pyridoxine", "target_label": "carbarsone", "cosine_similarity": 0.2518594861030578 } }, { "source": "CID:5282136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4814", "properties": { "id": "lafutidine-picotamide similarity", "source_label": "lafutidine", "target_label": "picotamide", "cosine_similarity": 0.4787282049655914 } }, { "source": "CID:5360807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "lasalocid-L-ergothioneine similarity", "source_label": "lasalocid", "target_label": "L-ergothioneine", "cosine_similarity": 0.7959107756614685 } }, { "source": "CID:24857286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213039", "properties": { "id": "TAK-875-darunavir similarity", "source_label": "TAK-875", "target_label": "darunavir", "cosine_similarity": 0.2938819825649261 } }, { "source": "CID:4516886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "GW-1929-ML-161 similarity", "source_label": "GW-1929", "target_label": "ML-161", "cosine_similarity": 0.3652965128421783 } }, { "source": "CID:5219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "linsidomine-diazoxide similarity", "source_label": "linsidomine", "target_label": "diazoxide", "cosine_similarity": 0.6707943081855774 } }, { "source": "CID:4011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "maprotiline-thioridazine similarity", "source_label": "maprotiline", "target_label": "thioridazine", "cosine_similarity": 0.4218038320541382 } }, { "source": "CID:16654980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "buparlisib-NVP-BEZ235 similarity", "source_label": "buparlisib", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7447781562805176 } }, { "source": "CID:44618017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-427137-SA-244358 similarity", "source_label": "SA-427137", "target_label": "SA-244358", "cosine_similarity": 0.2277480065822601 } }, { "source": "CID:9869929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "avanafil-flavoxate similarity", "source_label": "avanafil", "target_label": "flavoxate", "cosine_similarity": 0.3524835407733917 } }, { "source": "CID:9950038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "SB-205607-fostamatinib similarity", "source_label": "SB-205607", "target_label": "fostamatinib", "cosine_similarity": 0.1879995018243789 } }, { "source": "CID:2837663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "foliosidine-phenothiazine similarity", "source_label": "foliosidine", "target_label": "phenothiazine", "cosine_similarity": 0.2925511002540588 } }, { "source": "CID:3397945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "hydrastinine-sparfosic-acid similarity", "source_label": "hydrastinine", "target_label": "sparfosic-acid", "cosine_similarity": 0.3001407086849212 } }, { "source": "CID:11556711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "carfilzomib-MLN-9708 similarity", "source_label": "carfilzomib", "target_label": "MLN-9708", "cosine_similarity": 0.5368666648864746 } }, { "source": "CID:53359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "tolrestat-chlorpropamide similarity", "source_label": "tolrestat", "target_label": "chlorpropamide", "cosine_similarity": 0.2058389335870742 } }, { "source": "CID:73707395", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "rhizocarpic-acid-thiazolopyrimidine similarity", "source_label": "rhizocarpic-acid", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.230960875749588 } }, { "source": "CID:5329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448912", "properties": { "id": "sulfamethoxazole-aloisine similarity", "source_label": "sulfamethoxazole", "target_label": "aloisine", "cosine_similarity": 0.2413529902696609 } }, { "source": "CID:54657705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658535", "properties": { "id": "SA-1459172-SA-1459975 similarity", "source_label": "SA-1459172", "target_label": "SA-1459975", "cosine_similarity": 0.2884093225002289 } }, { "source": "CID:11683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "megestrol-acetate-NTNCB similarity", "source_label": "megestrol-acetate", "target_label": "NTNCB", "cosine_similarity": 0.2281122207641601 } }, { "source": "CID:5717737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "SAL-003-AG-592 similarity", "source_label": "SAL-003", "target_label": "AG-592", "cosine_similarity": 0.4660660326480865 } }, { "source": "CID:44494782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-96816-SA-97378 similarity", "source_label": "SA-96816", "target_label": "SA-97378", "cosine_similarity": 0.4067112505435943 } }, { "source": "CID:24861442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506448", "properties": { "id": "Fluoro-SAHA-BG-1004 similarity", "source_label": "Fluoro-SAHA", "target_label": "BG-1004", "cosine_similarity": 0.6877754926681519 } }, { "source": "CID:5037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "ramifenazone-gabexate similarity", "source_label": "ramifenazone", "target_label": "gabexate", "cosine_similarity": 0.2518950402736664 } }, { "source": "CID:51001932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "taselisib-GSK-1059615 similarity", "source_label": "taselisib", "target_label": "GSK-1059615", "cosine_similarity": 0.7749096751213074 } }, { "source": "CID:54660617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "SA-1457458-SA-441092 similarity", "source_label": "SA-1457458", "target_label": "SA-441092", "cosine_similarity": 0.320487231016159 } }, { "source": "CID:4045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "mefexamide-DC-45-A2 similarity", "source_label": "mefexamide", "target_label": "DC-45-A2", "cosine_similarity": 0.2731896638870239 } }, { "source": "CID:73707548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707534", "properties": { "id": "BG-1002-KDM-103 similarity", "source_label": "BG-1002", "target_label": "KDM-103", "cosine_similarity": 0.2072059959173202 } }, { "source": "CID:46215815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "GSK-2334470-PI-103 similarity", "source_label": "GSK-2334470", "target_label": "PI-103", "cosine_similarity": 0.6858702301979065 } }, { "source": "CID:4632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604763", "properties": { "id": "oxybenzone-ICI-192605 similarity", "source_label": "oxybenzone", "target_label": "ICI-192605", "cosine_similarity": 0.4199284017086029 } }, { "source": "CID:644241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9868037", "properties": { "id": "nilotinib-OSI-930 similarity", "source_label": "nilotinib", "target_label": "OSI-930", "cosine_similarity": 0.3668093681335449 } }, { "source": "CID:400169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "SC-144-VU-0418947-2 similarity", "source_label": "SC-144", "target_label": "VU-0418947-2", "cosine_similarity": 0.727990448474884 } }, { "source": "CID:4099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "metharbital-emedastine similarity", "source_label": "metharbital", "target_label": "emedastine", "cosine_similarity": 0.2696511149406433 } }, { "source": "CID:5281040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "montelukast-herniarin similarity", "source_label": "montelukast", "target_label": "herniarin", "cosine_similarity": 0.3170471489429474 } }, { "source": "CID:133008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548953", "properties": { "id": "L-741742-clomifene similarity", "source_label": "L-741742", "target_label": "clomifene", "cosine_similarity": 0.2762620747089386 } }, { "source": "CID:5310966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "varenicline-topiramate similarity", "source_label": "varenicline", "target_label": "topiramate", "cosine_similarity": 0.4286380112171173 } }, { "source": "CID:104845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "alfaxalone-GW-9508 similarity", "source_label": "alfaxalone", "target_label": "GW-9508", "cosine_similarity": 0.2965572476387024 } }, { "source": "CID:492405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:483407", "properties": { "id": "favipiravir-maraviroc similarity", "source_label": "favipiravir", "target_label": "maraviroc", "cosine_similarity": 0.370927482843399 } }, { "source": "CID:2853908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20345", "properties": { "id": "SA-3676-kinetin-riboside similarity", "source_label": "SA-3676", "target_label": "kinetin-riboside", "cosine_similarity": 0.4724524915218353 } }, { "source": "CID:9795278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "PNU-282987-mestranol similarity", "source_label": "PNU-282987", "target_label": "mestranol", "cosine_similarity": 0.2582167685031891 } }, { "source": "CID:47641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "naftifine-lacosamide similarity", "source_label": "naftifine", "target_label": "lacosamide", "cosine_similarity": 0.3891809582710266 } }, { "source": "CID:46851313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44491516", "properties": { "id": "ABT-639-SA-432137 similarity", "source_label": "ABT-639", "target_label": "SA-432137", "cosine_similarity": 0.1547914892435073 } }, { "source": "CID:2040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34040", "properties": { "id": "afloqualone-nicergoline similarity", "source_label": "afloqualone", "target_label": "nicergoline", "cosine_similarity": 0.3665094971656799 } }, { "source": "CID:6049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "ethylenediaminetetraacetic-acid-meglitinide similarity", "source_label": "ethylenediaminetetraacetic-acid", "target_label": "meglitinide", "cosine_similarity": 0.3357280492782593 } }, { "source": "CID:54658669", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666571", "properties": { "id": "SA-1456227-SA-1921867 similarity", "source_label": "SA-1456227", "target_label": "SA-1921867", "cosine_similarity": 0.2560214698314667 } }, { "source": "CID:492405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "favipiravir-taranabant similarity", "source_label": "favipiravir", "target_label": "taranabant", "cosine_similarity": 0.3536904156208038 } }, { "source": "CID:4847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "pirenperone-zebularine similarity", "source_label": "pirenperone", "target_label": "zebularine", "cosine_similarity": 0.2691682875156402 } }, { "source": "CID:753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637566", "properties": { "id": "glycerol-nerol similarity", "source_label": "glycerol", "target_label": "nerol", "cosine_similarity": 0.2916197180747986 } }, { "source": "CID:72199292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "ETP-46464-ZSTK-474 similarity", "source_label": "ETP-46464", "target_label": "ZSTK-474", "cosine_similarity": 0.4707957804203033 } }, { "source": "CID:72385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "nonoxynol-9-AG-879 similarity", "source_label": "nonoxynol-9", "target_label": "AG-879", "cosine_similarity": 0.5994057655334473 } }, { "source": "CID:24812758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "canagliflozin-probucol similarity", "source_label": "canagliflozin", "target_label": "probucol", "cosine_similarity": 0.2818291783332824 } }, { "source": "CID:16122663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "mericitabine-pentoxifylline similarity", "source_label": "mericitabine", "target_label": "pentoxifylline", "cosine_similarity": 0.3306657969951629 } }, { "source": "CID:16046239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "TCB2-DAC-012 similarity", "source_label": "TCB2", "target_label": "DAC-012", "cosine_similarity": 0.2361651360988617 } }, { "source": "CID:73707376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "DC-45-A2-SJ-172550 similarity", "source_label": "DC-45-A2", "target_label": "SJ-172550", "cosine_similarity": 0.4723075628280639 } }, { "source": "CID:2950007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12387471", "properties": { "id": "ML-141-KUC111774N similarity", "source_label": "ML-141", "target_label": "KUC111774N", "cosine_similarity": 0.1956768482923507 } }, { "source": "CID:11485656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24113957", "properties": { "id": "linifanib-H-9 similarity", "source_label": "linifanib", "target_label": "H-9", "cosine_similarity": 0.4272076189517975 } }, { "source": "CID:19667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197835", "properties": { "id": "bephenium-hydrastine similarity", "source_label": "bephenium", "target_label": "hydrastine", "cosine_similarity": 0.1971366852521896 } }, { "source": "CID:71077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "D-serine-danegaptide similarity", "source_label": "D-serine", "target_label": "danegaptide", "cosine_similarity": 0.4810708463191986 } }, { "source": "CID:44484592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-424534-SA-1921816 similarity", "source_label": "SA-424534", "target_label": "SA-1921816", "cosine_similarity": 0.3779064416885376 } }, { "source": "CID:24776445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "vismodegib-meclizine similarity", "source_label": "vismodegib", "target_label": "meclizine", "cosine_similarity": 0.4287659823894501 } }, { "source": "CID:4201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "minoxidil-marbofloxacin similarity", "source_label": "minoxidil", "target_label": "marbofloxacin", "cosine_similarity": 0.3875406980514526 } }, { "source": "CID:1918543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "MW-STK33-2B-TUL_XIX003 similarity", "source_label": "MW-STK33-2B", "target_label": "TUL_XIX003", "cosine_similarity": 0.3047097623348236 } }, { "source": "CID:2019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9799509", "properties": { "id": "actinomycin-d-ER-27319 similarity", "source_label": "actinomycin-d", "target_label": "ER-27319", "cosine_similarity": 0.7573243975639343 } }, { "source": "CID:60189878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "SA-1939936-fananserin similarity", "source_label": "SA-1939936", "target_label": "fananserin", "cosine_similarity": 0.1931748837232589 } }, { "source": "CID:5280954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:193949", "properties": { "id": "rescinnamine-SDZ-21009 similarity", "source_label": "rescinnamine", "target_label": "SDZ-21009", "cosine_similarity": 0.2445518225431442 } }, { "source": "CID:4429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "naltriben-TUL_XIX003 similarity", "source_label": "naltriben", "target_label": "TUL_XIX003", "cosine_similarity": 0.2702866196632385 } }, { "source": "CID:44607530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11511120", "properties": { "id": "WZ-4002-dacomitinib similarity", "source_label": "WZ-4002", "target_label": "dacomitinib", "cosine_similarity": 0.4319330155849457 } }, { "source": "CID:11319053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "telcagepant-repaglinide similarity", "source_label": "telcagepant", "target_label": "repaglinide", "cosine_similarity": 0.3564658463001251 } }, { "source": "CID:2733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "chlorzoxazone-SA-1459213 similarity", "source_label": "chlorzoxazone", "target_label": "SA-1459213", "cosine_similarity": 0.1889528930187225 } }, { "source": "CID:71317162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "GSK-1059615-taselisib similarity", "source_label": "GSK-1059615", "target_label": "taselisib", "cosine_similarity": 0.7749096751213074 } }, { "source": "CID:11978813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "brexpiprazole-miglustat similarity", "source_label": "brexpiprazole", "target_label": "miglustat", "cosine_similarity": 0.4136489927768707 } }, { "source": "CID:439246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4909", "properties": { "id": "naringenin-primidone similarity", "source_label": "naringenin", "target_label": "primidone", "cosine_similarity": 0.3752439022064209 } }, { "source": "CID:494471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360697", "properties": { "id": "methyllycaconitine-dextrorphan similarity", "source_label": "methyllycaconitine", "target_label": "dextrorphan", "cosine_similarity": 0.2573118805885315 } }, { "source": "CID:5225086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836020", "properties": { "id": "ingenol-birinapant similarity", "source_label": "ingenol", "target_label": "birinapant", "cosine_similarity": 0.396811306476593 } }, { "source": "CID:16133851", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2756", "properties": { "id": "triptorelin-cimetidine similarity", "source_label": "triptorelin", "target_label": "cimetidine", "cosine_similarity": 0.2934150993824005 } }, { "source": "CID:31373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "tetrachloroethylene-myriocin similarity", "source_label": "tetrachloroethylene", "target_label": "myriocin", "cosine_similarity": 0.2798621356487274 } }, { "source": "CID:3676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "lidocaine-vinpocetine similarity", "source_label": "lidocaine", "target_label": "vinpocetine", "cosine_similarity": 0.4211089313030243 } }, { "source": "CID:9804992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "givinostat-JNJ-26481585 similarity", "source_label": "givinostat", "target_label": "JNJ-26481585", "cosine_similarity": 0.6443869471549988 } }, { "source": "CID:6708684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56971", "properties": { "id": "scopoline-ipsapirone similarity", "source_label": "scopoline", "target_label": "ipsapirone", "cosine_similarity": 0.2829226851463318 } }, { "source": "CID:4418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "naftopidil-gemifloxacin similarity", "source_label": "naftopidil", "target_label": "gemifloxacin", "cosine_similarity": 0.3660913407802582 } }, { "source": "CID:60860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "iobenguane-tofacitinib similarity", "source_label": "iobenguane", "target_label": "tofacitinib", "cosine_similarity": 0.2967637479305267 } }, { "source": "CID:54666571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "SA-1921867-wortmannin similarity", "source_label": "SA-1921867", "target_label": "wortmannin", "cosine_similarity": 0.2975189685821533 } }, { "source": "CID:5056826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "F-1566-0341-EMF-sumo1-39 similarity", "source_label": "F-1566-0341", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7785833477973938 } }, { "source": "CID:667477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "doxepin-DL-PDMP similarity", "source_label": "doxepin", "target_label": "DL-PDMP", "cosine_similarity": 0.2605833411216736 } }, { "source": "CID:3386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "fluoxetine-sertraline similarity", "source_label": "fluoxetine", "target_label": "sertraline", "cosine_similarity": 0.5584616661071777 } }, { "source": "CID:16222096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "cobimetinib-TAK-733 similarity", "source_label": "cobimetinib", "target_label": "TAK-733", "cosine_similarity": 0.80135178565979 } }, { "source": "CID:62389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "6-benzylaminopurine-phenoxazine similarity", "source_label": "6-benzylaminopurine", "target_label": "phenoxazine", "cosine_similarity": 0.2699775397777557 } }, { "source": "CID:91769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "zolantidine-CAM-9-027-3 similarity", "source_label": "zolantidine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.3198250532150268 } }, { "source": "CID:16094766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "GP-2a-GNF-2 similarity", "source_label": "GP-2a", "target_label": "GNF-2", "cosine_similarity": 0.2357482761144638 } }, { "source": "CID:44369694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "BNTX-EMF-bca1-16 similarity", "source_label": "BNTX", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7582663893699646 } }, { "source": "CID:5175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "SC-10-lenalidomide similarity", "source_label": "SC-10", "target_label": "lenalidomide", "cosine_similarity": 0.2538114786148071 } }, { "source": "CID:73707461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "flucloxacillin-DAC-004 similarity", "source_label": "flucloxacillin", "target_label": "DAC-004", "cosine_similarity": 0.3183432519435882 } }, { "source": "CID:327653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "pifithrin-mu-cerulenin similarity", "source_label": "pifithrin-mu", "target_label": "cerulenin", "cosine_similarity": 0.8819929957389832 } }, { "source": "CID:46843772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "XMD-892-XMD-1150 similarity", "source_label": "XMD-892", "target_label": "XMD-1150", "cosine_similarity": 0.703011155128479 } }, { "source": "CID:236702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "dexamethasone-methylprednisolone similarity", "source_label": "dexamethasone", "target_label": "methylprednisolone", "cosine_similarity": 0.7751457691192627 } }, { "source": "CID:10932412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869940", "properties": { "id": "6-nitrodopamine-VU-0415374-1 similarity", "source_label": "6-nitrodopamine", "target_label": "VU-0415374-1", "cosine_similarity": 0.2663159668445587 } }, { "source": "CID:444254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "acarbose-dapivirine similarity", "source_label": "acarbose", "target_label": "dapivirine", "cosine_similarity": 0.3679926693439483 } }, { "source": "CID:45259136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "VU-0415010-myricetin similarity", "source_label": "VU-0415010", "target_label": "myricetin", "cosine_similarity": 0.3196401000022888 } }, { "source": "CID:129009918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "pregnenolone-NU-1025 similarity", "source_label": "pregnenolone", "target_label": "NU-1025", "cosine_similarity": 0.475128561258316 } }, { "source": "CID:10666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2435", "properties": { "id": "ricinine-brimonidine similarity", "source_label": "ricinine", "target_label": "brimonidine", "cosine_similarity": 0.3289202153682709 } }, { "source": "CID:2717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3332", "properties": { "id": "chlormezanone-felbinac similarity", "source_label": "chlormezanone", "target_label": "felbinac", "cosine_similarity": 0.3369565904140472 } }, { "source": "CID:46926574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22693263", "properties": { "id": "MW-A1-18-RAN-02 similarity", "source_label": "MW-A1-18", "target_label": "RAN-02", "cosine_similarity": 0.2673040330410003 } }, { "source": "CID:4621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "oxetacaine-phenyl-aminosalicylate similarity", "source_label": "oxetacaine", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.2049587815999984 } }, { "source": "CID:44593870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "KU-C103885-KU-C104137 similarity", "source_label": "KU-C103885", "target_label": "KU-C104137", "cosine_similarity": 0.4193516373634338 } }, { "source": "CID:6714003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602378", "properties": { "id": "cyproterone-KU-C104129 similarity", "source_label": "cyproterone", "target_label": "KU-C104129", "cosine_similarity": 0.2295497357845306 } }, { "source": "CID:2730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "chlorpyrifos-dienestrol similarity", "source_label": "chlorpyrifos", "target_label": "dienestrol", "cosine_similarity": 0.4704675078392029 } }, { "source": "CID:637863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68602", "properties": { "id": "S-18986-medetomidine similarity", "source_label": "S-18986", "target_label": "medetomidine", "cosine_similarity": 0.5122430324554443 } }, { "source": "CID:73707418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "celastrol-BCI-hydrochloride similarity", "source_label": "celastrol", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.6500280499458313 } }, { "source": "CID:107807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "perindopril-DPCPX similarity", "source_label": "perindopril", "target_label": "DPCPX", "cosine_similarity": 0.4052162170410156 } }, { "source": "CID:4104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "methimazole-orphenadrine similarity", "source_label": "methimazole", "target_label": "orphenadrine", "cosine_similarity": 0.4944433569908142 } }, { "source": "CID:3646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "hydrocotarnine-gossypin similarity", "source_label": "hydrocotarnine", "target_label": "gossypin", "cosine_similarity": 0.3515135645866394 } }, { "source": "CID:57697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "pemirolast-methocarbamol similarity", "source_label": "pemirolast", "target_label": "methocarbamol", "cosine_similarity": 0.3411348462104797 } }, { "source": "CID:3969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449381", "properties": { "id": "tomelukast-oseltamivir-carboxylate similarity", "source_label": "tomelukast", "target_label": "oseltamivir-carboxylate", "cosine_similarity": 0.4275594353675842 } }, { "source": "CID:46940575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836020", "properties": { "id": "GDC-0152-birinapant similarity", "source_label": "GDC-0152", "target_label": "birinapant", "cosine_similarity": 0.5786749124526978 } }, { "source": "CID:4519822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "MRS-1334-cefotaxime similarity", "source_label": "MRS-1334", "target_label": "cefotaxime", "cosine_similarity": 0.2751124203205108 } }, { "source": "CID:15301607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129989", "properties": { "id": "VU-0415012-AQ-RA741 similarity", "source_label": "VU-0415012", "target_label": "AQ-RA741", "cosine_similarity": 0.2143409550189972 } }, { "source": "CID:9829526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4976", "properties": { "id": "siramesine-protriptyline similarity", "source_label": "siramesine", "target_label": "protriptyline", "cosine_similarity": 0.394915372133255 } }, { "source": "CID:6433109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4514", "properties": { "id": "XBD-173-nizofenone similarity", "source_label": "XBD-173", "target_label": "nizofenone", "cosine_similarity": 0.343378335237503 } }, { "source": "CID:123618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104865", "properties": { "id": "tecastemizole-bosentan similarity", "source_label": "tecastemizole", "target_label": "bosentan", "cosine_similarity": 0.3561474978923797 } }, { "source": "CID:5202074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "MRS-1845-alitretinoin similarity", "source_label": "MRS-1845", "target_label": "alitretinoin", "cosine_similarity": 0.2563194036483764 } }, { "source": "CID:119565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "l-bso-alda-1 similarity", "source_label": "l-bso", "target_label": "alda-1", "cosine_similarity": 0.3456228673458099 } }, { "source": "CID:16667717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "alclometasone-budesonide similarity", "source_label": "alclometasone", "target_label": "budesonide", "cosine_similarity": 0.3412061035633087 } }, { "source": "CID:11689583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:941650", "properties": { "id": "PSB-36-thiothixene similarity", "source_label": "PSB-36", "target_label": "thiothixene", "cosine_similarity": 0.3149265050888061 } }, { "source": "CID:1126109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "JX-401-SB-203580 similarity", "source_label": "JX-401", "target_label": "SB-203580", "cosine_similarity": 0.3840644955635071 } }, { "source": "CID:73707394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "SA-1447005-thiostrepton similarity", "source_label": "SA-1447005", "target_label": "thiostrepton", "cosine_similarity": 0.8131707906723022 } }, { "source": "CID:39147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "nadolol-XAV-939 similarity", "source_label": "nadolol", "target_label": "XAV-939", "cosine_similarity": 0.3885134756565094 } }, { "source": "CID:6173479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "MW-STK33-4A-sulforaphane similarity", "source_label": "MW-STK33-4A", "target_label": "sulforaphane", "cosine_similarity": 0.3182334899902344 } }, { "source": "CID:44483291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "medrysone-clobetasol similarity", "source_label": "medrysone", "target_label": "clobetasol", "cosine_similarity": 0.5163978934288025 } }, { "source": "CID:44497655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604889", "properties": { "id": "SA-102676-SB-269970 similarity", "source_label": "SA-102676", "target_label": "SB-269970", "cosine_similarity": 0.2771289050579071 } }, { "source": "CID:54658771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485243", "properties": { "id": "SA-1459430-SA-85290 similarity", "source_label": "SA-1459430", "target_label": "SA-85290", "cosine_similarity": 0.2360580414533615 } }, { "source": "CID:1548076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637566", "properties": { "id": "STK-721917-nerol similarity", "source_label": "STK-721917", "target_label": "nerol", "cosine_similarity": 0.259021908044815 } }, { "source": "CID:197810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "chelidonine-D-64131 similarity", "source_label": "chelidonine", "target_label": "D-64131", "cosine_similarity": 0.7868626117706299 } }, { "source": "CID:11598628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25117126", "properties": { "id": "PF-431396-defactinib similarity", "source_label": "PF-431396", "target_label": "defactinib", "cosine_similarity": 0.3910398483276367 } }, { "source": "CID:4831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "pipemidic-acid-cefprozil similarity", "source_label": "pipemidic-acid", "target_label": "cefprozil", "cosine_similarity": 0.2354650944471359 } }, { "source": "CID:11382492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CMPD-1-EMF-sumo1-39 similarity", "source_label": "CMPD-1", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4386586248874664 } }, { "source": "CID:54596143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "TUL-XX023-TUL_XIX003 similarity", "source_label": "TUL-XX023", "target_label": "TUL_XIX003", "cosine_similarity": 0.6939500570297241 } }, { "source": "CID:60795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42623900", "properties": { "id": "aripiprazole-QS-11 similarity", "source_label": "aripiprazole", "target_label": "QS-11", "cosine_similarity": 0.3385811150074005 } }, { "source": "CID:35802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "flubendazole-vinorelbine similarity", "source_label": "flubendazole", "target_label": "vinorelbine", "cosine_similarity": 0.5411055684089661 } }, { "source": "CID:3105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "dipivefrine-HO-013 similarity", "source_label": "dipivefrine", "target_label": "HO-013", "cosine_similarity": 0.2792859375476837 } }, { "source": "CID:5337997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "nifuroxazide-suloctidil similarity", "source_label": "nifuroxazide", "target_label": "suloctidil", "cosine_similarity": 0.3581079840660095 } }, { "source": "CID:4659569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "tolcapone-glimepiride similarity", "source_label": "tolcapone", "target_label": "glimepiride", "cosine_similarity": 0.33611661195755 } }, { "source": "CID:91668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "nomegestrol-acetate-BMS-191011 similarity", "source_label": "nomegestrol-acetate", "target_label": "BMS-191011", "cosine_similarity": 0.2187043726444244 } }, { "source": "CID:938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4260", "properties": { "id": "niacin-moxisylyte similarity", "source_label": "niacin", "target_label": "moxisylyte", "cosine_similarity": 0.3778676688671112 } }, { "source": "CID:16758175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "acivicin-dapivirine similarity", "source_label": "acivicin", "target_label": "dapivirine", "cosine_similarity": 0.33257657289505 } }, { "source": "CID:1604254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483271", "properties": { "id": "RAN-03-meclocycline similarity", "source_label": "RAN-03", "target_label": "meclocycline", "cosine_similarity": 0.2405819147825241 } }, { "source": "CID:91588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "salsolinol-ML-161 similarity", "source_label": "salsolinol", "target_label": "ML-161", "cosine_similarity": 0.3557605147361755 } }, { "source": "CID:51003685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "CVF-SUMO-14-K784-3187 similarity", "source_label": "CVF-SUMO-14", "target_label": "K784-3187", "cosine_similarity": 0.7222132086753845 } }, { "source": "CID:19582717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "CHEMBL-1222381-tacedinaline similarity", "source_label": "CHEMBL-1222381", "target_label": "tacedinaline", "cosine_similarity": 0.4948345720767975 } }, { "source": "CID:16362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "pimozide-GR-127935 similarity", "source_label": "pimozide", "target_label": "GR-127935", "cosine_similarity": 0.4569107592105865 } }, { "source": "CID:125519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010068", "properties": { "id": "aminogenistein-limonin similarity", "source_label": "aminogenistein", "target_label": "limonin", "cosine_similarity": 0.236737385392189 } }, { "source": "CID:54657733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-1459002-SA-1459849 similarity", "source_label": "SA-1459002", "target_label": "SA-1459849", "cosine_similarity": 0.1935607641935348 } }, { "source": "CID:9926999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "LY-456236-minoxidil similarity", "source_label": "LY-456236", "target_label": "minoxidil", "cosine_similarity": 0.2312054187059402 } }, { "source": "CID:7079134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604918", "properties": { "id": "JAS07-001-YM-976 similarity", "source_label": "JAS07-001", "target_label": "YM-976", "cosine_similarity": 0.2341004312038421 } }, { "source": "CID:6604789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "RS-56812-gliclazide similarity", "source_label": "RS-56812", "target_label": "gliclazide", "cosine_similarity": 0.3990434408187866 } }, { "source": "CID:54657737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1457769-SA-419050 similarity", "source_label": "SA-1457769", "target_label": "SA-419050", "cosine_similarity": 0.2201737314462661 } }, { "source": "CID:24770514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "CPI-613-S-18986 similarity", "source_label": "CPI-613", "target_label": "S-18986", "cosine_similarity": 0.4407142102718353 } }, { "source": "CID:54657712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:87217390", "properties": { "id": "SA-1457945-SU-014813 similarity", "source_label": "SA-1457945", "target_label": "SU-014813", "cosine_similarity": 0.1853211373090744 } }, { "source": "CID:6610281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4236", "properties": { "id": "lithium-chloride-modafinil similarity", "source_label": "lithium-chloride", "target_label": "modafinil", "cosine_similarity": 0.4572503864765167 } }, { "source": "CID:9905190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "CDC-parecoxib similarity", "source_label": "CDC", "target_label": "parecoxib", "cosine_similarity": 0.2727110087871551 } }, { "source": "CID:208901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "tesaglitazar-pritelivir similarity", "source_label": "tesaglitazar", "target_label": "pritelivir", "cosine_similarity": 0.3941301107406616 } }, { "source": "CID:9782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "betamethasone-clobetasol similarity", "source_label": "betamethasone", "target_label": "clobetasol", "cosine_similarity": 0.5025903582572937 } }, { "source": "CID:131536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010088", "properties": { "id": "fosamprenavir-bilobalide similarity", "source_label": "fosamprenavir", "target_label": "bilobalide", "cosine_similarity": 0.266607403755188 } }, { "source": "CID:6708716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3646", "properties": { "id": "catechin-hydrocotarnine similarity", "source_label": "catechin", "target_label": "hydrocotarnine", "cosine_similarity": 0.3680979907512665 } }, { "source": "CID:2141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "amifostine-valsartan similarity", "source_label": "amifostine", "target_label": "valsartan", "cosine_similarity": 0.3398798406124115 } }, { "source": "CID:54657751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "SA-1458306-SA-1456170 similarity", "source_label": "SA-1458306", "target_label": "SA-1456170", "cosine_similarity": 0.5231547355651855 } }, { "source": "CID:16126782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604789", "properties": { "id": "HNHA-RS-56812 similarity", "source_label": "HNHA", "target_label": "RS-56812", "cosine_similarity": 0.3055989146232605 } }, { "source": "CID:62872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "aminobenztropine-ITSA-1 similarity", "source_label": "aminobenztropine", "target_label": "ITSA-1", "cosine_similarity": 0.2912126779556274 } }, { "source": "CID:2787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "clinofibrate-rolipram similarity", "source_label": "clinofibrate", "target_label": "rolipram", "cosine_similarity": 0.2515504956245422 } }, { "source": "CID:24747172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "PSH-022-JAS07-006 similarity", "source_label": "PSH-022", "target_label": "JAS07-006", "cosine_similarity": 0.2985977530479431 } }, { "source": "CID:443375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "devazepide-NSC-3852 similarity", "source_label": "devazepide", "target_label": "NSC-3852", "cosine_similarity": 0.5641787648200989 } }, { "source": "CID:11646777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65681", "properties": { "id": "LY-2334737-isbufylline similarity", "source_label": "LY-2334737", "target_label": "isbufylline", "cosine_similarity": 0.3134863376617431 } }, { "source": "CID:44495084", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659817", "properties": { "id": "SA-440772-SA-1460032 similarity", "source_label": "SA-440772", "target_label": "SA-1460032", "cosine_similarity": 0.4038603901863098 } }, { "source": "CID:448912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "aloisine-JNJ-7706621 similarity", "source_label": "aloisine", "target_label": "JNJ-7706621", "cosine_similarity": 0.3524286150932312 } }, { "source": "CID:16736978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "KU-0063794-torin-1 similarity", "source_label": "KU-0063794", "target_label": "torin-1", "cosine_similarity": 0.8209730386734009 } }, { "source": "CID:44487665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "SA-85377-JZL-184 similarity", "source_label": "SA-85377", "target_label": "JZL-184", "cosine_similarity": 0.2746468782424927 } }, { "source": "CID:5311454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "stiripentol-oxaprozin similarity", "source_label": "stiripentol", "target_label": "oxaprozin", "cosine_similarity": 0.2140129506587982 } }, { "source": "CID:49871818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "JQ-1-R-orciprenaline similarity", "source_label": "JQ-1-R", "target_label": "orciprenaline", "cosine_similarity": 0.3670401275157928 } }, { "source": "CID:2457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "BU-224-levonorgestrel similarity", "source_label": "BU-224", "target_label": "levonorgestrel", "cosine_similarity": 0.2817156314849853 } }, { "source": "CID:54659308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659373", "properties": { "id": "SA-1457169-SA-1456305 similarity", "source_label": "SA-1457169", "target_label": "SA-1456305", "cosine_similarity": 0.2542429864406585 } }, { "source": "CID:54666567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25267262", "properties": { "id": "SA-1922261-E-7449 similarity", "source_label": "SA-1922261", "target_label": "E-7449", "cosine_similarity": 0.2155937850475311 } }, { "source": "CID:54676537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "acenocoumarol-aspirin similarity", "source_label": "acenocoumarol", "target_label": "aspirin", "cosine_similarity": 0.2905782759189605 } }, { "source": "CID:16112820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "neurodazine-DAC-012 similarity", "source_label": "neurodazine", "target_label": "DAC-012", "cosine_similarity": 0.3180799484252929 } }, { "source": "CID:2160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "amitriptyline-tamoxifen similarity", "source_label": "amitriptyline", "target_label": "tamoxifen", "cosine_similarity": 0.6318855881690979 } }, { "source": "CID:1354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "m-chlorophenylbiguanide-ARG-TC-41 similarity", "source_label": "m-chlorophenylbiguanide", "target_label": "ARG-TC-41", "cosine_similarity": 0.2248353213071823 } }, { "source": "CID:11455910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "TW-37-VU-0418946-1 similarity", "source_label": "TW-37", "target_label": "VU-0418946-1", "cosine_similarity": 0.8162042498588562 } }, { "source": "CID:3272300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "SB-203186-amikacin similarity", "source_label": "SB-203186", "target_label": "amikacin", "cosine_similarity": 0.4774573743343353 } }, { "source": "CID:60823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "atorvastatin-fluvastatin similarity", "source_label": "atorvastatin", "target_label": "fluvastatin", "cosine_similarity": 0.6093976497650146 } }, { "source": "CID:161566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73652146", "properties": { "id": "vanillyl-glycol-ionomycin similarity", "source_label": "vanillyl-glycol", "target_label": "ionomycin", "cosine_similarity": 0.1786804348230362 } }, { "source": "CID:57519544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44199317", "properties": { "id": "wnt-c59-AZD-2461 similarity", "source_label": "wnt-c59", "target_label": "AZD-2461", "cosine_similarity": 0.4282386898994446 } }, { "source": "CID:3280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282451", "properties": { "id": "ethaverine-pitavastatin similarity", "source_label": "ethaverine", "target_label": "pitavastatin", "cosine_similarity": 0.2652983069419861 } }, { "source": "CID:4887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "pranlukast-iguratimod similarity", "source_label": "pranlukast", "target_label": "iguratimod", "cosine_similarity": 0.2086731642484665 } }, { "source": "CID:4688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "pargyline-oleoylethanolamide similarity", "source_label": "pargyline", "target_label": "oleoylethanolamide", "cosine_similarity": 0.3409169614315033 } }, { "source": "CID:6710752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "iriflophenone-amikacin similarity", "source_label": "iriflophenone", "target_label": "amikacin", "cosine_similarity": 0.3898957669734955 } }, { "source": "CID:5310968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "SIB-1553A-RU-24969 similarity", "source_label": "SIB-1553A", "target_label": "RU-24969", "cosine_similarity": 0.246517077088356 } }, { "source": "CID:72385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "nonoxynol-9-CGP-71683 similarity", "source_label": "nonoxynol-9", "target_label": "CGP-71683", "cosine_similarity": 0.5724621415138245 } }, { "source": "CID:208898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "dronedarone-bicalutamide similarity", "source_label": "dronedarone", "target_label": "bicalutamide", "cosine_similarity": 0.3857720196247101 } }, { "source": "CID:71616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "voriconazole-ketorolac similarity", "source_label": "voriconazole", "target_label": "ketorolac", "cosine_similarity": 0.385387659072876 } }, { "source": "CID:9933475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "cediranib-vandetanib similarity", "source_label": "cediranib", "target_label": "vandetanib", "cosine_similarity": 0.5507686734199524 } }, { "source": "CID:1505783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498587", "properties": { "id": "STK-661558-SA-425500 similarity", "source_label": "STK-661558", "target_label": "SA-425500", "cosine_similarity": 0.3331340253353119 } }, { "source": "CID:26879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "levamisole-diazoxide similarity", "source_label": "levamisole", "target_label": "diazoxide", "cosine_similarity": 0.4912177324295044 } }, { "source": "CID:9865652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259135", "properties": { "id": "IDAM-VU-0415108-1 similarity", "source_label": "IDAM", "target_label": "VU-0415108-1", "cosine_similarity": 0.19586181640625 } }, { "source": "CID:24795070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "SGI-1776-GR-127935 similarity", "source_label": "SGI-1776", "target_label": "GR-127935", "cosine_similarity": 0.469794362783432 } }, { "source": "CID:44502203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657730", "properties": { "id": "SA-101686-SA-1458450 similarity", "source_label": "SA-101686", "target_label": "SA-1458450", "cosine_similarity": 0.3479177057743072 } }, { "source": "CID:10228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153994", "properties": { "id": "osthol-cleviprex similarity", "source_label": "osthol", "target_label": "cleviprex", "cosine_similarity": 0.2017046362161636 } }, { "source": "CID:2520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5735", "properties": { "id": "verapamil-zopiclone similarity", "source_label": "verapamil", "target_label": "zopiclone", "cosine_similarity": 0.4644055664539337 } }, { "source": "CID:1549120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2161", "properties": { "id": "epalrestat-amlexanox similarity", "source_label": "epalrestat", "target_label": "amlexanox", "cosine_similarity": 0.2060184180736541 } }, { "source": "CID:3152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "donepezil-NF-449 similarity", "source_label": "donepezil", "target_label": "NF-449", "cosine_similarity": 0.2321016490459442 } }, { "source": "CID:379077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "NSC-663284-cercosporin similarity", "source_label": "NSC-663284", "target_label": "cercosporin", "cosine_similarity": 0.634818434715271 } }, { "source": "CID:44483885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-244237-SA-434027 similarity", "source_label": "SA-244237", "target_label": "SA-434027", "cosine_similarity": 0.3077815175056457 } }, { "source": "CID:6918236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "perzinfotel-resatorvid similarity", "source_label": "perzinfotel", "target_label": "resatorvid", "cosine_similarity": 0.3636972606182098 } }, { "source": "CID:5356121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "flavokavain-b-cerulenin similarity", "source_label": "flavokavain-b", "target_label": "cerulenin", "cosine_similarity": 0.5348221063613892 } }, { "source": "CID:70680396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "MW-SHH-28-SAL-1 similarity", "source_label": "MW-SHH-28", "target_label": "SAL-1", "cosine_similarity": 0.304231584072113 } }, { "source": "CID:16231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "amiloride-aliskiren similarity", "source_label": "amiloride", "target_label": "aliskiren", "cosine_similarity": 0.3463231325149536 } }, { "source": "CID:3585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654560", "properties": { "id": "hemicholinium-3-SA-1473468 similarity", "source_label": "hemicholinium-3", "target_label": "SA-1473468", "cosine_similarity": 0.2909099459648132 } }, { "source": "CID:444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:483407", "properties": { "id": "bupropion-maraviroc similarity", "source_label": "bupropion", "target_label": "maraviroc", "cosine_similarity": 0.4205253720283508 } }, { "source": "CID:6759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11207937", "properties": { "id": "riboflavin-TMPH similarity", "source_label": "riboflavin", "target_label": "TMPH", "cosine_similarity": 0.2765308618545532 } }, { "source": "CID:4761", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "pheniramine-BMS-191011 similarity", "source_label": "pheniramine", "target_label": "BMS-191011", "cosine_similarity": 0.2399859428405761 } }, { "source": "CID:4008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "manidipine-WHI-P154 similarity", "source_label": "manidipine", "target_label": "WHI-P154", "cosine_similarity": 0.2655949294567108 } }, { "source": "CID:133017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "rupatadine-molsidomine similarity", "source_label": "rupatadine", "target_label": "molsidomine", "cosine_similarity": 0.726963996887207 } }, { "source": "CID:44589607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "7b-cis-NSC-95397 similarity", "source_label": "7b-cis", "target_label": "NSC-95397", "cosine_similarity": 0.6930529475212097 } }, { "source": "CID:135539077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23116322", "properties": { "id": "NVP-AUY922-KW-2478 similarity", "source_label": "NVP-AUY922", "target_label": "KW-2478", "cosine_similarity": 0.8962433934211731 } }, { "source": "CID:3677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "mephentermine-L-ergothioneine similarity", "source_label": "mephentermine", "target_label": "L-ergothioneine", "cosine_similarity": 0.4655084908008575 } }, { "source": "CID:46191454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "PHA-793887-JNJ-7706621 similarity", "source_label": "PHA-793887", "target_label": "JNJ-7706621", "cosine_similarity": 0.593833863735199 } }, { "source": "CID:6610313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ryanodine-gossypin similarity", "source_label": "ryanodine", "target_label": "gossypin", "cosine_similarity": 0.3099834322929382 } }, { "source": "CID:25126798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "ruxolitinib-brivanib similarity", "source_label": "ruxolitinib", "target_label": "brivanib", "cosine_similarity": 0.486173152923584 } }, { "source": "CID:54659817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44495084", "properties": { "id": "SA-1460032-SA-440772 similarity", "source_label": "SA-1460032", "target_label": "SA-440772", "cosine_similarity": 0.4038603901863098 } }, { "source": "CID:2953683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:839770", "properties": { "id": "MW-STK33-3B-RAN-14B similarity", "source_label": "MW-STK33-3B", "target_label": "RAN-14B", "cosine_similarity": 0.188912808895111 } }, { "source": "CID:11719255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "AVA-tubocurarine similarity", "source_label": "AVA", "target_label": "tubocurarine", "cosine_similarity": 0.2273954153060913 } }, { "source": "CID:4299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "W-13-KU-C104248 similarity", "source_label": "W-13", "target_label": "KU-C104248", "cosine_similarity": 0.2363722920417785 } }, { "source": "CID:72016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68210102", "properties": { "id": "efaroxan-GSK-2816126 similarity", "source_label": "efaroxan", "target_label": "GSK-2816126", "cosine_similarity": 0.2565198838710785 } }, { "source": "CID:135560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "EMF-csc-9-FTI-276 similarity", "source_label": "EMF-csc-9", "target_label": "FTI-276", "cosine_similarity": 0.4142897725105285 } }, { "source": "CID:3563638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "L-732138-phenothiazine similarity", "source_label": "L-732138", "target_label": "phenothiazine", "cosine_similarity": 0.2861161828041076 } }, { "source": "CID:44493137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SD-8-005-phenothiazine similarity", "source_label": "SD-8-005", "target_label": "phenothiazine", "cosine_similarity": 0.2703028619289398 } }, { "source": "CID:135976680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "BIX-02188-vemurafenib similarity", "source_label": "BIX-02188", "target_label": "vemurafenib", "cosine_similarity": 0.3628813922405243 } }, { "source": "CID:6009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "amidopyrine-pridinol similarity", "source_label": "amidopyrine", "target_label": "pridinol", "cosine_similarity": 0.6264120936393738 } }, { "source": "CID:4608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11249248", "properties": { "id": "micropenin-BMS-299897 similarity", "source_label": "micropenin", "target_label": "BMS-299897", "cosine_similarity": 0.2266694903373718 } }, { "source": "CID:54666591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666592", "properties": { "id": "SA-1922932-SA-1920683 similarity", "source_label": "SA-1922932", "target_label": "SA-1920683", "cosine_similarity": 0.2488432377576828 } }, { "source": "CID:68210102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253143", "properties": { "id": "GSK-2816126-GW-842166 similarity", "source_label": "GSK-2816126", "target_label": "GW-842166", "cosine_similarity": 0.3948265016078949 } }, { "source": "CID:131414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "NCS-382-ML-161 similarity", "source_label": "NCS-382", "target_label": "ML-161", "cosine_similarity": 0.3464820086956024 } }, { "source": "CID:73707372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "PP-30-PI-103 similarity", "source_label": "PP-30", "target_label": "PI-103", "cosine_similarity": 0.5839042067527771 } }, { "source": "CID:135925261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "rifampicin-FTI-276 similarity", "source_label": "rifampicin", "target_label": "FTI-276", "cosine_similarity": 0.2903675734996795 } }, { "source": "CID:71496458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "AZD-9291-tetrandrine similarity", "source_label": "AZD-9291", "target_label": "tetrandrine", "cosine_similarity": 0.4534304440021515 } }, { "source": "CID:65664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "artesunate-gossypol similarity", "source_label": "artesunate", "target_label": "gossypol", "cosine_similarity": 0.4673923254013061 } }, { "source": "CID:6759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "riboflavin-zebularine similarity", "source_label": "riboflavin", "target_label": "zebularine", "cosine_similarity": 0.2882736325263977 } }, { "source": "CID:54654232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3677", "properties": { "id": "SA-1463785-mephentermine similarity", "source_label": "SA-1463785", "target_label": "mephentermine", "cosine_similarity": 0.2562569677829742 } }, { "source": "CID:92258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "phenylacetylglutamine-orphenadrine similarity", "source_label": "phenylacetylglutamine", "target_label": "orphenadrine", "cosine_similarity": 0.3768897652626037 } }, { "source": "CID:5467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "tiapride-fomepizole similarity", "source_label": "tiapride", "target_label": "fomepizole", "cosine_similarity": 0.5304698944091797 } }, { "source": "CID:4574540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4595", "properties": { "id": "IRL-2500-ondansetron similarity", "source_label": "IRL-2500", "target_label": "ondansetron", "cosine_similarity": 0.275422066450119 } }, { "source": "CID:2132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "ambroxol-saxagliptin similarity", "source_label": "ambroxol", "target_label": "saxagliptin", "cosine_similarity": 0.3953100144863128 } }, { "source": "CID:44505124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SA-417716-gossypin similarity", "source_label": "SA-417716", "target_label": "gossypin", "cosine_similarity": 0.3519533276557922 } }, { "source": "CID:54657741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505769", "properties": { "id": "SA-1456039-SA-418267 similarity", "source_label": "SA-1456039", "target_label": "SA-418267", "cosine_similarity": 0.2518038749694824 } }, { "source": "CID:3503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "gossypol-RAF-265 similarity", "source_label": "gossypol", "target_label": "RAF-265", "cosine_similarity": 0.5329192280769348 } }, { "source": "CID:60823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "atorvastatin-simvastatin similarity", "source_label": "atorvastatin", "target_label": "simvastatin", "cosine_similarity": 0.6439570784568787 } }, { "source": "CID:6918409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "CO-101244-iproniazid similarity", "source_label": "CO-101244", "target_label": "iproniazid", "cosine_similarity": 0.5667187571525574 } }, { "source": "CID:3241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3792", "properties": { "id": "epinastine-itopride similarity", "source_label": "epinastine", "target_label": "itopride", "cosine_similarity": 0.3338235318660736 } }, { "source": "CID:180933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "chrysenequinone-EMF-bca1-16 similarity", "source_label": "chrysenequinone", "target_label": "EMF-bca1-16", "cosine_similarity": 0.6584341526031494 } }, { "source": "CID:60189692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616599", "properties": { "id": "SA-1938740-SA-427636 similarity", "source_label": "SA-1938740", "target_label": "SA-427636", "cosine_similarity": 0.2608184814453125 } }, { "source": "CID:1103147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281691", "properties": { "id": "YM-90709-rhamnetin similarity", "source_label": "YM-90709", "target_label": "rhamnetin", "cosine_similarity": 0.2405916005373001 } }, { "source": "CID:54666593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659352", "properties": { "id": "SA-1920687-SA-1455884 similarity", "source_label": "SA-1920687", "target_label": "SA-1455884", "cosine_similarity": 0.2276204973459243 } }, { "source": "CID:57335384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "rociletinib-CEP-37440 similarity", "source_label": "rociletinib", "target_label": "CEP-37440", "cosine_similarity": 0.35456383228302 } }, { "source": "CID:5734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "zonisamide-felodipine similarity", "source_label": "zonisamide", "target_label": "felodipine", "cosine_similarity": 0.3900558948516845 } }, { "source": "CID:54618085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483885", "properties": { "id": "SA-424068-SA-244237 similarity", "source_label": "SA-424068", "target_label": "SA-244237", "cosine_similarity": 0.2934870719909668 } }, { "source": "CID:3796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "KIN001-055-amikacin similarity", "source_label": "KIN001-055", "target_label": "amikacin", "cosine_similarity": 0.6032424569129944 } }, { "source": "CID:38409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "tienilic-acid-piperacillin similarity", "source_label": "tienilic-acid", "target_label": "piperacillin", "cosine_similarity": 0.2442186176776886 } }, { "source": "CID:9803433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "MK-0752-arbutin similarity", "source_label": "MK-0752", "target_label": "arbutin", "cosine_similarity": 0.3960548639297485 } }, { "source": "CID:6604763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "ICI-192605-S-18986 similarity", "source_label": "ICI-192605", "target_label": "S-18986", "cosine_similarity": 0.3059350550174713 } }, { "source": "CID:5281894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "NSC-94258-DAC-004 similarity", "source_label": "NSC-94258", "target_label": "DAC-004", "cosine_similarity": 0.206980898976326 } }, { "source": "CID:2554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "carbamazepine-fumonisin-b1 similarity", "source_label": "carbamazepine", "target_label": "fumonisin-b1", "cosine_similarity": 0.5198902487754822 } }, { "source": "CID:44607977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "KU-C104145-idelalisib similarity", "source_label": "KU-C104145", "target_label": "idelalisib", "cosine_similarity": 0.3108212947845459 } }, { "source": "CID:8400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5921", "properties": { "id": "benzoin-n-nitrosodiethylamine similarity", "source_label": "benzoin", "target_label": "n-nitrosodiethylamine", "cosine_similarity": 0.269335001707077 } }, { "source": "CID:4006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25171648", "properties": { "id": "malotilate-EMD-1214063 similarity", "source_label": "malotilate", "target_label": "EMD-1214063", "cosine_similarity": 0.4478761851787567 } }, { "source": "CID:5833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "spironolactone-sodium-gualenate similarity", "source_label": "spironolactone", "target_label": "sodium-gualenate", "cosine_similarity": 0.2986250519752502 } }, { "source": "CID:10040286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70882", "properties": { "id": "TC-1-moxaverine similarity", "source_label": "TC-1", "target_label": "moxaverine", "cosine_similarity": 0.282243937253952 } }, { "source": "CID:44488194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657705", "properties": { "id": "SA-426029-SA-1459172 similarity", "source_label": "SA-426029", "target_label": "SA-1459172", "cosine_similarity": 0.3820909261703491 } }, { "source": "CID:44630538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623840", "properties": { "id": "KU-C104254-KU-C104227 similarity", "source_label": "KU-C104254", "target_label": "KU-C104227", "cosine_similarity": 0.2275726497173309 } }, { "source": "CID:3048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "dieldrin-WYE-125132 similarity", "source_label": "dieldrin", "target_label": "WYE-125132", "cosine_similarity": 0.241328090429306 } }, { "source": "CID:1858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "6-chloromelatonin-hydroxyamphetamine similarity", "source_label": "6-chloromelatonin", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.5378720164299011 } }, { "source": "CID:91270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "moexipril-PT-630 similarity", "source_label": "moexipril", "target_label": "PT-630", "cosine_similarity": 0.2363348454236984 } }, { "source": "CID:24779724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "SGX-523-KIN001-269 similarity", "source_label": "SGX-523", "target_label": "KIN001-269", "cosine_similarity": 0.4665922224521637 } }, { "source": "CID:600670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "lomatin-tetrahydrouridine similarity", "source_label": "lomatin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4273967444896698 } }, { "source": "CID:4991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702266", "properties": { "id": "mestinon-amcinonide similarity", "source_label": "mestinon", "target_label": "amcinonide", "cosine_similarity": 0.3345310091972351 } }, { "source": "CID:9953592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548953", "properties": { "id": "naltrindole-clomifene similarity", "source_label": "naltrindole", "target_label": "clomifene", "cosine_similarity": 0.2622276544570923 } }, { "source": "CID:51358113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "torin-2-NVP-BEZ235 similarity", "source_label": "torin-2", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6435258984565735 } }, { "source": "CID:9330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "benactyzine-JAS07-006 similarity", "source_label": "benactyzine", "target_label": "JAS07-006", "cosine_similarity": 0.3817152976989746 } }, { "source": "CID:10341154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "VX-702-phenothiazine similarity", "source_label": "VX-702", "target_label": "phenothiazine", "cosine_similarity": 0.2772220373153686 } }, { "source": "CID:54686939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884817", "properties": { "id": "dihydrorobustic-acid-GR-79236 similarity", "source_label": "dihydrorobustic-acid", "target_label": "GR-79236", "cosine_similarity": 0.3107935488224029 } }, { "source": "CID:44484592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-424534-SA-1455938 similarity", "source_label": "SA-424534", "target_label": "SA-1455938", "cosine_similarity": 0.2235326617956161 } }, { "source": "CID:129228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "rufinamide-glimepiride similarity", "source_label": "rufinamide", "target_label": "glimepiride", "cosine_similarity": 0.2766778469085693 } }, { "source": "CID:641785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "cardamonin-K784-3131 similarity", "source_label": "cardamonin", "target_label": "K784-3131", "cosine_similarity": 0.2893819510936737 } }, { "source": "CID:310557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "EXO-1-PSH-003 similarity", "source_label": "EXO-1", "target_label": "PSH-003", "cosine_similarity": 0.3765057027339935 } }, { "source": "CID:54658669", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-1456227-SA-1920722 similarity", "source_label": "SA-1456227", "target_label": "SA-1920722", "cosine_similarity": 0.2721376121044159 } }, { "source": "CID:15604015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "ABC-294640-amikacin similarity", "source_label": "ABC-294640", "target_label": "amikacin", "cosine_similarity": 0.3935267329216003 } }, { "source": "CID:2126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "AM-580-tretinoin similarity", "source_label": "AM-580", "target_label": "tretinoin", "cosine_similarity": 0.5375725030899048 } }, { "source": "CID:25257557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "CX-5461-amsacrine similarity", "source_label": "CX-5461", "target_label": "amsacrine", "cosine_similarity": 0.4627421498298645 } }, { "source": "CID:4020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "mazindol-actarit similarity", "source_label": "mazindol", "target_label": "actarit", "cosine_similarity": 0.3391787111759186 } }, { "source": "CID:4029677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "CP-94253-XAV-939 similarity", "source_label": "CP-94253", "target_label": "XAV-939", "cosine_similarity": 0.2967077493667602 } }, { "source": "CID:5105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "roxatidine-gossypin similarity", "source_label": "roxatidine", "target_label": "gossypin", "cosine_similarity": 0.2419600188732147 } }, { "source": "CID:187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702135", "properties": { "id": "acetylcholine-strychnine similarity", "source_label": "acetylcholine", "target_label": "strychnine", "cosine_similarity": 0.2729089558124542 } }, { "source": "CID:11717001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "GDC-0879-ASN-05257430 similarity", "source_label": "GDC-0879", "target_label": "ASN-05257430", "cosine_similarity": 0.324224054813385 } }, { "source": "CID:25154868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "PF-750-sorafenib similarity", "source_label": "PF-750", "target_label": "sorafenib", "cosine_similarity": 0.3763717114925384 } }, { "source": "CID:71158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "acamprosate-zebularine similarity", "source_label": "acamprosate", "target_label": "zebularine", "cosine_similarity": 0.2542245090007782 } }, { "source": "CID:24747213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64981", "properties": { "id": "PSH-008-arctigenin similarity", "source_label": "PSH-008", "target_label": "arctigenin", "cosine_similarity": 0.2822005450725555 } }, { "source": "CID:44620034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-427604-SA-96816 similarity", "source_label": "SA-427604", "target_label": "SA-96816", "cosine_similarity": 0.4223510921001434 } }, { "source": "CID:3784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "isradipine-lamotrigine similarity", "source_label": "isradipine", "target_label": "lamotrigine", "cosine_similarity": 0.4587109684944153 } }, { "source": "CID:4350931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "LE-300-SA-103013 similarity", "source_label": "LE-300", "target_label": "SA-103013", "cosine_similarity": 0.2365334928035736 } }, { "source": "CID:1133083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1013-BG-1032 similarity", "source_label": "BG-1013", "target_label": "BG-1032", "cosine_similarity": 0.5126947164535522 } }, { "source": "CID:6419753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "D-4476-sertraline similarity", "source_label": "D-4476", "target_label": "sertraline", "cosine_similarity": 0.4832011461257934 } }, { "source": "CID:610479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "tolfenamic-acid-labetalol similarity", "source_label": "tolfenamic-acid", "target_label": "labetalol", "cosine_similarity": 0.3364708423614502 } }, { "source": "CID:44187362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "AS-703026-AZD-8330 similarity", "source_label": "AS-703026", "target_label": "AZD-8330", "cosine_similarity": 0.6917587518692017 } }, { "source": "CID:68712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "rilmenidine-BMY-14802 similarity", "source_label": "rilmenidine", "target_label": "BMY-14802", "cosine_similarity": 0.451100617647171 } }, { "source": "CID:49846579", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "GDC-0199-ABT-737 similarity", "source_label": "GDC-0199", "target_label": "ABT-737", "cosine_similarity": 0.4968273639678955 } }, { "source": "CID:16720766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "MLN-4924-oprozomib similarity", "source_label": "MLN-4924", "target_label": "oprozomib", "cosine_similarity": 0.4490664899349212 } }, { "source": "CID:4771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "phentermine-levosulpiride similarity", "source_label": "phentermine", "target_label": "levosulpiride", "cosine_similarity": 0.3190446197986603 } }, { "source": "CID:6194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "uracil-mustard-etoposide similarity", "source_label": "uracil-mustard", "target_label": "etoposide", "cosine_similarity": 0.4382349252700805 } }, { "source": "CID:5354033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "U-0126-cobimetinib similarity", "source_label": "U-0126", "target_label": "cobimetinib", "cosine_similarity": 0.602455198764801 } }, { "source": "CID:49792852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "NMS-1286937-KX-2391 similarity", "source_label": "NMS-1286937", "target_label": "KX-2391", "cosine_similarity": 0.8064340949058533 } }, { "source": "CID:46869952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "VU-0404997-2-KU-C104493 similarity", "source_label": "VU-0404997-2", "target_label": "KU-C104493", "cosine_similarity": 0.3945454955101013 } }, { "source": "CID:24747169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "PSH-024-PSH-028 similarity", "source_label": "PSH-024", "target_label": "PSH-028", "cosine_similarity": 0.3704834282398224 } }, { "source": "CID:439620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "oxalomalic-acid-PTB1 similarity", "source_label": "oxalomalic-acid", "target_label": "PTB1", "cosine_similarity": 0.3197614252567291 } }, { "source": "CID:4622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "oxibendazole-mebendazole similarity", "source_label": "oxibendazole", "target_label": "mebendazole", "cosine_similarity": 0.5535488724708557 } }, { "source": "CID:200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "AICA-ribonucleotide-darinaparsin similarity", "source_label": "AICA-ribonucleotide", "target_label": "darinaparsin", "cosine_similarity": 0.3823492527008056 } }, { "source": "CID:64945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68210102", "properties": { "id": "ursolic-acid-GSK-2816126 similarity", "source_label": "ursolic-acid", "target_label": "GSK-2816126", "cosine_similarity": 0.3825285136699676 } }, { "source": "CID:9705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "AY-9944-NTNCB similarity", "source_label": "AY-9944", "target_label": "NTNCB", "cosine_similarity": 0.4601598978042602 } }, { "source": "CID:16126782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "HNHA-carbamazepine similarity", "source_label": "HNHA", "target_label": "carbamazepine", "cosine_similarity": 0.2643369436264038 } }, { "source": "CID:208902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "ramelteon-RG-108 similarity", "source_label": "ramelteon", "target_label": "RG-108", "cosine_similarity": 0.3605490922927856 } }, { "source": "CID:44511091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "formestane-phenformin similarity", "source_label": "formestane", "target_label": "phenformin", "cosine_similarity": 0.3401240706443786 } }, { "source": "CID:399698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "n-bromoacetyltryptamine-puromycin similarity", "source_label": "n-bromoacetyltryptamine", "target_label": "puromycin", "cosine_similarity": 0.6007043719291687 } }, { "source": "CID:5281004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "budesonide-dexamethasone similarity", "source_label": "budesonide", "target_label": "dexamethasone", "cosine_similarity": 0.6104704141616821 } }, { "source": "CID:2327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "benserazide-levopropoxyphene similarity", "source_label": "benserazide", "target_label": "levopropoxyphene", "cosine_similarity": 0.274236798286438 } }, { "source": "CID:4296446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "VU-0447127-2-flutamide similarity", "source_label": "VU-0447127-2", "target_label": "flutamide", "cosine_similarity": 0.2381998896598816 } }, { "source": "CID:44630538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "KU-C104254-COL-3 similarity", "source_label": "KU-C104254", "target_label": "COL-3", "cosine_similarity": 0.2290942817926406 } }, { "source": "CID:10068193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443389", "properties": { "id": "LM-1685-SB-221284 similarity", "source_label": "LM-1685", "target_label": "SB-221284", "cosine_similarity": 0.2390991300344467 } }, { "source": "CID:4487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "nifenazone-BG-STK33-03 similarity", "source_label": "nifenazone", "target_label": "BG-STK33-03", "cosine_similarity": 0.2349027395248413 } }, { "source": "CID:300471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "elesclomol-pifithrin-mu similarity", "source_label": "elesclomol", "target_label": "pifithrin-mu", "cosine_similarity": 0.4552310109138489 } }, { "source": "CID:5411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "tetracaine-repaglinide similarity", "source_label": "tetracaine", "target_label": "repaglinide", "cosine_similarity": 0.41737100481987 } }, { "source": "CID:515328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "fdcyd-mitomycin-c similarity", "source_label": "fdcyd", "target_label": "mitomycin-c", "cosine_similarity": 0.5929579734802246 } }, { "source": "CID:6444692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46885626", "properties": { "id": "mubritinib-GSK-1070916 similarity", "source_label": "mubritinib", "target_label": "GSK-1070916", "cosine_similarity": 0.329192578792572 } }, { "source": "CID:54671008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2799", "properties": { "id": "raltegravir-clofoctol similarity", "source_label": "raltegravir", "target_label": "clofoctol", "cosine_similarity": 0.4144811034202575 } }, { "source": "CID:24856237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "FU-JMBII105B-pifithrin-mu similarity", "source_label": "FU-JMBII105B", "target_label": "pifithrin-mu", "cosine_similarity": 0.4124667644500732 } }, { "source": "CID:51348735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "hyperforin-tyrphostin-A9 similarity", "source_label": "hyperforin", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5246152877807617 } }, { "source": "CID:44483957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "SA-424936-phenoxazine similarity", "source_label": "SA-424936", "target_label": "phenoxazine", "cosine_similarity": 0.3196464478969574 } }, { "source": "CID:11950170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "KD-025-delanzomib similarity", "source_label": "KD-025", "target_label": "delanzomib", "cosine_similarity": 0.1965847015380859 } }, { "source": "CID:9918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24988881", "properties": { "id": "norcyclobenzaprine-MK-8245 similarity", "source_label": "norcyclobenzaprine", "target_label": "MK-8245", "cosine_similarity": 0.2805925011634826 } }, { "source": "CID:8369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "larixinic-acid-ST-059620 similarity", "source_label": "larixinic-acid", "target_label": "ST-059620", "cosine_similarity": 0.2672629952430725 } }, { "source": "CID:2819095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10405323", "properties": { "id": "KM-00799-WR-216174 similarity", "source_label": "KM-00799", "target_label": "WR-216174", "cosine_similarity": 0.3670464754104614 } }, { "source": "CID:57030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "brequinar-genz-644282 similarity", "source_label": "brequinar", "target_label": "genz-644282", "cosine_similarity": 0.5155232548713684 } }, { "source": "CID:2799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46861623", "properties": { "id": "clofoctol-AZD-9668 similarity", "source_label": "clofoctol", "target_label": "AZD-9668", "cosine_similarity": 0.32246994972229 } }, { "source": "CID:4261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "entinostat-tacedinaline similarity", "source_label": "entinostat", "target_label": "tacedinaline", "cosine_similarity": 0.8487434387207031 } }, { "source": "CID:6321411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "cefixime-enzalutamide similarity", "source_label": "cefixime", "target_label": "enzalutamide", "cosine_similarity": 0.3648970127105713 } }, { "source": "CID:34677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133106", "properties": { "id": "2-aminotetralin-SIB-1508Y similarity", "source_label": "2-aminotetralin", "target_label": "SIB-1508Y", "cosine_similarity": 0.1867757141590118 } }, { "source": "CID:5904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "benzylpenicillin-methimazole similarity", "source_label": "benzylpenicillin", "target_label": "methimazole", "cosine_similarity": 0.4091010093688965 } }, { "source": "CID:2703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2993", "properties": { "id": "chelerythrine-dequalinium similarity", "source_label": "chelerythrine", "target_label": "dequalinium", "cosine_similarity": 0.3626661598682403 } }, { "source": "CID:73438898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707373", "properties": { "id": "CHIR-99021-COT-10b similarity", "source_label": "CHIR-99021", "target_label": "COT-10b", "cosine_similarity": 0.608606219291687 } }, { "source": "CID:1285940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "C-646-NSC-95397 similarity", "source_label": "C-646", "target_label": "NSC-95397", "cosine_similarity": 0.6051231026649475 } }, { "source": "CID:9914412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "ZM-447439-tipiracil similarity", "source_label": "ZM-447439", "target_label": "tipiracil", "cosine_similarity": 0.2771979868412018 } }, { "source": "CID:6129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "carbaryl-SA-1473405 similarity", "source_label": "carbaryl", "target_label": "SA-1473405", "cosine_similarity": 0.2840988636016845 } }, { "source": "CID:5353962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "ST-638-syringic-acid similarity", "source_label": "ST-638", "target_label": "syringic-acid", "cosine_similarity": 0.2530992925167084 } }, { "source": "CID:9675990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "PAC-1-TW-37 similarity", "source_label": "PAC-1", "target_label": "TW-37", "cosine_similarity": 0.7507544755935669 } }, { "source": "CID:3033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "diclofenac-diethylcarbamazine similarity", "source_label": "diclofenac", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3836947977542877 } }, { "source": "CID:164509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213023", "properties": { "id": "talampanel-dabigatran-etexilate similarity", "source_label": "talampanel", "target_label": "dabigatran-etexilate", "cosine_similarity": 0.2193785905838012 } }, { "source": "CID:656732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "XE-991-lomerizine similarity", "source_label": "XE-991", "target_label": "lomerizine", "cosine_similarity": 0.2770314812660217 } }, { "source": "CID:44473128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "KU-C103672-cefotaxime similarity", "source_label": "KU-C103672", "target_label": "cefotaxime", "cosine_similarity": 0.2914296686649322 } }, { "source": "CID:25124816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "GSK-1904529A-lapatinib similarity", "source_label": "GSK-1904529A", "target_label": "lapatinib", "cosine_similarity": 0.3355104625225067 } }, { "source": "CID:24094187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "UGISS-451-dichlorobenzamil similarity", "source_label": "UGISS-451", "target_label": "dichlorobenzamil", "cosine_similarity": 0.3556334972381592 } }, { "source": "CID:457193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "dactinomycin-PIK-75 similarity", "source_label": "dactinomycin", "target_label": "PIK-75", "cosine_similarity": 0.8358725309371948 } }, { "source": "CID:5284585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "loracarbef-meclofenamic-acid similarity", "source_label": "loracarbef", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2639722228050232 } }, { "source": "CID:10099206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216454", "properties": { "id": "LB-42708-L-778123 similarity", "source_label": "LB-42708", "target_label": "L-778123", "cosine_similarity": 0.611160933971405 } }, { "source": "CID:54657732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-1458985-SA-85148 similarity", "source_label": "SA-1458985", "target_label": "SA-85148", "cosine_similarity": 0.2444641292095184 } }, { "source": "CID:5281607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "chrysin-travoprost similarity", "source_label": "chrysin", "target_label": "travoprost", "cosine_similarity": 0.3227450251579284 } }, { "source": "CID:3339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "fenofibrate-amifostine similarity", "source_label": "fenofibrate", "target_label": "amifostine", "cosine_similarity": 0.2716525793075561 } }, { "source": "CID:45489406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2478", "properties": { "id": "VU-0415535-1-busulfan similarity", "source_label": "VU-0415535-1", "target_label": "busulfan", "cosine_similarity": 0.2291925847530365 } }, { "source": "CID:107982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "dihydrocapsaicin-NSC-3852 similarity", "source_label": "dihydrocapsaicin", "target_label": "NSC-3852", "cosine_similarity": 0.3001332581043243 } }, { "source": "CID:5735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2520", "properties": { "id": "zopiclone-verapamil similarity", "source_label": "zopiclone", "target_label": "verapamil", "cosine_similarity": 0.4644055664539337 } }, { "source": "CID:132449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "L-690330-iguratimod similarity", "source_label": "L-690330", "target_label": "iguratimod", "cosine_similarity": 0.4613477885723114 } }, { "source": "CID:4237309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "L-701252-DAC-009 similarity", "source_label": "L-701252", "target_label": "DAC-009", "cosine_similarity": 0.2389170229434967 } }, { "source": "CID:2603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "CCCP-niclosamide similarity", "source_label": "CCCP", "target_label": "niclosamide", "cosine_similarity": 0.5314975380897522 } }, { "source": "CID:129009857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "tobramycin-felodipine similarity", "source_label": "tobramycin", "target_label": "felodipine", "cosine_similarity": 0.3310335576534271 } }, { "source": "CID:119565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "l-bso-amisulpride similarity", "source_label": "l-bso", "target_label": "amisulpride", "cosine_similarity": 0.323045402765274 } }, { "source": "CID:598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "mesna-eriodictyol similarity", "source_label": "mesna", "target_label": "eriodictyol", "cosine_similarity": 0.2788624167442322 } }, { "source": "CID:132846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "L-733060-Y-134 similarity", "source_label": "L-733060", "target_label": "Y-134", "cosine_similarity": 0.5173192024230957 } }, { "source": "CID:9819927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "LY-341495-phenothiazine similarity", "source_label": "LY-341495", "target_label": "phenothiazine", "cosine_similarity": 0.2656561732292175 } }, { "source": "CID:5356121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "flavokavain-b-NSC-3852 similarity", "source_label": "flavokavain-b", "target_label": "NSC-3852", "cosine_similarity": 0.5333320498466492 } }, { "source": "CID:51003695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "CVF-SUMO-7-CVF-SUMO-14 similarity", "source_label": "CVF-SUMO-7", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.7051328420639038 } }, { "source": "CID:91610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "gliquidone-clofibric-acid similarity", "source_label": "gliquidone", "target_label": "clofibric-acid", "cosine_similarity": 0.3378861546516418 } }, { "source": "CID:2820696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "KM-04644SC-EMF-sumo1-6 similarity", "source_label": "KM-04644SC", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2810246646404266 } }, { "source": "CID:24747183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "JAS07-008-SAL-1 similarity", "source_label": "JAS07-008", "target_label": "SAL-1", "cosine_similarity": 0.348320335149765 } }, { "source": "CID:8515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "pyrazolanthrone-KIN001-242 similarity", "source_label": "pyrazolanthrone", "target_label": "KIN001-242", "cosine_similarity": 0.3314879536628723 } }, { "source": "CID:5281707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10620479", "properties": { "id": "coumestrol-BML-278 similarity", "source_label": "coumestrol", "target_label": "BML-278", "cosine_similarity": 0.2989566624164581 } }, { "source": "CID:14187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "ST-1859-pritelivir similarity", "source_label": "ST-1859", "target_label": "pritelivir", "cosine_similarity": 0.4214997291564941 } }, { "source": "CID:16741245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "AZD-7545-7-nitroindazole similarity", "source_label": "AZD-7545", "target_label": "7-nitroindazole", "cosine_similarity": 0.3814047873020172 } }, { "source": "CID:446596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "mupirocin-Gossypetin similarity", "source_label": "mupirocin", "target_label": "Gossypetin", "cosine_similarity": 0.2584496438503265 } }, { "source": "CID:16046239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "TCB2-lorazepam similarity", "source_label": "TCB2", "target_label": "lorazepam", "cosine_similarity": 0.2681660950183868 } }, { "source": "CID:9908992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "RS-79948-TUL-XX025TFA similarity", "source_label": "RS-79948", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2637962996959686 } }, { "source": "CID:9799509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "ER-27319-CGP-60474 similarity", "source_label": "ER-27319", "target_label": "CGP-60474", "cosine_similarity": 0.7000267505645752 } }, { "source": "CID:25044703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4462449", "properties": { "id": "TMI-15-CAY-10578 similarity", "source_label": "TMI-15", "target_label": "CAY-10578", "cosine_similarity": 0.2340064644813537 } }, { "source": "CID:3392731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "GW-7647-lorazepam similarity", "source_label": "GW-7647", "target_label": "lorazepam", "cosine_similarity": 0.2548623085021972 } }, { "source": "CID:3545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119376", "properties": { "id": "C-1-GR-113808 similarity", "source_label": "C-1", "target_label": "GR-113808", "cosine_similarity": 0.3686292767524719 } }, { "source": "CID:73707438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707595", "properties": { "id": "YL-54-avicin-d similarity", "source_label": "YL-54", "target_label": "avicin-d", "cosine_similarity": 0.2610008120536804 } }, { "source": "CID:3607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "hexetidine-BG-STK33-55 similarity", "source_label": "hexetidine", "target_label": "BG-STK33-55", "cosine_similarity": 0.2795071899890899 } }, { "source": "CID:4594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2132", "properties": { "id": "omeprazole-ambroxol similarity", "source_label": "omeprazole", "target_label": "ambroxol", "cosine_similarity": 0.3614777028560638 } }, { "source": "CID:70680404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "AT1-SHH-09-temozolomide similarity", "source_label": "AT1-SHH-09", "target_label": "temozolomide", "cosine_similarity": 0.3414058983325958 } }, { "source": "CID:4497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "nimodipine-losartan similarity", "source_label": "nimodipine", "target_label": "losartan", "cosine_similarity": 0.4859148859977722 } }, { "source": "CID:45259135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "VU-0415108-1-GDC-0980 similarity", "source_label": "VU-0415108-1", "target_label": "GDC-0980", "cosine_similarity": 0.2448797076940536 } }, { "source": "CID:35375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "etofenamate-REV-5901 similarity", "source_label": "etofenamate", "target_label": "REV-5901", "cosine_similarity": 0.3244149386882782 } }, { "source": "CID:3114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "disopyramide-liranaftate similarity", "source_label": "disopyramide", "target_label": "liranaftate", "cosine_similarity": 0.518753170967102 } }, { "source": "CID:230710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11998575", "properties": { "id": "ML-204-palomid-529 similarity", "source_label": "ML-204", "target_label": "palomid-529", "cosine_similarity": 0.3162555694580078 } }, { "source": "CID:49843158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "SD-6-035-A10-metacetamol similarity", "source_label": "SD-6-035-A10", "target_label": "metacetamol", "cosine_similarity": 0.282600075006485 } }, { "source": "CID:148184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "ampalex-flutamide similarity", "source_label": "ampalex", "target_label": "flutamide", "cosine_similarity": 0.5019871592521667 } }, { "source": "CID:9844347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "CFM-1571-trifluoperazine similarity", "source_label": "CFM-1571", "target_label": "trifluoperazine", "cosine_similarity": 0.3791107833385467 } }, { "source": "CID:2680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "cetraxate-iniparib similarity", "source_label": "cetraxate", "target_label": "iniparib", "cosine_similarity": 0.2961984574794769 } }, { "source": "CID:54613929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-243276-SA-85268 similarity", "source_label": "SA-243276", "target_label": "SA-85268", "cosine_similarity": 0.2593613266944885 } }, { "source": "CID:8609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "phenyl-aminosalicylate-MM77 similarity", "source_label": "phenyl-aminosalicylate", "target_label": "MM77", "cosine_similarity": 0.6340870261192322 } }, { "source": "CID:5288783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280453", "properties": { "id": "calcipotriol-calcitriol similarity", "source_label": "calcipotriol", "target_label": "calcitriol", "cosine_similarity": 0.7401182651519775 } }, { "source": "CID:3899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "leflunomide-PP-110 similarity", "source_label": "leflunomide", "target_label": "PP-110", "cosine_similarity": 0.3105193972587585 } }, { "source": "CID:691868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "ST-4029010-PT-630 similarity", "source_label": "ST-4029010", "target_label": "PT-630", "cosine_similarity": 0.305411159992218 } }, { "source": "CID:5281901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "oligomycin-c-NNC-55-0396 similarity", "source_label": "oligomycin-c", "target_label": "NNC-55-0396", "cosine_similarity": 0.5279339551925659 } }, { "source": "CID:6780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2355", "properties": { "id": "anthraquinone-bergapten similarity", "source_label": "anthraquinone", "target_label": "bergapten", "cosine_similarity": 0.5543125867843628 } }, { "source": "CID:50248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50922681", "properties": { "id": "triclabendazole-NSI-189 similarity", "source_label": "triclabendazole", "target_label": "NSI-189", "cosine_similarity": 0.2753039598464966 } }, { "source": "CID:44462705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "KU-C103654-phenothiazine similarity", "source_label": "KU-C103654", "target_label": "phenothiazine", "cosine_similarity": 0.2551432847976684 } }, { "source": "CID:68093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "dipyrocetyl-dichlorophen similarity", "source_label": "dipyrocetyl", "target_label": "dichlorophen", "cosine_similarity": 0.5621079206466675 } }, { "source": "CID:622606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "desmethylclomipramine-RS-17053 similarity", "source_label": "desmethylclomipramine", "target_label": "RS-17053", "cosine_similarity": 0.2864960134029388 } }, { "source": "CID:60651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "marbofloxacin-indinavir similarity", "source_label": "marbofloxacin", "target_label": "indinavir", "cosine_similarity": 0.5472576022148132 } }, { "source": "CID:216210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10377751", "properties": { "id": "dabigatran-AS-605240 similarity", "source_label": "dabigatran", "target_label": "AS-605240", "cosine_similarity": 0.1902023404836654 } }, { "source": "CID:2780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4203080", "properties": { "id": "clebopride-L-655708 similarity", "source_label": "clebopride", "target_label": "L-655708", "cosine_similarity": 0.278106540441513 } }, { "source": "CID:11646823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "CTEP-MLN-0128 similarity", "source_label": "CTEP", "target_label": "MLN-0128", "cosine_similarity": 0.1908004730939865 } }, { "source": "CID:90241673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1356208", "properties": { "id": "EPZ-015666-SANT-1 similarity", "source_label": "EPZ-015666", "target_label": "SANT-1", "cosine_similarity": 0.5998719334602356 } }, { "source": "CID:25262965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "AZD-8055-torin-1 similarity", "source_label": "AZD-8055", "target_label": "torin-1", "cosine_similarity": 0.8778050541877747 } }, { "source": "CID:14520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "citiolone-amikacin similarity", "source_label": "citiolone", "target_label": "amikacin", "cosine_similarity": 0.2924963533878326 } }, { "source": "CID:4037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "meclofenamic-acid-amikacin similarity", "source_label": "meclofenamic-acid", "target_label": "amikacin", "cosine_similarity": 0.7839881181716919 } }, { "source": "CID:12625909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5340", "properties": { "id": "cloxacillin-sulfathiazole similarity", "source_label": "cloxacillin", "target_label": "sulfathiazole", "cosine_similarity": 0.3135941326618194 } }, { "source": "CID:54660174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "SA-1458610-erythrosine similarity", "source_label": "SA-1458610", "target_label": "erythrosine", "cosine_similarity": 0.3516006767749786 } }, { "source": "CID:2763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328768", "properties": { "id": "ciprofibrate-TYRPHOSTIN-46 similarity", "source_label": "ciprofibrate", "target_label": "TYRPHOSTIN-46", "cosine_similarity": 0.2439817935228347 } }, { "source": "CID:72172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "ubenimex-aliskiren similarity", "source_label": "ubenimex", "target_label": "aliskiren", "cosine_similarity": 0.3352437019348144 } }, { "source": "CID:1285940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "C-646-7b-cis similarity", "source_label": "C-646", "target_label": "7b-cis", "cosine_similarity": 0.5532687306404114 } }, { "source": "CID:4236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9883029", "properties": { "id": "modafinil-orteronel similarity", "source_label": "modafinil", "target_label": "orteronel", "cosine_similarity": 0.4126498401165008 } }, { "source": "CID:44496365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-243929-SA-417716 similarity", "source_label": "SA-243929", "target_label": "SA-417716", "cosine_similarity": 0.3072440028190613 } }, { "source": "CID:54658535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504533", "properties": { "id": "SA-1459975-SA-103150 similarity", "source_label": "SA-1459975", "target_label": "SA-103150", "cosine_similarity": 0.4101550579071045 } }, { "source": "CID:4906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "prilocaine-phenothiazine similarity", "source_label": "prilocaine", "target_label": "phenothiazine", "cosine_similarity": 0.2657886445522308 } }, { "source": "CID:73078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "tetrandrine-thioridazine similarity", "source_label": "tetrandrine", "target_label": "thioridazine", "cosine_similarity": 0.6397461295127869 } }, { "source": "CID:3048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44241483", "properties": { "id": "dieldrin-VU-0403126 similarity", "source_label": "dieldrin", "target_label": "VU-0403126", "cosine_similarity": 0.2357258349657058 } }, { "source": "CID:3749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "irbesartan-adenosine similarity", "source_label": "irbesartan", "target_label": "adenosine", "cosine_similarity": 0.3654263019561767 } }, { "source": "CID:51695577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707614", "properties": { "id": "melengestrol-KW-06 similarity", "source_label": "melengestrol", "target_label": "KW-06", "cosine_similarity": 0.2158512473106384 } }, { "source": "CID:4771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5310966", "properties": { "id": "phentermine-varenicline similarity", "source_label": "phentermine", "target_label": "varenicline", "cosine_similarity": 0.3342558443546295 } }, { "source": "CID:54675769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "novobiocin-meloxicam similarity", "source_label": "novobiocin", "target_label": "meloxicam", "cosine_similarity": 0.333787739276886 } }, { "source": "CID:44640183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "KU-C104486-COL-3 similarity", "source_label": "KU-C104486", "target_label": "COL-3", "cosine_similarity": 0.4928684830665588 } }, { "source": "CID:1549120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65997", "properties": { "id": "epalrestat-lerisetron similarity", "source_label": "epalrestat", "target_label": "lerisetron", "cosine_similarity": 0.1951420754194259 } }, { "source": "CID:4891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4114", "properties": { "id": "praziquantel-methoxsalen similarity", "source_label": "praziquantel", "target_label": "methoxsalen", "cosine_similarity": 0.315919429063797 } }, { "source": "CID:2895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "cyclobenzaprine-loxoprofen similarity", "source_label": "cyclobenzaprine", "target_label": "loxoprofen", "cosine_similarity": 0.4210967719554901 } }, { "source": "CID:2818982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "KM-00519SC-ARG-CSC-81 similarity", "source_label": "KM-00519SC", "target_label": "ARG-CSC-81", "cosine_similarity": 0.3879335522651672 } }, { "source": "CID:9865515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "mocetinostat-entinostat similarity", "source_label": "mocetinostat", "target_label": "entinostat", "cosine_similarity": 0.908598244190216 } }, { "source": "CID:7048637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10770", "properties": { "id": "cefalotin-hexylcaine similarity", "source_label": "cefalotin", "target_label": "hexylcaine", "cosine_similarity": 0.2511647045612335 } }, { "source": "CID:73707399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-1458571-SA-417716 similarity", "source_label": "SA-1458571", "target_label": "SA-417716", "cosine_similarity": 0.3257785439491272 } }, { "source": "CID:2995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26987", "properties": { "id": "desipramine-clemastine similarity", "source_label": "desipramine", "target_label": "clemastine", "cosine_similarity": 0.5845687389373779 } }, { "source": "CID:72199292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "ETP-46464-AZD-8055 similarity", "source_label": "ETP-46464", "target_label": "AZD-8055", "cosine_similarity": 0.4724076092243194 } }, { "source": "CID:11560787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "E-2012-milrinone similarity", "source_label": "E-2012", "target_label": "milrinone", "cosine_similarity": 0.3857024013996124 } }, { "source": "CID:681615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "KDM-096-thiazolopyrimidine similarity", "source_label": "KDM-096", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2346083372831344 } }, { "source": "CID:108029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "RU-24969-pinacidil similarity", "source_label": "RU-24969", "target_label": "pinacidil", "cosine_similarity": 0.3784027695655823 } }, { "source": "CID:104858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4116", "properties": { "id": "S-nitrosoglutathione-methoxyflurane similarity", "source_label": "S-nitrosoglutathione", "target_label": "methoxyflurane", "cosine_similarity": 0.2768207788467407 } }, { "source": "CID:2663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:839770", "properties": { "id": "celiprolol-RAN-14B similarity", "source_label": "celiprolol", "target_label": "RAN-14B", "cosine_similarity": 0.2024013400077819 } }, { "source": "CID:2756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132449", "properties": { "id": "cimetidine-L-690330 similarity", "source_label": "cimetidine", "target_label": "L-690330", "cosine_similarity": 0.4457569420337677 } }, { "source": "CID:54657755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "SA-1459830-minoxidil similarity", "source_label": "SA-1459830", "target_label": "minoxidil", "cosine_similarity": 0.262200266122818 } }, { "source": "CID:57469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "imiquimod-desoxypeganine similarity", "source_label": "imiquimod", "target_label": "desoxypeganine", "cosine_similarity": 0.4121369421482086 } }, { "source": "CID:49855250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "SB-939-vorinostat similarity", "source_label": "SB-939", "target_label": "vorinostat", "cosine_similarity": 0.7919294238090515 } }, { "source": "CID:701939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "MW-A1-12-BG-FA-0953 similarity", "source_label": "MW-A1-12", "target_label": "BG-FA-0953", "cosine_similarity": 0.5066032409667969 } }, { "source": "CID:44623833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13292831", "properties": { "id": "KU-C104218-prostaglandin similarity", "source_label": "KU-C104218", "target_label": "prostaglandin", "cosine_similarity": 0.1852204799652099 } }, { "source": "CID:130956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3059", "properties": { "id": "minodronic-acid-diflunisal similarity", "source_label": "minodronic-acid", "target_label": "diflunisal", "cosine_similarity": 0.1923932433128357 } }, { "source": "CID:45006121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "lacitol-phenylbutazone similarity", "source_label": "lacitol", "target_label": "phenylbutazone", "cosine_similarity": 0.3143661618232727 } }, { "source": "CID:54668959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "SA-1919710-BMS-754807 similarity", "source_label": "SA-1919710", "target_label": "BMS-754807", "cosine_similarity": 0.2922498285770416 } }, { "source": "CID:5283731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "calcifediol-doramapimod similarity", "source_label": "calcifediol", "target_label": "doramapimod", "cosine_similarity": 0.2781970798969269 } }, { "source": "CID:400169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "SC-144-VU-0418946-1 similarity", "source_label": "SC-144", "target_label": "VU-0418946-1", "cosine_similarity": 0.7598265409469604 } }, { "source": "CID:441243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3455", "properties": { "id": "saquinavir-vanoxerine similarity", "source_label": "saquinavir", "target_label": "vanoxerine", "cosine_similarity": 0.2860508263111114 } }, { "source": "CID:46897843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11754511", "properties": { "id": "VU-0420364-1-BX-912 similarity", "source_label": "VU-0420364-1", "target_label": "BX-912", "cosine_similarity": 0.2755852341651916 } }, { "source": "CID:9821459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5383", "properties": { "id": "J-104129-tebuthiuron similarity", "source_label": "J-104129", "target_label": "tebuthiuron", "cosine_similarity": 0.2542637288570404 } }, { "source": "CID:5281855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "ellagic-acid-BMS-641988 similarity", "source_label": "ellagic-acid", "target_label": "BMS-641988", "cosine_similarity": 0.4431557953357696 } }, { "source": "CID:9727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707560", "properties": { "id": "methyltyramine-DASB similarity", "source_label": "methyltyramine", "target_label": "DASB", "cosine_similarity": 0.2351049035787582 } }, { "source": "CID:11655119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:447966", "properties": { "id": "LY-2109761-LY-364947 similarity", "source_label": "LY-2109761", "target_label": "LY-364947", "cosine_similarity": 0.3579794764518738 } }, { "source": "CID:23760717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "CA-074-Me-NSC-3852 similarity", "source_label": "CA-074-Me", "target_label": "NSC-3852", "cosine_similarity": 0.5699821710586548 } }, { "source": "CID:56959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "ranolazine-mirtazapine similarity", "source_label": "ranolazine", "target_label": "mirtazapine", "cosine_similarity": 0.3107597827911377 } }, { "source": "CID:9803963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "GW-501516-iproniazid similarity", "source_label": "GW-501516", "target_label": "iproniazid", "cosine_similarity": 0.4397509396076202 } }, { "source": "CID:3906780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "NNC-63-0532-SA-441181 similarity", "source_label": "NNC-63-0532", "target_label": "SA-441181", "cosine_similarity": 0.2232543379068374 } }, { "source": "CID:3025986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "BMS-387032-alvocidib similarity", "source_label": "BMS-387032", "target_label": "alvocidib", "cosine_similarity": 0.8625999689102173 } }, { "source": "CID:8400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5143", "properties": { "id": "benzoin-saccharin similarity", "source_label": "benzoin", "target_label": "saccharin", "cosine_similarity": 0.2731096446514129 } }, { "source": "CID:26533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483336", "properties": { "id": "tiletamine-fluticasone similarity", "source_label": "tiletamine", "target_label": "fluticasone", "cosine_similarity": 0.2028966695070266 } }, { "source": "CID:5455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "thiram-celastrol similarity", "source_label": "thiram", "target_label": "celastrol", "cosine_similarity": 0.4528678357601166 } }, { "source": "CID:515328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "fdcyd-gemcitabine similarity", "source_label": "fdcyd", "target_label": "gemcitabine", "cosine_similarity": 0.7313578724861145 } }, { "source": "CID:3906894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "WAY-161503-prostaglandin-a1 similarity", "source_label": "WAY-161503", "target_label": "prostaglandin-a1", "cosine_similarity": 0.2587508857250213 } }, { "source": "CID:3053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707462", "properties": { "id": "pentetic-acid-alfadolone similarity", "source_label": "pentetic-acid", "target_label": "alfadolone", "cosine_similarity": 0.2734108567237854 } }, { "source": "CID:77991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "rivastigmine-saxagliptin similarity", "source_label": "rivastigmine", "target_label": "saxagliptin", "cosine_similarity": 0.3790489435195923 } }, { "source": "CID:128853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23633604", "properties": { "id": "delphinidin-LX-1031 similarity", "source_label": "delphinidin", "target_label": "LX-1031", "cosine_similarity": 0.1238632053136825 } }, { "source": "CID:4369524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "tanaproget-RAF-265 similarity", "source_label": "tanaproget", "target_label": "RAF-265", "cosine_similarity": 0.4143010675907135 } }, { "source": "CID:3542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "H-7-rucaparib similarity", "source_label": "H-7", "target_label": "rucaparib", "cosine_similarity": 0.3640527129173279 } }, { "source": "CID:23036271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "VU-0413255-1-masitinib similarity", "source_label": "VU-0413255-1", "target_label": "masitinib", "cosine_similarity": 0.2033784687519073 } }, { "source": "CID:775191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "DAC-012-DAC-013 similarity", "source_label": "DAC-012", "target_label": "DAC-013", "cosine_similarity": 0.5501575469970703 } }, { "source": "CID:44483234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "terreic-acid-cerulenin similarity", "source_label": "terreic-acid", "target_label": "cerulenin", "cosine_similarity": 0.6704652309417725 } }, { "source": "CID:9953599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "GR-159897-RS-39604 similarity", "source_label": "GR-159897", "target_label": "RS-39604", "cosine_similarity": 0.3255647718906402 } }, { "source": "CID:4906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107896", "properties": { "id": "prilocaine-gabazine similarity", "source_label": "prilocaine", "target_label": "gabazine", "cosine_similarity": 0.2489748001098632 } }, { "source": "CID:213046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "lurasidone-apocynin similarity", "source_label": "lurasidone", "target_label": "apocynin", "cosine_similarity": 0.4426985085010528 } }, { "source": "CID:9915743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "neratinib-afatinib similarity", "source_label": "neratinib", "target_label": "afatinib", "cosine_similarity": 0.7277534604072571 } }, { "source": "CID:2809486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "S-206352-fumonisin-b1 similarity", "source_label": "S-206352", "target_label": "fumonisin-b1", "cosine_similarity": 0.2722007930278778 } }, { "source": "CID:57340671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "JWE-035-I-BET-762 similarity", "source_label": "JWE-035", "target_label": "I-BET-762", "cosine_similarity": 0.6051221489906311 } }, { "source": "CID:3936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "liranaftate-rotundine similarity", "source_label": "liranaftate", "target_label": "rotundine", "cosine_similarity": 0.5685703754425049 } }, { "source": "CID:19667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707499", "properties": { "id": "bephenium-paromomycin similarity", "source_label": "bephenium", "target_label": "paromomycin", "cosine_similarity": 0.2171421945095062 } }, { "source": "CID:9966051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "vortioxetine-fluvoxamine similarity", "source_label": "vortioxetine", "target_label": "fluvoxamine", "cosine_similarity": 0.601546049118042 } }, { "source": "CID:2782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "clemizole-castanospermine similarity", "source_label": "clemizole", "target_label": "castanospermine", "cosine_similarity": 0.3059753775596618 } }, { "source": "CID:5218788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "SIB-1757-fatostatin similarity", "source_label": "SIB-1757", "target_label": "fatostatin", "cosine_similarity": 0.2993589639663696 } }, { "source": "CID:896331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "ARG-CSC-22-gliclazide similarity", "source_label": "ARG-CSC-22", "target_label": "gliclazide", "cosine_similarity": 0.3224424719810486 } }, { "source": "CID:5312145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "Ro-04-6790-NU-1025 similarity", "source_label": "Ro-04-6790", "target_label": "NU-1025", "cosine_similarity": 0.309742271900177 } }, { "source": "CID:24733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "alfadolone-acetate-prostaglandin-a1 similarity", "source_label": "alfadolone-acetate", "target_label": "prostaglandin-a1", "cosine_similarity": 0.2770524621009826 } }, { "source": "CID:44504286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658832", "properties": { "id": "SA-102042-SA-1459256 similarity", "source_label": "SA-102042", "target_label": "SA-1459256", "cosine_similarity": 0.3639956712722778 } }, { "source": "CID:2724354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "dimercaptosuccinic-acid-tetrahydrouridine similarity", "source_label": "dimercaptosuccinic-acid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3420602083206177 } }, { "source": "CID:45281794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45281797", "properties": { "id": "VU-0365114-2-VU-0365117-1 similarity", "source_label": "VU-0365114-2", "target_label": "VU-0365117-1", "cosine_similarity": 0.5938053727149963 } }, { "source": "CID:2161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "amlexanox-nicotinamide similarity", "source_label": "amlexanox", "target_label": "nicotinamide", "cosine_similarity": 0.4623273015022278 } }, { "source": "CID:73707461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281040", "properties": { "id": "flucloxacillin-montelukast similarity", "source_label": "flucloxacillin", "target_label": "montelukast", "cosine_similarity": 0.2705522775650024 } }, { "source": "CID:133008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "L-741742-hydrocortisone-acetate similarity", "source_label": "L-741742", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3750757277011871 } }, { "source": "CID:54585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216305", "properties": { "id": "balsalazide-alagebrium similarity", "source_label": "balsalazide", "target_label": "alagebrium", "cosine_similarity": 0.4047815501689911 } }, { "source": "CID:262093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "NSC-95397-NSC-632839 similarity", "source_label": "NSC-95397", "target_label": "NSC-632839", "cosine_similarity": 0.7386525273323059 } }, { "source": "CID:69550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32170", "properties": { "id": "acefylline-articaine similarity", "source_label": "acefylline", "target_label": "articaine", "cosine_similarity": 0.2173240333795547 } }, { "source": "CID:44616738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680398", "properties": { "id": "SA-427228-MW-SHH-97 similarity", "source_label": "SA-427228", "target_label": "MW-SHH-97", "cosine_similarity": 0.3009864389896393 } }, { "source": "CID:54688261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "warfarin-saxagliptin similarity", "source_label": "warfarin", "target_label": "saxagliptin", "cosine_similarity": 0.3986688554286957 } }, { "source": "CID:453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "mannitol-valproic-acid similarity", "source_label": "mannitol", "target_label": "valproic-acid", "cosine_similarity": 0.3184433579444885 } }, { "source": "CID:439503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "salicin-BMS-641988 similarity", "source_label": "salicin", "target_label": "BMS-641988", "cosine_similarity": 0.3048449754714966 } }, { "source": "CID:44602404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6572379", "properties": { "id": "KU-C104133-PSH-013 similarity", "source_label": "KU-C104133", "target_label": "PSH-013", "cosine_similarity": 0.2435341477394104 } }, { "source": "CID:21785456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "KU-C103869-epicatechin similarity", "source_label": "KU-C103869", "target_label": "epicatechin", "cosine_similarity": 0.3722521364688873 } }, { "source": "CID:656732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "XE-991-NNC-711 similarity", "source_label": "XE-991", "target_label": "NNC-711", "cosine_similarity": 0.2538855969905853 } }, { "source": "CID:54657705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660156", "properties": { "id": "SA-1459172-SA-1459854 similarity", "source_label": "SA-1459172", "target_label": "SA-1459854", "cosine_similarity": 0.3161573708057403 } }, { "source": "CID:13037657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052776", "properties": { "id": "anecortave-acetate-rasagiline similarity", "source_label": "anecortave-acetate", "target_label": "rasagiline", "cosine_similarity": 0.3831863105297088 } }, { "source": "CID:44602375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "KU-C104123-EMF-sumo1-11 similarity", "source_label": "KU-C104123", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.2536400556564331 } }, { "source": "CID:54660437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659373", "properties": { "id": "SA-1459714-SA-1456305 similarity", "source_label": "SA-1459714", "target_label": "SA-1456305", "cosine_similarity": 0.5047638416290283 } }, { "source": "CID:11434515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "aclidinium-diazoxide similarity", "source_label": "aclidinium", "target_label": "diazoxide", "cosine_similarity": 0.4722773432731628 } }, { "source": "CID:3926765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "amsacrine-teniposide similarity", "source_label": "amsacrine", "target_label": "teniposide", "cosine_similarity": 0.7469437122344971 } }, { "source": "CID:5472495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71748056", "properties": { "id": "exisulind-QL-XII-47 similarity", "source_label": "exisulind", "target_label": "QL-XII-47", "cosine_similarity": 0.2815586626529693 } }, { "source": "CID:4633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51755", "properties": { "id": "oxybuprocaine-fenticonazole similarity", "source_label": "oxybuprocaine", "target_label": "fenticonazole", "cosine_similarity": 0.3829739391803741 } }, { "source": "CID:1889993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "fatostatin-myriocin similarity", "source_label": "fatostatin", "target_label": "myriocin", "cosine_similarity": 0.4700787961483001 } }, { "source": "CID:2438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "BRL-54443-VER-155008 similarity", "source_label": "BRL-54443", "target_label": "VER-155008", "cosine_similarity": 0.2858960032463074 } }, { "source": "CID:3973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "LY-294002-PI-103 similarity", "source_label": "LY-294002", "target_label": "PI-103", "cosine_similarity": 0.6774734854698181 } }, { "source": "CID:197690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "SB-205384-mannitol similarity", "source_label": "SB-205384", "target_label": "mannitol", "cosine_similarity": 0.2216809391975402 } }, { "source": "CID:11338033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "AT-7519-BMS-387032 similarity", "source_label": "AT-7519", "target_label": "BMS-387032", "cosine_similarity": 0.6768212914466858 } }, { "source": "CID:1986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "acetazolamide-CV-1808 similarity", "source_label": "acetazolamide", "target_label": "CV-1808", "cosine_similarity": 0.4196831881999969 } }, { "source": "CID:9889366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4976", "properties": { "id": "mibampator-protriptyline similarity", "source_label": "mibampator", "target_label": "protriptyline", "cosine_similarity": 0.3990466296672821 } }, { "source": "CID:1176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "urea-actarit similarity", "source_label": "urea", "target_label": "actarit", "cosine_similarity": 0.4523428678512573 } }, { "source": "CID:46244454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "AZ-20-MLN-0128 similarity", "source_label": "AZ-20", "target_label": "MLN-0128", "cosine_similarity": 0.6263881921768188 } }, { "source": "CID:9847023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "prednisolone-hemisuccinate-MK-212 similarity", "source_label": "prednisolone-hemisuccinate", "target_label": "MK-212", "cosine_similarity": 0.3603574335575104 } }, { "source": "CID:128268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "FPL-62064-actarit similarity", "source_label": "FPL-62064", "target_label": "actarit", "cosine_similarity": 0.4623595178127289 } }, { "source": "CID:11539025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "LY-2228820-flecainide similarity", "source_label": "LY-2228820", "target_label": "flecainide", "cosine_similarity": 0.3605762124061584 } }, { "source": "CID:46695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445621", "properties": { "id": "salsoline-glucosamine similarity", "source_label": "salsoline", "target_label": "glucosamine", "cosine_similarity": 0.2832805812358856 } }, { "source": "CID:24880028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "ALW-II-38-3-AZD-5363 similarity", "source_label": "ALW-II-38-3", "target_label": "AZD-5363", "cosine_similarity": 0.4392822682857513 } }, { "source": "CID:483407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "maraviroc-bupropion similarity", "source_label": "maraviroc", "target_label": "bupropion", "cosine_similarity": 0.4205253720283508 } }, { "source": "CID:65399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "triciribine-I-606051 similarity", "source_label": "triciribine", "target_label": "I-606051", "cosine_similarity": 0.4422343373298645 } }, { "source": "CID:656615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "potassium-canrenoate-gimeracil similarity", "source_label": "potassium-canrenoate", "target_label": "gimeracil", "cosine_similarity": 0.3283337950706482 } }, { "source": "CID:44828477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "KUC104542N-KIN001-242 similarity", "source_label": "KUC104542N", "target_label": "KIN001-242", "cosine_similarity": 0.2725643217563629 } }, { "source": "CID:44247542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64981", "properties": { "id": "VU-0402604-arctigenin similarity", "source_label": "VU-0402604", "target_label": "arctigenin", "cosine_similarity": 0.2973406612873077 } }, { "source": "CID:54654613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1463838-SA-84905 similarity", "source_label": "SA-1463838", "target_label": "SA-84905", "cosine_similarity": 0.3434877097606659 } }, { "source": "CID:9882625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2063", "properties": { "id": "PSB-11-tyrphostin-1 similarity", "source_label": "PSB-11", "target_label": "tyrphostin-1", "cosine_similarity": 0.2496757507324218 } }, { "source": "CID:135413511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "tirapazamine-flavoxate similarity", "source_label": "tirapazamine", "target_label": "flavoxate", "cosine_similarity": 0.2562445700168609 } }, { "source": "CID:54666591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1922932-SA-1459714 similarity", "source_label": "SA-1922932", "target_label": "SA-1459714", "cosine_similarity": 0.2486269176006317 } }, { "source": "CID:992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "pentachlorophenol-I-606051 similarity", "source_label": "pentachlorophenol", "target_label": "I-606051", "cosine_similarity": 0.2682592570781708 } }, { "source": "CID:72376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "narciclasine-anisomycin similarity", "source_label": "narciclasine", "target_label": "anisomycin", "cosine_similarity": 0.8601532578468323 } }, { "source": "CID:9926999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54680692", "properties": { "id": "LY-456236-phenprocoumon similarity", "source_label": "LY-456236", "target_label": "phenprocoumon", "cosine_similarity": 0.2224407196044922 } }, { "source": "CID:73707550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707544", "properties": { "id": "BG-1026-BG-1027 similarity", "source_label": "BG-1026", "target_label": "BG-1027", "cosine_similarity": 0.5083329081535339 } }, { "source": "CID:60877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "emtricitabine-resatorvid similarity", "source_label": "emtricitabine", "target_label": "resatorvid", "cosine_similarity": 0.5065525770187378 } }, { "source": "CID:444795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "tretinoin-AM-580 similarity", "source_label": "tretinoin", "target_label": "AM-580", "cosine_similarity": 0.5375725030899048 } }, { "source": "CID:2809486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60860", "properties": { "id": "S-206352-iobenguane similarity", "source_label": "S-206352", "target_label": "iobenguane", "cosine_similarity": 0.2858460545539856 } }, { "source": "CID:5488645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3077", "properties": { "id": "latamoxef-dimaprit similarity", "source_label": "latamoxef", "target_label": "dimaprit", "cosine_similarity": 0.2200429737567901 } }, { "source": "CID:71777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "lufenuron-pridinol similarity", "source_label": "lufenuron", "target_label": "pridinol", "cosine_similarity": 0.4615422189235687 } }, { "source": "CID:57363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623946", "properties": { "id": "finasteride-N-6022 similarity", "source_label": "finasteride", "target_label": "N-6022", "cosine_similarity": 0.559285581111908 } }, { "source": "CID:11754511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109823", "properties": { "id": "BX-912-AS-601245 similarity", "source_label": "BX-912", "target_label": "AS-601245", "cosine_similarity": 0.3814413249492645 } }, { "source": "CID:21071390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "idalopirdine-loperamide similarity", "source_label": "idalopirdine", "target_label": "loperamide", "cosine_similarity": 0.2727270722389221 } }, { "source": "CID:400169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "SC-144-VU-0418933-1 similarity", "source_label": "SC-144", "target_label": "VU-0418933-1", "cosine_similarity": 0.7112674117088318 } }, { "source": "CID:11207937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "TMPH-thiazolopyrimidine similarity", "source_label": "TMPH", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3298013806343078 } }, { "source": "CID:3938007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5042", "properties": { "id": "ZD-7288-rebamipide similarity", "source_label": "ZD-7288", "target_label": "rebamipide", "cosine_similarity": 0.4692842066287994 } }, { "source": "CID:133106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SIB-1508Y-gliclazide similarity", "source_label": "SIB-1508Y", "target_label": "gliclazide", "cosine_similarity": 0.2661249041557312 } }, { "source": "CID:44491516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29327", "properties": { "id": "SA-432137-streptozotocin similarity", "source_label": "SA-432137", "target_label": "streptozotocin", "cosine_similarity": 0.2344014644622802 } }, { "source": "CID:5566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "trifluoperazine-sertraline similarity", "source_label": "trifluoperazine", "target_label": "sertraline", "cosine_similarity": 0.7329805493354797 } }, { "source": "CID:5154691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "NM-PP1-tetrahydrouridine similarity", "source_label": "NM-PP1", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4460600614547729 } }, { "source": "CID:5251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "sorbic-acid-gliclazide similarity", "source_label": "sorbic-acid", "target_label": "gliclazide", "cosine_similarity": 0.358867883682251 } }, { "source": "CID:842059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "BG-1023-1-benzylimidazole similarity", "source_label": "BG-1023", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2727757096290588 } }, { "source": "CID:3408722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "nafadotride-RK-682 similarity", "source_label": "nafadotride", "target_label": "RK-682", "cosine_similarity": 0.2727441191673279 } }, { "source": "CID:44473128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "KU-C103672-ML-161 similarity", "source_label": "KU-C103672", "target_label": "ML-161", "cosine_similarity": 0.3016836643218994 } }, { "source": "CID:459617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088438", "properties": { "id": "IOX-1-ML-130 similarity", "source_label": "IOX-1", "target_label": "ML-130", "cosine_similarity": 0.2487023025751114 } }, { "source": "CID:6604893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "DFB-apocynin similarity", "source_label": "DFB", "target_label": "apocynin", "cosine_similarity": 0.2476306110620498 } }, { "source": "CID:5104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497312", "properties": { "id": "roxarsone-SD-6-035-B3 similarity", "source_label": "roxarsone", "target_label": "SD-6-035-B3", "cosine_similarity": 0.1813100129365921 } }, { "source": "CID:656765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644241", "properties": { "id": "DCEBIO-nilotinib similarity", "source_label": "DCEBIO", "target_label": "nilotinib", "cosine_similarity": 0.2446286976337433 } }, { "source": "CID:24747189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "JAS07-004-AT-CSC-18 similarity", "source_label": "JAS07-004", "target_label": "AT-CSC-18", "cosine_similarity": 0.235409528017044 } }, { "source": "CID:5702095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "noretynodrel-SA-1937536 similarity", "source_label": "noretynodrel", "target_label": "SA-1937536", "cosine_similarity": 0.2331395149230957 } }, { "source": "CID:44630541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:686211", "properties": { "id": "KU-C104253-KU-C104126N similarity", "source_label": "KU-C104253", "target_label": "KU-C104126N", "cosine_similarity": 0.2324587404727935 } }, { "source": "CID:17756791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "Ro-08-2750-RJC-00245SC similarity", "source_label": "Ro-08-2750", "target_label": "RJC-00245SC", "cosine_similarity": 0.240147516131401 } }, { "source": "CID:9862248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "sobetirome-D-serine similarity", "source_label": "sobetirome", "target_label": "D-serine", "cosine_similarity": 0.289795458316803 } }, { "source": "CID:135400439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288600", "properties": { "id": "KF-38789-IC-261 similarity", "source_label": "KF-38789", "target_label": "IC-261", "cosine_similarity": 0.5911394357681274 } }, { "source": "CID:60186845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-1938757-SA-1939126 similarity", "source_label": "SA-1938757", "target_label": "SA-1939126", "cosine_similarity": 0.326512336730957 } }, { "source": "CID:16362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "pimozide-trifluoperazine similarity", "source_label": "pimozide", "target_label": "trifluoperazine", "cosine_similarity": 0.4780688285827636 } }, { "source": "CID:5095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "ropinirole-nevirapine similarity", "source_label": "ropinirole", "target_label": "nevirapine", "cosine_similarity": 0.4327561259269714 } }, { "source": "CID:44139710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15983966", "properties": { "id": "KIN-001-220-GSK-461364 similarity", "source_label": "KIN-001-220", "target_label": "GSK-461364", "cosine_similarity": 0.3315514028072357 } }, { "source": "CID:168613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549000", "properties": { "id": "timolol-levocetirizine similarity", "source_label": "timolol", "target_label": "levocetirizine", "cosine_similarity": 0.3243587613105774 } }, { "source": "CID:3820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "kenpaullone-BML-259 similarity", "source_label": "kenpaullone", "target_label": "BML-259", "cosine_similarity": 0.6691490411758423 } }, { "source": "CID:60648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "tiagabine-gimeracil similarity", "source_label": "tiagabine", "target_label": "gimeracil", "cosine_similarity": 0.3775015473365783 } }, { "source": "CID:5280704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "cosmosiin-BMS-191011 similarity", "source_label": "cosmosiin", "target_label": "BMS-191011", "cosine_similarity": 0.3223609030246734 } }, { "source": "CID:54682040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9875401", "properties": { "id": "BMS-707035-rivaroxaban similarity", "source_label": "BMS-707035", "target_label": "rivaroxaban", "cosine_similarity": 0.4406945407390594 } }, { "source": "CID:3016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "diazepam-GSK-J1 similarity", "source_label": "diazepam", "target_label": "GSK-J1", "cosine_similarity": 0.2909713387489319 } }, { "source": "CID:3947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "lofepramine-NNC-55-0396 similarity", "source_label": "lofepramine", "target_label": "NNC-55-0396", "cosine_similarity": 0.2969703674316406 } }, { "source": "CID:32798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "clobetasol-rimexolone similarity", "source_label": "clobetasol", "target_label": "rimexolone", "cosine_similarity": 0.7399780750274658 } }, { "source": "CID:6708573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "oleanolic-acid-MK-212 similarity", "source_label": "oleanolic-acid", "target_label": "MK-212", "cosine_similarity": 0.2204532027244568 } }, { "source": "CID:8480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1054", "properties": { "id": "carbarsone-pyridoxine similarity", "source_label": "carbarsone", "target_label": "pyridoxine", "cosine_similarity": 0.2518594861030578 } }, { "source": "CID:65028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3278", "properties": { "id": "oseltamivir-phosphate-etacrynic-acid similarity", "source_label": "oseltamivir-phosphate", "target_label": "etacrynic-acid", "cosine_similarity": 0.147741436958313 } }, { "source": "CID:44487334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-89705-SA-101686 similarity", "source_label": "SA-89705", "target_label": "SA-101686", "cosine_similarity": 0.3018268048763275 } }, { "source": "CID:67278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "phenoxazine-alda-1 similarity", "source_label": "phenoxazine", "target_label": "alda-1", "cosine_similarity": 0.4285020530223846 } }, { "source": "CID:5035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "raloxifene-atorvastatin similarity", "source_label": "raloxifene", "target_label": "atorvastatin", "cosine_similarity": 0.6568001508712769 } }, { "source": "CID:49836020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46940575", "properties": { "id": "birinapant-GDC-0152 similarity", "source_label": "birinapant", "target_label": "GDC-0152", "cosine_similarity": 0.5786749124526978 } }, { "source": "CID:9867770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11167602", "properties": { "id": "JTE-907-regorafenib similarity", "source_label": "JTE-907", "target_label": "regorafenib", "cosine_similarity": 0.2557314336299896 } }, { "source": "CID:494471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124846", "properties": { "id": "methyllycaconitine-HTMT similarity", "source_label": "methyllycaconitine", "target_label": "HTMT", "cosine_similarity": 0.2544094026088714 } }, { "source": "CID:5498067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:114924", "properties": { "id": "esculin-tetradecylthioacetic-acid similarity", "source_label": "esculin", "target_label": "tetradecylthioacetic-acid", "cosine_similarity": 0.2882804870605469 } }, { "source": "CID:6918140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "MRE-269-PP-2 similarity", "source_label": "MRE-269", "target_label": "PP-2", "cosine_similarity": 0.2608021199703216 } }, { "source": "CID:6077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "acepromazine-CV-1808 similarity", "source_label": "acepromazine", "target_label": "CV-1808", "cosine_similarity": 0.2543828785419464 } }, { "source": "CID:9953769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "RS-504393-STA-5326 similarity", "source_label": "RS-504393", "target_label": "STA-5326", "cosine_similarity": 0.5059085488319397 } }, { "source": "CID:6915744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2794", "properties": { "id": "roxithromycin-clofazimine similarity", "source_label": "roxithromycin", "target_label": "clofazimine", "cosine_similarity": 0.360886663198471 } }, { "source": "CID:6473866", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "tacrolimus-niguldipine similarity", "source_label": "tacrolimus", "target_label": "niguldipine", "cosine_similarity": 0.4340810477733612 } }, { "source": "CID:5487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "tizanidine-sulpiride similarity", "source_label": "tizanidine", "target_label": "sulpiride", "cosine_similarity": 0.3455435931682586 } }, { "source": "CID:208953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "ZK-200775-ibutamoren similarity", "source_label": "ZK-200775", "target_label": "ibutamoren", "cosine_similarity": 0.318382054567337 } }, { "source": "CID:68077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "tangeritin-DAC-009 similarity", "source_label": "tangeritin", "target_label": "DAC-009", "cosine_similarity": 0.2438475489616394 } }, { "source": "CID:5281643", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2176", "properties": { "id": "hyperoside-ampiroxicam similarity", "source_label": "hyperoside", "target_label": "ampiroxicam", "cosine_similarity": 0.1576909124851226 } }, { "source": "CID:755673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "MW-STK33-4C-gossypin similarity", "source_label": "MW-STK33-4C", "target_label": "gossypin", "cosine_similarity": 0.4591597318649292 } }, { "source": "CID:6000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2630179", "properties": { "id": "tubocurarine-EMF-sumo1-12 similarity", "source_label": "tubocurarine", "target_label": "EMF-sumo1-12", "cosine_similarity": 0.3375982642173767 } }, { "source": "CID:441243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649154", "properties": { "id": "saquinavir-tegobuvir similarity", "source_label": "saquinavir", "target_label": "tegobuvir", "cosine_similarity": 0.3104155659675598 } }, { "source": "CID:6708778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135411", "properties": { "id": "teniposide-CD-437 similarity", "source_label": "teniposide", "target_label": "CD-437", "cosine_similarity": 0.8119697570800781 } }, { "source": "CID:457964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "aphidicolin-gemcitabine similarity", "source_label": "aphidicolin", "target_label": "gemcitabine", "cosine_similarity": 0.5842375159263611 } }, { "source": "CID:51348735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "hyperforin-cyclosporin-a similarity", "source_label": "hyperforin", "target_label": "cyclosporin-a", "cosine_similarity": 0.5732284188270569 } }, { "source": "CID:2763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "ciprofibrate-levopropoxyphene similarity", "source_label": "ciprofibrate", "target_label": "levopropoxyphene", "cosine_similarity": 0.2242156714200973 } }, { "source": "CID:3672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "ibuprofen-emedastine similarity", "source_label": "ibuprofen", "target_label": "emedastine", "cosine_similarity": 0.3967639505863189 } }, { "source": "CID:47641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "naftifine-CGS-20625 similarity", "source_label": "naftifine", "target_label": "CGS-20625", "cosine_similarity": 0.435567557811737 } }, { "source": "CID:4171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "metoprolol-neostigmine similarity", "source_label": "metoprolol", "target_label": "neostigmine", "cosine_similarity": 0.4413650035858154 } }, { "source": "CID:72390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46903876", "properties": { "id": "thiazolidinecarboxylic-acid-SD-6-035-A12 similarity", "source_label": "thiazolidinecarboxylic-acid", "target_label": "SD-6-035-A12", "cosine_similarity": 0.2392167150974273 } }, { "source": "CID:24989044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59174488", "properties": { "id": "copanlisib-AVL-292 similarity", "source_label": "copanlisib", "target_label": "AVL-292", "cosine_similarity": 0.3000970780849457 } }, { "source": "CID:4030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "mebendazole-NMS-1286937 similarity", "source_label": "mebendazole", "target_label": "NMS-1286937", "cosine_similarity": 0.724761426448822 } }, { "source": "CID:6605258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "CGK-733-I-070759 similarity", "source_label": "CGK-733", "target_label": "I-070759", "cosine_similarity": 0.5697568655014038 } }, { "source": "CID:5353454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607360", "properties": { "id": "BW-B70C-WZ-3146 similarity", "source_label": "BW-B70C", "target_label": "WZ-3146", "cosine_similarity": 0.2587483525276184 } }, { "source": "CID:11712649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "MLN-8054-NMS-1286937 similarity", "source_label": "MLN-8054", "target_label": "NMS-1286937", "cosine_similarity": 0.5518474578857422 } }, { "source": "CID:107970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "fingolimod-vandetanib similarity", "source_label": "fingolimod", "target_label": "vandetanib", "cosine_similarity": 0.3096354901790619 } }, { "source": "CID:127861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "BMY-45778-K784-3187 similarity", "source_label": "BMY-45778", "target_label": "K784-3187", "cosine_similarity": 0.4904303252696991 } }, { "source": "CID:53321987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "bafilomycin-STA-5326 similarity", "source_label": "bafilomycin", "target_label": "STA-5326", "cosine_similarity": 0.4270640909671783 } }, { "source": "CID:1042895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "felamidin-dexloxiglumide similarity", "source_label": "felamidin", "target_label": "dexloxiglumide", "cosine_similarity": 0.452929139137268 } }, { "source": "CID:44721090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2817242", "properties": { "id": "methoxypyruvic-acid-BML-266 similarity", "source_label": "methoxypyruvic-acid", "target_label": "BML-266", "cosine_similarity": 0.2203506678342819 } }, { "source": "CID:2603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "CCCP-FCCP similarity", "source_label": "CCCP", "target_label": "FCCP", "cosine_similarity": 0.5484497547149658 } }, { "source": "CID:5081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "Ro-15-4513-ASN-05257430 similarity", "source_label": "Ro-15-4513", "target_label": "ASN-05257430", "cosine_similarity": 0.3135788142681122 } }, { "source": "CID:12555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25171648", "properties": { "id": "benzydamine-EMD-1214063 similarity", "source_label": "benzydamine", "target_label": "EMD-1214063", "cosine_similarity": 0.3038868308067322 } }, { "source": "CID:9924495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "perampanel-ixazomib similarity", "source_label": "perampanel", "target_label": "ixazomib", "cosine_similarity": 0.4742714464664459 } }, { "source": "CID:24768935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "BMS-641988-AR-C133057XX similarity", "source_label": "BMS-641988", "target_label": "AR-C133057XX", "cosine_similarity": 0.6024804711341858 } }, { "source": "CID:4306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:193949", "properties": { "id": "W-9-SDZ-21009 similarity", "source_label": "W-9", "target_label": "SDZ-21009", "cosine_similarity": 0.253714770078659 } }, { "source": "CID:101533602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9458", "properties": { "id": "merbromin-triflusal similarity", "source_label": "merbromin", "target_label": "triflusal", "cosine_similarity": 0.1557526439428329 } }, { "source": "CID:442195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91930061", "properties": { "id": "cephaeline-bruceantin similarity", "source_label": "cephaeline", "target_label": "bruceantin", "cosine_similarity": 0.8251636624336243 } }, { "source": "CID:5469318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "salirasib-conivaptan similarity", "source_label": "salirasib", "target_label": "conivaptan", "cosine_similarity": 0.3670182228088379 } }, { "source": "CID:5337997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "nifuroxazide-GR-127935 similarity", "source_label": "nifuroxazide", "target_label": "GR-127935", "cosine_similarity": 0.3336772322654724 } }, { "source": "CID:5280483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "phylloquinone-alfuzosin similarity", "source_label": "phylloquinone", "target_label": "alfuzosin", "cosine_similarity": 0.2680767178535461 } }, { "source": "CID:65351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "pyrrolidine-dithiocarbamate-NSC-3852 similarity", "source_label": "pyrrolidine-dithiocarbamate", "target_label": "NSC-3852", "cosine_similarity": 0.6118995547294617 } }, { "source": "CID:64139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918184", "properties": { "id": "efavirenz-Y-27152 similarity", "source_label": "efavirenz", "target_label": "Y-27152", "cosine_similarity": 0.4189878106117248 } }, { "source": "CID:71317558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "niguldipine-GR-127935 similarity", "source_label": "niguldipine", "target_label": "GR-127935", "cosine_similarity": 0.5710725784301758 } }, { "source": "CID:40854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "oxfendazole-levocabastine similarity", "source_label": "oxfendazole", "target_label": "levocabastine", "cosine_similarity": 0.3600779771804809 } }, { "source": "CID:3994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "M-344-Fluoro-SAHA similarity", "source_label": "M-344", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.5829402804374695 } }, { "source": "CID:16667705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "exemestane-primaquine similarity", "source_label": "exemestane", "target_label": "primaquine", "cosine_similarity": 0.4547555148601532 } }, { "source": "CID:9931954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "rucaparib-roscovitine similarity", "source_label": "rucaparib", "target_label": "roscovitine", "cosine_similarity": 0.62125563621521 } }, { "source": "CID:2788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4946", "properties": { "id": "clioquinol-propranolol similarity", "source_label": "clioquinol", "target_label": "propranolol", "cosine_similarity": 0.3219382762908935 } }, { "source": "CID:12791166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62872", "properties": { "id": "ketocholesterol-aminobenztropine similarity", "source_label": "ketocholesterol", "target_label": "aminobenztropine", "cosine_similarity": 0.220542311668396 } }, { "source": "CID:5282060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "heliomycin-CGP-71683 similarity", "source_label": "heliomycin", "target_label": "CGP-71683", "cosine_similarity": 0.7377991080284119 } }, { "source": "CID:5281542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "harpagoside-pemoline similarity", "source_label": "harpagoside", "target_label": "pemoline", "cosine_similarity": 0.2497512996196746 } }, { "source": "CID:72943187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "bromosporine-I-BET-151 similarity", "source_label": "bromosporine", "target_label": "I-BET-151", "cosine_similarity": 0.8112404942512512 } }, { "source": "CID:41049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "meptazinol-labetalol similarity", "source_label": "meptazinol", "target_label": "labetalol", "cosine_similarity": 0.3471557199954986 } }, { "source": "CID:44473132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "KU-C103676-HO-013 similarity", "source_label": "KU-C103676", "target_label": "HO-013", "cosine_similarity": 0.2605469226837158 } }, { "source": "CID:5712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "YC-1-topotecan similarity", "source_label": "YC-1", "target_label": "topotecan", "cosine_similarity": 0.4008158445358276 } }, { "source": "CID:46926350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "dinaciclib-BMS-387032 similarity", "source_label": "dinaciclib", "target_label": "BMS-387032", "cosine_similarity": 0.7717819213867188 } }, { "source": "CID:604519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ipidacrine-anandamide similarity", "source_label": "ipidacrine", "target_label": "anandamide", "cosine_similarity": 0.1882207095623016 } }, { "source": "CID:3101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771867", "properties": { "id": "diphenyleneiodonium-alisertib similarity", "source_label": "diphenyleneiodonium", "target_label": "alisertib", "cosine_similarity": 0.2990088164806366 } }, { "source": "CID:54688261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "warfarin-neostigmine similarity", "source_label": "warfarin", "target_label": "neostigmine", "cosine_similarity": 0.4241379797458648 } }, { "source": "CID:9795867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "LFM-A12-guanabenz similarity", "source_label": "LFM-A12", "target_label": "guanabenz", "cosine_similarity": 0.3124710023403168 } }, { "source": "CID:9926048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "DMAB-anabaseine-CAM-9-021 similarity", "source_label": "DMAB-anabaseine", "target_label": "CAM-9-021", "cosine_similarity": 0.2345760613679886 } }, { "source": "CID:443375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "devazepide-z-leu3-VS similarity", "source_label": "devazepide", "target_label": "z-leu3-VS", "cosine_similarity": 0.5473688840866089 } }, { "source": "CID:10173277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "STA-5326-BIBU-1361 similarity", "source_label": "STA-5326", "target_label": "BIBU-1361", "cosine_similarity": 0.6806147694587708 } }, { "source": "CID:64945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "ursolic-acid-iguratimod similarity", "source_label": "ursolic-acid", "target_label": "iguratimod", "cosine_similarity": 0.3784422278404236 } }, { "source": "CID:2264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "azasetron-fluoropyruvate similarity", "source_label": "azasetron", "target_label": "fluoropyruvate", "cosine_similarity": 0.3171272873878479 } }, { "source": "CID:65944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "pidotimod-flavoxate similarity", "source_label": "pidotimod", "target_label": "flavoxate", "cosine_similarity": 0.3911325633525848 } }, { "source": "CID:4935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "proxymetacaine-FTI-276 similarity", "source_label": "proxymetacaine", "target_label": "FTI-276", "cosine_similarity": 0.3341416716575622 } }, { "source": "CID:11524144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3000022", "properties": { "id": "dorsomorphin-MW-STK33-23 similarity", "source_label": "dorsomorphin", "target_label": "MW-STK33-23", "cosine_similarity": 0.5856402516365051 } }, { "source": "CID:54660194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484010", "properties": { "id": "SA-1458902-SA-85764 similarity", "source_label": "SA-1458902", "target_label": "SA-85764", "cosine_similarity": 0.2986770868301391 } }, { "source": "CID:831629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "alda-1-myriocin similarity", "source_label": "alda-1", "target_label": "myriocin", "cosine_similarity": 0.52413409948349 } }, { "source": "CID:44602376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593869", "properties": { "id": "KU-C104127-KU-C103884 similarity", "source_label": "KU-C104127", "target_label": "KU-C103884", "cosine_similarity": 0.2166307419538498 } }, { "source": "CID:9592990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "BAS-00535043-sertraline similarity", "source_label": "BAS-00535043", "target_label": "sertraline", "cosine_similarity": 0.5934982895851135 } }, { "source": "CID:5310968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23777784", "properties": { "id": "SIB-1553A-UGISS-186 similarity", "source_label": "SIB-1553A", "target_label": "UGISS-186", "cosine_similarity": 0.1940770000219345 } }, { "source": "CID:5702265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "colforsin-parecoxib similarity", "source_label": "colforsin", "target_label": "parecoxib", "cosine_similarity": 0.2878663539886474 } }, { "source": "CID:2022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "acyclovir-dapivirine similarity", "source_label": "acyclovir", "target_label": "dapivirine", "cosine_similarity": 0.3834741711616516 } }, { "source": "CID:45115620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607977", "properties": { "id": "VU-0413807-2-KU-C104145 similarity", "source_label": "VU-0413807-2", "target_label": "KU-C104145", "cosine_similarity": 0.2181598544120788 } }, { "source": "CID:4201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "minoxidil-FTI-276 similarity", "source_label": "minoxidil", "target_label": "FTI-276", "cosine_similarity": 0.4684866964817047 } }, { "source": "CID:4259181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11210285", "properties": { "id": "SCH-79797-BML-284 similarity", "source_label": "SCH-79797", "target_label": "BML-284", "cosine_similarity": 0.5714103579521179 } }, { "source": "CID:5281901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "oligomycin-c-rhodomyrtoxin-b similarity", "source_label": "oligomycin-c", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.4879604279994964 } }, { "source": "CID:3646984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "F-1061-0166-phenethyl-isothiocyanate similarity", "source_label": "F-1061-0166", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.5125470161437988 } }, { "source": "CID:2780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "clebopride-FTI-276 similarity", "source_label": "clebopride", "target_label": "FTI-276", "cosine_similarity": 0.2825634777545929 } }, { "source": "CID:4018512", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "2-phenylmelatonin-dipyrocetyl similarity", "source_label": "2-phenylmelatonin", "target_label": "dipyrocetyl", "cosine_similarity": 0.5407534837722778 } }, { "source": "CID:9419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "dibenzepin-lenalidomide similarity", "source_label": "dibenzepin", "target_label": "lenalidomide", "cosine_similarity": 0.2401162087917328 } }, { "source": "CID:62824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "ICI-63197-myricetin similarity", "source_label": "ICI-63197", "target_label": "myricetin", "cosine_similarity": 0.3623559474945068 } }, { "source": "CID:5210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "sibutramine-XAV-939 similarity", "source_label": "sibutramine", "target_label": "XAV-939", "cosine_similarity": 0.33999964594841 } }, { "source": "CID:155774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "xamoterol-PD-98059 similarity", "source_label": "xamoterol", "target_label": "PD-98059", "cosine_similarity": 0.2105538696050644 } }, { "source": "CID:4298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23986045", "properties": { "id": "W-12-karakoline similarity", "source_label": "W-12", "target_label": "karakoline", "cosine_similarity": 0.2543302476406097 } }, { "source": "CID:54367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "altanserin-picolinic-acid similarity", "source_label": "altanserin", "target_label": "picolinic-acid", "cosine_similarity": 0.3131865859031677 } }, { "source": "CID:60192328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507299", "properties": { "id": "SA-1938756-SA-247636 similarity", "source_label": "SA-1938756", "target_label": "SA-247636", "cosine_similarity": 0.3136387467384338 } }, { "source": "CID:4423427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "ST-019366-SMER-28 similarity", "source_label": "ST-019366", "target_label": "SMER-28", "cosine_similarity": 0.224534660577774 } }, { "source": "CID:62389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707519", "properties": { "id": "6-benzylaminopurine-chlortetracycline similarity", "source_label": "6-benzylaminopurine", "target_label": "chlortetracycline", "cosine_similarity": 0.2533311545848846 } }, { "source": "CID:46191176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2482", "properties": { "id": "aminoresveratrol-butamben similarity", "source_label": "aminoresveratrol", "target_label": "butamben", "cosine_similarity": 0.2668631076812744 } }, { "source": "CID:5282459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11691726", "properties": { "id": "cinepazide-balapiravir similarity", "source_label": "cinepazide", "target_label": "balapiravir", "cosine_similarity": 0.3700986206531524 } }, { "source": "CID:10096344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9830191", "properties": { "id": "linagliptin-tipranavir similarity", "source_label": "linagliptin", "target_label": "tipranavir", "cosine_similarity": 0.3650072515010834 } }, { "source": "CID:82148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "agomelatine-FTI-276 similarity", "source_label": "agomelatine", "target_label": "FTI-276", "cosine_similarity": 0.3478268682956695 } }, { "source": "CID:3033637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "nizatidine-YK-4279 similarity", "source_label": "nizatidine", "target_label": "YK-4279", "cosine_similarity": 0.3395852148532867 } }, { "source": "CID:4133412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "DL-TBOA-GW-9662 similarity", "source_label": "DL-TBOA", "target_label": "GW-9662", "cosine_similarity": 0.5677705407142639 } }, { "source": "CID:25181195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "PI-828-sirolimus similarity", "source_label": "PI-828", "target_label": "sirolimus", "cosine_similarity": 0.6190736293792725 } }, { "source": "CID:515328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "fdcyd-cladribine similarity", "source_label": "fdcyd", "target_label": "cladribine", "cosine_similarity": 0.6452518105506897 } }, { "source": "CID:11434515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "aclidinium-CGS-20625 similarity", "source_label": "aclidinium", "target_label": "CGS-20625", "cosine_similarity": 0.4872870147228241 } }, { "source": "CID:9820008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "SC-12267-milrinone similarity", "source_label": "SC-12267", "target_label": "milrinone", "cosine_similarity": 0.2629632651805877 } }, { "source": "CID:30668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "lofexidine-AZD-7687 similarity", "source_label": "lofexidine", "target_label": "AZD-7687", "cosine_similarity": 0.4208206236362457 } }, { "source": "CID:4906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "prilocaine-ARG-CSC-81 similarity", "source_label": "prilocaine", "target_label": "ARG-CSC-81", "cosine_similarity": 0.2547012269496918 } }, { "source": "CID:11955855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46700756", "properties": { "id": "LY-2603618-LY-2606368 similarity", "source_label": "LY-2603618", "target_label": "LY-2606368", "cosine_similarity": 0.4993629455566406 } }, { "source": "CID:3946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1775", "properties": { "id": "lobenzarit-phenytoin similarity", "source_label": "lobenzarit", "target_label": "phenytoin", "cosine_similarity": 0.4354537725448608 } }, { "source": "CID:52914932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "SAR-245408-navitoclax similarity", "source_label": "SAR-245408", "target_label": "navitoclax", "cosine_similarity": 0.3602005839347839 } }, { "source": "CID:421610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133633", "properties": { "id": "GANT-61-L-741626 similarity", "source_label": "GANT-61", "target_label": "L-741626", "cosine_similarity": 0.2985099554061889 } }, { "source": "CID:23891514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "I-606061-puromycin similarity", "source_label": "I-606061", "target_label": "puromycin", "cosine_similarity": 0.67108553647995 } }, { "source": "CID:88505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "DMNB-furazolidone similarity", "source_label": "DMNB", "target_label": "furazolidone", "cosine_similarity": 0.5399389266967773 } }, { "source": "CID:4377504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "CFM-2-zolpidem similarity", "source_label": "CFM-2", "target_label": "zolpidem", "cosine_similarity": 0.331978440284729 } }, { "source": "CID:3242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "epirizole-reboxetine similarity", "source_label": "epirizole", "target_label": "reboxetine", "cosine_similarity": 0.412858247756958 } }, { "source": "CID:56052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2968", "properties": { "id": "ractopamine-decamethonium similarity", "source_label": "ractopamine", "target_label": "decamethonium", "cosine_similarity": 0.1407382786273956 } }, { "source": "CID:68911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "artemether-remacemide similarity", "source_label": "artemether", "target_label": "remacemide", "cosine_similarity": 0.2623985707759857 } }, { "source": "CID:4355450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "LY-225910-KU-C104493 similarity", "source_label": "LY-225910", "target_label": "KU-C104493", "cosine_similarity": 0.2115008682012558 } }, { "source": "CID:11219835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6328608", "properties": { "id": "ataluren-abacavir similarity", "source_label": "ataluren", "target_label": "abacavir", "cosine_similarity": 0.352837860584259 } }, { "source": "CID:44492524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503242", "properties": { "id": "SA-242939-SA-244587 similarity", "source_label": "SA-242939", "target_label": "SA-244587", "cosine_similarity": 0.3189167976379394 } }, { "source": "CID:44498587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "SA-425500-RS-17053 similarity", "source_label": "SA-425500", "target_label": "RS-17053", "cosine_similarity": 0.533949077129364 } }, { "source": "CID:222515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "brazilin-K784-3188 similarity", "source_label": "brazilin", "target_label": "K784-3188", "cosine_similarity": 0.5075913071632385 } }, { "source": "CID:2157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "amiodarone-BIBU-1361 similarity", "source_label": "amiodarone", "target_label": "BIBU-1361", "cosine_similarity": 0.5959661602973938 } }, { "source": "CID:59588070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "JNK-9L-BMS-387032 similarity", "source_label": "JNK-9L", "target_label": "BMS-387032", "cosine_similarity": 0.635307788848877 } }, { "source": "CID:3085416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "ivermectin-RAF-265 similarity", "source_label": "ivermectin", "target_label": "RAF-265", "cosine_similarity": 0.540585994720459 } }, { "source": "CID:124846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604933", "properties": { "id": "HTMT-WAY-629 similarity", "source_label": "HTMT", "target_label": "WAY-629", "cosine_similarity": 0.2848250269889831 } }, { "source": "CID:44483253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "cyclopiazonic-acid-cyclosporin-a similarity", "source_label": "cyclopiazonic-acid", "target_label": "cyclosporin-a", "cosine_similarity": 0.4386042952537536 } }, { "source": "CID:54666790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-1919918-SA-441487 similarity", "source_label": "SA-1919918", "target_label": "SA-441487", "cosine_similarity": 0.3188611567020416 } }, { "source": "CID:1088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "sarcosine-tirasemtiv similarity", "source_label": "sarcosine", "target_label": "tirasemtiv", "cosine_similarity": 0.5276234745979309 } }, { "source": "CID:19667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2763", "properties": { "id": "bephenium-ciprofibrate similarity", "source_label": "bephenium", "target_label": "ciprofibrate", "cosine_similarity": 0.2030131518840789 } }, { "source": "CID:216235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4306515", "properties": { "id": "sitaxentan-SC-560 similarity", "source_label": "sitaxentan", "target_label": "SC-560", "cosine_similarity": 0.1553510725498199 } }, { "source": "CID:11561674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708718", "properties": { "id": "apremilast-lupanine similarity", "source_label": "apremilast", "target_label": "lupanine", "cosine_similarity": 0.3345420956611633 } }, { "source": "CID:2585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "carvedilol-granisetron similarity", "source_label": "carvedilol", "target_label": "granisetron", "cosine_similarity": 0.4808219075202942 } }, { "source": "CID:5908088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369491", "properties": { "id": "oxindole-I-PD-407824 similarity", "source_label": "oxindole-I", "target_label": "PD-407824", "cosine_similarity": 0.2732739746570587 } }, { "source": "CID:171548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "biotin-DAC-004 similarity", "source_label": "biotin", "target_label": "DAC-004", "cosine_similarity": 0.3004442453384399 } }, { "source": "CID:73707542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1024-BML-210 similarity", "source_label": "BG-1024", "target_label": "BML-210", "cosine_similarity": 0.6571508049964905 } }, { "source": "CID:3994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25118059", "properties": { "id": "M-344-BG-1005 similarity", "source_label": "M-344", "target_label": "BG-1005", "cosine_similarity": 0.5750430822372437 } }, { "source": "CID:135398738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "dacarbazine-granisetron similarity", "source_label": "dacarbazine", "target_label": "granisetron", "cosine_similarity": 0.50383061170578 } }, { "source": "CID:5487427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362116", "properties": { "id": "tiotropium-delapril similarity", "source_label": "tiotropium", "target_label": "delapril", "cosine_similarity": 0.1811286360025406 } }, { "source": "CID:9886498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "HU-211-rottlerin similarity", "source_label": "HU-211", "target_label": "rottlerin", "cosine_similarity": 0.3261469006538391 } }, { "source": "CID:121891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4679", "properties": { "id": "mitiglinide-pantoprazole similarity", "source_label": "mitiglinide", "target_label": "pantoprazole", "cosine_similarity": 0.368075966835022 } }, { "source": "CID:6451164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "rilpivirine-fluconazole similarity", "source_label": "rilpivirine", "target_label": "fluconazole", "cosine_similarity": 0.2647639513015747 } }, { "source": "CID:4104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5904", "properties": { "id": "methimazole-benzylpenicillin similarity", "source_label": "methimazole", "target_label": "benzylpenicillin", "cosine_similarity": 0.4091010093688965 } }, { "source": "CID:4632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "oxybenzone-dienestrol similarity", "source_label": "oxybenzone", "target_label": "dienestrol", "cosine_similarity": 0.4524735808372497 } }, { "source": "CID:5905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "idoxuridine-S-isopropylisothiourea similarity", "source_label": "idoxuridine", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.2072706818580627 } }, { "source": "CID:936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2161", "properties": { "id": "nicotinamide-amlexanox similarity", "source_label": "nicotinamide", "target_label": "amlexanox", "cosine_similarity": 0.4623273015022278 } }, { "source": "CID:3194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708742", "properties": { "id": "ebselen-inosine similarity", "source_label": "ebselen", "target_label": "inosine", "cosine_similarity": 0.3539601862430572 } }, { "source": "CID:5511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23817954", "properties": { "id": "tolperisone-josamycin similarity", "source_label": "tolperisone", "target_label": "josamycin", "cosine_similarity": 0.2905885875225067 } }, { "source": "CID:5280805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104865", "properties": { "id": "rutin-bosentan similarity", "source_label": "rutin", "target_label": "bosentan", "cosine_similarity": 0.3818393051624298 } }, { "source": "CID:59768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "esmolol-alizapride similarity", "source_label": "esmolol", "target_label": "alizapride", "cosine_similarity": 0.4107083976268768 } }, { "source": "CID:5281672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "myricetin-DAC-013 similarity", "source_label": "myricetin", "target_label": "DAC-013", "cosine_similarity": 0.5158876180648804 } }, { "source": "CID:5338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "sulfaquinoxaline-SA-423131 similarity", "source_label": "sulfaquinoxaline", "target_label": "SA-423131", "cosine_similarity": 0.2700660526752472 } }, { "source": "CID:159594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11689883", "properties": { "id": "atrasentan-omecamtiv-mecarbil similarity", "source_label": "atrasentan", "target_label": "omecamtiv-mecarbil", "cosine_similarity": 0.2858987152576446 } }, { "source": "CID:23635314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "KX-2391-dolastatin-10 similarity", "source_label": "KX-2391", "target_label": "dolastatin-10", "cosine_similarity": 0.8395317792892456 } }, { "source": "CID:44484225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44508028", "properties": { "id": "SA-90030-SA-247582 similarity", "source_label": "SA-90030", "target_label": "SA-247582", "cosine_similarity": 0.3930579125881195 } }, { "source": "CID:44607584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "KU-C104137-cortisone similarity", "source_label": "KU-C104137", "target_label": "cortisone", "cosine_similarity": 0.4014370441436767 } }, { "source": "CID:51173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "flurofamide-PT-630 similarity", "source_label": "flurofamide", "target_label": "PT-630", "cosine_similarity": 0.3249671459197998 } }, { "source": "CID:3034034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "quinine-tetrahydrouridine similarity", "source_label": "quinine", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6369919180870056 } }, { "source": "CID:5280723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280360", "properties": { "id": "alprostadil-dinoprostone similarity", "source_label": "alprostadil", "target_label": "dinoprostone", "cosine_similarity": 0.8364407420158386 } }, { "source": "CID:19009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92786", "properties": { "id": "palmatine-chloride-eltanolone similarity", "source_label": "palmatine-chloride", "target_label": "eltanolone", "cosine_similarity": 0.4764126241207123 } }, { "source": "CID:4065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "meprylcaine-SA-84512 similarity", "source_label": "meprylcaine", "target_label": "SA-84512", "cosine_similarity": 0.3225689232349396 } }, { "source": "CID:148201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "tariquidar-FIT similarity", "source_label": "tariquidar", "target_label": "FIT", "cosine_similarity": 0.27802175283432 } }, { "source": "CID:3034010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "orlistat-amiodarone similarity", "source_label": "orlistat", "target_label": "amiodarone", "cosine_similarity": 0.5319672226905823 } }, { "source": "CID:24857885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "PTB1-APO-866 similarity", "source_label": "PTB1", "target_label": "APO-866", "cosine_similarity": 0.5243729948997498 } }, { "source": "CID:40634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5325", "properties": { "id": "trolox-sulfamerazine similarity", "source_label": "trolox", "target_label": "sulfamerazine", "cosine_similarity": 0.285144180059433 } }, { "source": "CID:176870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "erlotinib-dabrafenib similarity", "source_label": "erlotinib", "target_label": "dabrafenib", "cosine_similarity": 0.6268197894096375 } }, { "source": "CID:641785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "cardamonin-7b-cis similarity", "source_label": "cardamonin", "target_label": "7b-cis", "cosine_similarity": 0.3107046484947204 } }, { "source": "CID:2478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "busulfan-cholic-acid similarity", "source_label": "busulfan", "target_label": "cholic-acid", "cosine_similarity": 0.3522001206874847 } }, { "source": "CID:50910523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "ARG-CSC-91-GW-5074 similarity", "source_label": "ARG-CSC-91", "target_label": "GW-5074", "cosine_similarity": 0.3641696870326996 } }, { "source": "CID:5202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "serotonin-fumonisin-b1 similarity", "source_label": "serotonin", "target_label": "fumonisin-b1", "cosine_similarity": 0.5709223747253418 } }, { "source": "CID:4884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3995234", "properties": { "id": "pralidoxime-FGIN-1-43 similarity", "source_label": "pralidoxime", "target_label": "FGIN-1-43", "cosine_similarity": 0.2866473197937011 } }, { "source": "CID:2482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191176", "properties": { "id": "butamben-aminoresveratrol similarity", "source_label": "butamben", "target_label": "aminoresveratrol", "cosine_similarity": 0.2668631076812744 } }, { "source": "CID:54445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68602", "properties": { "id": "castanospermine-medetomidine similarity", "source_label": "castanospermine", "target_label": "medetomidine", "cosine_similarity": 0.4339717626571655 } }, { "source": "CID:3616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "hexamethylenebisacetamide-CV-1808 similarity", "source_label": "hexamethylenebisacetamide", "target_label": "CV-1808", "cosine_similarity": 0.259909838438034 } }, { "source": "CID:11210478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "WP-1066-ryuvidine similarity", "source_label": "WP-1066", "target_label": "ryuvidine", "cosine_similarity": 0.2667821943759918 } }, { "source": "CID:73707394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "SA-1447005-RS-I-002-6 similarity", "source_label": "SA-1447005", "target_label": "RS-I-002-6", "cosine_similarity": 0.7922532558441162 } }, { "source": "CID:5468216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "RG-13022-enzalutamide similarity", "source_label": "RG-13022", "target_label": "enzalutamide", "cosine_similarity": 0.2582281231880188 } }, { "source": "CID:3085219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "mirtazapine-lodoxamide similarity", "source_label": "mirtazapine", "target_label": "lodoxamide", "cosine_similarity": 0.4853731393814087 } }, { "source": "CID:10219702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "DR-2313-TAK-715 similarity", "source_label": "DR-2313", "target_label": "TAK-715", "cosine_similarity": 0.3761013150215149 } }, { "source": "CID:448013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "epothilone-paclitaxel similarity", "source_label": "epothilone", "target_label": "paclitaxel", "cosine_similarity": 0.7754613161087036 } }, { "source": "CID:864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439246", "properties": { "id": "thioctic-acid-naringenin similarity", "source_label": "thioctic-acid", "target_label": "naringenin", "cosine_similarity": 0.3941051363945007 } }, { "source": "CID:73707550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42618298", "properties": { "id": "BG-1026-BG-1030 similarity", "source_label": "BG-1026", "target_label": "BG-1030", "cosine_similarity": 0.3850026428699493 } }, { "source": "CID:3111211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "ML-213-flutrimazole similarity", "source_label": "ML-213", "target_label": "flutrimazole", "cosine_similarity": 0.2898967862129211 } }, { "source": "CID:439285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4634", "properties": { "id": "choline-alfoscerate-oxybutynin similarity", "source_label": "choline-alfoscerate", "target_label": "oxybutynin", "cosine_similarity": 0.3197475671768188 } }, { "source": "CID:50312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "fiacitabine-dienestrol similarity", "source_label": "fiacitabine", "target_label": "dienestrol", "cosine_similarity": 0.3213419318199157 } }, { "source": "CID:456201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "ketoconazole-salmeterol similarity", "source_label": "ketoconazole", "target_label": "salmeterol", "cosine_similarity": 0.2854698896408081 } }, { "source": "CID:24946690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "bitopertin-cinoxacin similarity", "source_label": "bitopertin", "target_label": "cinoxacin", "cosine_similarity": 0.5684858560562134 } }, { "source": "CID:3715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "indometacin-actarit similarity", "source_label": "indometacin", "target_label": "actarit", "cosine_similarity": 0.3894509971141815 } }, { "source": "CID:5702055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "flumethasone-pivalate-pipenzolate similarity", "source_label": "flumethasone-pivalate", "target_label": "pipenzolate", "cosine_similarity": 0.6578267216682434 } }, { "source": "CID:71310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "atipamezole-vinburnine similarity", "source_label": "atipamezole", "target_label": "vinburnine", "cosine_similarity": 0.3749318420886993 } }, { "source": "CID:361510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "emodic-acid-methyl-fasudil similarity", "source_label": "emodic-acid", "target_label": "methyl-fasudil", "cosine_similarity": 0.3025720715522766 } }, { "source": "CID:3121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "valproic-acid-TAK-715 similarity", "source_label": "valproic-acid", "target_label": "TAK-715", "cosine_similarity": 0.4029025435447693 } }, { "source": "CID:119373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "elacridar-resatorvid similarity", "source_label": "elacridar", "target_label": "resatorvid", "cosine_similarity": 0.2911089360713959 } }, { "source": "CID:7791937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1133081", "properties": { "id": "BG-1022-BG-1014 similarity", "source_label": "BG-1022", "target_label": "BG-1014", "cosine_similarity": 0.3978970944881439 } }, { "source": "CID:44495084", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658632", "properties": { "id": "SA-440772-SA-1456977 similarity", "source_label": "SA-440772", "target_label": "SA-1456977", "cosine_similarity": 0.3266398012638092 } }, { "source": "CID:2355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2973", "properties": { "id": "bergapten-deferoxamine-mesylate similarity", "source_label": "bergapten", "target_label": "deferoxamine-mesylate", "cosine_similarity": 0.6264293193817139 } }, { "source": "CID:9939609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "darapladib-trifluoperazine similarity", "source_label": "darapladib", "target_label": "trifluoperazine", "cosine_similarity": 0.2884187698364258 } }, { "source": "CID:9907323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "cutamesine-A-769662 similarity", "source_label": "cutamesine", "target_label": "A-769662", "cosine_similarity": 0.2533072829246521 } }, { "source": "CID:4091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "metformin-diazoxide similarity", "source_label": "metformin", "target_label": "diazoxide", "cosine_similarity": 0.4693292081356048 } }, { "source": "CID:3976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "LY-83583-TUL-XX023 similarity", "source_label": "LY-83583", "target_label": "TUL-XX023", "cosine_similarity": 0.2451413869857788 } }, { "source": "CID:16004692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "macitentan-L-ergothioneine similarity", "source_label": "macitentan", "target_label": "L-ergothioneine", "cosine_similarity": 0.7633485198020935 } }, { "source": "CID:44502203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659868", "properties": { "id": "SA-101686-SA-1459031 similarity", "source_label": "SA-101686", "target_label": "SA-1459031", "cosine_similarity": 0.383685439825058 } }, { "source": "CID:720932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "ST-012525-SMER-28 similarity", "source_label": "ST-012525", "target_label": "SMER-28", "cosine_similarity": 0.2242185622453689 } }, { "source": "CID:667550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "dexketoprofen-SKI-II similarity", "source_label": "dexketoprofen", "target_label": "SKI-II", "cosine_similarity": 0.3609464466571808 } }, { "source": "CID:379077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "NSC-663284-K784-3187 similarity", "source_label": "NSC-663284", "target_label": "K784-3187", "cosine_similarity": 0.6358371376991272 } }, { "source": "CID:9956145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "GGTI-297-ITSA-1 similarity", "source_label": "GGTI-297", "target_label": "ITSA-1", "cosine_similarity": 0.3142206966876983 } }, { "source": "CID:443874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "temocapril-danegaptide similarity", "source_label": "temocapril", "target_label": "danegaptide", "cosine_similarity": 0.3571362793445587 } }, { "source": "CID:5281792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22565", "properties": { "id": "rosmarinic-acid-aminopentamide similarity", "source_label": "rosmarinic-acid", "target_label": "aminopentamide", "cosine_similarity": 0.2699982821941376 } }, { "source": "CID:2820134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "KM-03472SC-RS-I-002-6 similarity", "source_label": "KM-03472SC", "target_label": "RS-I-002-6", "cosine_similarity": 0.2399495989084243 } }, { "source": "CID:6604200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "nitrofurantoin-cyclosporin-a similarity", "source_label": "nitrofurantoin", "target_label": "cyclosporin-a", "cosine_similarity": 0.3136630654335022 } }, { "source": "CID:153994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:89594", "properties": { "id": "cleviprex-nicotine similarity", "source_label": "cleviprex", "target_label": "nicotine", "cosine_similarity": 0.1976245790719986 } }, { "source": "CID:73652146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40486", "properties": { "id": "ionomycin-A-23187 similarity", "source_label": "ionomycin", "target_label": "A-23187", "cosine_similarity": 0.3393599092960357 } }, { "source": "CID:73707348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "anthothecol-NSC-632839 similarity", "source_label": "anthothecol", "target_label": "NSC-632839", "cosine_similarity": 0.6043907403945923 } }, { "source": "CID:9953592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:196841", "properties": { "id": "naltrindole-FR-122047 similarity", "source_label": "naltrindole", "target_label": "FR-122047", "cosine_similarity": 0.2887452244758606 } }, { "source": "CID:6708725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483234", "properties": { "id": "gedunin-terreic-acid similarity", "source_label": "gedunin", "target_label": "terreic-acid", "cosine_similarity": 0.3532663583755493 } }, { "source": "CID:60160561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "EPZ-005687-thioridazine similarity", "source_label": "EPZ-005687", "target_label": "thioridazine", "cosine_similarity": 0.2182669341564178 } }, { "source": "CID:637858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "piperlongumine-MD-II-008-P similarity", "source_label": "piperlongumine", "target_label": "MD-II-008-P", "cosine_similarity": 0.7190770506858826 } }, { "source": "CID:5310968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:476", "properties": { "id": "SIB-1553A-mevalonic-acid similarity", "source_label": "SIB-1553A", "target_label": "mevalonic-acid", "cosine_similarity": 0.2046165913343429 } }, { "source": "CID:5280343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "quercetin-L-ergothioneine similarity", "source_label": "quercetin", "target_label": "L-ergothioneine", "cosine_similarity": 0.6253145933151245 } }, { "source": "CID:214347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "dapivirine-rifabutin similarity", "source_label": "dapivirine", "target_label": "rifabutin", "cosine_similarity": 0.4750131964683532 } }, { "source": "CID:4622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:766949", "properties": { "id": "oxibendazole-JNK-IN-5A similarity", "source_label": "oxibendazole", "target_label": "JNK-IN-5A", "cosine_similarity": 0.5604568719863892 } }, { "source": "CID:73707430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "gestrinone-sodium-gualenate similarity", "source_label": "gestrinone", "target_label": "sodium-gualenate", "cosine_similarity": 0.4501030743122101 } }, { "source": "CID:2814135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490857", "properties": { "id": "CS-2092524-SA-103123 similarity", "source_label": "CS-2092524", "target_label": "SA-103123", "cosine_similarity": 0.3262261152267456 } }, { "source": "CID:50312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2799", "properties": { "id": "fiacitabine-clofoctol similarity", "source_label": "fiacitabine", "target_label": "clofoctol", "cosine_similarity": 0.3069457113742828 } }, { "source": "CID:4306515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11716890", "properties": { "id": "SC-560-YM-298198 similarity", "source_label": "SC-560", "target_label": "YM-298198", "cosine_similarity": 0.2550835013389587 } }, { "source": "CID:405012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "indoximod-sacubitril similarity", "source_label": "indoximod", "target_label": "sacubitril", "cosine_similarity": 0.2518044412136078 } }, { "source": "CID:5482874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "rifabutin-apafant similarity", "source_label": "rifabutin", "target_label": "apafant", "cosine_similarity": 0.5422250628471375 } }, { "source": "CID:5383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "tebuthiuron-FTI-276 similarity", "source_label": "tebuthiuron", "target_label": "FTI-276", "cosine_similarity": 0.3133892714977264 } }, { "source": "CID:3936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "liranaftate-disopyramide similarity", "source_label": "liranaftate", "target_label": "disopyramide", "cosine_similarity": 0.518753170967102 } }, { "source": "CID:24871028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3287", "properties": { "id": "nystatin-ethionamide similarity", "source_label": "nystatin", "target_label": "ethionamide", "cosine_similarity": 0.2432914078235626 } }, { "source": "CID:6338099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "securinine-RS-I-002-6 similarity", "source_label": "securinine", "target_label": "RS-I-002-6", "cosine_similarity": 0.2658089399337768 } }, { "source": "CID:1054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4421", "properties": { "id": "pyridoxine-nalidixic-acid similarity", "source_label": "pyridoxine", "target_label": "nalidixic-acid", "cosine_similarity": 0.2120361477136612 } }, { "source": "CID:129010088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "bilobalide-orciprenaline similarity", "source_label": "bilobalide", "target_label": "orciprenaline", "cosine_similarity": 0.270179271697998 } }, { "source": "CID:9934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "timonacic-levamisole similarity", "source_label": "timonacic", "target_label": "levamisole", "cosine_similarity": 0.3255020976066589 } }, { "source": "CID:9893887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "L-368899-SB-216641 similarity", "source_label": "L-368899", "target_label": "SB-216641", "cosine_similarity": 0.2850169837474823 } }, { "source": "CID:449215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:476", "properties": { "id": "cycloserine-mevalonic-acid similarity", "source_label": "cycloserine", "target_label": "mevalonic-acid", "cosine_similarity": 0.1885482370853424 } }, { "source": "CID:54669118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500706", "properties": { "id": "SA-1921902-SA-97259 similarity", "source_label": "SA-1921902", "target_label": "SA-97259", "cosine_similarity": 0.2436955124139785 } }, { "source": "CID:88505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "DMNB-S-isopropylisothiourea similarity", "source_label": "DMNB", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.6633105278015137 } }, { "source": "CID:73707508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12801781", "properties": { "id": "lynestrenol-imipenem similarity", "source_label": "lynestrenol", "target_label": "imipenem", "cosine_similarity": 0.2135201394557953 } }, { "source": "CID:3012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "R-59022-KU-C104248 similarity", "source_label": "R-59022", "target_label": "KU-C104248", "cosine_similarity": 0.3478241860866546 } }, { "source": "CID:3634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "hycanthone-teniposide similarity", "source_label": "hycanthone", "target_label": "teniposide", "cosine_similarity": 0.3259048759937286 } }, { "source": "CID:24798764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "VX-222-phenylacetylglutamine similarity", "source_label": "VX-222", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.4632327854633331 } }, { "source": "CID:2551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "carbachol-cilostazol similarity", "source_label": "carbachol", "target_label": "cilostazol", "cosine_similarity": 0.3662610054016113 } }, { "source": "CID:5455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "thiram-withaferin-a similarity", "source_label": "thiram", "target_label": "withaferin-a", "cosine_similarity": 0.5007279515266418 } }, { "source": "CID:4413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "nafamostat-S-18986 similarity", "source_label": "nafamostat", "target_label": "S-18986", "cosine_similarity": 0.4684147238731384 } }, { "source": "CID:457964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "aphidicolin-cladribine similarity", "source_label": "aphidicolin", "target_label": "cladribine", "cosine_similarity": 0.6117433309555054 } }, { "source": "CID:5702051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:152946", "properties": { "id": "estradiol-cypionate-moxifloxacin similarity", "source_label": "estradiol-cypionate", "target_label": "moxifloxacin", "cosine_similarity": 0.6220355033874512 } }, { "source": "CID:53245456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "TUL_XIX003-MW-STK33-100 similarity", "source_label": "TUL_XIX003", "target_label": "MW-STK33-100", "cosine_similarity": 0.5771766901016235 } }, { "source": "CID:6708636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6127", "properties": { "id": "dihydrodeoxygedunin-diphemanil similarity", "source_label": "dihydrodeoxygedunin", "target_label": "diphemanil", "cosine_similarity": 0.2327203154563903 } }, { "source": "CID:3428129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "ichthynone-JAS07-006 similarity", "source_label": "ichthynone", "target_label": "JAS07-006", "cosine_similarity": 0.3237453699111938 } }, { "source": "CID:6604928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "GS-39783-diethylcarbamazine similarity", "source_label": "GS-39783", "target_label": "diethylcarbamazine", "cosine_similarity": 0.2967463433742523 } }, { "source": "CID:15376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54680692", "properties": { "id": "vincamine-phenprocoumon similarity", "source_label": "vincamine", "target_label": "phenprocoumon", "cosine_similarity": 0.4672658741474151 } }, { "source": "CID:3450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324", "properties": { "id": "gallamine-sulfaguanidine similarity", "source_label": "gallamine", "target_label": "sulfaguanidine", "cosine_similarity": 0.228628933429718 } }, { "source": "CID:9892554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5351542", "properties": { "id": "EMD-84-morphothebaine similarity", "source_label": "EMD-84", "target_label": "morphothebaine", "cosine_similarity": 0.3056984543800354 } }, { "source": "CID:10620479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10081070", "properties": { "id": "BML-278-butyrolactone similarity", "source_label": "BML-278", "target_label": "butyrolactone", "cosine_similarity": 0.4264043569564819 } }, { "source": "CID:4898145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494424", "properties": { "id": "EMF-sumo1-9-SA-103021 similarity", "source_label": "EMF-sumo1-9", "target_label": "SA-103021", "cosine_similarity": 0.2270655483007431 } }, { "source": "CID:3948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "lomefloxacin-amidopyrine similarity", "source_label": "lomefloxacin", "target_label": "amidopyrine", "cosine_similarity": 0.3881681263446808 } }, { "source": "CID:709391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15983966", "properties": { "id": "MW-STK33-2A-GSK-461364 similarity", "source_label": "MW-STK33-2A", "target_label": "GSK-461364", "cosine_similarity": 0.3923299908638 } }, { "source": "CID:62034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "lylamine-NNC-55-0396 similarity", "source_label": "lylamine", "target_label": "NNC-55-0396", "cosine_similarity": 0.5855621099472046 } }, { "source": "CID:10932412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46783527", "properties": { "id": "6-nitrodopamine-taurocholic-acid similarity", "source_label": "6-nitrodopamine", "target_label": "taurocholic-acid", "cosine_similarity": 0.2157523334026336 } }, { "source": "CID:5245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "risedronate-cladribine similarity", "source_label": "risedronate", "target_label": "cladribine", "cosine_similarity": 0.2019627392292022 } }, { "source": "CID:3919910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691868", "properties": { "id": "tubaic-acid-ST-4029010 similarity", "source_label": "tubaic-acid", "target_label": "ST-4029010", "cosine_similarity": 0.2995187938213348 } }, { "source": "CID:6708742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3194", "properties": { "id": "inosine-ebselen similarity", "source_label": "inosine", "target_label": "ebselen", "cosine_similarity": 0.3539601862430572 } }, { "source": "CID:65937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "dexloxiglumide-inositol similarity", "source_label": "dexloxiglumide", "target_label": "inositol", "cosine_similarity": 0.7972609400749207 } }, { "source": "CID:16666708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "AZD-8330-PD-0325901 similarity", "source_label": "AZD-8330", "target_label": "PD-0325901", "cosine_similarity": 0.9115347266197203 } }, { "source": "CID:3025961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "MPEP-levamisole similarity", "source_label": "MPEP", "target_label": "levamisole", "cosine_similarity": 0.2082994878292083 } }, { "source": "CID:3270699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "rhodomyrtoxin-b-CGP-71683 similarity", "source_label": "rhodomyrtoxin-b", "target_label": "CGP-71683", "cosine_similarity": 0.7669484615325928 } }, { "source": "CID:60852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487665", "properties": { "id": "ibandronic-acid-SA-85377 similarity", "source_label": "ibandronic-acid", "target_label": "SA-85377", "cosine_similarity": 0.1861217617988586 } }, { "source": "CID:447966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "LY-364947-Y-27632 similarity", "source_label": "LY-364947", "target_label": "Y-27632", "cosine_similarity": 0.3882395923137665 } }, { "source": "CID:25195348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "VER-155008-carbamazepine similarity", "source_label": "VER-155008", "target_label": "carbamazepine", "cosine_similarity": 0.4108448624610901 } }, { "source": "CID:6610344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "forskolin-PF-04217903 similarity", "source_label": "forskolin", "target_label": "PF-04217903", "cosine_similarity": 0.3307310044765472 } }, { "source": "CID:253078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "GANT-58-RG-108 similarity", "source_label": "GANT-58", "target_label": "RG-108", "cosine_similarity": 0.3495923578739166 } }, { "source": "CID:65492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "iopamidol-APO-866 similarity", "source_label": "iopamidol", "target_label": "APO-866", "cosine_similarity": 0.3149144053459167 } }, { "source": "CID:24180719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644241", "properties": { "id": "PLX-4720-nilotinib similarity", "source_label": "PLX-4720", "target_label": "nilotinib", "cosine_similarity": 0.3997212648391723 } }, { "source": "CID:4855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707499", "properties": { "id": "piromidic-acid-paromomycin similarity", "source_label": "piromidic-acid", "target_label": "paromomycin", "cosine_similarity": 0.2489915639162063 } }, { "source": "CID:1585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "CV-1808-dienestrol similarity", "source_label": "CV-1808", "target_label": "dienestrol", "cosine_similarity": 0.5551847815513611 } }, { "source": "CID:11095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "eriodictyol-myricetin similarity", "source_label": "eriodictyol", "target_label": "myricetin", "cosine_similarity": 0.3008833527565002 } }, { "source": "CID:6093179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "estropipate-FTI-276 similarity", "source_label": "estropipate", "target_label": "FTI-276", "cosine_similarity": 0.3444305658340454 } }, { "source": "CID:54613929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616599", "properties": { "id": "SA-243276-SA-427636 similarity", "source_label": "SA-243276", "target_label": "SA-427636", "cosine_similarity": 0.2718130946159363 } }, { "source": "CID:2244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "aspirin-pritelivir similarity", "source_label": "aspirin", "target_label": "pritelivir", "cosine_similarity": 0.4284402728080749 } }, { "source": "CID:5280483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680401", "properties": { "id": "phylloquinone-MW-SHH-250 similarity", "source_label": "phylloquinone", "target_label": "MW-SHH-250", "cosine_similarity": 0.2431738227605819 } }, { "source": "CID:449241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "H-89-tamoxifen similarity", "source_label": "H-89", "target_label": "tamoxifen", "cosine_similarity": 0.5089519023895264 } }, { "source": "CID:23236067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "flunisolide-fluticasone-propionate similarity", "source_label": "flunisolide", "target_label": "fluticasone-propionate", "cosine_similarity": 0.4814575016498565 } }, { "source": "CID:53245442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "TUL-XX025TFA-gossypin similarity", "source_label": "TUL-XX025TFA", "target_label": "gossypin", "cosine_similarity": 0.4772999882698059 } }, { "source": "CID:60190539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44486995", "properties": { "id": "SA-1939945-SA-424764 similarity", "source_label": "SA-1939945", "target_label": "SA-424764", "cosine_similarity": 0.257752925157547 } }, { "source": "CID:3011155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914273", "properties": { "id": "nelarabine-dantrolene similarity", "source_label": "nelarabine", "target_label": "dantrolene", "cosine_similarity": 0.3559655547142029 } }, { "source": "CID:4189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "miconazole-disopyramide similarity", "source_label": "miconazole", "target_label": "disopyramide", "cosine_similarity": 0.2372497618198394 } }, { "source": "CID:9927531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "BIBR-1532-PF-3845 similarity", "source_label": "BIBR-1532", "target_label": "PF-3845", "cosine_similarity": 0.4117838144302368 } }, { "source": "CID:114924", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5498067", "properties": { "id": "tetradecylthioacetic-acid-esculin similarity", "source_label": "tetradecylthioacetic-acid", "target_label": "esculin", "cosine_similarity": 0.2882804870605469 } }, { "source": "CID:1918543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "MW-STK33-2B-BG-STK33-03 similarity", "source_label": "MW-STK33-2B", "target_label": "BG-STK33-03", "cosine_similarity": 0.8056092858314514 } }, { "source": "CID:4913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "procainamide-mCPP similarity", "source_label": "procainamide", "target_label": "mCPP", "cosine_similarity": 0.4043257236480713 } }, { "source": "CID:25105713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "VU-0155069-tetrandrine similarity", "source_label": "VU-0155069", "target_label": "tetrandrine", "cosine_similarity": 0.5750492811203003 } }, { "source": "CID:73707354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "eserine-myricetin similarity", "source_label": "eserine", "target_label": "myricetin", "cosine_similarity": 0.2461822479963302 } }, { "source": "CID:54654560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505239", "properties": { "id": "SA-1473468-SA-419021 similarity", "source_label": "SA-1473468", "target_label": "SA-419021", "cosine_similarity": 0.3022967875003814 } }, { "source": "CID:161930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "icilin-SMER-28 similarity", "source_label": "icilin", "target_label": "SMER-28", "cosine_similarity": 0.2445462495088577 } }, { "source": "CID:4456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4171", "properties": { "id": "neostigmine-metoprolol similarity", "source_label": "neostigmine", "target_label": "metoprolol", "cosine_similarity": 0.4413650035858154 } }, { "source": "CID:44504326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-103013-SA-1473405 similarity", "source_label": "SA-103013", "target_label": "SA-1473405", "cosine_similarity": 0.3925374746322632 } }, { "source": "CID:15096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "tributyltin-STK-397047 similarity", "source_label": "tributyltin", "target_label": "STK-397047", "cosine_similarity": 0.2448690980672836 } }, { "source": "CID:134778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "ICI-162846-gemfibrozil similarity", "source_label": "ICI-162846", "target_label": "gemfibrozil", "cosine_similarity": 0.591850221157074 } }, { "source": "CID:54676478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "roquinimex-PSI-6130 similarity", "source_label": "roquinimex", "target_label": "PSI-6130", "cosine_similarity": 0.5537768006324768 } }, { "source": "CID:4813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "piceatannol-SKI-II similarity", "source_label": "piceatannol", "target_label": "SKI-II", "cosine_similarity": 0.5485603213310242 } }, { "source": "CID:54668530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "SA-1920722-SA-1456734 similarity", "source_label": "SA-1920722", "target_label": "SA-1456734", "cosine_similarity": 0.4453901052474975 } }, { "source": "CID:34359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "carbidopa-SA-1458026 similarity", "source_label": "carbidopa", "target_label": "SA-1458026", "cosine_similarity": 0.243754893541336 } }, { "source": "CID:1176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "urea-lamivudine similarity", "source_label": "urea", "target_label": "lamivudine", "cosine_similarity": 0.4930983483791351 } }, { "source": "CID:60511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:363863", "properties": { "id": "remacemide-maackiain similarity", "source_label": "remacemide", "target_label": "maackiain", "cosine_similarity": 0.3727408945560455 } }, { "source": "CID:38409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2208391", "properties": { "id": "tienilic-acid-BJM-HSC2-10 similarity", "source_label": "tienilic-acid", "target_label": "BJM-HSC2-10", "cosine_similarity": 0.3163534104824066 } }, { "source": "CID:5491955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234049", "properties": { "id": "cefozopran-tedizolid similarity", "source_label": "cefozopran", "target_label": "tedizolid", "cosine_similarity": 0.2459261864423751 } }, { "source": "CID:11054313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3816756", "properties": { "id": "KU-C103867-AT-SUMO-1 similarity", "source_label": "KU-C103867", "target_label": "AT-SUMO-1", "cosine_similarity": 0.4345066547393799 } }, { "source": "CID:10099206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "LB-42708-Ro-4987655 similarity", "source_label": "LB-42708", "target_label": "Ro-4987655", "cosine_similarity": 0.4244705736637115 } }, { "source": "CID:6610350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SB-203580-gossypin similarity", "source_label": "SB-203580", "target_label": "gossypin", "cosine_similarity": 0.4082255661487579 } }, { "source": "CID:6708582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3946", "properties": { "id": "deoxyandirobin-lobenzarit similarity", "source_label": "deoxyandirobin", "target_label": "lobenzarit", "cosine_similarity": 0.2069464176893234 } }, { "source": "CID:44505047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "SA-419083-flutamide similarity", "source_label": "SA-419083", "target_label": "flutamide", "cosine_similarity": 0.2556568086147308 } }, { "source": "CID:6604822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "AM-404-butein similarity", "source_label": "AM-404", "target_label": "butein", "cosine_similarity": 0.2183855175971985 } }, { "source": "CID:5329255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3610881", "properties": { "id": "bis-tyrphostin-EMF-sumo1-5 similarity", "source_label": "bis-tyrphostin", "target_label": "EMF-sumo1-5", "cosine_similarity": 0.2085751742124557 } }, { "source": "CID:161566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23846564", "properties": { "id": "vanillyl-glycol-butirosin similarity", "source_label": "vanillyl-glycol", "target_label": "butirosin", "cosine_similarity": 0.1773480474948883 } }, { "source": "CID:839770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "RAN-14B-SA-89763 similarity", "source_label": "RAN-14B", "target_label": "SA-89763", "cosine_similarity": 0.2761225402355194 } }, { "source": "CID:5280450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3675", "properties": { "id": "linoleic-acid-phenelzine similarity", "source_label": "linoleic-acid", "target_label": "phenelzine", "cosine_similarity": 0.4319857358932495 } }, { "source": "CID:636403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "carbenoxolone-tiapride similarity", "source_label": "carbenoxolone", "target_label": "tiapride", "cosine_similarity": 0.3812485337257385 } }, { "source": "CID:5311042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9363", "properties": { "id": "CGP-55845-etamivan similarity", "source_label": "CGP-55845", "target_label": "etamivan", "cosine_similarity": 0.3038116991519928 } }, { "source": "CID:59472121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123683", "properties": { "id": "VE-822-IB-MECA similarity", "source_label": "VE-822", "target_label": "IB-MECA", "cosine_similarity": 0.1324118971824646 } }, { "source": "CID:91588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "salsolinol-tolazamide similarity", "source_label": "salsolinol", "target_label": "tolazamide", "cosine_similarity": 0.3159228861331939 } }, { "source": "CID:51039095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9933475", "properties": { "id": "AZD-4547-cediranib similarity", "source_label": "AZD-4547", "target_label": "cediranib", "cosine_similarity": 0.467783123254776 } }, { "source": "CID:4520732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "BU-239-teniposide similarity", "source_label": "BU-239", "target_label": "teniposide", "cosine_similarity": 0.3512337803840637 } }, { "source": "CID:54585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "balsalazide-ketorolac similarity", "source_label": "balsalazide", "target_label": "ketorolac", "cosine_similarity": 0.4344607293605804 } }, { "source": "CID:126769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SB-200646-BMS-191011 similarity", "source_label": "SB-200646", "target_label": "BMS-191011", "cosine_similarity": 0.2936673462390899 } }, { "source": "CID:10228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "osthol-paraxanthine similarity", "source_label": "osthol", "target_label": "paraxanthine", "cosine_similarity": 0.2208883017301559 } }, { "source": "CID:12560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "erythromycin-aliskiren similarity", "source_label": "erythromycin", "target_label": "aliskiren", "cosine_similarity": 0.3514577448368072 } }, { "source": "CID:4107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "methocarbamol-2-iminobiotin similarity", "source_label": "methocarbamol", "target_label": "2-iminobiotin", "cosine_similarity": 0.4296437799930572 } }, { "source": "CID:5853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "metrifonate-carprofen similarity", "source_label": "metrifonate", "target_label": "carprofen", "cosine_similarity": 0.2376279681921005 } }, { "source": "CID:3741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246715", "properties": { "id": "ioversol-metacycline similarity", "source_label": "ioversol", "target_label": "metacycline", "cosine_similarity": 0.2216724008321762 } }, { "source": "CID:24747183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "JAS07-008-SMER-28 similarity", "source_label": "JAS07-008", "target_label": "SMER-28", "cosine_similarity": 0.2886074781417846 } }, { "source": "CID:214348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2749", "properties": { "id": "deferasirox-ciclopirox similarity", "source_label": "deferasirox", "target_label": "ciclopirox", "cosine_similarity": 0.3650591969490051 } }, { "source": "CID:3971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "LY-303511-XMD-1150 similarity", "source_label": "LY-303511", "target_label": "XMD-1150", "cosine_similarity": 0.3241333365440368 } }, { "source": "CID:5281727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20345", "properties": { "id": "pterostilbene-kinetin-riboside similarity", "source_label": "pterostilbene", "target_label": "kinetin-riboside", "cosine_similarity": 0.3136707246303558 } }, { "source": "CID:327653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "pifithrin-mu-manumycin-a similarity", "source_label": "pifithrin-mu", "target_label": "manumycin-a", "cosine_similarity": 0.7599320411682129 } }, { "source": "CID:33625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68634", "properties": { "id": "indoramin-oxiperomide similarity", "source_label": "indoramin", "target_label": "oxiperomide", "cosine_similarity": 0.3868090212345123 } }, { "source": "CID:122335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3331", "properties": { "id": "efaproxiral-felbamate similarity", "source_label": "efaproxiral", "target_label": "felbamate", "cosine_similarity": 0.3861814439296722 } }, { "source": "CID:16759997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "cyanopindolol-pemetrexed similarity", "source_label": "cyanopindolol", "target_label": "pemetrexed", "cosine_similarity": 0.2452171891927719 } }, { "source": "CID:5056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "resveratrol-gemfibrozil similarity", "source_label": "resveratrol", "target_label": "gemfibrozil", "cosine_similarity": 0.3985207974910736 } }, { "source": "CID:2266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "azelaic-acid-gemfibrozil similarity", "source_label": "azelaic-acid", "target_label": "gemfibrozil", "cosine_similarity": 0.3343017697334289 } }, { "source": "CID:3080926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "2-BFI-chloroxylenol similarity", "source_label": "2-BFI", "target_label": "chloroxylenol", "cosine_similarity": 0.3973166644573211 } }, { "source": "CID:5228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "SKF-86002-fluticasone-propionate similarity", "source_label": "SKF-86002", "target_label": "fluticasone-propionate", "cosine_similarity": 0.3294926285743713 } }, { "source": "CID:2170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "amoxapine-diphenidol similarity", "source_label": "amoxapine", "target_label": "diphenidol", "cosine_similarity": 0.5210089087486267 } }, { "source": "CID:5221450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707411", "properties": { "id": "BML-286-treprostinil similarity", "source_label": "BML-286", "target_label": "treprostinil", "cosine_similarity": 0.2154842168092727 } }, { "source": "CID:127382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "Ro-19-4605-DAC-012 similarity", "source_label": "Ro-19-4605", "target_label": "DAC-012", "cosine_similarity": 0.2575129568576813 } }, { "source": "CID:842059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "BG-1023-PSH-028 similarity", "source_label": "BG-1023", "target_label": "PSH-028", "cosine_similarity": 0.2692019641399383 } }, { "source": "CID:2797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "clofibric-acid-linsidomine similarity", "source_label": "clofibric-acid", "target_label": "linsidomine", "cosine_similarity": 0.510091245174408 } }, { "source": "CID:3250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ergometrine-Gossypetin similarity", "source_label": "ergometrine", "target_label": "Gossypetin", "cosine_similarity": 0.2981205582618713 } }, { "source": "CID:8982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "nafcillin-phenothiazine similarity", "source_label": "nafcillin", "target_label": "phenothiazine", "cosine_similarity": 0.3721641600131988 } }, { "source": "CID:5497183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "z-leu3-VS-puromycin similarity", "source_label": "z-leu3-VS", "target_label": "puromycin", "cosine_similarity": 0.7716805338859558 } }, { "source": "CID:151171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "conivaptan-cefepime similarity", "source_label": "conivaptan", "target_label": "cefepime", "cosine_similarity": 0.4753127694129944 } }, { "source": "CID:457928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47472", "properties": { "id": "bevirimat-dimeglumine-butoconazole similarity", "source_label": "bevirimat-dimeglumine", "target_label": "butoconazole", "cosine_similarity": 0.3694448471069336 } }, { "source": "CID:637542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "naringeninic-acid-alizapride similarity", "source_label": "naringeninic-acid", "target_label": "alizapride", "cosine_similarity": 0.2000635862350464 } }, { "source": "CID:3180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "dyclonine-disopyramide similarity", "source_label": "dyclonine", "target_label": "disopyramide", "cosine_similarity": 0.1685998886823654 } }, { "source": "CID:1049140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "ST-4042556-temozolomide similarity", "source_label": "ST-4042556", "target_label": "temozolomide", "cosine_similarity": 0.2938570380210876 } }, { "source": "CID:230748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "INCA-6-CVF-SUMO-7 similarity", "source_label": "INCA-6", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.4617162048816681 } }, { "source": "CID:5503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "tolazamide-temozolomide similarity", "source_label": "tolazamide", "target_label": "temozolomide", "cosine_similarity": 0.4200911223888397 } }, { "source": "CID:54657953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "SA-1456195-SA-1459167 similarity", "source_label": "SA-1456195", "target_label": "SA-1459167", "cosine_similarity": 0.4274690747261047 } }, { "source": "CID:2094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "allopurinol-oxaprozin similarity", "source_label": "allopurinol", "target_label": "oxaprozin", "cosine_similarity": 0.319619208574295 } }, { "source": "CID:54596143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "TUL-XX023-BG-STK33-03 similarity", "source_label": "TUL-XX023", "target_label": "BG-STK33-03", "cosine_similarity": 0.6543061137199402 } }, { "source": "CID:135821878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "BJM-CSC-15-RJC-00245SC similarity", "source_label": "BJM-CSC-15", "target_label": "RJC-00245SC", "cosine_similarity": 0.5477836728096008 } }, { "source": "CID:6604381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "tyloxapol-RS-17053 similarity", "source_label": "tyloxapol", "target_label": "RS-17053", "cosine_similarity": 0.3825083673000335 } }, { "source": "CID:6419931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "methyl-hydantoin-nadolol similarity", "source_label": "methyl-hydantoin", "target_label": "nadolol", "cosine_similarity": 0.1992912590503692 } }, { "source": "CID:50878566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3325", "properties": { "id": "S-ruxolitinib-famotidine similarity", "source_label": "S-ruxolitinib", "target_label": "famotidine", "cosine_similarity": 0.2852710485458374 } }, { "source": "CID:2018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "actarit-alaproclate similarity", "source_label": "actarit", "target_label": "alaproclate", "cosine_similarity": 0.5462118983268738 } }, { "source": "CID:1780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "eicosatetraynoic-acid-MW-MITF9 similarity", "source_label": "eicosatetraynoic-acid", "target_label": "MW-MITF9", "cosine_similarity": 0.2844363451004028 } }, { "source": "CID:3038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "diclofenamide-UNC-0321 similarity", "source_label": "diclofenamide", "target_label": "UNC-0321", "cosine_similarity": 0.3275629580020904 } }, { "source": "CID:3976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "LY-83583-MW-MITF28 similarity", "source_label": "LY-83583", "target_label": "MW-MITF28", "cosine_similarity": 0.2706288993358612 } }, { "source": "CID:386331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4306", "properties": { "id": "quercetagetin-W-9 similarity", "source_label": "quercetagetin", "target_label": "W-9", "cosine_similarity": 0.1763776540756225 } }, { "source": "CID:49831257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "filgotinib-zaprinast similarity", "source_label": "filgotinib", "target_label": "zaprinast", "cosine_similarity": 0.3909891545772552 } }, { "source": "CID:11493598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "FR-180204-Gossypetin similarity", "source_label": "FR-180204", "target_label": "Gossypetin", "cosine_similarity": 0.3534374237060547 } }, { "source": "CID:5482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3314", "properties": { "id": "tioconazole-eugenol similarity", "source_label": "tioconazole", "target_label": "eugenol", "cosine_similarity": 0.425176054239273 } }, { "source": "CID:1830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "5-iodotubercidin-CGP-60474 similarity", "source_label": "5-iodotubercidin", "target_label": "CGP-60474", "cosine_similarity": 0.7323030829429626 } }, { "source": "CID:5475586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "BCI-hydrochloride-F-1566-0341 similarity", "source_label": "BCI-hydrochloride", "target_label": "F-1566-0341", "cosine_similarity": 0.7627924084663391 } }, { "source": "CID:6321414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "cefpodoxime-darinaparsin similarity", "source_label": "cefpodoxime", "target_label": "darinaparsin", "cosine_similarity": 0.2499981969594955 } }, { "source": "CID:45375953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "MLN-0128-AZD-8055 similarity", "source_label": "MLN-0128", "target_label": "AZD-8055", "cosine_similarity": 0.8924825191497803 } }, { "source": "CID:4296", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "TFMPP-SA-1939126 similarity", "source_label": "TFMPP", "target_label": "SA-1939126", "cosine_similarity": 0.2263579368591308 } }, { "source": "CID:59174488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843057", "properties": { "id": "AVL-292-GSK-2110183 similarity", "source_label": "AVL-292", "target_label": "GSK-2110183", "cosine_similarity": 0.4324468672275543 } }, { "source": "CID:5312557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2868392", "properties": { "id": "docosatrienoic-acid-NECA similarity", "source_label": "docosatrienoic-acid", "target_label": "NECA", "cosine_similarity": 0.2389982938766479 } }, { "source": "CID:104956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "SKF-96365-paclitaxel similarity", "source_label": "SKF-96365", "target_label": "paclitaxel", "cosine_similarity": 0.6558857560157776 } }, { "source": "CID:5468216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "RG-13022-GW-9508 similarity", "source_label": "RG-13022", "target_label": "GW-9508", "cosine_similarity": 0.2520767450332641 } }, { "source": "CID:5450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "thioperamide-PT-630 similarity", "source_label": "thioperamide", "target_label": "PT-630", "cosine_similarity": 0.3443593680858612 } }, { "source": "CID:60192328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186973", "properties": { "id": "SA-1938756-SA-1938111 similarity", "source_label": "SA-1938756", "target_label": "SA-1938111", "cosine_similarity": 0.4078101217746734 } }, { "source": "CID:56962336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "EPZ-004777-mepivacaine similarity", "source_label": "EPZ-004777", "target_label": "mepivacaine", "cosine_similarity": 0.3554890751838684 } }, { "source": "CID:44498186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SD-6-035-B1-JAS07-006 similarity", "source_label": "SD-6-035-B1", "target_label": "JAS07-006", "cosine_similarity": 0.2618221044540405 } }, { "source": "CID:88129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "valproxam-DAC-004 similarity", "source_label": "valproxam", "target_label": "DAC-004", "cosine_similarity": 0.2343428134918213 } }, { "source": "CID:54668348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-1922975-SA-427604 similarity", "source_label": "SA-1922975", "target_label": "SA-427604", "cosine_similarity": 0.3780705630779266 } }, { "source": "CID:446916", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "MDL-29951-amikacin similarity", "source_label": "MDL-29951", "target_label": "amikacin", "cosine_similarity": 0.4208772480487823 } }, { "source": "CID:11687907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "MSX-122-7-nitroindazole similarity", "source_label": "MSX-122", "target_label": "7-nitroindazole", "cosine_similarity": 0.190962940454483 } }, { "source": "CID:4195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "midodrine-rilmenidine similarity", "source_label": "midodrine", "target_label": "rilmenidine", "cosine_similarity": 0.2922242879867553 } }, { "source": "CID:49835860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "ST-4062971-K784-3187 similarity", "source_label": "ST-4062971", "target_label": "K784-3187", "cosine_similarity": 0.4790360629558563 } }, { "source": "CID:2267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11438771", "properties": { "id": "azelastine-basimglurant similarity", "source_label": "azelastine", "target_label": "basimglurant", "cosine_similarity": 0.3089205622673034 } }, { "source": "CID:5560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5701990", "properties": { "id": "trichlormethiazide-testosterone-propionate similarity", "source_label": "trichlormethiazide", "target_label": "testosterone-propionate", "cosine_similarity": 0.1769594550132751 } }, { "source": "CID:54658632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "SA-1456977-SA-423131 similarity", "source_label": "SA-1456977", "target_label": "SA-423131", "cosine_similarity": 0.2933719754219055 } }, { "source": "CID:446598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "clindamycin-ozagrel similarity", "source_label": "clindamycin", "target_label": "ozagrel", "cosine_similarity": 0.5094711184501648 } }, { "source": "CID:22121918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "TUL_XX087-MW-STK33-97 similarity", "source_label": "TUL_XX087", "target_label": "MW-STK33-97", "cosine_similarity": 0.5444560050964355 } }, { "source": "CID:44602405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12385463", "properties": { "id": "KU-C104132-KU-C103670 similarity", "source_label": "KU-C104132", "target_label": "KU-C103670", "cosine_similarity": 0.2108841389417648 } }, { "source": "CID:9458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29327", "properties": { "id": "triflusal-streptozotocin similarity", "source_label": "triflusal", "target_label": "streptozotocin", "cosine_similarity": 0.2128013521432876 } }, { "source": "CID:59768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "esmolol-actarit similarity", "source_label": "esmolol", "target_label": "actarit", "cosine_similarity": 0.4231387674808502 } }, { "source": "CID:3213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:237", "properties": { "id": "ellipticine-mepacrine similarity", "source_label": "ellipticine", "target_label": "mepacrine", "cosine_similarity": 0.5154632925987244 } }, { "source": "CID:15074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "isonicotinamide-parecoxib similarity", "source_label": "isonicotinamide", "target_label": "parecoxib", "cosine_similarity": 0.282754510641098 } }, { "source": "CID:460612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "melphalan-mitomycin-c similarity", "source_label": "melphalan", "target_label": "mitomycin-c", "cosine_similarity": 0.4502163231372833 } }, { "source": "CID:166558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44551660", "properties": { "id": "avasimibe-CP-466722 similarity", "source_label": "avasimibe", "target_label": "CP-466722", "cosine_similarity": 0.3939840495586395 } }, { "source": "CID:173614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "GR-144053-cefepime similarity", "source_label": "GR-144053", "target_label": "cefepime", "cosine_similarity": 0.3055340349674225 } }, { "source": "CID:135399748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "CHIR-124-AZD-5438 similarity", "source_label": "CHIR-124", "target_label": "AZD-5438", "cosine_similarity": 0.5219658017158508 } }, { "source": "CID:44502953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4178", "properties": { "id": "SD-6-035-B4-mexiletine similarity", "source_label": "SD-6-035-B4", "target_label": "mexiletine", "cosine_similarity": 0.2799538969993591 } }, { "source": "CID:4768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6449767", "properties": { "id": "phenoxybenzamine-arvanil similarity", "source_label": "phenoxybenzamine", "target_label": "arvanil", "cosine_similarity": 0.2584968209266662 } }, { "source": "CID:59588070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "JNK-9L-CGP-60474 similarity", "source_label": "JNK-9L", "target_label": "CGP-60474", "cosine_similarity": 0.6237746477127075 } }, { "source": "CID:135999136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "AT-CSC-18-sorafenib similarity", "source_label": "AT-CSC-18", "target_label": "sorafenib", "cosine_similarity": 0.4272735118865967 } }, { "source": "CID:4277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "dicyclohexylurea-Gly-Gly-PALO similarity", "source_label": "dicyclohexylurea", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2000717520713806 } }, { "source": "CID:44500998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "SA-245650-Gossypetin similarity", "source_label": "SA-245650", "target_label": "Gossypetin", "cosine_similarity": 0.3298400640487671 } }, { "source": "CID:24794418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "BMS-777607-JNJ-38877605 similarity", "source_label": "BMS-777607", "target_label": "JNJ-38877605", "cosine_similarity": 0.374251127243042 } }, { "source": "CID:44564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "lodoxamide-mirtazapine similarity", "source_label": "lodoxamide", "target_label": "mirtazapine", "cosine_similarity": 0.4853731393814087 } }, { "source": "CID:5702003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "mitomycin-c-gemcitabine similarity", "source_label": "mitomycin-c", "target_label": "gemcitabine", "cosine_similarity": 0.776838481426239 } }, { "source": "CID:7048624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281743", "properties": { "id": "cefazolin-retrorsine similarity", "source_label": "cefazolin", "target_label": "retrorsine", "cosine_similarity": 0.2262265384197235 } }, { "source": "CID:45006141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "pregnenolone-succinate-herniarin similarity", "source_label": "pregnenolone-succinate", "target_label": "herniarin", "cosine_similarity": 0.3263841867446899 } }, { "source": "CID:23919058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "tyrphostin-B44-DAC-004 similarity", "source_label": "tyrphostin-B44", "target_label": "DAC-004", "cosine_similarity": 0.3142898678779602 } }, { "source": "CID:53465279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "lesinurad-perindopril similarity", "source_label": "lesinurad", "target_label": "perindopril", "cosine_similarity": 0.4593256115913391 } }, { "source": "CID:4970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "protopine-ARG-TC-41 similarity", "source_label": "protopine", "target_label": "ARG-TC-41", "cosine_similarity": 0.2789661586284637 } }, { "source": "CID:3334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "fenbendazole-KX-2391 similarity", "source_label": "fenbendazole", "target_label": "KX-2391", "cosine_similarity": 0.6570340991020203 } }, { "source": "CID:4060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "mephenytoin-ST-059620 similarity", "source_label": "mephenytoin", "target_label": "ST-059620", "cosine_similarity": 0.235829696059227 } }, { "source": "CID:56655374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9934347", "properties": { "id": "HG-14-10-04-NVP-TAE226 similarity", "source_label": "HG-14-10-04", "target_label": "NVP-TAE226", "cosine_similarity": 0.6473925709724426 } }, { "source": "CID:3955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "loperamide-vandetanib similarity", "source_label": "loperamide", "target_label": "vandetanib", "cosine_similarity": 0.594821035861969 } }, { "source": "CID:129009963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "cabazitaxel-docetaxel similarity", "source_label": "cabazitaxel", "target_label": "docetaxel", "cosine_similarity": 0.8941783905029297 } }, { "source": "CID:9419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "dibenzepin-FTI-276 similarity", "source_label": "dibenzepin", "target_label": "FTI-276", "cosine_similarity": 0.2361218929290771 } }, { "source": "CID:56649450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "alpelisib-taselisib similarity", "source_label": "alpelisib", "target_label": "taselisib", "cosine_similarity": 0.4958942532539367 } }, { "source": "CID:123619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446598", "properties": { "id": "etoricoxib-clindamycin similarity", "source_label": "etoricoxib", "target_label": "clindamycin", "cosine_similarity": 0.4010350704193115 } }, { "source": "CID:67361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "thiomersal-EMF-sumo1-39 similarity", "source_label": "thiomersal", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.3098856210708618 } }, { "source": "CID:5278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "ponalrestat-alda-1 similarity", "source_label": "ponalrestat", "target_label": "alda-1", "cosine_similarity": 0.2903309166431427 } }, { "source": "CID:11228183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "ABT-737-cyclosporin-a similarity", "source_label": "ABT-737", "target_label": "cyclosporin-a", "cosine_similarity": 0.6163434386253357 } }, { "source": "CID:114829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "MF-101-tiapride similarity", "source_label": "MF-101", "target_label": "tiapride", "cosine_similarity": 0.2490157634019851 } }, { "source": "CID:15984937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "camicinal-granisetron similarity", "source_label": "camicinal", "target_label": "granisetron", "cosine_similarity": 0.5706178545951843 } }, { "source": "CID:5374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "talipexole-PT-630 similarity", "source_label": "talipexole", "target_label": "PT-630", "cosine_similarity": 0.2446487545967102 } }, { "source": "CID:54657712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502756", "properties": { "id": "SA-1457945-SA-102695 similarity", "source_label": "SA-1457945", "target_label": "SA-102695", "cosine_similarity": 0.202443465590477 } }, { "source": "CID:1989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "acetohexamide-coumarin similarity", "source_label": "acetohexamide", "target_label": "coumarin", "cosine_similarity": 0.1927158087491989 } }, { "source": "CID:6914273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "dantrolene-lacosamide similarity", "source_label": "dantrolene", "target_label": "lacosamide", "cosine_similarity": 0.4472497105598449 } }, { "source": "CID:6604780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "ZD-7114-arbutin similarity", "source_label": "ZD-7114", "target_label": "arbutin", "cosine_similarity": 0.313410073518753 } }, { "source": "CID:50878566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "S-ruxolitinib-efavirenz similarity", "source_label": "S-ruxolitinib", "target_label": "efavirenz", "cosine_similarity": 0.2742304801940918 } }, { "source": "CID:4708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "PD-168393-MEK-162 similarity", "source_label": "PD-168393", "target_label": "MEK-162", "cosine_similarity": 0.5406123995780945 } }, { "source": "CID:4174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9883029", "properties": { "id": "metyrapone-orteronel similarity", "source_label": "metyrapone", "target_label": "orteronel", "cosine_similarity": 0.2892400026321411 } }, { "source": "CID:3634881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119032", "properties": { "id": "CCT036477-NO-ASA similarity", "source_label": "CCT036477", "target_label": "NO-ASA", "cosine_similarity": 0.3791789710521698 } }, { "source": "CID:44490269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54616417", "properties": { "id": "SA-102787-SA-424755 similarity", "source_label": "SA-102787", "target_label": "SA-424755", "cosine_similarity": 0.3223665654659271 } }, { "source": "CID:9982218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "NTNCB-FIT similarity", "source_label": "NTNCB", "target_label": "FIT", "cosine_similarity": 0.6940785646438599 } }, { "source": "CID:10252734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "GP-1a-oncrasin-1 similarity", "source_label": "GP-1a", "target_label": "oncrasin-1", "cosine_similarity": 0.2121167033910751 } }, { "source": "CID:1088438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483393", "properties": { "id": "ML-130-SA-85901 similarity", "source_label": "ML-130", "target_label": "SA-85901", "cosine_similarity": 0.2989882528781891 } }, { "source": "CID:1794427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3011155", "properties": { "id": "chlorogenic-acid-nelarabine similarity", "source_label": "chlorogenic-acid", "target_label": "nelarabine", "cosine_similarity": 0.2334559112787246 } }, { "source": "CID:9953769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "RS-504393-atorvastatin similarity", "source_label": "RS-504393", "target_label": "atorvastatin", "cosine_similarity": 0.5002660751342773 } }, { "source": "CID:5312111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "NF-449-marbofloxacin similarity", "source_label": "NF-449", "target_label": "marbofloxacin", "cosine_similarity": 0.4923868477344513 } }, { "source": "CID:3291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "ethosuximide-fumonisin-b1 similarity", "source_label": "ethosuximide", "target_label": "fumonisin-b1", "cosine_similarity": 0.2000836133956909 } }, { "source": "CID:15331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "daminozide-GSK-J2 similarity", "source_label": "daminozide", "target_label": "GSK-J2", "cosine_similarity": 0.4945415258407593 } }, { "source": "CID:44489582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-89210-SA-1456625 similarity", "source_label": "SA-89210", "target_label": "SA-1456625", "cosine_similarity": 0.2543206512928009 } }, { "source": "CID:5228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "SKF-86002-clobetasol similarity", "source_label": "SKF-86002", "target_label": "clobetasol", "cosine_similarity": 0.3062783181667328 } }, { "source": "CID:56949517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3932", "properties": { "id": "GSK-2636771-linopirdine similarity", "source_label": "GSK-2636771", "target_label": "linopirdine", "cosine_similarity": 0.4248614013195038 } }, { "source": "CID:44182295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "refametinib-TAK-733 similarity", "source_label": "refametinib", "target_label": "TAK-733", "cosine_similarity": 0.7836212515830994 } }, { "source": "CID:5311042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "CGP-55845-PT-630 similarity", "source_label": "CGP-55845", "target_label": "PT-630", "cosine_similarity": 0.3304690718650818 } }, { "source": "CID:5573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "trimebutine-clofibric-acid similarity", "source_label": "trimebutine", "target_label": "clofibric-acid", "cosine_similarity": 0.4067108929157257 } }, { "source": "CID:3472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "gimeracil-ICI-162846 similarity", "source_label": "gimeracil", "target_label": "ICI-162846", "cosine_similarity": 0.5698217749595642 } }, { "source": "CID:46172903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "VU-0418000-1-fluspirilene similarity", "source_label": "VU-0418000-1", "target_label": "fluspirilene", "cosine_similarity": 0.307561457157135 } }, { "source": "CID:174174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "atropine-proxyphylline similarity", "source_label": "atropine", "target_label": "proxyphylline", "cosine_similarity": 0.3224755525588989 } }, { "source": "CID:46861623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "AZD-9668-rilmenidine similarity", "source_label": "AZD-9668", "target_label": "rilmenidine", "cosine_similarity": 0.3635753393173218 } }, { "source": "CID:68827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "artemisinin-furazolidone similarity", "source_label": "artemisinin", "target_label": "furazolidone", "cosine_similarity": 0.244721844792366 } }, { "source": "CID:73707439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "YL-55-DAC-004 similarity", "source_label": "YL-55", "target_label": "DAC-004", "cosine_similarity": 0.2229742258787155 } }, { "source": "CID:5281884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "valspodar-tyrphostin-A9 similarity", "source_label": "valspodar", "target_label": "tyrphostin-A9", "cosine_similarity": 0.3466167449951172 } }, { "source": "CID:442912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707378", "properties": { "id": "hydroquinidine-triacsin-c similarity", "source_label": "hydroquinidine", "target_label": "triacsin-c", "cosine_similarity": 0.2298913747072219 } }, { "source": "CID:3125011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "MW-A1-2-BMS-641988 similarity", "source_label": "MW-A1-2", "target_label": "BMS-641988", "cosine_similarity": 0.2443045675754547 } }, { "source": "CID:25033539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262792", "properties": { "id": "PF-04691502-AZD-2014 similarity", "source_label": "PF-04691502", "target_label": "AZD-2014", "cosine_similarity": 0.7452592849731445 } }, { "source": "CID:4212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41867", "properties": { "id": "mitoxantrone-epirubicin similarity", "source_label": "mitoxantrone", "target_label": "epirubicin", "cosine_similarity": 0.7549594640731812 } }, { "source": "CID:25105715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "CAY-10594-sertraline similarity", "source_label": "CAY-10594", "target_label": "sertraline", "cosine_similarity": 0.8102301359176636 } }, { "source": "CID:42623900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "QS-11-ZM-336372 similarity", "source_label": "QS-11", "target_label": "ZM-336372", "cosine_similarity": 0.488733559846878 } }, { "source": "CID:51003717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3816756", "properties": { "id": "CVF-SUMO-13-AT-SUMO-1 similarity", "source_label": "CVF-SUMO-13", "target_label": "AT-SUMO-1", "cosine_similarity": 0.6096439957618713 } }, { "source": "CID:9966051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "vortioxetine-dorzolamide similarity", "source_label": "vortioxetine", "target_label": "dorzolamide", "cosine_similarity": 0.488184243440628 } }, { "source": "CID:6843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "propoxycaine-myricetin similarity", "source_label": "propoxycaine", "target_label": "myricetin", "cosine_similarity": 0.3427680134773254 } }, { "source": "CID:44205240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "baricitinib-GW-5074 similarity", "source_label": "baricitinib", "target_label": "GW-5074", "cosine_similarity": 0.3619765937328338 } }, { "source": "CID:2126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "AM-580-AC-55649 similarity", "source_label": "AM-580", "target_label": "AC-55649", "cosine_similarity": 0.4295606613159179 } }, { "source": "CID:688272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "levosulpiride-PT-630 similarity", "source_label": "levosulpiride", "target_label": "PT-630", "cosine_similarity": 0.4753681421279907 } }, { "source": "CID:54613931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-441412-SA-244358 similarity", "source_label": "SA-441412", "target_label": "SA-244358", "cosine_similarity": 0.3187061846256256 } }, { "source": "CID:3532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25019940", "properties": { "id": "guvacine-MK-3207 similarity", "source_label": "guvacine", "target_label": "MK-3207", "cosine_similarity": 0.3420976400375366 } }, { "source": "CID:44618017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190124", "properties": { "id": "SA-427137-SA-1939007 similarity", "source_label": "SA-427137", "target_label": "SA-1939007", "cosine_similarity": 0.2972418367862701 } }, { "source": "CID:5311181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "iloprost-PT-630 similarity", "source_label": "iloprost", "target_label": "PT-630", "cosine_similarity": 0.2617542147636413 } }, { "source": "CID:54668813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494000", "properties": { "id": "SA-1921816-SA-243423 similarity", "source_label": "SA-1921816", "target_label": "SA-243423", "cosine_similarity": 0.3508587777614593 } }, { "source": "CID:69923936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "JW-7-24-1-wortmannin similarity", "source_label": "JW-7-24-1", "target_label": "wortmannin", "cosine_similarity": 0.4519369602203369 } }, { "source": "CID:4450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:198693", "properties": { "id": "nefopam-CI-966 similarity", "source_label": "nefopam", "target_label": "CI-966", "cosine_similarity": 0.3601387739181518 } }, { "source": "CID:644241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "nilotinib-pazopanib similarity", "source_label": "nilotinib", "target_label": "pazopanib", "cosine_similarity": 0.3689783811569214 } }, { "source": "CID:299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "kepone-cercosporin similarity", "source_label": "kepone", "target_label": "cercosporin", "cosine_similarity": 0.2825772166252136 } }, { "source": "CID:447905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "GW-3965-amikacin similarity", "source_label": "GW-3965", "target_label": "amikacin", "cosine_similarity": 0.3875099718570709 } }, { "source": "CID:3906894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119565", "properties": { "id": "WAY-161503-l-bso similarity", "source_label": "WAY-161503", "target_label": "l-bso", "cosine_similarity": 0.2746513783931732 } }, { "source": "CID:3724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4075", "properties": { "id": "iodixanol-mesalazine similarity", "source_label": "iodixanol", "target_label": "mesalazine", "cosine_similarity": 0.2491929680109024 } }, { "source": "CID:6419747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "SYK-inhibitor-ponatinib similarity", "source_label": "SYK-inhibitor", "target_label": "ponatinib", "cosine_similarity": 0.3738605380058288 } }, { "source": "CID:16667722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "acadesine-honokiol similarity", "source_label": "acadesine", "target_label": "honokiol", "cosine_similarity": 0.3673701882362366 } }, { "source": "CID:24094187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "UGISS-451-I-505056 similarity", "source_label": "UGISS-451", "target_label": "I-505056", "cosine_similarity": 0.3703419268131256 } }, { "source": "CID:2375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "bicalutamide-dapivirine similarity", "source_label": "bicalutamide", "target_label": "dapivirine", "cosine_similarity": 0.5382869839668274 } }, { "source": "CID:11978813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62959", "properties": { "id": "brexpiprazole-trovafloxacin similarity", "source_label": "brexpiprazole", "target_label": "trovafloxacin", "cosine_similarity": 0.4224044680595398 } }, { "source": "CID:6446335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "BG-FA-0953-RS-I-002-6 similarity", "source_label": "BG-FA-0953", "target_label": "RS-I-002-6", "cosine_similarity": 0.7028274536132812 } }, { "source": "CID:938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "niacin-carglumic-acid similarity", "source_label": "niacin", "target_label": "carglumic-acid", "cosine_similarity": 0.4603323340415954 } }, { "source": "CID:2726824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "XAV-939-SA-423131 similarity", "source_label": "XAV-939", "target_label": "SA-423131", "cosine_similarity": 0.4018950760364532 } }, { "source": "CID:13738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "oxolamine-butylated-hydroxytoluene similarity", "source_label": "oxolamine", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.2571500539779663 } }, { "source": "CID:19001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10311918", "properties": { "id": "dithiothreitol-CTPB similarity", "source_label": "dithiothreitol", "target_label": "CTPB", "cosine_similarity": 0.295572966337204 } }, { "source": "CID:11364421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "BI-2536-bromosporine similarity", "source_label": "BI-2536", "target_label": "bromosporine", "cosine_similarity": 0.6922469735145569 } }, { "source": "CID:49843099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "SA-441350-SA-1457810 similarity", "source_label": "SA-441350", "target_label": "SA-1457810", "cosine_similarity": 0.262423038482666 } }, { "source": "CID:2888950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "MW-A1-6-PLX-4720 similarity", "source_label": "MW-A1-6", "target_label": "PLX-4720", "cosine_similarity": 0.2130168676376342 } }, { "source": "CID:4578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "O6-benzylguanine-luliconazole similarity", "source_label": "O6-benzylguanine", "target_label": "luliconazole", "cosine_similarity": 0.3235799968242645 } }, { "source": "CID:21874557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446916", "properties": { "id": "vipadenant-MDL-29951 similarity", "source_label": "vipadenant", "target_label": "MDL-29951", "cosine_similarity": 0.2933357059955597 } }, { "source": "CID:2662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10947895", "properties": { "id": "celecoxib-paroxetine similarity", "source_label": "celecoxib", "target_label": "paroxetine", "cosine_similarity": 0.5708789825439453 } }, { "source": "CID:54613929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "SA-243276-genipin similarity", "source_label": "SA-243276", "target_label": "genipin", "cosine_similarity": 0.2683760821819305 } }, { "source": "CID:2662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "celecoxib-dexamethasone similarity", "source_label": "celecoxib", "target_label": "dexamethasone", "cosine_similarity": 0.6789988279342651 } }, { "source": "CID:54658205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507307", "properties": { "id": "SA-1456102-SA-247654 similarity", "source_label": "SA-1456102", "target_label": "SA-247654", "cosine_similarity": 0.2474716752767563 } }, { "source": "CID:60860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "iobenguane-UB-165 similarity", "source_label": "iobenguane", "target_label": "UB-165", "cosine_similarity": 0.3173655867576599 } }, { "source": "CID:10783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "clomethiazole-iguratimod similarity", "source_label": "clomethiazole", "target_label": "iguratimod", "cosine_similarity": 0.3328033685684204 } }, { "source": "CID:3009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33625", "properties": { "id": "eflornithine-indoramin similarity", "source_label": "eflornithine", "target_label": "indoramin", "cosine_similarity": 0.2507683634757995 } }, { "source": "CID:9884817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44496365", "properties": { "id": "GR-79236-SA-243929 similarity", "source_label": "GR-79236", "target_label": "SA-243929", "cosine_similarity": 0.2840126156806946 } }, { "source": "CID:1354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "m-chlorophenylbiguanide-tubocurarine similarity", "source_label": "m-chlorophenylbiguanide", "target_label": "tubocurarine", "cosine_similarity": 0.24936144053936 } }, { "source": "CID:44473128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "KU-C103672-alosetron similarity", "source_label": "KU-C103672", "target_label": "alosetron", "cosine_similarity": 0.3288061022758484 } }, { "source": "CID:24857885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "PTB1-DL-TBOA similarity", "source_label": "PTB1", "target_label": "DL-TBOA", "cosine_similarity": 0.6083766222000122 } }, { "source": "CID:3344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "fenspiride-cephalothin similarity", "source_label": "fenspiride", "target_label": "cephalothin", "cosine_similarity": 0.4482186734676361 } }, { "source": "CID:16758175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9829523", "properties": { "id": "acivicin-midostaurin similarity", "source_label": "acivicin", "target_label": "midostaurin", "cosine_similarity": 0.369023710489273 } }, { "source": "CID:6604887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "Ro-25-6981-selinidin similarity", "source_label": "Ro-25-6981", "target_label": "selinidin", "cosine_similarity": 0.2306147068738937 } }, { "source": "CID:2519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "caffeine-tasquinimod similarity", "source_label": "caffeine", "target_label": "tasquinimod", "cosine_similarity": 0.3223670423030853 } }, { "source": "CID:7172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "synephrine-phenoxazine similarity", "source_label": "synephrine", "target_label": "phenoxazine", "cosine_similarity": 0.3057370185852051 } }, { "source": "CID:689043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "caffeic-acid-SKI-II similarity", "source_label": "caffeic-acid", "target_label": "SKI-II", "cosine_similarity": 0.629657506942749 } }, { "source": "CID:237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "mepacrine-doxorubicin similarity", "source_label": "mepacrine", "target_label": "doxorubicin", "cosine_similarity": 0.4325367212295532 } }, { "source": "CID:44484225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668959", "properties": { "id": "SA-90030-SA-1919710 similarity", "source_label": "SA-90030", "target_label": "SA-1919710", "cosine_similarity": 0.2985696494579315 } }, { "source": "CID:56208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707600", "properties": { "id": "sarafloxacin-APEC similarity", "source_label": "sarafloxacin", "target_label": "APEC", "cosine_similarity": 0.2403732538223266 } }, { "source": "CID:24737642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159269", "properties": { "id": "LCL-161-telbivudine similarity", "source_label": "LCL-161", "target_label": "telbivudine", "cosine_similarity": 0.475631445646286 } }, { "source": "CID:4723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "pemoline-GW-501516 similarity", "source_label": "pemoline", "target_label": "GW-501516", "cosine_similarity": 0.3243880867958069 } }, { "source": "CID:5280953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "harmine-amisulpride similarity", "source_label": "harmine", "target_label": "amisulpride", "cosine_similarity": 0.4946163594722748 } }, { "source": "CID:44489675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3953", "properties": { "id": "EMF-BCA1-57-lonidamine similarity", "source_label": "EMF-BCA1-57", "target_label": "lonidamine", "cosine_similarity": 0.2831195294857025 } }, { "source": "CID:414684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "ephedrine-dropropizine similarity", "source_label": "ephedrine", "target_label": "dropropizine", "cosine_similarity": 0.2422074526548385 } }, { "source": "CID:8215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "AGP-103-AZD-7687 similarity", "source_label": "AGP-103", "target_label": "AZD-7687", "cosine_similarity": 0.3020221889019012 } }, { "source": "CID:108001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "dihydroxyphenylglycine-gliclazide similarity", "source_label": "dihydroxyphenylglycine", "target_label": "gliclazide", "cosine_similarity": 0.3153911828994751 } }, { "source": "CID:5926218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330535", "properties": { "id": "RG-14620-D-64406 similarity", "source_label": "RG-14620", "target_label": "D-64406", "cosine_similarity": 0.2650694549083709 } }, { "source": "CID:4495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "nimesulide-rizatriptan similarity", "source_label": "nimesulide", "target_label": "rizatriptan", "cosine_similarity": 0.3787005841732025 } }, { "source": "CID:23725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "psoromic-acid-NF-449 similarity", "source_label": "psoromic-acid", "target_label": "NF-449", "cosine_similarity": 0.238394409418106 } }, { "source": "CID:54654478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "SA-1472548-fisetin similarity", "source_label": "SA-1472548", "target_label": "fisetin", "cosine_similarity": 0.2521913349628448 } }, { "source": "CID:4970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2520", "properties": { "id": "protopine-verapamil similarity", "source_label": "protopine", "target_label": "verapamil", "cosine_similarity": 0.2493915855884552 } }, { "source": "CID:65015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "plerixafor-dinoprost similarity", "source_label": "plerixafor", "target_label": "dinoprost", "cosine_similarity": 0.3003988265991211 } }, { "source": "CID:3616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "hexamethylenebisacetamide-alaproclate similarity", "source_label": "hexamethylenebisacetamide", "target_label": "alaproclate", "cosine_similarity": 0.2434336394071579 } }, { "source": "CID:9903757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "BAY-36-7620-TCPOBOP similarity", "source_label": "BAY-36-7620", "target_label": "TCPOBOP", "cosine_similarity": 0.1946769654750824 } }, { "source": "CID:90488984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72201027", "properties": { "id": "I-CBP112-SGC-CBP30 similarity", "source_label": "I-CBP112", "target_label": "SGC-CBP30", "cosine_similarity": 0.2156421095132827 } }, { "source": "CID:2878746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "STK-064652-losartan similarity", "source_label": "STK-064652", "target_label": "losartan", "cosine_similarity": 0.3382401168346405 } }, { "source": "CID:6839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "phensuximide-LY-2886721 similarity", "source_label": "phensuximide", "target_label": "LY-2886721", "cosine_similarity": 0.440890222787857 } }, { "source": "CID:4543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60663", "properties": { "id": "nortriptyline-mibefradil similarity", "source_label": "nortriptyline", "target_label": "mibefradil", "cosine_similarity": 0.4363579154014587 } }, { "source": "CID:5850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "pentolinium-coumarin similarity", "source_label": "pentolinium", "target_label": "coumarin", "cosine_similarity": 0.1943794339895248 } }, { "source": "CID:4898145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "EMF-sumo1-9-FTI-276 similarity", "source_label": "EMF-sumo1-9", "target_label": "FTI-276", "cosine_similarity": 0.2230574786663055 } }, { "source": "CID:11984561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65781", "properties": { "id": "TH-302-ecabet similarity", "source_label": "TH-302", "target_label": "ecabet", "cosine_similarity": 0.3081530034542084 } }, { "source": "CID:5362440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "indinavir-dienestrol similarity", "source_label": "indinavir", "target_label": "dienestrol", "cosine_similarity": 0.4602403044700622 } }, { "source": "CID:53302361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "HG-6-64-01-ponatinib similarity", "source_label": "HG-6-64-01", "target_label": "ponatinib", "cosine_similarity": 0.6603660583496094 } }, { "source": "CID:60769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "MDL-73005EF-sumatriptan similarity", "source_label": "MDL-73005EF", "target_label": "sumatriptan", "cosine_similarity": 0.4933405816555023 } }, { "source": "CID:73707537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918638", "properties": { "id": "BG-1008-belinostat similarity", "source_label": "BG-1008", "target_label": "belinostat", "cosine_similarity": 0.4962110519409179 } }, { "source": "CID:12801781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2663", "properties": { "id": "imipenem-celiprolol similarity", "source_label": "imipenem", "target_label": "celiprolol", "cosine_similarity": 0.2552382946014404 } }, { "source": "CID:72301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11326715", "properties": { "id": "rotundine-ostarine similarity", "source_label": "rotundine", "target_label": "ostarine", "cosine_similarity": 0.5088093280792236 } }, { "source": "CID:44224257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "filanesib-paclitaxel similarity", "source_label": "filanesib", "target_label": "paclitaxel", "cosine_similarity": 0.7393207550048828 } }, { "source": "CID:44483268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "hydroquinine-proxyphylline similarity", "source_label": "hydroquinine", "target_label": "proxyphylline", "cosine_similarity": 0.2413887977600097 } }, { "source": "CID:44629742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "KU-C104250-epicatechin similarity", "source_label": "KU-C104250", "target_label": "epicatechin", "cosine_similarity": 0.2957241833209991 } }, { "source": "CID:6710622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281040", "properties": { "id": "bicuculline-montelukast similarity", "source_label": "bicuculline", "target_label": "montelukast", "cosine_similarity": 0.2949779331684112 } }, { "source": "CID:67243342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "TUL-XIX029-phenoxazine similarity", "source_label": "TUL-XIX029", "target_label": "phenoxazine", "cosine_similarity": 0.3038656413555145 } }, { "source": "CID:89683805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71226662", "properties": { "id": "enasidenib-acalabrutinib similarity", "source_label": "enasidenib", "target_label": "acalabrutinib", "cosine_similarity": 0.1863238960504531 } }, { "source": "CID:44129591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1505783", "properties": { "id": "VU-0366968-STK-661558 similarity", "source_label": "VU-0366968", "target_label": "STK-661558", "cosine_similarity": 0.2677706480026245 } }, { "source": "CID:176158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "SB-216763-CHIR-99021 similarity", "source_label": "SB-216763", "target_label": "CHIR-99021", "cosine_similarity": 0.7723913192749023 } }, { "source": "CID:7972413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282379", "properties": { "id": "KB188-III-56-isotretinoin similarity", "source_label": "KB188-III-56", "target_label": "isotretinoin", "cosine_similarity": 0.2877242565155029 } }, { "source": "CID:91486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3760", "properties": { "id": "safingol-isoconazole similarity", "source_label": "safingol", "target_label": "isoconazole", "cosine_similarity": 0.3211468756198883 } }, { "source": "CID:447912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "T-0901317-KU-C104140 similarity", "source_label": "T-0901317", "target_label": "KU-C104140", "cosine_similarity": 0.3249318599700928 } }, { "source": "CID:7028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "pseudoephedrine-fumonisin-b1 similarity", "source_label": "pseudoephedrine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2843160629272461 } }, { "source": "CID:6604822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288209", "properties": { "id": "AM-404-fenretinide similarity", "source_label": "AM-404", "target_label": "fenretinide", "cosine_similarity": 0.2110649794340133 } }, { "source": "CID:3360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "floctafenine-AICA-ribonucleotide similarity", "source_label": "floctafenine", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2099660336971283 } }, { "source": "CID:54666572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "SA-1921617-ZM-336372 similarity", "source_label": "SA-1921617", "target_label": "ZM-336372", "cosine_similarity": 0.2293062061071396 } }, { "source": "CID:5090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "rofecoxib-minoxidil similarity", "source_label": "rofecoxib", "target_label": "minoxidil", "cosine_similarity": 0.276626318693161 } }, { "source": "CID:54657707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-1459291-SA-419090 similarity", "source_label": "SA-1459291", "target_label": "SA-419090", "cosine_similarity": 0.3219981491565704 } }, { "source": "CID:18755269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "SDZ-WAG-994-GW-501516 similarity", "source_label": "SDZ-WAG-994", "target_label": "GW-501516", "cosine_similarity": 0.2353529334068298 } }, { "source": "CID:4084010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25226483", "properties": { "id": "EMF-sumo1-1-HG-5-113-01 similarity", "source_label": "EMF-sumo1-1", "target_label": "HG-5-113-01", "cosine_similarity": 0.3306451737880707 } }, { "source": "CID:16720766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "MLN-4924-ixazomib similarity", "source_label": "MLN-4924", "target_label": "ixazomib", "cosine_similarity": 0.5013421773910522 } }, { "source": "CID:1607628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003717", "properties": { "id": "EMF-sumo1-3-CVF-SUMO-13 similarity", "source_label": "EMF-sumo1-3", "target_label": "CVF-SUMO-13", "cosine_similarity": 0.4257401525974273 } }, { "source": "CID:3611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "hinokitiol-VU-0410183-2 similarity", "source_label": "hinokitiol", "target_label": "VU-0410183-2", "cosine_similarity": 0.6156405210494995 } }, { "source": "CID:119373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "elacridar-ceritinib similarity", "source_label": "elacridar", "target_label": "ceritinib", "cosine_similarity": 0.2878895401954651 } }, { "source": "CID:9839842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "MAZ-51-NMS-1286937 similarity", "source_label": "MAZ-51", "target_label": "NMS-1286937", "cosine_similarity": 0.386776328086853 } }, { "source": "CID:6918537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70882", "properties": { "id": "vildagliptin-moxaverine similarity", "source_label": "vildagliptin", "target_label": "moxaverine", "cosine_similarity": 0.3995923399925232 } }, { "source": "CID:73010930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "GSK-2801-PJ-34 similarity", "source_label": "GSK-2801", "target_label": "PJ-34", "cosine_similarity": 0.2796445786952972 } }, { "source": "CID:3064778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "hydroxyfasudil-JAS07-006 similarity", "source_label": "hydroxyfasudil", "target_label": "JAS07-006", "cosine_similarity": 0.2954069674015045 } }, { "source": "CID:53472153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "PF-4800567-TAK-715 similarity", "source_label": "PF-4800567", "target_label": "TAK-715", "cosine_similarity": 0.2123882472515106 } }, { "source": "CID:14187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "ST-1859-honokiol similarity", "source_label": "ST-1859", "target_label": "honokiol", "cosine_similarity": 0.4398851096630096 } }, { "source": "CID:10074640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "masitinib-tetrandrine similarity", "source_label": "masitinib", "target_label": "tetrandrine", "cosine_similarity": 0.5160013437271118 } }, { "source": "CID:44500706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "SA-97259-U-18666A similarity", "source_label": "SA-97259", "target_label": "U-18666A", "cosine_similarity": 0.2916744649410248 } }, { "source": "CID:4199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33572", "properties": { "id": "minaprine-ritodrine similarity", "source_label": "minaprine", "target_label": "ritodrine", "cosine_similarity": 0.3058074414730072 } }, { "source": "CID:24747272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "PSH-023-SMER-28 similarity", "source_label": "PSH-023", "target_label": "SMER-28", "cosine_similarity": 0.2580093145370483 } }, { "source": "CID:45259137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "VU-0415011-meropenem similarity", "source_label": "VU-0415011", "target_label": "meropenem", "cosine_similarity": 0.281769335269928 } }, { "source": "CID:44629410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "ARG-TC-41-HO-013 similarity", "source_label": "ARG-TC-41", "target_label": "HO-013", "cosine_similarity": 0.358927458524704 } }, { "source": "CID:3550807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:260972", "properties": { "id": "EMF-sumo1-7-EMF-sumo1-8 similarity", "source_label": "EMF-sumo1-7", "target_label": "EMF-sumo1-8", "cosine_similarity": 0.239369735121727 } }, { "source": "CID:65944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121891", "properties": { "id": "pidotimod-mitiglinide similarity", "source_label": "pidotimod", "target_label": "mitiglinide", "cosine_similarity": 0.3712071776390075 } }, { "source": "CID:10474339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "BMS-191011-ASN-05257430 similarity", "source_label": "BMS-191011", "target_label": "ASN-05257430", "cosine_similarity": 0.5657726526260376 } }, { "source": "CID:720272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ST-012015-gossypin similarity", "source_label": "ST-012015", "target_label": "gossypin", "cosine_similarity": 0.357776015996933 } }, { "source": "CID:409805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "NSC-23766-7-nitroindazole similarity", "source_label": "NSC-23766", "target_label": "7-nitroindazole", "cosine_similarity": 0.5028756260871887 } }, { "source": "CID:23236067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "flunisolide-flumetasone similarity", "source_label": "flunisolide", "target_label": "flumetasone", "cosine_similarity": 0.4732381403446197 } }, { "source": "CID:57519544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:398148", "properties": { "id": "wnt-c59-NU-6027 similarity", "source_label": "wnt-c59", "target_label": "NU-6027", "cosine_similarity": 0.3682564496994018 } }, { "source": "CID:46925839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5153532", "properties": { "id": "SD-6-035-A4-BG-1021 similarity", "source_label": "SD-6-035-A4", "target_label": "BG-1021", "cosine_similarity": 0.194386139512062 } }, { "source": "CID:1505784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "SJB-AF-2-KU-C104140 similarity", "source_label": "SJB-AF-2", "target_label": "KU-C104140", "cosine_similarity": 0.3040281534194946 } }, { "source": "CID:656717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6249", "properties": { "id": "IAA-94-ampicillin similarity", "source_label": "IAA-94", "target_label": "ampicillin", "cosine_similarity": 0.1965203136205673 } }, { "source": "CID:46883536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3702", "properties": { "id": "avagacestat-indapamide similarity", "source_label": "avagacestat", "target_label": "indapamide", "cosine_similarity": 0.3508980572223663 } }, { "source": "CID:10748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "herniarin-6-hydroxytropinone similarity", "source_label": "herniarin", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.3502895832061767 } }, { "source": "CID:107930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280881", "properties": { "id": "ecopipam-prostaglandin-b2 similarity", "source_label": "ecopipam", "target_label": "prostaglandin-b2", "cosine_similarity": 0.2539025545120239 } }, { "source": "CID:7211972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5419", "properties": { "id": "VU-0240551-tetryzoline similarity", "source_label": "VU-0240551", "target_label": "tetryzoline", "cosine_similarity": 0.2435427755117416 } }, { "source": "CID:10219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "emetine-narciclasine similarity", "source_label": "emetine", "target_label": "narciclasine", "cosine_similarity": 0.7648284435272217 } }, { "source": "CID:5702095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4684627", "properties": { "id": "noretynodrel-RWJ-21757 similarity", "source_label": "noretynodrel", "target_label": "RWJ-21757", "cosine_similarity": 0.2405368834733963 } }, { "source": "CID:44483163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10370504", "properties": { "id": "endo-IWR-1-UK-356618 similarity", "source_label": "endo-IWR-1", "target_label": "UK-356618", "cosine_similarity": 0.3795822858810425 } }, { "source": "CID:44500706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186824", "properties": { "id": "SA-97259-SA-1938820 similarity", "source_label": "SA-97259", "target_label": "SA-1938820", "cosine_similarity": 0.3232378363609314 } }, { "source": "CID:135411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "CD-437-idarubicin similarity", "source_label": "CD-437", "target_label": "idarubicin", "cosine_similarity": 0.6361626982688904 } }, { "source": "CID:3272524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28871", "properties": { "id": "NBQX-fentiazac similarity", "source_label": "NBQX", "target_label": "fentiazac", "cosine_similarity": 0.2435500025749206 } }, { "source": "CID:5324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281087", "properties": { "id": "sulfaguanidine-oxantel similarity", "source_label": "sulfaguanidine", "target_label": "oxantel", "cosine_similarity": 0.2118027806282043 } }, { "source": "CID:2743956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "SPB02137-remacemide similarity", "source_label": "SPB02137", "target_label": "remacemide", "cosine_similarity": 0.2954748868942261 } }, { "source": "CID:54682040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "BMS-707035-saxagliptin similarity", "source_label": "BMS-707035", "target_label": "saxagliptin", "cosine_similarity": 0.354220449924469 } }, { "source": "CID:3387354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "SB-218078-BAY-61-3606 similarity", "source_label": "SB-218078", "target_label": "BAY-61-3606", "cosine_similarity": 0.6953104138374329 } }, { "source": "CID:12387471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "KUC111774N-AG-879 similarity", "source_label": "KUC111774N", "target_label": "AG-879", "cosine_similarity": 0.4898262619972229 } }, { "source": "CID:4671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "palmitoylethanolamide-phenylbutyrate similarity", "source_label": "palmitoylethanolamide", "target_label": "phenylbutyrate", "cosine_similarity": 0.3940750062465668 } }, { "source": "CID:9820008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4633", "properties": { "id": "SC-12267-oxybuprocaine similarity", "source_label": "SC-12267", "target_label": "oxybuprocaine", "cosine_similarity": 0.2783912122249603 } }, { "source": "CID:73707544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707537", "properties": { "id": "BG-1027-BG-1008 similarity", "source_label": "BG-1027", "target_label": "BG-1008", "cosine_similarity": 0.4078855216503143 } }, { "source": "CID:11561674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "apremilast-vismodegib similarity", "source_label": "apremilast", "target_label": "vismodegib", "cosine_similarity": 0.365997314453125 } }, { "source": "CID:24857286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1646", "properties": { "id": "TAK-875-tramiprosate similarity", "source_label": "TAK-875", "target_label": "tramiprosate", "cosine_similarity": 0.2936575412750244 } }, { "source": "CID:23846564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9363", "properties": { "id": "butirosin-etamivan similarity", "source_label": "butirosin", "target_label": "etamivan", "cosine_similarity": 0.2093631327152252 } }, { "source": "CID:18381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5717", "properties": { "id": "dicloxacillin-zafirlukast similarity", "source_label": "dicloxacillin", "target_label": "zafirlukast", "cosine_similarity": 0.3827473819255829 } }, { "source": "CID:44208964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797577", "properties": { "id": "SDZ-NKT-343-SRPIN-340 similarity", "source_label": "SDZ-NKT-343", "target_label": "SRPIN-340", "cosine_similarity": 0.2621309459209442 } }, { "source": "CID:46931007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "daunorubicin-triptolide similarity", "source_label": "daunorubicin", "target_label": "triptolide", "cosine_similarity": 0.7322731614112854 } }, { "source": "CID:5310968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:770820", "properties": { "id": "SIB-1553A-O-3M3FBS similarity", "source_label": "SIB-1553A", "target_label": "O-3M3FBS", "cosine_similarity": 0.2066085636615753 } }, { "source": "CID:445354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2777", "properties": { "id": "retinol-CL-82198 similarity", "source_label": "retinol", "target_label": "CL-82198", "cosine_similarity": 0.272193044424057 } }, { "source": "CID:4649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "aminosalicylic-acid-nemonapride similarity", "source_label": "aminosalicylic-acid", "target_label": "nemonapride", "cosine_similarity": 0.4048386812210083 } }, { "source": "CID:54669029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "SA-1921574-enzalutamide similarity", "source_label": "SA-1921574", "target_label": "enzalutamide", "cosine_similarity": 0.2732428610324859 } }, { "source": "CID:11234052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31307", "properties": { "id": "brivanib-triamcinolone similarity", "source_label": "brivanib", "target_label": "triamcinolone", "cosine_similarity": 0.4171544313430786 } }, { "source": "CID:11538455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5352062", "properties": { "id": "JNJ-26481585-romidepsin similarity", "source_label": "JNJ-26481585", "target_label": "romidepsin", "cosine_similarity": 0.8609700798988342 } }, { "source": "CID:9953599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "GR-159897-Y-134 similarity", "source_label": "GR-159897", "target_label": "Y-134", "cosine_similarity": 0.3364507555961609 } }, { "source": "CID:9846332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "halometasone-fluocinolone-acetonide similarity", "source_label": "halometasone", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.3576928675174713 } }, { "source": "CID:156414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "canertinib-afatinib similarity", "source_label": "canertinib", "target_label": "afatinib", "cosine_similarity": 0.6389855146408081 } }, { "source": "CID:54660070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667998", "properties": { "id": "SA-1456734-SA-1920080 similarity", "source_label": "SA-1456734", "target_label": "SA-1920080", "cosine_similarity": 0.2886156141757965 } }, { "source": "CID:135883127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886613", "properties": { "id": "BG-1017-BG-1031 similarity", "source_label": "BG-1017", "target_label": "BG-1031", "cosine_similarity": 0.440078854560852 } }, { "source": "CID:35370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132449", "properties": { "id": "zidovudine-L-690330 similarity", "source_label": "zidovudine", "target_label": "L-690330", "cosine_similarity": 0.4272798001766205 } }, { "source": "CID:4967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4935", "properties": { "id": "prothionamide-proxymetacaine similarity", "source_label": "prothionamide", "target_label": "proxymetacaine", "cosine_similarity": 0.2246256172657013 } }, { "source": "CID:6604749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "L-689560-AR-C133057XX similarity", "source_label": "L-689560", "target_label": "AR-C133057XX", "cosine_similarity": 0.3418266177177429 } }, { "source": "CID:24747193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "JAS07-005-MW-MITF24 similarity", "source_label": "JAS07-005", "target_label": "MW-MITF24", "cosine_similarity": 0.3338155448436737 } }, { "source": "CID:9907093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "TGX-221-taselisib similarity", "source_label": "TGX-221", "target_label": "taselisib", "cosine_similarity": 0.3443642258644104 } }, { "source": "CID:65937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "dexloxiglumide-gliclazide similarity", "source_label": "dexloxiglumide", "target_label": "gliclazide", "cosine_similarity": 0.827323317527771 } }, { "source": "CID:4363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "N-formylmethionylalanine-dubinidine similarity", "source_label": "N-formylmethionylalanine", "target_label": "dubinidine", "cosine_similarity": 0.4058792889118194 } }, { "source": "CID:5228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "SKF-86002-flumetasone similarity", "source_label": "SKF-86002", "target_label": "flumetasone", "cosine_similarity": 0.3252403438091278 } }, { "source": "CID:44603533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62959", "properties": { "id": "LY-2801653-trovafloxacin similarity", "source_label": "LY-2801653", "target_label": "trovafloxacin", "cosine_similarity": 0.2616175413131714 } }, { "source": "CID:44295709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707593", "properties": { "id": "RTI-55-JMV-431 similarity", "source_label": "RTI-55", "target_label": "JMV-431", "cosine_similarity": 0.2502132952213287 } }, { "source": "CID:2480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5808", "properties": { "id": "butacaine-levisoprenaline similarity", "source_label": "butacaine", "target_label": "levisoprenaline", "cosine_similarity": 0.1843493282794952 } }, { "source": "CID:44483271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "meclocycline-alpha-tocopherol similarity", "source_label": "meclocycline", "target_label": "alpha-tocopherol", "cosine_similarity": 0.3067900240421295 } }, { "source": "CID:107807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "perindopril-methazolamide similarity", "source_label": "perindopril", "target_label": "methazolamide", "cosine_similarity": 0.4272595942020416 } }, { "source": "CID:3386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "fluoxetine-perphenazine similarity", "source_label": "fluoxetine", "target_label": "perphenazine", "cosine_similarity": 0.5557910203933716 } }, { "source": "CID:761523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2182", "properties": { "id": "m-3M3FBS-anagrelide similarity", "source_label": "m-3M3FBS", "target_label": "anagrelide", "cosine_similarity": 0.31380096077919 } }, { "source": "CID:44484295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659991", "properties": { "id": "SA-90544-SA-1456576 similarity", "source_label": "SA-90544", "target_label": "SA-1456576", "cosine_similarity": 0.2746931910514831 } }, { "source": "CID:20555075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918493", "properties": { "id": "CGP-12177-ambrisentan similarity", "source_label": "CGP-12177", "target_label": "ambrisentan", "cosine_similarity": 0.4492080807685852 } }, { "source": "CID:23649325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351968", "properties": { "id": "AZD-1283-A-740003 similarity", "source_label": "AZD-1283", "target_label": "A-740003", "cosine_similarity": 0.3312702775001526 } }, { "source": "CID:43231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14520", "properties": { "id": "clorsulon-citiolone similarity", "source_label": "clorsulon", "target_label": "citiolone", "cosine_similarity": 0.1882547438144683 } }, { "source": "CID:40486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "A-23187-AG-592 similarity", "source_label": "A-23187", "target_label": "AG-592", "cosine_similarity": 0.6380179524421692 } }, { "source": "CID:60751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62959", "properties": { "id": "temoporfin-trovafloxacin similarity", "source_label": "temoporfin", "target_label": "trovafloxacin", "cosine_similarity": 0.443434476852417 } }, { "source": "CID:5666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5576", "properties": { "id": "viloxazine-trimethadione similarity", "source_label": "viloxazine", "target_label": "trimethadione", "cosine_similarity": 0.2361859679222107 } }, { "source": "CID:6610310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747213", "properties": { "id": "MBCQ-PSH-008 similarity", "source_label": "MBCQ", "target_label": "PSH-008", "cosine_similarity": 0.3253163397312164 } }, { "source": "CID:1935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "tacrine-granisetron similarity", "source_label": "tacrine", "target_label": "granisetron", "cosine_similarity": 0.3077574968338012 } }, { "source": "CID:3686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59768", "properties": { "id": "idebenone-esmolol similarity", "source_label": "idebenone", "target_label": "esmolol", "cosine_similarity": 0.3562221825122833 } }, { "source": "CID:3467590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "STO-609-GW-9508 similarity", "source_label": "STO-609", "target_label": "GW-9508", "cosine_similarity": 0.2738658785820007 } }, { "source": "CID:3396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "fluspirilene-tetrandrine similarity", "source_label": "fluspirilene", "target_label": "tetrandrine", "cosine_similarity": 0.5377538800239563 } }, { "source": "CID:44629987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22152353", "properties": { "id": "brivudine-ORG-9768 similarity", "source_label": "brivudine", "target_label": "ORG-9768", "cosine_similarity": 0.3933167457580566 } }, { "source": "CID:4908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "primaquine-PF-03084014 similarity", "source_label": "primaquine", "target_label": "PF-03084014", "cosine_similarity": 0.4844171106815338 } }, { "source": "CID:4515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "NNC-711-oleoylethanolamide similarity", "source_label": "NNC-711", "target_label": "oleoylethanolamide", "cosine_similarity": 0.3479200601577759 } }, { "source": "CID:154575236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442793", "properties": { "id": "tribenoside-gingerol similarity", "source_label": "tribenoside", "target_label": "gingerol", "cosine_similarity": 0.1829876601696014 } }, { "source": "CID:3721046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "CNQX-chloroquine similarity", "source_label": "CNQX", "target_label": "chloroquine", "cosine_similarity": 0.3145088851451874 } }, { "source": "CID:91588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "salsolinol-vecuronium similarity", "source_label": "salsolinol", "target_label": "vecuronium", "cosine_similarity": 0.3041602969169616 } }, { "source": "CID:46742345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "VU-0418939-2-VU-0410183-2 similarity", "source_label": "VU-0418939-2", "target_label": "VU-0410183-2", "cosine_similarity": 0.9274758696556092 } }, { "source": "CID:9918908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "PD-166793-pipenzolate similarity", "source_label": "PD-166793", "target_label": "pipenzolate", "cosine_similarity": 0.2868320047855377 } }, { "source": "CID:5819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "levothyroxine-apafant similarity", "source_label": "levothyroxine", "target_label": "apafant", "cosine_similarity": 0.4319387972354889 } }, { "source": "CID:4994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:175540", "properties": { "id": "pyrithyldione-atenolol similarity", "source_label": "pyrithyldione", "target_label": "atenolol", "cosine_similarity": 0.2481561750173568 } }, { "source": "CID:9651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "galantamine-UNC-1215 similarity", "source_label": "galantamine", "target_label": "UNC-1215", "cosine_similarity": 0.2551669180393219 } }, { "source": "CID:4499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "nisoldipine-RAF-265 similarity", "source_label": "nisoldipine", "target_label": "RAF-265", "cosine_similarity": 0.2625972926616668 } }, { "source": "CID:54667404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-1919877-SA-434027 similarity", "source_label": "SA-1919877", "target_label": "SA-434027", "cosine_similarity": 0.3418975174427032 } }, { "source": "CID:148121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "pralatrexate-floxuridine similarity", "source_label": "pralatrexate", "target_label": "floxuridine", "cosine_similarity": 0.597139298915863 } }, { "source": "CID:135398510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329102", "properties": { "id": "dovitinib-sunitinib similarity", "source_label": "dovitinib", "target_label": "sunitinib", "cosine_similarity": 0.4853315651416778 } }, { "source": "CID:10205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "plumbagin-auranofin similarity", "source_label": "plumbagin", "target_label": "auranofin", "cosine_similarity": 0.2912571728229522 } }, { "source": "CID:84008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "FIT-RS-17053 similarity", "source_label": "FIT", "target_label": "RS-17053", "cosine_similarity": 0.6133891940116882 } }, { "source": "CID:66490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25147679", "properties": { "id": "NCI-16221-diarylsulfonesulfonamide similarity", "source_label": "NCI-16221", "target_label": "diarylsulfonesulfonamide", "cosine_similarity": 0.2415190637111663 } }, { "source": "CID:16760312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135411", "properties": { "id": "inhibitor-BEC-CD-437 similarity", "source_label": "inhibitor-BEC", "target_label": "CD-437", "cosine_similarity": 0.453638345003128 } }, { "source": "CID:73078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "tetrandrine-STA-5326 similarity", "source_label": "tetrandrine", "target_label": "STA-5326", "cosine_similarity": 0.654768168926239 } }, { "source": "CID:387447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "bortezomib-z-leu3-VS similarity", "source_label": "bortezomib", "target_label": "z-leu3-VS", "cosine_similarity": 0.6540303230285645 } }, { "source": "CID:10275789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "PIK-75-BMS-387032 similarity", "source_label": "PIK-75", "target_label": "BMS-387032", "cosine_similarity": 0.8119040131568909 } }, { "source": "CID:34521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "toloxatone-ipratropium similarity", "source_label": "toloxatone", "target_label": "ipratropium", "cosine_similarity": 0.1814839392900467 } }, { "source": "CID:46931007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "daunorubicin-doxorubicin similarity", "source_label": "daunorubicin", "target_label": "doxorubicin", "cosine_similarity": 0.9002184867858887 } }, { "source": "CID:40461270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "lenalidomide-FTI-276 similarity", "source_label": "lenalidomide", "target_label": "FTI-276", "cosine_similarity": 0.4839777946472168 } }, { "source": "CID:11683005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "darinaparsin-DAC-009 similarity", "source_label": "darinaparsin", "target_label": "DAC-009", "cosine_similarity": 0.4198732674121856 } }, { "source": "CID:10172943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25226483", "properties": { "id": "A-443654-HG-5-113-01 similarity", "source_label": "A-443654", "target_label": "HG-5-113-01", "cosine_similarity": 0.5122950077056885 } }, { "source": "CID:6442177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "everolimus-KU-0063794 similarity", "source_label": "everolimus", "target_label": "KU-0063794", "cosine_similarity": 0.76079922914505 } }, { "source": "CID:244898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "lumicolchicine-ASN-05257430 similarity", "source_label": "lumicolchicine", "target_label": "ASN-05257430", "cosine_similarity": 0.2291002571582794 } }, { "source": "CID:612556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "dihydroptaeroxylin-SAL-1 similarity", "source_label": "dihydroptaeroxylin", "target_label": "SAL-1", "cosine_similarity": 0.2289867103099823 } }, { "source": "CID:10068193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5918561", "properties": { "id": "LM-1685-ST-024029 similarity", "source_label": "LM-1685", "target_label": "ST-024029", "cosine_similarity": 0.2366461008787155 } }, { "source": "CID:133106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "SIB-1508Y-amikacin similarity", "source_label": "SIB-1508Y", "target_label": "amikacin", "cosine_similarity": 0.2808004915714264 } }, { "source": "CID:4246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:243", "properties": { "id": "monocrotaline-benzoic-acid similarity", "source_label": "monocrotaline", "target_label": "benzoic-acid", "cosine_similarity": 0.3395293056964874 } }, { "source": "CID:44506644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657953", "properties": { "id": "SA-247508-SA-1456195 similarity", "source_label": "SA-247508", "target_label": "SA-1456195", "cosine_similarity": 0.3485687971115112 } }, { "source": "CID:2820633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "KM-04501-fillalbin similarity", "source_label": "KM-04501", "target_label": "fillalbin", "cosine_similarity": 0.2618172168731689 } }, { "source": "CID:42760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "olvanil-AG-957 similarity", "source_label": "olvanil", "target_label": "AG-957", "cosine_similarity": 0.2786642909049988 } }, { "source": "CID:1547484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18381", "properties": { "id": "cinnarizine-dicloxacillin similarity", "source_label": "cinnarizine", "target_label": "dicloxacillin", "cosine_similarity": 0.3621664345264435 } }, { "source": "CID:4950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "propylthiouracil-ICI-162846 similarity", "source_label": "propylthiouracil", "target_label": "ICI-162846", "cosine_similarity": 0.4274305999279022 } }, { "source": "CID:19385000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "L-755507-fluspirilene similarity", "source_label": "L-755507", "target_label": "fluspirilene", "cosine_similarity": 0.3590933084487915 } }, { "source": "CID:3816756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "AT-SUMO-1-EMF-sumo1-39 similarity", "source_label": "AT-SUMO-1", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.6941825151443481 } }, { "source": "CID:17754438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "PF-04217903-temozolomide similarity", "source_label": "PF-04217903", "target_label": "temozolomide", "cosine_similarity": 0.4003238677978515 } }, { "source": "CID:71360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "iloperidone-vandetanib similarity", "source_label": "iloperidone", "target_label": "vandetanib", "cosine_similarity": 0.3031518161296844 } }, { "source": "CID:5865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2662", "properties": { "id": "prednisone-celecoxib similarity", "source_label": "prednisone", "target_label": "celecoxib", "cosine_similarity": 0.4860018193721771 } }, { "source": "CID:2703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "chelerythrine-GDC-0199 similarity", "source_label": "chelerythrine", "target_label": "GDC-0199", "cosine_similarity": 0.3783216178417206 } }, { "source": "CID:68071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "pinocembrin-TAK-715 similarity", "source_label": "pinocembrin", "target_label": "TAK-715", "cosine_similarity": 0.2913536131381988 } }, { "source": "CID:46695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "salsoline-broxyquinoline similarity", "source_label": "salsoline", "target_label": "broxyquinoline", "cosine_similarity": 0.2914241850376129 } }, { "source": "CID:5311257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14113", "properties": { "id": "LY-320135-fenigam similarity", "source_label": "LY-320135", "target_label": "fenigam", "cosine_similarity": 0.2351100295782089 } }, { "source": "CID:31772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "nifurtimox-sildenafil similarity", "source_label": "nifurtimox", "target_label": "sildenafil", "cosine_similarity": 0.2459182292222976 } }, { "source": "CID:755405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "ST-056792-EMF-bca1-16 similarity", "source_label": "ST-056792", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7335984110832214 } }, { "source": "CID:3718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "indoprofen-iguratimod similarity", "source_label": "indoprofen", "target_label": "iguratimod", "cosine_similarity": 0.3530938625335693 } }, { "source": "CID:9855081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "cyclosporin-a-CGP-71683 similarity", "source_label": "cyclosporin-a", "target_label": "CGP-71683", "cosine_similarity": 0.7134265303611755 } }, { "source": "CID:14113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:781301", "properties": { "id": "fenigam-ML-133 similarity", "source_label": "fenigam", "target_label": "ML-133", "cosine_similarity": 0.3091179728507995 } }, { "source": "CID:62872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707614", "properties": { "id": "aminobenztropine-KW-06 similarity", "source_label": "aminobenztropine", "target_label": "KW-06", "cosine_similarity": 0.2680279910564422 } }, { "source": "CID:44505124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-417716-SA-1459714 similarity", "source_label": "SA-417716", "target_label": "SA-1459714", "cosine_similarity": 0.3634766042232513 } }, { "source": "CID:11317348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:454217", "properties": { "id": "KI-8751-prostratin similarity", "source_label": "KI-8751", "target_label": "prostratin", "cosine_similarity": 0.3836542963981628 } }, { "source": "CID:9867812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548887", "properties": { "id": "remimazolam-sulindac similarity", "source_label": "remimazolam", "target_label": "sulindac", "cosine_similarity": 0.1655907928943634 } }, { "source": "CID:451668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "decitabine-mitomycin-c similarity", "source_label": "decitabine", "target_label": "mitomycin-c", "cosine_similarity": 0.4377317428588867 } }, { "source": "CID:5597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601475", "properties": { "id": "troxipide-KUC103903N similarity", "source_label": "troxipide", "target_label": "KUC103903N", "cosine_similarity": 0.2394138872623443 } }, { "source": "CID:6166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "desoxycortone-flumetasone similarity", "source_label": "desoxycortone", "target_label": "flumetasone", "cosine_similarity": 0.2035250812768936 } }, { "source": "CID:4171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60769", "properties": { "id": "metoprolol-MDL-73005EF similarity", "source_label": "metoprolol", "target_label": "MDL-73005EF", "cosine_similarity": 0.3941386640071869 } }, { "source": "CID:441314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "miglitol-actarit similarity", "source_label": "miglitol", "target_label": "actarit", "cosine_similarity": 0.3258788287639618 } }, { "source": "CID:4659569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92722", "properties": { "id": "tolcapone-argatroban similarity", "source_label": "tolcapone", "target_label": "argatroban", "cosine_similarity": 0.3388611674308777 } }, { "source": "CID:49836020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "birinapant-imatinib similarity", "source_label": "birinapant", "target_label": "imatinib", "cosine_similarity": 0.3593076169490814 } }, { "source": "CID:44488994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "SA-89068-MK-212 similarity", "source_label": "SA-89068", "target_label": "MK-212", "cosine_similarity": 0.3263667523860931 } }, { "source": "CID:3037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "dichlorophen-cinchophen similarity", "source_label": "dichlorophen", "target_label": "cinchophen", "cosine_similarity": 0.4888578355312347 } }, { "source": "CID:33036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133008", "properties": { "id": "dexchlorpheniramine-L-741742 similarity", "source_label": "dexchlorpheniramine", "target_label": "L-741742", "cosine_similarity": 0.1996054649353027 } }, { "source": "CID:72303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "honokiol-pritelivir similarity", "source_label": "honokiol", "target_label": "pritelivir", "cosine_similarity": 0.5381988286972046 } }, { "source": "CID:5323714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "furazolidone-cinchophen similarity", "source_label": "furazolidone", "target_label": "cinchophen", "cosine_similarity": 0.5596209168434143 } }, { "source": "CID:73707446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "tigecycline-KM-03949SC similarity", "source_label": "tigecycline", "target_label": "KM-03949SC", "cosine_similarity": 0.4496720731258392 } }, { "source": "CID:60164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5289501", "properties": { "id": "adapalene-TTNPB similarity", "source_label": "adapalene", "target_label": "TTNPB", "cosine_similarity": 0.4517341554164886 } }, { "source": "CID:73707482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20299", "properties": { "id": "vancomycin-tridihexethyl similarity", "source_label": "vancomycin", "target_label": "tridihexethyl", "cosine_similarity": 0.2267982512712478 } }, { "source": "CID:54654478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "SA-1472548-erythrosine similarity", "source_label": "SA-1472548", "target_label": "erythrosine", "cosine_similarity": 0.2306337505578994 } }, { "source": "CID:5281884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "valspodar-cyclosporin-a similarity", "source_label": "valspodar", "target_label": "cyclosporin-a", "cosine_similarity": 0.4159608483314514 } }, { "source": "CID:5585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "trioxsalen-FTI-276 similarity", "source_label": "trioxsalen", "target_label": "FTI-276", "cosine_similarity": 0.2957491278648376 } }, { "source": "CID:72199293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:398148", "properties": { "id": "EI1-NU-6027 similarity", "source_label": "EI1", "target_label": "NU-6027", "cosine_similarity": 0.292334109544754 } }, { "source": "CID:54659817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44493156", "properties": { "id": "SA-1460032-SA-83851 similarity", "source_label": "SA-1460032", "target_label": "SA-83851", "cosine_similarity": 0.2289834320545196 } }, { "source": "CID:65863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "sertaconazole-cholic-acid similarity", "source_label": "sertaconazole", "target_label": "cholic-acid", "cosine_similarity": 0.3808720707893371 } }, { "source": "CID:9828429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "proscillaridin-bufalin similarity", "source_label": "proscillaridin", "target_label": "bufalin", "cosine_similarity": 0.8658344745635986 } }, { "source": "CID:20345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "kinetin-riboside-pifithrin-mu similarity", "source_label": "kinetin-riboside", "target_label": "pifithrin-mu", "cosine_similarity": 0.4707973897457123 } }, { "source": "CID:6010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9904", "properties": { "id": "testosterone-nandrolone similarity", "source_label": "testosterone", "target_label": "nandrolone", "cosine_similarity": 0.2275777012109756 } }, { "source": "CID:54668627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660156", "properties": { "id": "SA-1922659-SA-1459854 similarity", "source_label": "SA-1922659", "target_label": "SA-1459854", "cosine_similarity": 0.4819650948047638 } }, { "source": "CID:73707414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "nelfinavir-ABT-737 similarity", "source_label": "nelfinavir", "target_label": "ABT-737", "cosine_similarity": 0.5342937111854553 } }, { "source": "CID:9885087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1697", "properties": { "id": "TAS-301-CGP-52411 similarity", "source_label": "TAS-301", "target_label": "CGP-52411", "cosine_similarity": 0.2095849514007568 } }, { "source": "CID:6049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4649", "properties": { "id": "ethylenediaminetetraacetic-acid-aminosalicylic-acid similarity", "source_label": "ethylenediaminetetraacetic-acid", "target_label": "aminosalicylic-acid", "cosine_similarity": 0.4065634310245514 } }, { "source": "CID:11387409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2022", "properties": { "id": "oglemilast-acyclovir similarity", "source_label": "oglemilast", "target_label": "acyclovir", "cosine_similarity": 0.2855257391929626 } }, { "source": "CID:107905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "epicatechin-KIN001-055 similarity", "source_label": "epicatechin", "target_label": "KIN001-055", "cosine_similarity": 0.4665763080120086 } }, { "source": "CID:5281708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:334704", "properties": { "id": "daidzein-marmesin similarity", "source_label": "daidzein", "target_label": "marmesin", "cosine_similarity": 0.2882861196994781 } }, { "source": "CID:155982217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "monensin-heliomycin similarity", "source_label": "monensin", "target_label": "heliomycin", "cosine_similarity": 0.2842664718627929 } }, { "source": "CID:9882972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4170", "properties": { "id": "PS-178990-metolazone similarity", "source_label": "PS-178990", "target_label": "metolazone", "cosine_similarity": 0.3483951985836029 } }, { "source": "CID:44492462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3545", "properties": { "id": "EMF-BCA1-60-C-1 similarity", "source_label": "EMF-BCA1-60", "target_label": "C-1", "cosine_similarity": 0.2608118951320648 } }, { "source": "CID:3505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "GR-89696-PF-04217903 similarity", "source_label": "GR-89696", "target_label": "PF-04217903", "cosine_similarity": 0.2244669795036316 } }, { "source": "CID:4100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38521", "properties": { "id": "methazolamide-guanadrel similarity", "source_label": "methazolamide", "target_label": "guanadrel", "cosine_similarity": 0.505854606628418 } }, { "source": "CID:9889200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "balaglitazone-REV-5901 similarity", "source_label": "balaglitazone", "target_label": "REV-5901", "cosine_similarity": 0.3571284413337707 } }, { "source": "CID:135539077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "NVP-AUY922-geldanamycin similarity", "source_label": "NVP-AUY922", "target_label": "geldanamycin", "cosine_similarity": 0.876025915145874 } }, { "source": "CID:73707386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "prima-1-met-PRIMA1 similarity", "source_label": "prima-1-met", "target_label": "PRIMA1", "cosine_similarity": 0.5820764303207397 } }, { "source": "CID:4377504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2941", "properties": { "id": "CFM-2-D-609 similarity", "source_label": "CFM-2", "target_label": "D-609", "cosine_similarity": 0.326148122549057 } }, { "source": "CID:44483817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667764", "properties": { "id": "SA-102096-SA-1920756 similarity", "source_label": "SA-102096", "target_label": "SA-1920756", "cosine_similarity": 0.3181426227092743 } }, { "source": "CID:3590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5340", "properties": { "id": "heptaminol-sulfathiazole similarity", "source_label": "heptaminol", "target_label": "sulfathiazole", "cosine_similarity": 0.1826510429382324 } }, { "source": "CID:9809715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "nintedanib-saracatinib similarity", "source_label": "nintedanib", "target_label": "saracatinib", "cosine_similarity": 0.3491202592849731 } }, { "source": "CID:5175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:343083", "properties": { "id": "SC-10-cuneatin similarity", "source_label": "SC-10", "target_label": "cuneatin", "cosine_similarity": 0.2495020925998687 } }, { "source": "CID:4485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "nifedipine-AZD-5438 similarity", "source_label": "nifedipine", "target_label": "AZD-5438", "cosine_similarity": 0.4487707614898681 } }, { "source": "CID:68591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "toltrazuril-Gossypetin similarity", "source_label": "toltrazuril", "target_label": "Gossypetin", "cosine_similarity": 0.3036688864231109 } }, { "source": "CID:5286565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "ST-4029573-BG-FA-0953 similarity", "source_label": "ST-4029573", "target_label": "BG-FA-0953", "cosine_similarity": 0.6377449035644531 } }, { "source": "CID:5921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "n-nitrosodiethylamine-losartan similarity", "source_label": "n-nitrosodiethylamine", "target_label": "losartan", "cosine_similarity": 0.2634637355804443 } }, { "source": "CID:5353842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "OBAA-FTI-276 similarity", "source_label": "OBAA", "target_label": "FTI-276", "cosine_similarity": 0.3216225504875183 } }, { "source": "CID:5327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "sulfadimidine-CO-102862 similarity", "source_label": "sulfadimidine", "target_label": "CO-102862", "cosine_similarity": 0.2628155052661896 } }, { "source": "CID:73707376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "DC-45-A2-serotonin similarity", "source_label": "DC-45-A2", "target_label": "serotonin", "cosine_similarity": 0.4949292242527008 } }, { "source": "CID:11719255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006141", "properties": { "id": "AVA-pregnenolone-succinate similarity", "source_label": "AVA", "target_label": "pregnenolone-succinate", "cosine_similarity": 0.218858540058136 } }, { "source": "CID:5878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362119", "properties": { "id": "oxandrolone-lisinopril similarity", "source_label": "oxandrolone", "target_label": "lisinopril", "cosine_similarity": 0.3018183410167694 } }, { "source": "CID:6708600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "sarmentogenin-ouabain similarity", "source_label": "sarmentogenin", "target_label": "ouabain", "cosine_similarity": 0.8182733058929443 } }, { "source": "CID:3394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "flurbiprofen-EMF-csc-9 similarity", "source_label": "flurbiprofen", "target_label": "EMF-csc-9", "cosine_similarity": 0.336443543434143 } }, { "source": "CID:44602407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "KU-C104230-dexloxiglumide similarity", "source_label": "KU-C104230", "target_label": "dexloxiglumide", "cosine_similarity": 0.3246644735336303 } }, { "source": "CID:54658692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668959", "properties": { "id": "SA-1458163-SA-1919710 similarity", "source_label": "SA-1458163", "target_label": "SA-1919710", "cosine_similarity": 0.2728923857212066 } }, { "source": "CID:45006141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "pregnenolone-succinate-KU-C104140 similarity", "source_label": "pregnenolone-succinate", "target_label": "KU-C104140", "cosine_similarity": 0.3124477565288543 } }, { "source": "CID:3085219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "mirtazapine-rocuronium similarity", "source_label": "mirtazapine", "target_label": "rocuronium", "cosine_similarity": 0.4307906031608581 } }, { "source": "CID:2936384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3202", "properties": { "id": "SF-11-edrophonium similarity", "source_label": "SF-11", "target_label": "edrophonium", "cosine_similarity": 0.2319074422121048 } }, { "source": "CID:3639", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088438", "properties": { "id": "hydrochlorothiazide-ML-130 similarity", "source_label": "hydrochlorothiazide", "target_label": "ML-130", "cosine_similarity": 0.2477352619171142 } }, { "source": "CID:2088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "alendronic-acid-iniparib similarity", "source_label": "alendronic-acid", "target_label": "iniparib", "cosine_similarity": 0.2091738581657409 } }, { "source": "CID:9882972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "PS-178990-ipratropium similarity", "source_label": "PS-178990", "target_label": "ipratropium", "cosine_similarity": 0.3500387966632843 } }, { "source": "CID:2984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "denbufylline-fatostatin similarity", "source_label": "denbufylline", "target_label": "fatostatin", "cosine_similarity": 0.2773085832595825 } }, { "source": "CID:60846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "valsartan-lacosamide similarity", "source_label": "valsartan", "target_label": "lacosamide", "cosine_similarity": 0.4891345798969269 } }, { "source": "CID:5742673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "cefotaxime-sibutramine similarity", "source_label": "cefotaxime", "target_label": "sibutramine", "cosine_similarity": 0.3529506325721741 } }, { "source": "CID:11360391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10430360", "properties": { "id": "A-769662-CC-401 similarity", "source_label": "A-769662", "target_label": "CC-401", "cosine_similarity": 0.3413946330547333 } }, { "source": "CID:444025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "loteprednol-clobetasol similarity", "source_label": "loteprednol", "target_label": "clobetasol", "cosine_similarity": 0.3013601005077362 } }, { "source": "CID:44488330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657705", "properties": { "id": "SA-85148-SA-1459172 similarity", "source_label": "SA-85148", "target_label": "SA-1459172", "cosine_similarity": 0.4863992631435394 } }, { "source": "CID:17759555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "cyanoquinoline-11-SKI-II similarity", "source_label": "cyanoquinoline-11", "target_label": "SKI-II", "cosine_similarity": 0.365679919719696 } }, { "source": "CID:5344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5735", "properties": { "id": "sulfafurazole-zopiclone similarity", "source_label": "sulfafurazole", "target_label": "zopiclone", "cosine_similarity": 0.320605456829071 } }, { "source": "CID:148195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10099206", "properties": { "id": "lonafarnib-LB-42708 similarity", "source_label": "lonafarnib", "target_label": "LB-42708", "cosine_similarity": 0.2904995679855346 } }, { "source": "CID:4935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "proxymetacaine-DAC-004 similarity", "source_label": "proxymetacaine", "target_label": "DAC-004", "cosine_similarity": 0.3485362827777862 } }, { "source": "CID:3151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46925828", "properties": { "id": "domperidone-SD-6-035-A6 similarity", "source_label": "domperidone", "target_label": "SD-6-035-A6", "cosine_similarity": 0.2055307626724243 } }, { "source": "CID:60910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "mifobate-D-serine similarity", "source_label": "mifobate", "target_label": "D-serine", "cosine_similarity": 0.4348518848419189 } }, { "source": "CID:54657141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507307", "properties": { "id": "SA-1462678-SA-247654 similarity", "source_label": "SA-1462678", "target_label": "SA-247654", "cosine_similarity": 0.3422008156776428 } }, { "source": "CID:4331799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "SB-408124-D-64131 similarity", "source_label": "SB-408124", "target_label": "D-64131", "cosine_similarity": 0.2071584016084671 } }, { "source": "CID:3739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "adipiodone-tubocurarine similarity", "source_label": "adipiodone", "target_label": "tubocurarine", "cosine_similarity": 0.2857952117919922 } }, { "source": "CID:213040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "dofequidar-apocynin similarity", "source_label": "dofequidar", "target_label": "apocynin", "cosine_similarity": 0.3576014041900635 } }, { "source": "CID:5056826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "F-1566-0341-MD-II-008-P similarity", "source_label": "F-1566-0341", "target_label": "MD-II-008-P", "cosine_similarity": 0.7560514807701111 } }, { "source": "CID:1054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707476", "properties": { "id": "pyridoxine-pivampicillin similarity", "source_label": "pyridoxine", "target_label": "pivampicillin", "cosine_similarity": 0.2212899178266525 } }, { "source": "CID:6914657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "FK-866-BMS-641988 similarity", "source_label": "FK-866", "target_label": "BMS-641988", "cosine_similarity": 0.4342462122440338 } }, { "source": "CID:123619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "etoricoxib-ozagrel similarity", "source_label": "etoricoxib", "target_label": "ozagrel", "cosine_similarity": 0.4123528897762298 } }, { "source": "CID:54367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "altanserin-ketotifen similarity", "source_label": "altanserin", "target_label": "ketotifen", "cosine_similarity": 0.359019935131073 } }, { "source": "CID:2833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "colchicine-dolastatin-10 similarity", "source_label": "colchicine", "target_label": "dolastatin-10", "cosine_similarity": 0.8351448178291321 } }, { "source": "CID:23976270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "JPR-3-97-17-phenothiazine similarity", "source_label": "JPR-3-97-17", "target_label": "phenothiazine", "cosine_similarity": 0.2982493937015533 } }, { "source": "CID:462382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "MG-132-z-leu3-VS similarity", "source_label": "MG-132", "target_label": "z-leu3-VS", "cosine_similarity": 0.6769195199012756 } }, { "source": "CID:60750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "gemcitabine-mitomycin-c similarity", "source_label": "gemcitabine", "target_label": "mitomycin-c", "cosine_similarity": 0.776838481426239 } }, { "source": "CID:3000322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "scopolamine-linsidomine similarity", "source_label": "scopolamine", "target_label": "linsidomine", "cosine_similarity": 0.4054541885852813 } }, { "source": "CID:343083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107896", "properties": { "id": "cuneatin-gabazine similarity", "source_label": "cuneatin", "target_label": "gabazine", "cosine_similarity": 0.2637943923473358 } }, { "source": "CID:192197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123606", "properties": { "id": "hexestrol-almotriptan similarity", "source_label": "hexestrol", "target_label": "almotriptan", "cosine_similarity": 0.2071402221918106 } }, { "source": "CID:49766518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "TL-HRAS-24-K784-3187 similarity", "source_label": "TL-HRAS-24", "target_label": "K784-3187", "cosine_similarity": 0.4609110355377197 } }, { "source": "CID:53245449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5765514", "properties": { "id": "TUL_XIX002-MW-STK33-1C similarity", "source_label": "TUL_XIX002", "target_label": "MW-STK33-1C", "cosine_similarity": 0.3123353719711303 } }, { "source": "CID:6610344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280360", "properties": { "id": "forskolin-dinoprostone similarity", "source_label": "forskolin", "target_label": "dinoprostone", "cosine_similarity": 0.7943465113639832 } }, { "source": "CID:32798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "clobetasol-beclomethasone-dipropionate similarity", "source_label": "clobetasol", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.7369663119316101 } }, { "source": "CID:3000540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65492", "properties": { "id": "lincomycin-iopamidol similarity", "source_label": "lincomycin", "target_label": "iopamidol", "cosine_similarity": 0.1723551750183105 } }, { "source": "CID:5388962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "enalapril-risperidone similarity", "source_label": "enalapril", "target_label": "risperidone", "cosine_similarity": 0.3653903007507324 } }, { "source": "CID:11784736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "Y-134-NTNCB similarity", "source_label": "Y-134", "target_label": "NTNCB", "cosine_similarity": 0.6298694610595703 } }, { "source": "CID:2815801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "HTS-11203SC-amikacin similarity", "source_label": "HTS-11203SC", "target_label": "amikacin", "cosine_similarity": 0.2882040143013 } }, { "source": "CID:25295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6410758", "properties": { "id": "chloropyramine-cefatrizine similarity", "source_label": "chloropyramine", "target_label": "cefatrizine", "cosine_similarity": 0.2228633165359497 } }, { "source": "CID:11054313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "KU-C103867-pifithrin-mu similarity", "source_label": "KU-C103867", "target_label": "pifithrin-mu", "cosine_similarity": 0.441426008939743 } }, { "source": "CID:136238508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1797", "properties": { "id": "rifapentine-5-nonyloxytryptamine similarity", "source_label": "rifapentine", "target_label": "5-nonyloxytryptamine", "cosine_similarity": 0.3339819014072418 } }, { "source": "CID:151172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375809", "properties": { "id": "cariporide-PSI-7976 similarity", "source_label": "cariporide", "target_label": "PSI-7976", "cosine_similarity": 0.3463530242443084 } }, { "source": "CID:44507283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "SA-247592-SA-247714 similarity", "source_label": "SA-247592", "target_label": "SA-247714", "cosine_similarity": 0.2953917682170868 } }, { "source": "CID:11978813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "brexpiprazole-adenosine similarity", "source_label": "brexpiprazole", "target_label": "adenosine", "cosine_similarity": 0.5591741800308228 } }, { "source": "CID:44503122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6129", "properties": { "id": "SA-101776-carbaryl similarity", "source_label": "SA-101776", "target_label": "carbaryl", "cosine_similarity": 0.2819895148277282 } }, { "source": "CID:5850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "pentolinium-KU-C104236N similarity", "source_label": "pentolinium", "target_label": "KU-C104236N", "cosine_similarity": 0.1944576650857925 } }, { "source": "CID:3958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "lorazepam-indinavir similarity", "source_label": "lorazepam", "target_label": "indinavir", "cosine_similarity": 0.5889394283294678 } }, { "source": "CID:5388962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4938", "properties": { "id": "enalapril-propentofylline similarity", "source_label": "enalapril", "target_label": "propentofylline", "cosine_similarity": 0.4030093550682068 } }, { "source": "CID:60189878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "SA-1939936-rotundine similarity", "source_label": "SA-1939936", "target_label": "rotundine", "cosine_similarity": 0.2011359632015228 } }, { "source": "CID:2809486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "S-206352-epicatechin similarity", "source_label": "S-206352", "target_label": "epicatechin", "cosine_similarity": 0.2719181478023529 } }, { "source": "CID:14900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710622", "properties": { "id": "1-monopalmitin-bicuculline similarity", "source_label": "1-monopalmitin", "target_label": "bicuculline", "cosine_similarity": 0.3611648380756378 } }, { "source": "CID:9799509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2019", "properties": { "id": "ER-27319-actinomycin-d similarity", "source_label": "ER-27319", "target_label": "actinomycin-d", "cosine_similarity": 0.7573243975639343 } }, { "source": "CID:3125011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "MW-A1-2-PT-630 similarity", "source_label": "MW-A1-2", "target_label": "PT-630", "cosine_similarity": 0.2404365390539169 } }, { "source": "CID:23817954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "josamycin-PSI-6130 similarity", "source_label": "josamycin", "target_label": "PSI-6130", "cosine_similarity": 0.2892455756664276 } }, { "source": "CID:3033637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "nizatidine-levosulpiride similarity", "source_label": "nizatidine", "target_label": "levosulpiride", "cosine_similarity": 0.3245024085044861 } }, { "source": "CID:2796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10117987", "properties": { "id": "clofibrate-preladenant similarity", "source_label": "clofibrate", "target_label": "preladenant", "cosine_similarity": 0.3275341391563415 } }, { "source": "CID:44483271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "meclocycline-SMER-28 similarity", "source_label": "meclocycline", "target_label": "SMER-28", "cosine_similarity": 0.2906710505485534 } }, { "source": "CID:44129591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747272", "properties": { "id": "VU-0366968-PSH-023 similarity", "source_label": "VU-0366968", "target_label": "PSH-023", "cosine_similarity": 0.2611271440982818 } }, { "source": "CID:3677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "mephentermine-tofacitinib similarity", "source_label": "mephentermine", "target_label": "tofacitinib", "cosine_similarity": 0.4577011466026306 } }, { "source": "CID:23236067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "flunisolide-halcinonide similarity", "source_label": "flunisolide", "target_label": "halcinonide", "cosine_similarity": 0.4668106436729431 } }, { "source": "CID:9907323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24872560", "properties": { "id": "cutamesine-ARN-509 similarity", "source_label": "cutamesine", "target_label": "ARN-509", "cosine_similarity": 0.287473976612091 } }, { "source": "CID:2120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "alrestatin-venlafaxine similarity", "source_label": "alrestatin", "target_label": "venlafaxine", "cosine_similarity": 0.2566477358341217 } }, { "source": "CID:4701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60937", "properties": { "id": "PD-123319-tiludronate similarity", "source_label": "PD-123319", "target_label": "tiludronate", "cosine_similarity": 0.3158804774284363 } }, { "source": "CID:5587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "tripelennamine-phenoxazine similarity", "source_label": "tripelennamine", "target_label": "phenoxazine", "cosine_similarity": 0.2467478513717651 } }, { "source": "CID:163844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "CGS-20625-terbinafine similarity", "source_label": "CGS-20625", "target_label": "terbinafine", "cosine_similarity": 0.5104211568832397 } }, { "source": "CID:5472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "ticlopidine-nafamostat similarity", "source_label": "ticlopidine", "target_label": "nafamostat", "cosine_similarity": 0.3859830796718597 } }, { "source": "CID:24768935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "BMS-641988-serotonin similarity", "source_label": "BMS-641988", "target_label": "serotonin", "cosine_similarity": 0.5939497351646423 } }, { "source": "CID:2055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "AG-494-K784-3187 similarity", "source_label": "AG-494", "target_label": "K784-3187", "cosine_similarity": 0.3466599881649017 } }, { "source": "CID:73453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4308", "properties": { "id": "ergocornine-NPC-15199 similarity", "source_label": "ergocornine", "target_label": "NPC-15199", "cosine_similarity": 0.2817752957344055 } }, { "source": "CID:72385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "nonoxynol-9-cyclosporin-a similarity", "source_label": "nonoxynol-9", "target_label": "cyclosporin-a", "cosine_similarity": 0.5793272256851196 } }, { "source": "CID:5574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "alimemazine-BIBU-1361 similarity", "source_label": "alimemazine", "target_label": "BIBU-1361", "cosine_similarity": 0.4918355047702789 } }, { "source": "CID:2140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "diatrizoic-acid-chelidonine similarity", "source_label": "diatrizoic-acid", "target_label": "chelidonine", "cosine_similarity": 0.2810023128986358 } }, { "source": "CID:449171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "alitretinoin-tretinoin similarity", "source_label": "alitretinoin", "target_label": "tretinoin", "cosine_similarity": 0.5281636714935303 } }, { "source": "CID:16667695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "selamectin-bithionol similarity", "source_label": "selamectin", "target_label": "bithionol", "cosine_similarity": 0.3394454419612884 } }, { "source": "CID:62824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "ICI-63197-zebularine similarity", "source_label": "ICI-63197", "target_label": "zebularine", "cosine_similarity": 0.398089200258255 } }, { "source": "CID:2055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "AG-494-NSC-3852 similarity", "source_label": "AG-494", "target_label": "NSC-3852", "cosine_similarity": 0.3485172092914581 } }, { "source": "CID:5387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "telenzepine-BMS-191011 similarity", "source_label": "telenzepine", "target_label": "BMS-191011", "cosine_similarity": 0.2955238223075866 } }, { "source": "CID:44500308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658632", "properties": { "id": "SA-243193-SA-1456977 similarity", "source_label": "SA-243193", "target_label": "SA-1456977", "cosine_similarity": 0.2616735696792602 } }, { "source": "CID:9872438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "SSR-69071-K784-3187 similarity", "source_label": "SSR-69071", "target_label": "K784-3187", "cosine_similarity": 0.6417922377586365 } }, { "source": "CID:6399253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "cefdinir-arbutin similarity", "source_label": "cefdinir", "target_label": "arbutin", "cosine_similarity": 0.3798908591270447 } }, { "source": "CID:449241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "H-89-BIBU-1361 similarity", "source_label": "H-89", "target_label": "BIBU-1361", "cosine_similarity": 0.5082755088806152 } }, { "source": "CID:4018512", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92786", "properties": { "id": "2-phenylmelatonin-eltanolone similarity", "source_label": "2-phenylmelatonin", "target_label": "eltanolone", "cosine_similarity": 0.456888884305954 } }, { "source": "CID:15592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4888", "properties": { "id": "1-methylisoquinoline-pranoprofen similarity", "source_label": "1-methylisoquinoline", "target_label": "pranoprofen", "cosine_similarity": 0.1984914988279342 } }, { "source": "CID:54669335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-1919551-SA-1925610 similarity", "source_label": "SA-1919551", "target_label": "SA-1925610", "cosine_similarity": 0.2611185908317566 } }, { "source": "CID:6603931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "MRS-1754-ARG-CSC-91 similarity", "source_label": "MRS-1754", "target_label": "ARG-CSC-91", "cosine_similarity": 0.2884990572929382 } }, { "source": "CID:3248000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "3'-fluorobenzylspiperone-thapsigargin similarity", "source_label": "3'-fluorobenzylspiperone", "target_label": "thapsigargin", "cosine_similarity": 0.5729499459266663 } }, { "source": "CID:9616928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "MW-MITF24-amifostine similarity", "source_label": "MW-MITF24", "target_label": "amifostine", "cosine_similarity": 0.3186168372631073 } }, { "source": "CID:9824562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53465279", "properties": { "id": "andarine-lesinurad similarity", "source_label": "andarine", "target_label": "lesinurad", "cosine_similarity": 0.3572163879871368 } }, { "source": "CID:6520352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "K-9944-cerulenin similarity", "source_label": "K-9944", "target_label": "cerulenin", "cosine_similarity": 0.5445902347564697 } }, { "source": "CID:22693263", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7972413", "properties": { "id": "RAN-02-KB188-III-56 similarity", "source_label": "RAN-02", "target_label": "KB188-III-56", "cosine_similarity": 0.2693791091442108 } }, { "source": "CID:5353431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "BAY-11-7082-auranofin similarity", "source_label": "BAY-11-7082", "target_label": "auranofin", "cosine_similarity": 0.6444349884986877 } }, { "source": "CID:5719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "zaleplon-pritelivir similarity", "source_label": "zaleplon", "target_label": "pritelivir", "cosine_similarity": 0.3651603460311889 } }, { "source": "CID:4938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "propentofylline-levonorgestrel similarity", "source_label": "propentofylline", "target_label": "levonorgestrel", "cosine_similarity": 0.3996626734733581 } }, { "source": "CID:5385074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "kakonein-iguratimod similarity", "source_label": "kakonein", "target_label": "iguratimod", "cosine_similarity": 0.4089343845844269 } }, { "source": "CID:4701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "PD-123319-gimeracil similarity", "source_label": "PD-123319", "target_label": "gimeracil", "cosine_similarity": 0.2807764112949371 } }, { "source": "CID:42601363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "MW-STK33-22-Gly-Gly-PALO similarity", "source_label": "MW-STK33-22", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2845722436904907 } }, { "source": "CID:156391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "naproxen-orphenadrine similarity", "source_label": "naproxen", "target_label": "orphenadrine", "cosine_similarity": 0.3713786900043487 } }, { "source": "CID:1550607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "auraptene-imatinib similarity", "source_label": "auraptene", "target_label": "imatinib", "cosine_similarity": 0.2091459929943084 } }, { "source": "CID:24855958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "TCS-2002-enzastaurin similarity", "source_label": "TCS-2002", "target_label": "enzastaurin", "cosine_similarity": 0.4449184536933899 } }, { "source": "CID:51360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "KUC107191N-methylene-blue similarity", "source_label": "KUC107191N", "target_label": "methylene-blue", "cosine_similarity": 0.2782988846302032 } }, { "source": "CID:224246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "isoflupredone-acetate-budesonide similarity", "source_label": "isoflupredone-acetate", "target_label": "budesonide", "cosine_similarity": 0.3396860361099243 } }, { "source": "CID:57946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "tenidap-bucladesine similarity", "source_label": "tenidap", "target_label": "bucladesine", "cosine_similarity": 0.406606376171112 } }, { "source": "CID:108107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "benzamil-DAC-003 similarity", "source_label": "benzamil", "target_label": "DAC-003", "cosine_similarity": 0.2788431644439697 } }, { "source": "CID:23729157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "tirasemtiv-saxagliptin similarity", "source_label": "tirasemtiv", "target_label": "saxagliptin", "cosine_similarity": 0.4416162967681885 } }, { "source": "CID:91469546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "oxytetracycline-vemurafenib similarity", "source_label": "oxytetracycline", "target_label": "vemurafenib", "cosine_similarity": 0.465709239244461 } }, { "source": "CID:26937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "clobutinol-sulfamethoxypyridazine similarity", "source_label": "clobutinol", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.2796995043754577 } }, { "source": "CID:73707575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6851740", "properties": { "id": "MK-801-ispinesib similarity", "source_label": "MK-801", "target_label": "ispinesib", "cosine_similarity": 0.2373777329921722 } }, { "source": "CID:73707593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708512", "properties": { "id": "JMV-431-totaralolal similarity", "source_label": "JMV-431", "target_label": "totaralolal", "cosine_similarity": 0.1887897849082946 } }, { "source": "CID:44205240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "baricitinib-levonorgestrel similarity", "source_label": "baricitinib", "target_label": "levonorgestrel", "cosine_similarity": 0.3588769733905792 } }, { "source": "CID:16102146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "O-2050-L-ergothioneine similarity", "source_label": "O-2050", "target_label": "L-ergothioneine", "cosine_similarity": 0.3989585638046264 } }, { "source": "CID:10253795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "cefprozil-3-CPMT similarity", "source_label": "cefprozil", "target_label": "3-CPMT", "cosine_similarity": 0.4472775459289551 } }, { "source": "CID:2719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "chloroquine-Gossypetin similarity", "source_label": "chloroquine", "target_label": "Gossypetin", "cosine_similarity": 0.4119879603385925 } }, { "source": "CID:688800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "ST-057710-TW-37 similarity", "source_label": "ST-057710", "target_label": "TW-37", "cosine_similarity": 0.3786192238330841 } }, { "source": "CID:2083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489864", "properties": { "id": "salbutamol-SA-424589 similarity", "source_label": "salbutamol", "target_label": "SA-424589", "cosine_similarity": 0.2861605584621429 } }, { "source": "CID:6857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707461", "properties": { "id": "quinisocaine-flucloxacillin similarity", "source_label": "quinisocaine", "target_label": "flucloxacillin", "cosine_similarity": 0.2465368062257766 } }, { "source": "CID:57339144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167551", "properties": { "id": "UNC-1215-anacardic-acid similarity", "source_label": "UNC-1215", "target_label": "anacardic-acid", "cosine_similarity": 0.482844203710556 } }, { "source": "CID:9950038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618423", "properties": { "id": "SB-205607-SD-6-035-A1 similarity", "source_label": "SB-205607", "target_label": "SD-6-035-A1", "cosine_similarity": 0.1913002431392669 } }, { "source": "CID:656732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4688", "properties": { "id": "XE-991-pargyline similarity", "source_label": "XE-991", "target_label": "pargyline", "cosine_similarity": 0.2754677832126617 } }, { "source": "CID:4644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "oxypurinol-genz-644282 similarity", "source_label": "oxypurinol", "target_label": "genz-644282", "cosine_similarity": 0.374599814414978 } }, { "source": "CID:135886613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15604015", "properties": { "id": "BG-1031-ABC-294640 similarity", "source_label": "BG-1031", "target_label": "ABC-294640", "cosine_similarity": 0.3212441205978393 } }, { "source": "CID:460", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3883", "properties": { "id": "guaiacol-lansoprazole similarity", "source_label": "guaiacol", "target_label": "lansoprazole", "cosine_similarity": 0.2369975298643112 } }, { "source": "CID:4021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "edaravone-enzastaurin similarity", "source_label": "edaravone", "target_label": "enzastaurin", "cosine_similarity": 0.3210742473602295 } }, { "source": "CID:2351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "bepridil-FIT similarity", "source_label": "bepridil", "target_label": "FIT", "cosine_similarity": 0.3197812736034393 } }, { "source": "CID:4830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "pipamperone-amikacin similarity", "source_label": "pipamperone", "target_label": "amikacin", "cosine_similarity": 0.4349667727947235 } }, { "source": "CID:449193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2771", "properties": { "id": "roflumilast-citalopram similarity", "source_label": "roflumilast", "target_label": "citalopram", "cosine_similarity": 0.4147284626960754 } }, { "source": "CID:3995234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "FGIN-1-43-tolnaftate similarity", "source_label": "FGIN-1-43", "target_label": "tolnaftate", "cosine_similarity": 0.2609538435935974 } }, { "source": "CID:54669151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "SA-1921783-SA-1455822 similarity", "source_label": "SA-1921783", "target_label": "SA-1455822", "cosine_similarity": 0.2344423085451126 } }, { "source": "CID:6852167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "PIK-93-torin-1 similarity", "source_label": "PIK-93", "target_label": "torin-1", "cosine_similarity": 0.3604202568531036 } }, { "source": "CID:44487334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "SA-89705-glutamine similarity", "source_label": "SA-89705", "target_label": "glutamine", "cosine_similarity": 0.2619896531105041 } }, { "source": "CID:3059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214346", "properties": { "id": "diflunisal-BCI-540 similarity", "source_label": "diflunisal", "target_label": "BCI-540", "cosine_similarity": 0.4012910723686218 } }, { "source": "CID:11234052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "brivanib-bicalutamide similarity", "source_label": "brivanib", "target_label": "bicalutamide", "cosine_similarity": 0.5296487212181091 } }, { "source": "CID:5284514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "acrivastine-aclidinium similarity", "source_label": "acrivastine", "target_label": "aclidinium", "cosine_similarity": 0.4676858782768249 } }, { "source": "CID:6160690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "GR-46611-tenofovir similarity", "source_label": "GR-46611", "target_label": "tenofovir", "cosine_similarity": 0.1933328211307525 } }, { "source": "CID:156314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281707", "properties": { "id": "dipropyl-5ct-coumestrol similarity", "source_label": "dipropyl-5ct", "target_label": "coumestrol", "cosine_similarity": 0.3351209163665771 } }, { "source": "CID:3902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "letrozole-etomidate similarity", "source_label": "letrozole", "target_label": "etomidate", "cosine_similarity": 0.4412643611431122 } }, { "source": "CID:2782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129211", "properties": { "id": "clemizole-tamsulosin similarity", "source_label": "clemizole", "target_label": "tamsulosin", "cosine_similarity": 0.3086784183979034 } }, { "source": "CID:153994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10228", "properties": { "id": "cleviprex-osthol similarity", "source_label": "cleviprex", "target_label": "osthol", "cosine_similarity": 0.2017046362161636 } }, { "source": "CID:50905713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24989044", "properties": { "id": "IPI-145-copanlisib similarity", "source_label": "IPI-145", "target_label": "copanlisib", "cosine_similarity": 0.4527212679386139 } }, { "source": "CID:37393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9827968", "properties": { "id": "halofantrine-GSK-256066 similarity", "source_label": "halofantrine", "target_label": "GSK-256066", "cosine_similarity": 0.3396447896957397 } }, { "source": "CID:11494970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "trap-101-clopidogrel similarity", "source_label": "trap-101", "target_label": "clopidogrel", "cosine_similarity": 0.2543345391750335 } }, { "source": "CID:5288209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "fenretinide-NSC-3852 similarity", "source_label": "fenretinide", "target_label": "NSC-3852", "cosine_similarity": 0.5668976306915283 } }, { "source": "CID:4100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16758175", "properties": { "id": "methazolamide-acivicin similarity", "source_label": "methazolamide", "target_label": "acivicin", "cosine_similarity": 0.4171252846717834 } }, { "source": "CID:176870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "erlotinib-RAF-265 similarity", "source_label": "erlotinib", "target_label": "RAF-265", "cosine_similarity": 0.6650353670120239 } }, { "source": "CID:105008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6572379", "properties": { "id": "paxilline-PSH-013 similarity", "source_label": "paxilline", "target_label": "PSH-013", "cosine_similarity": 0.2818437814712524 } }, { "source": "CID:644241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "nilotinib-GW-5074 similarity", "source_label": "nilotinib", "target_label": "GW-5074", "cosine_similarity": 0.4027334749698639 } }, { "source": "CID:54660187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1455822-SA-84905 similarity", "source_label": "SA-1455822", "target_label": "SA-84905", "cosine_similarity": 0.4013309776782989 } }, { "source": "CID:124704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "pyrazinoylguanidine-acrivastine similarity", "source_label": "pyrazinoylguanidine", "target_label": "acrivastine", "cosine_similarity": 0.498517245054245 } }, { "source": "CID:5694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "pirinixic-acid-enrofloxacin similarity", "source_label": "pirinixic-acid", "target_label": "enrofloxacin", "cosine_similarity": 0.2715337872505188 } }, { "source": "CID:73707357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9847023", "properties": { "id": "mebhydrolin-prednisolone-hemisuccinate similarity", "source_label": "mebhydrolin", "target_label": "prednisolone-hemisuccinate", "cosine_similarity": 0.2144724577665329 } }, { "source": "CID:2564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "carbinoxamine-sacubitril similarity", "source_label": "carbinoxamine", "target_label": "sacubitril", "cosine_similarity": 0.2748700678348541 } }, { "source": "CID:4031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "mebeverine-SB-216641 similarity", "source_label": "mebeverine", "target_label": "SB-216641", "cosine_similarity": 0.3188267946243286 } }, { "source": "CID:2853753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "CCT-031374-CAY-10594 similarity", "source_label": "CCT-031374", "target_label": "CAY-10594", "cosine_similarity": 0.8255056738853455 } }, { "source": "CID:54659373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "SA-1456305-SA-427228 similarity", "source_label": "SA-1456305", "target_label": "SA-427228", "cosine_similarity": 0.2723745703697204 } }, { "source": "CID:54666571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666569", "properties": { "id": "SA-1921867-SA-1920013 similarity", "source_label": "SA-1921867", "target_label": "SA-1920013", "cosine_similarity": 0.3350367844104767 } }, { "source": "CID:9416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:228398", "properties": { "id": "testosterone-enanthate-L-theanine similarity", "source_label": "testosterone-enanthate", "target_label": "L-theanine", "cosine_similarity": 0.1486668437719345 } }, { "source": "CID:178024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "ibutamoren-lacosamide similarity", "source_label": "ibutamoren", "target_label": "lacosamide", "cosine_similarity": 0.4433854818344116 } }, { "source": "CID:6855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20555075", "properties": { "id": "benzoxiquine-CGP-12177 similarity", "source_label": "benzoxiquine", "target_label": "CGP-12177", "cosine_similarity": 0.2096507102251052 } }, { "source": "CID:644076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11754511", "properties": { "id": "lypressin-BX-912 similarity", "source_label": "lypressin", "target_label": "BX-912", "cosine_similarity": 0.3025223314762115 } }, { "source": "CID:6419931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36689751", "properties": { "id": "methyl-hydantoin-tetroquinone similarity", "source_label": "methyl-hydantoin", "target_label": "tetroquinone", "cosine_similarity": 0.2743988037109375 } }, { "source": "CID:24798764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:146570", "properties": { "id": "VX-222-escitalopram similarity", "source_label": "VX-222", "target_label": "escitalopram", "cosine_similarity": 0.3926433026790619 } }, { "source": "CID:73707560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9727", "properties": { "id": "DASB-methyltyramine similarity", "source_label": "DASB", "target_label": "methyltyramine", "cosine_similarity": 0.2351049035787582 } }, { "source": "CID:2798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "clofilium-bithionol similarity", "source_label": "clofilium", "target_label": "bithionol", "cosine_similarity": 0.3974668979644775 } }, { "source": "CID:16741282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "SDM-25N-KU-C104137 similarity", "source_label": "SDM-25N", "target_label": "KU-C104137", "cosine_similarity": 0.2600200474262237 } }, { "source": "CID:64981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3428129", "properties": { "id": "arctigenin-ichthynone similarity", "source_label": "arctigenin", "target_label": "ichthynone", "cosine_similarity": 0.3791870772838592 } }, { "source": "CID:1102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312531", "properties": { "id": "spermidine-mead-acid similarity", "source_label": "spermidine", "target_label": "mead-acid", "cosine_similarity": 0.229686364531517 } }, { "source": "CID:54666567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657758", "properties": { "id": "SA-1922261-SA-1459020 similarity", "source_label": "SA-1922261", "target_label": "SA-1459020", "cosine_similarity": 0.267372578382492 } }, { "source": "CID:65863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "sertaconazole-JNJ-38877605 similarity", "source_label": "sertaconazole", "target_label": "JNJ-38877605", "cosine_similarity": 0.3783357739448547 } }, { "source": "CID:11052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "orthothymotinic-acid-estrone similarity", "source_label": "orthothymotinic-acid", "target_label": "estrone", "cosine_similarity": 0.2436432540416717 } }, { "source": "CID:831629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "alda-1-zebularine similarity", "source_label": "alda-1", "target_label": "zebularine", "cosine_similarity": 0.5457796454429626 } }, { "source": "CID:4114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208902", "properties": { "id": "methoxsalen-ramelteon similarity", "source_label": "methoxsalen", "target_label": "ramelteon", "cosine_similarity": 0.3173363208770752 } }, { "source": "CID:5063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312531", "properties": { "id": "RHC-80267-mead-acid similarity", "source_label": "RHC-80267", "target_label": "mead-acid", "cosine_similarity": 0.2903653085231781 } }, { "source": "CID:5702031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "danazol-apocynin similarity", "source_label": "danazol", "target_label": "apocynin", "cosine_similarity": 0.4107827842235565 } }, { "source": "CID:214346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952884", "properties": { "id": "BCI-540-voreloxin similarity", "source_label": "BCI-540", "target_label": "voreloxin", "cosine_similarity": 0.4099084138870239 } }, { "source": "CID:10252734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:374536", "properties": { "id": "GP-1a-RITA similarity", "source_label": "GP-1a", "target_label": "RITA", "cosine_similarity": 0.2298393547534942 } }, { "source": "CID:49766549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707378", "properties": { "id": "TL-HRAS-27-triacsin-c similarity", "source_label": "TL-HRAS-27", "target_label": "triacsin-c", "cosine_similarity": 0.2204577028751373 } }, { "source": "CID:2782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918314", "properties": { "id": "clemizole-vilazodone similarity", "source_label": "clemizole", "target_label": "vilazodone", "cosine_similarity": 0.3158223330974579 } }, { "source": "CID:123606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2355", "properties": { "id": "almotriptan-bergapten similarity", "source_label": "almotriptan", "target_label": "bergapten", "cosine_similarity": 0.5359281301498413 } }, { "source": "CID:73707382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "myriocin-Gly-Gly-PALO similarity", "source_label": "myriocin", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.5324897766113281 } }, { "source": "CID:2905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483957", "properties": { "id": "cyclopentolate-SA-424936 similarity", "source_label": "cyclopentolate", "target_label": "SA-424936", "cosine_similarity": 0.2669943869113922 } }, { "source": "CID:51003717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "CVF-SUMO-13-pifithrin-mu similarity", "source_label": "CVF-SUMO-13", "target_label": "pifithrin-mu", "cosine_similarity": 0.5691677927970886 } }, { "source": "CID:5311037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "istradefylline-Y-27632 similarity", "source_label": "istradefylline", "target_label": "Y-27632", "cosine_similarity": 0.1849460154771804 } }, { "source": "CID:10377751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "AS-605240-trametinib similarity", "source_label": "AS-605240", "target_label": "trametinib", "cosine_similarity": 0.4710165858268738 } }, { "source": "CID:101989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "androstenol-MW-MITF9 similarity", "source_label": "androstenol", "target_label": "MW-MITF9", "cosine_similarity": 0.2748652994632721 } }, { "source": "CID:4831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12625909", "properties": { "id": "pipemidic-acid-cloxacillin similarity", "source_label": "pipemidic-acid", "target_label": "cloxacillin", "cosine_similarity": 0.2618039846420288 } }, { "source": "CID:125312786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "KIN001-244-taselisib similarity", "source_label": "KIN001-244", "target_label": "taselisib", "cosine_similarity": 0.3711971044540405 } }, { "source": "CID:476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9795278", "properties": { "id": "mevalonic-acid-PNU-282987 similarity", "source_label": "mevalonic-acid", "target_label": "PNU-282987", "cosine_similarity": 0.2246977090835571 } }, { "source": "CID:73707462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "alfadolone-vecuronium similarity", "source_label": "alfadolone", "target_label": "vecuronium", "cosine_similarity": 0.2519131898880005 } }, { "source": "CID:755405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "ST-056792-K784-3131 similarity", "source_label": "ST-056792", "target_label": "K784-3131", "cosine_similarity": 0.7182767391204834 } }, { "source": "CID:1261822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "ML-193-CV-1808 similarity", "source_label": "ML-193", "target_label": "CV-1808", "cosine_similarity": 0.26503786444664 } }, { "source": "CID:5730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "ZM-336372-methotrexate similarity", "source_label": "ZM-336372", "target_label": "methotrexate", "cosine_similarity": 0.4249131083488464 } }, { "source": "CID:44601455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "WT-171-vorinostat similarity", "source_label": "WT-171", "target_label": "vorinostat", "cosine_similarity": 0.7966290712356567 } }, { "source": "CID:11676786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "AZ-628-AZD-8330 similarity", "source_label": "AZ-628", "target_label": "AZD-8330", "cosine_similarity": 0.7544682621955872 } }, { "source": "CID:8369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "larixinic-acid-Gossypetin similarity", "source_label": "larixinic-acid", "target_label": "Gossypetin", "cosine_similarity": 0.2740418016910553 } }, { "source": "CID:44462758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "PRT-062607-ibrutinib similarity", "source_label": "PRT-062607", "target_label": "ibrutinib", "cosine_similarity": 0.2995513379573822 } }, { "source": "CID:51387307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143698", "properties": { "id": "cefsulodin-KU-C103420N similarity", "source_label": "cefsulodin", "target_label": "KU-C103420N", "cosine_similarity": 0.2214255034923553 } }, { "source": "CID:3338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "fenipentol-leucovorin similarity", "source_label": "fenipentol", "target_label": "leucovorin", "cosine_similarity": 0.1954147964715957 } }, { "source": "CID:441336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "mometasone-dexamethasone similarity", "source_label": "mometasone", "target_label": "dexamethasone", "cosine_similarity": 0.3776760995388031 } }, { "source": "CID:4506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637566", "properties": { "id": "nitrazepam-nerol similarity", "source_label": "nitrazepam", "target_label": "nerol", "cosine_similarity": 0.1951281130313873 } }, { "source": "CID:10343454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135413511", "properties": { "id": "vercirnon-tirapazamine similarity", "source_label": "vercirnon", "target_label": "tirapazamine", "cosine_similarity": 0.1467800289392471 } }, { "source": "CID:10050129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "demeclocycline-molsidomine similarity", "source_label": "demeclocycline", "target_label": "molsidomine", "cosine_similarity": 0.3462125062942505 } }, { "source": "CID:5391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "temazepam-anecortave-acetate similarity", "source_label": "temazepam", "target_label": "anecortave-acetate", "cosine_similarity": 0.2142150998115539 } }, { "source": "CID:16760692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "U-0124-JAS07-006 similarity", "source_label": "U-0124", "target_label": "JAS07-006", "cosine_similarity": 0.434371143579483 } }, { "source": "CID:11364421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "BI-2536-I-BET-762 similarity", "source_label": "BI-2536", "target_label": "I-BET-762", "cosine_similarity": 0.7246454358100891 } }, { "source": "CID:5081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "Ro-15-4513-diclofenac similarity", "source_label": "Ro-15-4513", "target_label": "diclofenac", "cosine_similarity": 0.3330351710319519 } }, { "source": "CID:54654330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185223", "properties": { "id": "SA-1463814-SA-1939079 similarity", "source_label": "SA-1463814", "target_label": "SA-1939079", "cosine_similarity": 0.2187301218509674 } }, { "source": "CID:41867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296583", "properties": { "id": "epirubicin-pirarubicin similarity", "source_label": "epirubicin", "target_label": "pirarubicin", "cosine_similarity": 0.6525680422782898 } }, { "source": "CID:3455588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23986045", "properties": { "id": "ST-4075437-karakoline similarity", "source_label": "ST-4075437", "target_label": "karakoline", "cosine_similarity": 0.24738210439682 } }, { "source": "CID:54669304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107982", "properties": { "id": "SA-1922927-dihydrocapsaicin similarity", "source_label": "SA-1922927", "target_label": "dihydrocapsaicin", "cosine_similarity": 0.2168306559324264 } }, { "source": "CID:2390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4813", "properties": { "id": "AG-490-piceatannol similarity", "source_label": "AG-490", "target_label": "piceatannol", "cosine_similarity": 0.3299988210201263 } }, { "source": "CID:9956222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "YM-201636-sertraline similarity", "source_label": "YM-201636", "target_label": "sertraline", "cosine_similarity": 0.4504742622375488 } }, { "source": "CID:11292680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "ARP-101-TW-37 similarity", "source_label": "ARP-101", "target_label": "TW-37", "cosine_similarity": 0.5569365620613098 } }, { "source": "CID:108029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "RU-24969-ML-161 similarity", "source_label": "RU-24969", "target_label": "ML-161", "cosine_similarity": 0.385461151599884 } }, { "source": "CID:5320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "sulfacetamide-hemado similarity", "source_label": "sulfacetamide", "target_label": "hemado", "cosine_similarity": 0.3024235963821411 } }, { "source": "CID:3938007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "ZD-7288-setiptiline similarity", "source_label": "ZD-7288", "target_label": "setiptiline", "cosine_similarity": 0.5181260704994202 } }, { "source": "CID:4904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "pridinol-chloroxylenol similarity", "source_label": "pridinol", "target_label": "chloroxylenol", "cosine_similarity": 0.511699914932251 } }, { "source": "CID:4908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "primaquine-apocynin similarity", "source_label": "primaquine", "target_label": "apocynin", "cosine_similarity": 0.5505356192588806 } }, { "source": "CID:4694339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "UB-165-meclofenamic-acid similarity", "source_label": "UB-165", "target_label": "meclofenamic-acid", "cosine_similarity": 0.5855002403259277 } }, { "source": "CID:44617231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54618085", "properties": { "id": "SA-424371-SA-424068 similarity", "source_label": "SA-424371", "target_label": "SA-424068", "cosine_similarity": 0.2941718995571136 } }, { "source": "CID:1978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "acebutolol-imiquimod similarity", "source_label": "acebutolol", "target_label": "imiquimod", "cosine_similarity": 0.392704427242279 } }, { "source": "CID:1241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SKF-77434-gossypin similarity", "source_label": "SKF-77434", "target_label": "gossypin", "cosine_similarity": 0.3319052159786224 } }, { "source": "CID:5702106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "prednisolone-methylprednisolone similarity", "source_label": "prednisolone", "target_label": "methylprednisolone", "cosine_similarity": 0.3691746592521667 } }, { "source": "CID:5943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "carbon-tetrachloride-anethole similarity", "source_label": "carbon-tetrachloride", "target_label": "anethole", "cosine_similarity": 0.3191899359226227 } }, { "source": "CID:5282060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "heliomycin-tyrphostin-A9 similarity", "source_label": "heliomycin", "target_label": "tyrphostin-A9", "cosine_similarity": 0.7539792060852051 } }, { "source": "CID:5546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "triamterene-gimeracil similarity", "source_label": "triamterene", "target_label": "gimeracil", "cosine_similarity": 0.2612266838550567 } }, { "source": "CID:6481236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "PSI-6130-nateglinide similarity", "source_label": "PSI-6130", "target_label": "nateglinide", "cosine_similarity": 0.4692751467227936 } }, { "source": "CID:2123", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216327", "properties": { "id": "altretamine-senicapoc similarity", "source_label": "altretamine", "target_label": "senicapoc", "cosine_similarity": 0.3309901058673858 } }, { "source": "CID:16490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "flumetasone-dexamethasone similarity", "source_label": "flumetasone", "target_label": "dexamethasone", "cosine_similarity": 0.5786539316177368 } }, { "source": "CID:9836739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "PNU-74654-sorafenib similarity", "source_label": "PNU-74654", "target_label": "sorafenib", "cosine_similarity": 0.5146393179893494 } }, { "source": "CID:1550607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11960529", "properties": { "id": "auraptene-veliparib similarity", "source_label": "auraptene", "target_label": "veliparib", "cosine_similarity": 0.1950707733631134 } }, { "source": "CID:20039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39042", "properties": { "id": "dideoxyadenosine-bezafibrate similarity", "source_label": "dideoxyadenosine", "target_label": "bezafibrate", "cosine_similarity": 0.4658105373382568 } }, { "source": "CID:129009857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "tobramycin-vortioxetine similarity", "source_label": "tobramycin", "target_label": "vortioxetine", "cosine_similarity": 0.3256650269031524 } }, { "source": "CID:1797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "5-nonyloxytryptamine-suloctidil similarity", "source_label": "5-nonyloxytryptamine", "target_label": "suloctidil", "cosine_similarity": 0.6135597825050354 } }, { "source": "CID:24988881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328940", "properties": { "id": "MK-8245-bosutinib similarity", "source_label": "MK-8245", "target_label": "bosutinib", "cosine_similarity": 0.399809718132019 } }, { "source": "CID:9926791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "tofacitinib-molsidomine similarity", "source_label": "tofacitinib", "target_label": "molsidomine", "cosine_similarity": 0.6444237232208252 } }, { "source": "CID:10154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "boldine-Gossypetin similarity", "source_label": "boldine", "target_label": "Gossypetin", "cosine_similarity": 0.3139810562133789 } }, { "source": "CID:25025505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "MBX-2982-actarit similarity", "source_label": "MBX-2982", "target_label": "actarit", "cosine_similarity": 0.4184798896312713 } }, { "source": "CID:5281792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010090", "properties": { "id": "rosmarinic-acid-ginkgolide-a similarity", "source_label": "rosmarinic-acid", "target_label": "ginkgolide-a", "cosine_similarity": 0.2602300643920898 } }, { "source": "CID:6604918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11973736", "properties": { "id": "YM-976-TG-100801 similarity", "source_label": "YM-976", "target_label": "TG-100801", "cosine_similarity": 0.4723954200744629 } }, { "source": "CID:29985980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "norgestrel-fluocinolone-acetonide similarity", "source_label": "norgestrel", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.3592095971107483 } }, { "source": "CID:9888590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "HMN-214-paclitaxel similarity", "source_label": "HMN-214", "target_label": "paclitaxel", "cosine_similarity": 0.8274160623550415 } }, { "source": "CID:73707550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707537", "properties": { "id": "BG-1026-BG-1008 similarity", "source_label": "BG-1026", "target_label": "BG-1008", "cosine_similarity": 0.3938638567924499 } }, { "source": "CID:9549298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "IKK-16-niclosamide similarity", "source_label": "IKK-16", "target_label": "niclosamide", "cosine_similarity": 0.4151994884014129 } }, { "source": "CID:24989044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50905713", "properties": { "id": "copanlisib-IPI-145 similarity", "source_label": "copanlisib", "target_label": "IPI-145", "cosine_similarity": 0.4527212679386139 } }, { "source": "CID:5362119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "lisinopril-nemonapride similarity", "source_label": "lisinopril", "target_label": "nemonapride", "cosine_similarity": 0.473619669675827 } }, { "source": "CID:40469923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8982", "properties": { "id": "O-1918-nafcillin similarity", "source_label": "O-1918", "target_label": "nafcillin", "cosine_similarity": 0.2074650824069976 } }, { "source": "CID:160254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213023", "properties": { "id": "cryptotanshinone-dabigatran-etexilate similarity", "source_label": "cryptotanshinone", "target_label": "dabigatran-etexilate", "cosine_similarity": 0.3156863152980804 } }, { "source": "CID:10275777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13711", "properties": { "id": "betrixaban-torcitabine similarity", "source_label": "betrixaban", "target_label": "torcitabine", "cosine_similarity": 0.3482017815113067 } }, { "source": "CID:5281881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "flupentixol-GR-127935 similarity", "source_label": "flupentixol", "target_label": "GR-127935", "cosine_similarity": 0.5067635178565979 } }, { "source": "CID:1456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4830", "properties": { "id": "ODQ-pipamperone similarity", "source_label": "ODQ", "target_label": "pipamperone", "cosine_similarity": 0.2139494568109512 } }, { "source": "CID:72943187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "bromosporine-OTX-015 similarity", "source_label": "bromosporine", "target_label": "OTX-015", "cosine_similarity": 0.8143479824066162 } }, { "source": "CID:26533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "tiletamine-riociguat similarity", "source_label": "tiletamine", "target_label": "riociguat", "cosine_similarity": 0.2066481411457061 } }, { "source": "CID:10081070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10620479", "properties": { "id": "butyrolactone-BML-278 similarity", "source_label": "butyrolactone", "target_label": "BML-278", "cosine_similarity": 0.4264043569564819 } }, { "source": "CID:2446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:94701", "properties": { "id": "bromopride-diprotin-a similarity", "source_label": "bromopride", "target_label": "diprotin-a", "cosine_similarity": 0.2974511682987213 } }, { "source": "CID:124334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710622", "properties": { "id": "PIT-bicuculline similarity", "source_label": "PIT", "target_label": "bicuculline", "cosine_similarity": 0.2854636907577514 } }, { "source": "CID:25260757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "WYE-125132-torin-1 similarity", "source_label": "WYE-125132", "target_label": "torin-1", "cosine_similarity": 0.8495816588401794 } }, { "source": "CID:44201003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9889200", "properties": { "id": "DBPR-108-balaglitazone similarity", "source_label": "DBPR-108", "target_label": "balaglitazone", "cosine_similarity": 0.2103705704212188 } }, { "source": "CID:45489398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "VU-0415533-1-gossypol similarity", "source_label": "VU-0415533-1", "target_label": "gossypol", "cosine_similarity": 0.3272473812103271 } }, { "source": "CID:73707405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637858", "properties": { "id": "CT-200783-piperlongumine similarity", "source_label": "CT-200783", "target_label": "piperlongumine", "cosine_similarity": 0.8530777096748352 } }, { "source": "CID:151075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4171", "properties": { "id": "nepafenac-metoprolol similarity", "source_label": "nepafenac", "target_label": "metoprolol", "cosine_similarity": 0.4031126201152801 } }, { "source": "CID:6305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16725726", "properties": { "id": "tryptophan-GSK-690693 similarity", "source_label": "tryptophan", "target_label": "GSK-690693", "cosine_similarity": 0.2469865977764129 } }, { "source": "CID:4302960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "GR-103691-trifluoperazine similarity", "source_label": "GR-103691", "target_label": "trifluoperazine", "cosine_similarity": 0.3819674551486969 } }, { "source": "CID:123600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "levalbuterol-JNJ-38877605 similarity", "source_label": "levalbuterol", "target_label": "JNJ-38877605", "cosine_similarity": 0.2974109351634979 } }, { "source": "CID:73707395", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4045", "properties": { "id": "rhizocarpic-acid-mefexamide similarity", "source_label": "rhizocarpic-acid", "target_label": "mefexamide", "cosine_similarity": 0.2509846985340118 } }, { "source": "CID:20279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "cladribine-fdcyd similarity", "source_label": "cladribine", "target_label": "fdcyd", "cosine_similarity": 0.6452518105506897 } }, { "source": "CID:8616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "peucedanin-idelalisib similarity", "source_label": "peucedanin", "target_label": "idelalisib", "cosine_similarity": 0.3606056869029999 } }, { "source": "CID:16760391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1400", "properties": { "id": "VAMA-37-PP-1 similarity", "source_label": "VAMA-37", "target_label": "PP-1", "cosine_similarity": 0.3162744343280792 } }, { "source": "CID:896331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "ARG-CSC-22-EMF-csc-9 similarity", "source_label": "ARG-CSC-22", "target_label": "EMF-csc-9", "cosine_similarity": 0.3607667684555053 } }, { "source": "CID:3455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "vanoxerine-rottlerin similarity", "source_label": "vanoxerine", "target_label": "rottlerin", "cosine_similarity": 0.340507447719574 } }, { "source": "CID:1013376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135411", "properties": { "id": "tenovins-CD-437 similarity", "source_label": "tenovins", "target_label": "CD-437", "cosine_similarity": 0.2851652204990387 } }, { "source": "CID:155774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "xamoterol-TCPOBOP similarity", "source_label": "xamoterol", "target_label": "TCPOBOP", "cosine_similarity": 0.2176476418972015 } }, { "source": "CID:101989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "androstenol-vecuronium similarity", "source_label": "androstenol", "target_label": "vecuronium", "cosine_similarity": 0.2736413776874542 } }, { "source": "CID:1548887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125312786", "properties": { "id": "sulindac-KIN001-244 similarity", "source_label": "sulindac", "target_label": "KIN001-244", "cosine_similarity": 0.2650974094867706 } }, { "source": "CID:10401611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1400", "properties": { "id": "MC-1293-PP-1 similarity", "source_label": "MC-1293", "target_label": "PP-1", "cosine_similarity": 0.2556600868701935 } }, { "source": "CID:3682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92766", "properties": { "id": "ICI-118551-corynanthine similarity", "source_label": "ICI-118551", "target_label": "corynanthine", "cosine_similarity": 0.1959148943424224 } }, { "source": "CID:5353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5310966", "properties": { "id": "sulmazole-varenicline similarity", "source_label": "sulmazole", "target_label": "varenicline", "cosine_similarity": 0.3191633820533752 } }, { "source": "CID:5905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "idoxuridine-fisetin similarity", "source_label": "idoxuridine", "target_label": "fisetin", "cosine_similarity": 0.1844883263111114 } }, { "source": "CID:4817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "pifithrin-alpha-DL-TBOA similarity", "source_label": "pifithrin-alpha", "target_label": "DL-TBOA", "cosine_similarity": 0.4657146632671356 } }, { "source": "CID:23846564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5037", "properties": { "id": "butirosin-ramifenazone similarity", "source_label": "butirosin", "target_label": "ramifenazone", "cosine_similarity": 0.3171984553337097 } }, { "source": "CID:11327430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "NU-7441-I-BET-762 similarity", "source_label": "NU-7441", "target_label": "I-BET-762", "cosine_similarity": 0.5154625177383423 } }, { "source": "CID:131906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "S-14506-PF-3845 similarity", "source_label": "S-14506", "target_label": "PF-3845", "cosine_similarity": 0.2849981188774109 } }, { "source": "CID:60663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "mibefradil-RS-17053 similarity", "source_label": "mibefradil", "target_label": "RS-17053", "cosine_similarity": 0.5081512331962585 } }, { "source": "CID:658169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "ST-4028268-molsidomine similarity", "source_label": "ST-4028268", "target_label": "molsidomine", "cosine_similarity": 0.4404797852039337 } }, { "source": "CID:334007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SEW-00445-BMS-191011 similarity", "source_label": "SEW-00445", "target_label": "BMS-191011", "cosine_similarity": 0.2720124721527099 } }, { "source": "CID:44498587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "SA-425500-cyclosporin-a similarity", "source_label": "SA-425500", "target_label": "cyclosporin-a", "cosine_similarity": 0.5515314936637878 } }, { "source": "CID:16046239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "TCB2-lenalidomide similarity", "source_label": "TCB2", "target_label": "lenalidomide", "cosine_similarity": 0.2695487737655639 } }, { "source": "CID:5447130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:166558", "properties": { "id": "nitrofural-avasimibe similarity", "source_label": "nitrofural", "target_label": "avasimibe", "cosine_similarity": 0.2316761463880539 } }, { "source": "CID:44493394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "SA-90377-simvastatin similarity", "source_label": "SA-90377", "target_label": "simvastatin", "cosine_similarity": 0.2055885791778564 } }, { "source": "CID:6321414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "cefpodoxime-alosetron similarity", "source_label": "cefpodoxime", "target_label": "alosetron", "cosine_similarity": 0.2864643037319183 } }, { "source": "CID:49381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038", "properties": { "id": "fluperlapine-diclofenamide similarity", "source_label": "fluperlapine", "target_label": "diclofenamide", "cosine_similarity": 0.2264081984758377 } }, { "source": "CID:668081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280704", "properties": { "id": "selinidin-cosmosiin similarity", "source_label": "selinidin", "target_label": "cosmosiin", "cosine_similarity": 0.4126250445842743 } }, { "source": "CID:2871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "coumophos-T-0156 similarity", "source_label": "coumophos", "target_label": "T-0156", "cosine_similarity": 0.3419337868690491 } }, { "source": "CID:51371334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "idoxuridin-lodoxamide similarity", "source_label": "idoxuridin", "target_label": "lodoxamide", "cosine_similarity": 0.3104782998561859 } }, { "source": "CID:11226090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "taranabant-nateglinide similarity", "source_label": "taranabant", "target_label": "nateglinide", "cosine_similarity": 0.5338532328605652 } }, { "source": "CID:73707537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "BG-1008-vorinostat similarity", "source_label": "BG-1008", "target_label": "vorinostat", "cosine_similarity": 0.5103846192359924 } }, { "source": "CID:9681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "methysergide-PT-630 similarity", "source_label": "methysergide", "target_label": "PT-630", "cosine_similarity": 0.3193491101264953 } }, { "source": "CID:11964036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3973", "properties": { "id": "KU-0060648-LY-294002 similarity", "source_label": "KU-0060648", "target_label": "LY-294002", "cosine_similarity": 0.5619845986366272 } }, { "source": "CID:130881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "olmesartan-medoxomil-LY-2886721 similarity", "source_label": "olmesartan-medoxomil", "target_label": "LY-2886721", "cosine_similarity": 0.3683490455150604 } }, { "source": "CID:151932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "picolinic-acid-cholic-acid similarity", "source_label": "picolinic-acid", "target_label": "cholic-acid", "cosine_similarity": 0.4219377040863037 } }, { "source": "CID:6708716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "catechin-dienestrol similarity", "source_label": "catechin", "target_label": "dienestrol", "cosine_similarity": 0.3307775259017944 } }, { "source": "CID:3242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "epirizole-cefoperazone similarity", "source_label": "epirizole", "target_label": "cefoperazone", "cosine_similarity": 0.3649402558803558 } }, { "source": "CID:440936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "arbutin-2-iminobiotin similarity", "source_label": "arbutin", "target_label": "2-iminobiotin", "cosine_similarity": 0.5341336727142334 } }, { "source": "CID:2315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "bendroflumethiazide-saxagliptin similarity", "source_label": "bendroflumethiazide", "target_label": "saxagliptin", "cosine_similarity": 0.3392515480518341 } }, { "source": "CID:44620034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-427604-SA-1457188 similarity", "source_label": "SA-427604", "target_label": "SA-1457188", "cosine_similarity": 0.3864119946956634 } }, { "source": "CID:73707385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "TL-AA09-iniparib similarity", "source_label": "TL-AA09", "target_label": "iniparib", "cosine_similarity": 0.3730643391609192 } }, { "source": "CID:609483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1204", "properties": { "id": "ARC-239-epibatidine similarity", "source_label": "ARC-239", "target_label": "epibatidine", "cosine_similarity": 0.3084084987640381 } }, { "source": "CID:19009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "palmatine-chloride-sulfanitran similarity", "source_label": "palmatine-chloride", "target_label": "sulfanitran", "cosine_similarity": 0.6004714965820312 } }, { "source": "CID:3342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26937", "properties": { "id": "fenoprofen-clobutinol similarity", "source_label": "fenoprofen", "target_label": "clobutinol", "cosine_similarity": 0.2623236775398254 } }, { "source": "CID:6421522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033637", "properties": { "id": "proxyfan-nizatidine similarity", "source_label": "proxyfan", "target_label": "nizatidine", "cosine_similarity": 0.2084248512983322 } }, { "source": "CID:2802894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2438", "properties": { "id": "LY-288513-BRL-54443 similarity", "source_label": "LY-288513", "target_label": "BRL-54443", "cosine_similarity": 0.2544394731521606 } }, { "source": "CID:123692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2990", "properties": { "id": "CS-110266-dephostatin similarity", "source_label": "CS-110266", "target_label": "dephostatin", "cosine_similarity": 0.2318299412727356 } }, { "source": "CID:4775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "phenylbutyrate-valsartan similarity", "source_label": "phenylbutyrate", "target_label": "valsartan", "cosine_similarity": 0.4313164353370666 } }, { "source": "CID:44483287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "TC-2559-parecoxib similarity", "source_label": "TC-2559", "target_label": "parecoxib", "cosine_similarity": 0.2902930974960327 } }, { "source": "CID:3696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "imipramine-CHEMBL-374350 similarity", "source_label": "imipramine", "target_label": "CHEMBL-374350", "cosine_similarity": 0.4545434415340423 } }, { "source": "CID:158794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "ZD-2079-NSC-23766 similarity", "source_label": "ZD-2079", "target_label": "NSC-23766", "cosine_similarity": 0.328351080417633 } }, { "source": "CID:3341", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "fenoldopam-reboxetine similarity", "source_label": "fenoldopam", "target_label": "reboxetine", "cosine_similarity": 0.329419881105423 } }, { "source": "CID:6437862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "drotaverine-erlotinib similarity", "source_label": "drotaverine", "target_label": "erlotinib", "cosine_similarity": 0.2565128803253174 } }, { "source": "CID:47510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "lidamidine-carbamazepine similarity", "source_label": "lidamidine", "target_label": "carbamazepine", "cosine_similarity": 0.2957651317119598 } }, { "source": "CID:91469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4938", "properties": { "id": "equol-propentofylline similarity", "source_label": "equol", "target_label": "propentofylline", "cosine_similarity": 0.3292642533779144 } }, { "source": "CID:11243969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "saxagliptin-navitoclax similarity", "source_label": "saxagliptin", "target_label": "navitoclax", "cosine_similarity": 0.5287220478057861 } }, { "source": "CID:5065494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5735", "properties": { "id": "K784-3391-zopiclone similarity", "source_label": "K784-3391", "target_label": "zopiclone", "cosine_similarity": 0.2204416692256927 } }, { "source": "CID:6708600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "sarmentogenin-bufalin similarity", "source_label": "sarmentogenin", "target_label": "bufalin", "cosine_similarity": 0.8041945695877075 } }, { "source": "CID:2064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "AG-957-pifithrin-mu similarity", "source_label": "AG-957", "target_label": "pifithrin-mu", "cosine_similarity": 0.6877709031105042 } }, { "source": "CID:24772043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "tenovin-6-STA-5326 similarity", "source_label": "tenovin-6", "target_label": "STA-5326", "cosine_similarity": 0.5535047650337219 } }, { "source": "CID:25150857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24772043", "properties": { "id": "BIX-01294-tenovin-6 similarity", "source_label": "BIX-01294", "target_label": "tenovin-6", "cosine_similarity": 0.4836589992046356 } }, { "source": "CID:494471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "methyllycaconitine-FTI-276 similarity", "source_label": "methyllycaconitine", "target_label": "FTI-276", "cosine_similarity": 0.2983904182910919 } }, { "source": "CID:3341", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9824562", "properties": { "id": "fenoldopam-andarine similarity", "source_label": "fenoldopam", "target_label": "andarine", "cosine_similarity": 0.3289973735809326 } }, { "source": "CID:4993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148121", "properties": { "id": "pyrimethamine-pralatrexate similarity", "source_label": "pyrimethamine", "target_label": "pralatrexate", "cosine_similarity": 0.5381876826286316 } }, { "source": "CID:9832447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34870", "properties": { "id": "efatutazone-amineptine similarity", "source_label": "efatutazone", "target_label": "amineptine", "cosine_similarity": 0.4049978256225586 } }, { "source": "CID:5943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16659841", "properties": { "id": "carbon-tetrachloride-AZD-1480 similarity", "source_label": "carbon-tetrachloride", "target_label": "AZD-1480", "cosine_similarity": 0.3120741546154022 } }, { "source": "CID:128878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "2-iminobiotin-arbutin similarity", "source_label": "2-iminobiotin", "target_label": "arbutin", "cosine_similarity": 0.5341336727142334 } }, { "source": "CID:5597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "troxipide-quercetin similarity", "source_label": "troxipide", "target_label": "quercetin", "cosine_similarity": 0.236921027302742 } }, { "source": "CID:222786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "cortisone-FTI-276 similarity", "source_label": "cortisone", "target_label": "FTI-276", "cosine_similarity": 0.3980488777160644 } }, { "source": "CID:3168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "droperidol-ripasudil similarity", "source_label": "droperidol", "target_label": "ripasudil", "cosine_similarity": 0.2983841300010681 } }, { "source": "CID:13927312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "KU-C103443N-tyrphostin-A9 similarity", "source_label": "KU-C103443N", "target_label": "tyrphostin-A9", "cosine_similarity": 0.3000102937221527 } }, { "source": "CID:10173277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "STA-5326-GR-127935 similarity", "source_label": "STA-5326", "target_label": "GR-127935", "cosine_similarity": 0.6491381525993347 } }, { "source": "CID:44488857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-84905-SA-441181 similarity", "source_label": "SA-84905", "target_label": "SA-441181", "cosine_similarity": 0.3763538897037506 } }, { "source": "CID:3456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "GBR-12935-rifabutin similarity", "source_label": "GBR-12935", "target_label": "rifabutin", "cosine_similarity": 0.1875530928373336 } }, { "source": "CID:3894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2757788", "properties": { "id": "lavendustin-a-4-chlorophenylguanidine similarity", "source_label": "lavendustin-a", "target_label": "4-chlorophenylguanidine", "cosine_similarity": 0.2111810147762298 } }, { "source": "CID:124704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23897", "properties": { "id": "pyrazinoylguanidine-molindone similarity", "source_label": "pyrazinoylguanidine", "target_label": "molindone", "cosine_similarity": 0.599114179611206 } }, { "source": "CID:6419931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13738", "properties": { "id": "methyl-hydantoin-oxolamine similarity", "source_label": "methyl-hydantoin", "target_label": "oxolamine", "cosine_similarity": 0.1973152160644531 } }, { "source": "CID:153005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2107", "properties": { "id": "tyramine-alpha-methylserotonin similarity", "source_label": "tyramine", "target_label": "alpha-methylserotonin", "cosine_similarity": 0.2210580259561538 } }, { "source": "CID:1714884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "AC-55649-pregnenolone similarity", "source_label": "AC-55649", "target_label": "pregnenolone", "cosine_similarity": 0.4979520440101623 } }, { "source": "CID:68186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "spiramide-thapsigargin similarity", "source_label": "spiramide", "target_label": "thapsigargin", "cosine_similarity": 0.435936838388443 } }, { "source": "CID:3698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "amrinone-actarit similarity", "source_label": "amrinone", "target_label": "actarit", "cosine_similarity": 0.3497045338153839 } }, { "source": "CID:444036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "fluticasone-propionate-clobetasol similarity", "source_label": "fluticasone-propionate", "target_label": "clobetasol", "cosine_similarity": 0.6333395838737488 } }, { "source": "CID:265237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "withaferin-a-MD-II-008-P similarity", "source_label": "withaferin-a", "target_label": "MD-II-008-P", "cosine_similarity": 0.7004971504211426 } }, { "source": "CID:7456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "methylparaben-raloxifene similarity", "source_label": "methylparaben", "target_label": "raloxifene", "cosine_similarity": 0.2167997062206268 } }, { "source": "CID:5717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16678941", "properties": { "id": "zafirlukast-VX-809 similarity", "source_label": "zafirlukast", "target_label": "VX-809", "cosine_similarity": 0.3608032763004303 } }, { "source": "CID:30951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "alclofenac-ICI-162846 similarity", "source_label": "alclofenac", "target_label": "ICI-162846", "cosine_similarity": 0.349891722202301 } }, { "source": "CID:65457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "bropirimine-ropinirole similarity", "source_label": "bropirimine", "target_label": "ropinirole", "cosine_similarity": 0.3594732582569122 } }, { "source": "CID:4302960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "GR-103691-tamoxifen similarity", "source_label": "GR-103691", "target_label": "tamoxifen", "cosine_similarity": 0.3816433548927307 } }, { "source": "CID:414684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ephedrine-Gossypetin similarity", "source_label": "ephedrine", "target_label": "Gossypetin", "cosine_similarity": 0.2647743821144104 } }, { "source": "CID:644215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "CGP-60474-BMS-387032 similarity", "source_label": "CGP-60474", "target_label": "BMS-387032", "cosine_similarity": 0.8271214962005615 } }, { "source": "CID:57390074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "AP-26113-wortmannin similarity", "source_label": "AP-26113", "target_label": "wortmannin", "cosine_similarity": 0.5647108554840088 } }, { "source": "CID:40839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "vindesine-vinblastine similarity", "source_label": "vindesine", "target_label": "vinblastine", "cosine_similarity": 0.5366212725639343 } }, { "source": "CID:5920", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "liothyronine-gimeracil similarity", "source_label": "liothyronine", "target_label": "gimeracil", "cosine_similarity": 0.2093939334154129 } }, { "source": "CID:135565635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "PP-242-NVP-BEZ235 similarity", "source_label": "PP-242", "target_label": "NVP-BEZ235", "cosine_similarity": 0.3744906783103943 } }, { "source": "CID:2895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "cyclobenzaprine-berberine similarity", "source_label": "cyclobenzaprine", "target_label": "berberine", "cosine_similarity": 0.3933980166912079 } }, { "source": "CID:68740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77991", "properties": { "id": "zoledronic-acid-rivastigmine similarity", "source_label": "zoledronic-acid", "target_label": "rivastigmine", "cosine_similarity": 0.2373109310865402 } }, { "source": "CID:2950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "dantron-estropipate similarity", "source_label": "dantron", "target_label": "estropipate", "cosine_similarity": 0.2241355329751968 } }, { "source": "CID:6708518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5032", "properties": { "id": "ambelline-racephedrine similarity", "source_label": "ambelline", "target_label": "racephedrine", "cosine_similarity": 0.2430103570222854 } }, { "source": "CID:15330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "levopropoxyphene-Gossypetin similarity", "source_label": "levopropoxyphene", "target_label": "Gossypetin", "cosine_similarity": 0.2760859727859497 } }, { "source": "CID:46209426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "thiazovivin-vemurafenib similarity", "source_label": "thiazovivin", "target_label": "vemurafenib", "cosine_similarity": 0.2938075065612793 } }, { "source": "CID:1780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "eicosatetraynoic-acid-gossypin similarity", "source_label": "eicosatetraynoic-acid", "target_label": "gossypin", "cosine_similarity": 0.2737775146961212 } }, { "source": "CID:5966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46215462", "properties": { "id": "demecarium-R-428 similarity", "source_label": "demecarium", "target_label": "R-428", "cosine_similarity": 0.1787539720535278 } }, { "source": "CID:3048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4115", "properties": { "id": "dieldrin-methoxychlor similarity", "source_label": "dieldrin", "target_label": "methoxychlor", "cosine_similarity": 0.2530238628387451 } }, { "source": "CID:46931012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "BIX-02189-UNC-1215 similarity", "source_label": "BIX-02189", "target_label": "UNC-1215", "cosine_similarity": 0.2922967970371246 } }, { "source": "CID:265237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "withaferin-a-celastrol similarity", "source_label": "withaferin-a", "target_label": "celastrol", "cosine_similarity": 0.7770738005638123 } }, { "source": "CID:833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "L-citrulline-clozapine similarity", "source_label": "L-citrulline", "target_label": "clozapine", "cosine_similarity": 0.4014436602592468 } }, { "source": "CID:5311510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "GNF-2-diethylcarbamazine similarity", "source_label": "GNF-2", "target_label": "diethylcarbamazine", "cosine_similarity": 0.404278814792633 } }, { "source": "CID:3103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353", "properties": { "id": "diphenylpyraline-sulmazole similarity", "source_label": "diphenylpyraline", "target_label": "sulmazole", "cosine_similarity": 0.4193646907806396 } }, { "source": "CID:399698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "n-bromoacetyltryptamine-NSC-632839 similarity", "source_label": "n-bromoacetyltryptamine", "target_label": "NSC-632839", "cosine_similarity": 0.5664528608322144 } }, { "source": "CID:4062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "mepivacaine-molsidomine similarity", "source_label": "mepivacaine", "target_label": "molsidomine", "cosine_similarity": 0.7498531937599182 } }, { "source": "CID:122162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "luzindole-ST-4029655 similarity", "source_label": "luzindole", "target_label": "ST-4029655", "cosine_similarity": 0.2794626355171203 } }, { "source": "CID:44602374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "KU-C104122-tetrahydrouridine similarity", "source_label": "KU-C104122", "target_label": "tetrahydrouridine", "cosine_similarity": 0.2633685767650604 } }, { "source": "CID:305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8400", "properties": { "id": "choline-benzoin similarity", "source_label": "choline", "target_label": "benzoin", "cosine_similarity": 0.1875862777233123 } }, { "source": "CID:5400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "TER-14687-EMF-sumo1-39 similarity", "source_label": "TER-14687", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.3899377584457397 } }, { "source": "CID:5337997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "nifuroxazide-rhodomyrtoxin-b similarity", "source_label": "nifuroxazide", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.3512834310531616 } }, { "source": "CID:3476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "glimepiride-tolcapone similarity", "source_label": "glimepiride", "target_label": "tolcapone", "cosine_similarity": 0.33611661195755 } }, { "source": "CID:5742673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "cefotaxime-alosetron similarity", "source_label": "cefotaxime", "target_label": "alosetron", "cosine_similarity": 0.3169631361961365 } }, { "source": "CID:216327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10152654", "properties": { "id": "senicapoc-odanacatib similarity", "source_label": "senicapoc", "target_label": "odanacatib", "cosine_similarity": 0.3414154350757599 } }, { "source": "CID:59472121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11326715", "properties": { "id": "VE-822-ostarine similarity", "source_label": "VE-822", "target_label": "ostarine", "cosine_similarity": 0.1538459509611129 } }, { "source": "CID:63306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "NU-1025-AR-C133057XX similarity", "source_label": "NU-1025", "target_label": "AR-C133057XX", "cosine_similarity": 0.547150731086731 } }, { "source": "CID:10117987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2796", "properties": { "id": "preladenant-clofibrate similarity", "source_label": "preladenant", "target_label": "clofibrate", "cosine_similarity": 0.3275341391563415 } }, { "source": "CID:6212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "chloroform-idelalisib similarity", "source_label": "chloroform", "target_label": "idelalisib", "cosine_similarity": 0.2375842779874801 } }, { "source": "CID:5280569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "daphnetin-evoxine similarity", "source_label": "daphnetin", "target_label": "evoxine", "cosine_similarity": 0.2510443031787872 } }, { "source": "CID:6914657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "FK-866-PT-630 similarity", "source_label": "FK-866", "target_label": "PT-630", "cosine_similarity": 0.4350169599056244 } }, { "source": "CID:5324346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "fluvoxamine-vortioxetine similarity", "source_label": "fluvoxamine", "target_label": "vortioxetine", "cosine_similarity": 0.601546049118042 } }, { "source": "CID:29083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24965990", "properties": { "id": "caroxazone-suvorexant similarity", "source_label": "caroxazone", "target_label": "suvorexant", "cosine_similarity": 0.1490399837493896 } }, { "source": "CID:176157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "NBI-27914-MW-MITF9 similarity", "source_label": "NBI-27914", "target_label": "MW-MITF9", "cosine_similarity": 0.2517624795436859 } }, { "source": "CID:12799467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "piperacillin-genipin similarity", "source_label": "piperacillin", "target_label": "genipin", "cosine_similarity": 0.4691949784755707 } }, { "source": "CID:5362116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "delapril-topiramate similarity", "source_label": "delapril", "target_label": "topiramate", "cosine_similarity": 0.2642777264118194 } }, { "source": "CID:53245449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1133081", "properties": { "id": "TUL_XIX002-BG-1014 similarity", "source_label": "TUL_XIX002", "target_label": "BG-1014", "cosine_similarity": 0.2222556471824646 } }, { "source": "CID:90488984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "I-CBP112-lapatinib similarity", "source_label": "I-CBP112", "target_label": "lapatinib", "cosine_similarity": 0.1902713477611541 } }, { "source": "CID:1400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "PP-1-fostamatinib similarity", "source_label": "PP-1", "target_label": "fostamatinib", "cosine_similarity": 0.3786823749542236 } }, { "source": "CID:4781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6337614", "properties": { "id": "phenylbutazone-palonosetron similarity", "source_label": "phenylbutazone", "target_label": "palonosetron", "cosine_similarity": 0.3681557178497314 } }, { "source": "CID:60750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "gemcitabine-cladribine similarity", "source_label": "gemcitabine", "target_label": "cladribine", "cosine_similarity": 0.7472633719444275 } }, { "source": "CID:54657741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "SA-1456039-SA-1457810 similarity", "source_label": "SA-1456039", "target_label": "SA-1457810", "cosine_similarity": 0.2754735648632049 } }, { "source": "CID:10668061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6713958", "properties": { "id": "SCH-442416-vitexin similarity", "source_label": "SCH-442416", "target_label": "vitexin", "cosine_similarity": 0.2042030692100525 } }, { "source": "CID:65681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "isbufylline-pravastatin similarity", "source_label": "isbufylline", "target_label": "pravastatin", "cosine_similarity": 0.3119104206562042 } }, { "source": "CID:3932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "linopirdine-lorcaserin similarity", "source_label": "linopirdine", "target_label": "lorcaserin", "cosine_similarity": 0.382854551076889 } }, { "source": "CID:20345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "kinetin-riboside-SA-1447005 similarity", "source_label": "kinetin-riboside", "target_label": "SA-1447005", "cosine_similarity": 0.4609023332595825 } }, { "source": "CID:5311221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "latanoprost-imiloxan similarity", "source_label": "latanoprost", "target_label": "imiloxan", "cosine_similarity": 0.6131243705749512 } }, { "source": "CID:5709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3351", "properties": { "id": "xylometazoline-fipexide similarity", "source_label": "xylometazoline", "target_label": "fipexide", "cosine_similarity": 0.2859884798526764 } }, { "source": "CID:5013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4375", "properties": { "id": "N-methylquipazine-FG-7142 similarity", "source_label": "N-methylquipazine", "target_label": "FG-7142", "cosine_similarity": 0.2991150319576263 } }, { "source": "CID:5221450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312557", "properties": { "id": "BML-286-docosatrienoic-acid similarity", "source_label": "BML-286", "target_label": "docosatrienoic-acid", "cosine_similarity": 0.2223090678453445 } }, { "source": "CID:3039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "dichlorvos-dienestrol similarity", "source_label": "dichlorvos", "target_label": "dienestrol", "cosine_similarity": 0.2732711136341095 } }, { "source": "CID:11497983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "barasertib-eperezolid similarity", "source_label": "barasertib", "target_label": "eperezolid", "cosine_similarity": 0.2552345097064972 } }, { "source": "CID:3038485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:574780", "properties": { "id": "AZD-6765-BD-1063 similarity", "source_label": "AZD-6765", "target_label": "BD-1063", "cosine_similarity": 0.2822389304637909 } }, { "source": "CID:4935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281040", "properties": { "id": "proxymetacaine-montelukast similarity", "source_label": "proxymetacaine", "target_label": "montelukast", "cosine_similarity": 0.3439347743988037 } }, { "source": "CID:5281707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "coumestrol-selinidin similarity", "source_label": "coumestrol", "target_label": "selinidin", "cosine_similarity": 0.2985081672668457 } }, { "source": "CID:16656685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "danegaptide-granisetron similarity", "source_label": "danegaptide", "target_label": "granisetron", "cosine_similarity": 0.6127089262008667 } }, { "source": "CID:5329099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "orantinib-saxagliptin similarity", "source_label": "orantinib", "target_label": "saxagliptin", "cosine_similarity": 0.4332888424396515 } }, { "source": "CID:6708684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9989505", "properties": { "id": "scopoline-immethridine similarity", "source_label": "scopoline", "target_label": "immethridine", "cosine_similarity": 0.2919902503490448 } }, { "source": "CID:16960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "dexbrompheniramine-PSH-003 similarity", "source_label": "dexbrompheniramine", "target_label": "PSH-003", "cosine_similarity": 0.270316869020462 } }, { "source": "CID:44462760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "dabrafenib-TPCA-1 similarity", "source_label": "dabrafenib", "target_label": "TPCA-1", "cosine_similarity": 0.6463508605957031 } }, { "source": "CID:47528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "nicorandil-MW-MITF24 similarity", "source_label": "nicorandil", "target_label": "MW-MITF24", "cosine_similarity": 0.2490974962711334 } }, { "source": "CID:91930061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "bruceantin-verrucarin-a similarity", "source_label": "bruceantin", "target_label": "verrucarin-a", "cosine_similarity": 0.7986533045768738 } }, { "source": "CID:770820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "O-3M3FBS-NCS-382 similarity", "source_label": "O-3M3FBS", "target_label": "NCS-382", "cosine_similarity": 0.3443417549133301 } }, { "source": "CID:25066467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "rebastinib-doramapimod similarity", "source_label": "rebastinib", "target_label": "doramapimod", "cosine_similarity": 0.257994681596756 } }, { "source": "CID:44483336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "fluticasone-methylprednisolone similarity", "source_label": "fluticasone", "target_label": "methylprednisolone", "cosine_similarity": 0.4074606895446777 } }, { "source": "CID:9883029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4236", "properties": { "id": "orteronel-modafinil similarity", "source_label": "orteronel", "target_label": "modafinil", "cosine_similarity": 0.4126498401165008 } }, { "source": "CID:66577006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65999", "properties": { "id": "KIN001-270-telmisartan similarity", "source_label": "KIN001-270", "target_label": "telmisartan", "cosine_similarity": 0.4144348800182342 } }, { "source": "CID:73707370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5081", "properties": { "id": "TUL-XVIII076-Ro-15-4513 similarity", "source_label": "TUL-XVIII076", "target_label": "Ro-15-4513", "cosine_similarity": 0.2919432818889618 } }, { "source": "CID:158794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280704", "properties": { "id": "ZD-2079-cosmosiin similarity", "source_label": "ZD-2079", "target_label": "cosmosiin", "cosine_similarity": 0.3414883017539978 } }, { "source": "CID:6419833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "angiogenesis-inhibitor-z-leu3-VS similarity", "source_label": "angiogenesis-inhibitor", "target_label": "z-leu3-VS", "cosine_similarity": 0.374441534280777 } }, { "source": "CID:2907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "cyclophosphamide-FTI-276 similarity", "source_label": "cyclophosphamide", "target_label": "FTI-276", "cosine_similarity": 0.3657916486263275 } }, { "source": "CID:2814135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048845", "properties": { "id": "CS-2092524-TCS-359 similarity", "source_label": "CS-2092524", "target_label": "TCS-359", "cosine_similarity": 0.3240939378738403 } }, { "source": "CID:10385095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "MST-312-VU-0418933-1 similarity", "source_label": "MST-312", "target_label": "VU-0418933-1", "cosine_similarity": 0.3843227922916412 } }, { "source": "CID:107641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:864", "properties": { "id": "indobufen-thioctic-acid similarity", "source_label": "indobufen", "target_label": "thioctic-acid", "cosine_similarity": 0.4377804696559906 } }, { "source": "CID:46848036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "flumatinib-STA-5326 similarity", "source_label": "flumatinib", "target_label": "STA-5326", "cosine_similarity": 0.4018997848033905 } }, { "source": "CID:15330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2327", "properties": { "id": "levopropoxyphene-benserazide similarity", "source_label": "levopropoxyphene", "target_label": "benserazide", "cosine_similarity": 0.274236798286438 } }, { "source": "CID:3270699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "rhodomyrtoxin-b-tyrphostin-A9 similarity", "source_label": "rhodomyrtoxin-b", "target_label": "tyrphostin-A9", "cosine_similarity": 0.6919517517089844 } }, { "source": "CID:168613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "timolol-2-iminobiotin similarity", "source_label": "timolol", "target_label": "2-iminobiotin", "cosine_similarity": 0.3474445939064026 } }, { "source": "CID:6124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707421", "properties": { "id": "dimethylnitrosamine-ascorbic-acid similarity", "source_label": "dimethylnitrosamine", "target_label": "ascorbic-acid", "cosine_similarity": 0.2215931564569473 } }, { "source": "CID:54657953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "SA-1456195-myricetin similarity", "source_label": "SA-1456195", "target_label": "myricetin", "cosine_similarity": 0.285955935716629 } }, { "source": "CID:6450546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "gavestinel-felodipine similarity", "source_label": "gavestinel", "target_label": "felodipine", "cosine_similarity": 0.1792352050542831 } }, { "source": "CID:5281437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "costunolide-cerulenin similarity", "source_label": "costunolide", "target_label": "cerulenin", "cosine_similarity": 0.337704449892044 } }, { "source": "CID:5497183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "z-leu3-VS-thiostrepton similarity", "source_label": "z-leu3-VS", "target_label": "thiostrepton", "cosine_similarity": 0.7429576516151428 } }, { "source": "CID:10831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "diperodon-drofenine similarity", "source_label": "diperodon", "target_label": "drofenine", "cosine_similarity": 0.293648362159729 } }, { "source": "CID:5765514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "MW-STK33-1C-BG-STK33-55 similarity", "source_label": "MW-STK33-1C", "target_label": "BG-STK33-55", "cosine_similarity": 0.4408833384513855 } }, { "source": "CID:1133083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1133081", "properties": { "id": "BG-1013-BG-1014 similarity", "source_label": "BG-1013", "target_label": "BG-1014", "cosine_similarity": 0.4108867049217224 } }, { "source": "CID:4674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "pamidronate-lomerizine similarity", "source_label": "pamidronate", "target_label": "lomerizine", "cosine_similarity": 0.2009598761796951 } }, { "source": "CID:49871818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "JQ-1-R-GSK-J1 similarity", "source_label": "JQ-1-R", "target_label": "GSK-J1", "cosine_similarity": 0.3954420089721679 } }, { "source": "CID:44483885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54618085", "properties": { "id": "SA-244237-SA-424068 similarity", "source_label": "SA-244237", "target_label": "SA-424068", "cosine_similarity": 0.2934870719909668 } }, { "source": "CID:38521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "guanadrel-mestranol similarity", "source_label": "guanadrel", "target_label": "mestranol", "cosine_similarity": 0.4603259563446045 } }, { "source": "CID:3335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "fenbufen-BMS-191011 similarity", "source_label": "fenbufen", "target_label": "BMS-191011", "cosine_similarity": 0.3045420944690704 } }, { "source": "CID:2116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "alpha-tocopherol-ST-059620 similarity", "source_label": "alpha-tocopherol", "target_label": "ST-059620", "cosine_similarity": 0.3640705049037933 } }, { "source": "CID:5702007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "amikacin-dexloxiglumide similarity", "source_label": "amikacin", "target_label": "dexloxiglumide", "cosine_similarity": 0.7893430590629578 } }, { "source": "CID:129348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "PCO-400-UB-165 similarity", "source_label": "PCO-400", "target_label": "UB-165", "cosine_similarity": 0.3317276835441589 } }, { "source": "CID:121396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "carglumic-acid-resatorvid similarity", "source_label": "carglumic-acid", "target_label": "resatorvid", "cosine_similarity": 0.4052850306034088 } }, { "source": "CID:71329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "dofetilide-diazoxide similarity", "source_label": "dofetilide", "target_label": "diazoxide", "cosine_similarity": 0.2007002383470535 } }, { "source": "CID:17759555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "cyanoquinoline-11-vemurafenib similarity", "source_label": "cyanoquinoline-11", "target_label": "vemurafenib", "cosine_similarity": 0.3626361787319183 } }, { "source": "CID:5253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "sotalol-methazolamide similarity", "source_label": "sotalol", "target_label": "methazolamide", "cosine_similarity": 0.3565450310707092 } }, { "source": "CID:107950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "CL-218872-picolinic-acid similarity", "source_label": "CL-218872", "target_label": "picolinic-acid", "cosine_similarity": 0.352806806564331 } }, { "source": "CID:44629410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "ARG-TC-41-PTB1 similarity", "source_label": "ARG-TC-41", "target_label": "PTB1", "cosine_similarity": 0.3554247319698334 } }, { "source": "CID:11214940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92727", "properties": { "id": "erastin-lopinavir similarity", "source_label": "erastin", "target_label": "lopinavir", "cosine_similarity": 0.322713702917099 } }, { "source": "CID:5311451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "SR-142948-vecuronium similarity", "source_label": "SR-142948", "target_label": "vecuronium", "cosine_similarity": 0.2294267416000366 } }, { "source": "CID:10430360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "CC-401-YK-4279 similarity", "source_label": "CC-401", "target_label": "YK-4279", "cosine_similarity": 0.3275530934333801 } }, { "source": "CID:25150857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "BIX-01294-UNC-0638 similarity", "source_label": "BIX-01294", "target_label": "UNC-0638", "cosine_similarity": 0.5041531324386597 } }, { "source": "CID:5469318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "salirasib-L-655240 similarity", "source_label": "salirasib", "target_label": "L-655240", "cosine_similarity": 0.4368865191936493 } }, { "source": "CID:6918878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53340666", "properties": { "id": "Merck60-ACY-1215 similarity", "source_label": "Merck60", "target_label": "ACY-1215", "cosine_similarity": 0.4389596283435821 } }, { "source": "CID:3083928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3489614", "properties": { "id": "fraxidin-CGP-54626 similarity", "source_label": "fraxidin", "target_label": "CGP-54626", "cosine_similarity": 0.2569938004016876 } }, { "source": "CID:2900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "cycloheximide-verrucarin-a similarity", "source_label": "cycloheximide", "target_label": "verrucarin-a", "cosine_similarity": 0.7232570052146912 } }, { "source": "CID:73707441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "YL-60-DAC-009 similarity", "source_label": "YL-60", "target_label": "DAC-009", "cosine_similarity": 0.289129376411438 } }, { "source": "CID:54654429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4236", "properties": { "id": "SA-1472655-modafinil similarity", "source_label": "SA-1472655", "target_label": "modafinil", "cosine_similarity": 0.2765032649040222 } }, { "source": "CID:9549305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "PQ-401-dichlorobenzamil similarity", "source_label": "PQ-401", "target_label": "dichlorobenzamil", "cosine_similarity": 0.2260210961103439 } }, { "source": "CID:44503093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "SA-246522-darinaparsin similarity", "source_label": "SA-246522", "target_label": "darinaparsin", "cosine_similarity": 0.2958948910236358 } }, { "source": "CID:4306515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "SC-560-KIN001-242 similarity", "source_label": "SC-560", "target_label": "KIN001-242", "cosine_similarity": 0.2372508943080902 } }, { "source": "CID:2984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439503", "properties": { "id": "denbufylline-salicin similarity", "source_label": "denbufylline", "target_label": "salicin", "cosine_similarity": 0.2602206766605377 } }, { "source": "CID:44496365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502756", "properties": { "id": "SA-243929-SA-102695 similarity", "source_label": "SA-243929", "target_label": "SA-102695", "cosine_similarity": 0.33680459856987 } }, { "source": "CID:5291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44240264", "properties": { "id": "imatinib-SRT-1720 similarity", "source_label": "imatinib", "target_label": "SRT-1720", "cosine_similarity": 0.4881771206855774 } }, { "source": "CID:4594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "omeprazole-CV-1808 similarity", "source_label": "omeprazole", "target_label": "CV-1808", "cosine_similarity": 0.3342286050319671 } }, { "source": "CID:11570626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "MK-0893-metixene similarity", "source_label": "MK-0893", "target_label": "metixene", "cosine_similarity": 0.3651786744594574 } }, { "source": "CID:104865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "bosentan-doramapimod similarity", "source_label": "bosentan", "target_label": "doramapimod", "cosine_similarity": 0.3958346545696258 } }, { "source": "CID:44498557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186824", "properties": { "id": "SA-418993-SA-1938820 similarity", "source_label": "SA-418993", "target_label": "SA-1938820", "cosine_similarity": 0.4020450115203857 } }, { "source": "CID:446155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "fluvastatin-simvastatin similarity", "source_label": "fluvastatin", "target_label": "simvastatin", "cosine_similarity": 0.6687708497047424 } }, { "source": "CID:4906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "prilocaine-nadolol similarity", "source_label": "prilocaine", "target_label": "nadolol", "cosine_similarity": 0.2552201747894287 } }, { "source": "CID:4970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "protopine-FTI-276 similarity", "source_label": "protopine", "target_label": "FTI-276", "cosine_similarity": 0.2807911336421966 } }, { "source": "CID:139032007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2335", "properties": { "id": "avermectin-benzethonium similarity", "source_label": "avermectin", "target_label": "benzethonium", "cosine_similarity": 0.6231299638748169 } }, { "source": "CID:14182642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16960", "properties": { "id": "propanoic-acid-dexbrompheniramine similarity", "source_label": "propanoic-acid", "target_label": "dexbrompheniramine", "cosine_similarity": 0.1761297732591629 } }, { "source": "CID:44483340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "GW-6471-3'-fluorobenzylspiperone similarity", "source_label": "GW-6471", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.3064358234405517 } }, { "source": "CID:2236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "aristolochic-acid-BMS-387032 similarity", "source_label": "aristolochic-acid", "target_label": "BMS-387032", "cosine_similarity": 0.2743174135684967 } }, { "source": "CID:445858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "ferulic-acid-iodoquinol similarity", "source_label": "ferulic-acid", "target_label": "iodoquinol", "cosine_similarity": 0.3937377631664276 } }, { "source": "CID:28061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "ornidazole-EMF-csc-9 similarity", "source_label": "ornidazole", "target_label": "EMF-csc-9", "cosine_similarity": 0.320505678653717 } }, { "source": "CID:5312145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "Ro-04-6790-rutin similarity", "source_label": "Ro-04-6790", "target_label": "rutin", "cosine_similarity": 0.3031403422355652 } }, { "source": "CID:56949517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "GSK-2636771-lorcaserin similarity", "source_label": "GSK-2636771", "target_label": "lorcaserin", "cosine_similarity": 0.4737333059310913 } }, { "source": "CID:16351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "clotiapine-furazolidone similarity", "source_label": "clotiapine", "target_label": "furazolidone", "cosine_similarity": 0.340286523103714 } }, { "source": "CID:2678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "cetirizine-zolpidem similarity", "source_label": "cetirizine", "target_label": "zolpidem", "cosine_similarity": 0.2890447676181793 } }, { "source": "CID:122173063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "GSK-J2-KIN001-055 similarity", "source_label": "GSK-J2", "target_label": "KIN001-055", "cosine_similarity": 0.6783984899520874 } }, { "source": "CID:71329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "dofetilide-PTB1 similarity", "source_label": "dofetilide", "target_label": "PTB1", "cosine_similarity": 0.1993632912635803 } }, { "source": "CID:5316606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "piceid-acetazolamide similarity", "source_label": "piceid", "target_label": "acetazolamide", "cosine_similarity": 0.2687247395515442 } }, { "source": "CID:5419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "tetryzoline-IDRA-21 similarity", "source_label": "tetryzoline", "target_label": "IDRA-21", "cosine_similarity": 0.2914008200168609 } }, { "source": "CID:60937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "tiludronate-luliconazole similarity", "source_label": "tiludronate", "target_label": "luliconazole", "cosine_similarity": 0.3234741687774658 } }, { "source": "CID:2145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1370", "properties": { "id": "aminoglutethimide-CX-516 similarity", "source_label": "aminoglutethimide", "target_label": "CX-516", "cosine_similarity": 0.4473045766353607 } }, { "source": "CID:24151277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "nikkomycin-JAS07-006 similarity", "source_label": "nikkomycin", "target_label": "JAS07-006", "cosine_similarity": 0.3920130133628845 } }, { "source": "CID:54667389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613797", "properties": { "id": "SA-1919345-SA-440968 similarity", "source_label": "SA-1919345", "target_label": "SA-440968", "cosine_similarity": 0.2776905298233032 } }, { "source": "CID:60187506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44495084", "properties": { "id": "SA-1937516-SA-440772 similarity", "source_label": "SA-1937516", "target_label": "SA-440772", "cosine_similarity": 0.305921196937561 } }, { "source": "CID:1983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "paracetamol-marbofloxacin similarity", "source_label": "paracetamol", "target_label": "marbofloxacin", "cosine_similarity": 0.3498032689094543 } }, { "source": "CID:5401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "terazosin-phenothiazine similarity", "source_label": "terazosin", "target_label": "phenothiazine", "cosine_similarity": 0.2800670862197876 } }, { "source": "CID:23902994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65747", "properties": { "id": "BL-077-reserpic-acid similarity", "source_label": "BL-077", "target_label": "reserpic-acid", "cosine_similarity": 0.247476652264595 } }, { "source": "CID:5161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682040", "properties": { "id": "sasapyrine-BMS-707035 similarity", "source_label": "sasapyrine", "target_label": "BMS-707035", "cosine_similarity": 0.3509286940097809 } }, { "source": "CID:44602376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "KU-C104127-phenethyl-isothiocyanate similarity", "source_label": "KU-C104127", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.2134377658367157 } }, { "source": "CID:4668801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "ITE-rotundine similarity", "source_label": "ITE", "target_label": "rotundine", "cosine_similarity": 0.2128898054361343 } }, { "source": "CID:4431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "NAN-190-mesoridazine similarity", "source_label": "NAN-190", "target_label": "mesoridazine", "cosine_similarity": 0.1746902018785476 } }, { "source": "CID:54660437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-1459714-SA-417716 similarity", "source_label": "SA-1459714", "target_label": "SA-417716", "cosine_similarity": 0.3634766042232513 } }, { "source": "CID:5702076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "isoxsuprine-DL-TBOA similarity", "source_label": "isoxsuprine", "target_label": "DL-TBOA", "cosine_similarity": 0.2956112921237945 } }, { "source": "CID:1918543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "MW-STK33-2B-BG-STK33-55 similarity", "source_label": "MW-STK33-2B", "target_label": "BG-STK33-55", "cosine_similarity": 0.679214358329773 } }, { "source": "CID:44483885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494424", "properties": { "id": "SA-244237-SA-103021 similarity", "source_label": "SA-244237", "target_label": "SA-103021", "cosine_similarity": 0.3287166953086853 } }, { "source": "CID:25067890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "RK-682-RU-24969 similarity", "source_label": "RK-682", "target_label": "RU-24969", "cosine_similarity": 0.3596754968166351 } }, { "source": "CID:4369524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "tanaproget-dabrafenib similarity", "source_label": "tanaproget", "target_label": "dabrafenib", "cosine_similarity": 0.391625314950943 } }, { "source": "CID:9910224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "zibotentan-JW-55 similarity", "source_label": "zibotentan", "target_label": "JW-55", "cosine_similarity": 0.2728767096996307 } }, { "source": "CID:3736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17277", "properties": { "id": "iopromide-methyl-dopate similarity", "source_label": "iopromide", "target_label": "methyl-dopate", "cosine_similarity": 0.2611484229564667 } }, { "source": "CID:41693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081027", "properties": { "id": "sufentanil-OCO-1112 similarity", "source_label": "sufentanil", "target_label": "OCO-1112", "cosine_similarity": 0.3231787979602813 } }, { "source": "CID:44483268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "hydroquinine-5-methoxytryptamine similarity", "source_label": "hydroquinine", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.2182053327560424 } }, { "source": "CID:57495783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "deforolimus-everolimus similarity", "source_label": "deforolimus", "target_label": "everolimus", "cosine_similarity": 0.8194855451583862 } }, { "source": "CID:5344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "sulfafurazole-saxagliptin similarity", "source_label": "sulfafurazole", "target_label": "saxagliptin", "cosine_similarity": 0.3117671310901642 } }, { "source": "CID:53382764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657751", "properties": { "id": "SA-1459213-SA-1458306 similarity", "source_label": "SA-1459213", "target_label": "SA-1458306", "cosine_similarity": 0.3850790560245514 } }, { "source": "CID:28871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "fentiazac-orciprenaline similarity", "source_label": "fentiazac", "target_label": "orciprenaline", "cosine_similarity": 0.2820037305355072 } }, { "source": "CID:435678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "HLI-373-PJ-34 similarity", "source_label": "HLI-373", "target_label": "PJ-34", "cosine_similarity": 0.555997908115387 } }, { "source": "CID:51039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "cefaclor-Gly-Gly-PALO similarity", "source_label": "cefaclor", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2558867037296295 } }, { "source": "CID:76033918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "methylstat-SKI-II similarity", "source_label": "methylstat", "target_label": "SKI-II", "cosine_similarity": 0.3571177124977112 } }, { "source": "CID:9547215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "bufalin-digitoxigenin similarity", "source_label": "bufalin", "target_label": "digitoxigenin", "cosine_similarity": 0.8317912817001343 } }, { "source": "CID:3100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747176", "properties": { "id": "diphenhydramine-PSH-021 similarity", "source_label": "diphenhydramine", "target_label": "PSH-021", "cosine_similarity": 0.2067314088344574 } }, { "source": "CID:4810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "moxonidine-floxuridine similarity", "source_label": "moxonidine", "target_label": "floxuridine", "cosine_similarity": 0.262892335653305 } }, { "source": "CID:4054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "memantine-DAC-009 similarity", "source_label": "memantine", "target_label": "DAC-009", "cosine_similarity": 0.2564392685890198 } }, { "source": "CID:2151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2802", "properties": { "id": "ampyrone-clonazepam similarity", "source_label": "ampyrone", "target_label": "clonazepam", "cosine_similarity": 0.1519568115472793 } }, { "source": "CID:54657753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4158", "properties": { "id": "SA-1460110-methylphenidate similarity", "source_label": "SA-1460110", "target_label": "methylphenidate", "cosine_similarity": 0.2476584464311599 } }, { "source": "CID:42642648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:30668", "properties": { "id": "ARRY-334543-lofexidine similarity", "source_label": "ARRY-334543", "target_label": "lofexidine", "cosine_similarity": 0.3249622285366058 } }, { "source": "CID:11404337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "obatoclax-trifluoperazine similarity", "source_label": "obatoclax", "target_label": "trifluoperazine", "cosine_similarity": 0.7022405862808228 } }, { "source": "CID:68085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "dictamnine-gramine similarity", "source_label": "dictamnine", "target_label": "gramine", "cosine_similarity": 0.3693957924842834 } }, { "source": "CID:2950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "dantron-PLX-4720 similarity", "source_label": "dantron", "target_label": "PLX-4720", "cosine_similarity": 0.2176377177238464 } }, { "source": "CID:2453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "broxyquinoline-3-CPMT similarity", "source_label": "broxyquinoline", "target_label": "3-CPMT", "cosine_similarity": 0.5804710388183594 } }, { "source": "CID:3033769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "raclopride-GW-5074 similarity", "source_label": "raclopride", "target_label": "GW-5074", "cosine_similarity": 0.3328822255134582 } }, { "source": "CID:4707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "PD-158780-PD-184352 similarity", "source_label": "PD-158780", "target_label": "PD-184352", "cosine_similarity": 0.5502133965492249 } }, { "source": "CID:720272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "ST-012015-UNC-0321 similarity", "source_label": "ST-012015", "target_label": "UNC-0321", "cosine_similarity": 0.3430777192115783 } }, { "source": "CID:150311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "ezetimibe-NNC-55-0396 similarity", "source_label": "ezetimibe", "target_label": "NNC-55-0396", "cosine_similarity": 0.4871963560581207 } }, { "source": "CID:11292680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "ARP-101-obatoclax similarity", "source_label": "ARP-101", "target_label": "obatoclax", "cosine_similarity": 0.5183375477790833 } }, { "source": "CID:39186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "diltiazem-tafamidis-meglumine similarity", "source_label": "diltiazem", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.2878879904747009 } }, { "source": "CID:44484569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "SA-423167-SA-441412 similarity", "source_label": "SA-423167", "target_label": "SA-441412", "cosine_similarity": 0.2067875415086746 } }, { "source": "CID:3845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4497", "properties": { "id": "kynurenic-acid-nimodipine similarity", "source_label": "kynurenic-acid", "target_label": "nimodipine", "cosine_similarity": 0.2257618904113769 } }, { "source": "CID:353825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3568", "properties": { "id": "graveoline-EI-273 similarity", "source_label": "graveoline", "target_label": "EI-273", "cosine_similarity": 0.3038147091865539 } }, { "source": "CID:4078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "mesoridazine-thiazolopyrimidine similarity", "source_label": "mesoridazine", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3601183891296386 } }, { "source": "CID:25182616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24788740", "properties": { "id": "GSK-1838705A-GDC-0068 similarity", "source_label": "GSK-1838705A", "target_label": "GDC-0068", "cosine_similarity": 0.3495983779430389 } }, { "source": "CID:91930061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "bruceantin-emetine similarity", "source_label": "bruceantin", "target_label": "emetine", "cosine_similarity": 0.8229759931564331 } }, { "source": "CID:3333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "felodipine-ABT-202 similarity", "source_label": "felodipine", "target_label": "ABT-202", "cosine_similarity": 0.5223357081413269 } }, { "source": "CID:54666592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1920683-SA-1459714 similarity", "source_label": "SA-1920683", "target_label": "SA-1459714", "cosine_similarity": 0.2600105106830597 } }, { "source": "CID:44492098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "SA-427543-JPR-3-97-17 similarity", "source_label": "SA-427543", "target_label": "JPR-3-97-17", "cosine_similarity": 0.3551368713378906 } }, { "source": "CID:5717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18381", "properties": { "id": "zafirlukast-dicloxacillin similarity", "source_label": "zafirlukast", "target_label": "dicloxacillin", "cosine_similarity": 0.3827473819255829 } }, { "source": "CID:44620013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-424294-SA-434027 similarity", "source_label": "SA-424294", "target_label": "SA-434027", "cosine_similarity": 0.394747793674469 } }, { "source": "CID:24113957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11754511", "properties": { "id": "H-9-BX-912 similarity", "source_label": "H-9", "target_label": "BX-912", "cosine_similarity": 0.3336997330188751 } }, { "source": "CID:44623834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856238", "properties": { "id": "KU-C104219-FU-JMBII227B similarity", "source_label": "KU-C104219", "target_label": "FU-JMBII227B", "cosine_similarity": 0.221482440829277 } }, { "source": "CID:609483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "ARC-239-cholic-acid similarity", "source_label": "ARC-239", "target_label": "cholic-acid", "cosine_similarity": 0.2500914931297302 } }, { "source": "CID:160020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "tetrindole-SGI-1776 similarity", "source_label": "tetrindole", "target_label": "SGI-1776", "cosine_similarity": 0.4727925360202789 } }, { "source": "CID:46902718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "KUC105208-troglitazone similarity", "source_label": "KUC105208", "target_label": "troglitazone", "cosine_similarity": 0.2609681487083435 } }, { "source": "CID:19009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71777", "properties": { "id": "palmatine-chloride-lufenuron similarity", "source_label": "palmatine-chloride", "target_label": "lufenuron", "cosine_similarity": 0.4290493726730346 } }, { "source": "CID:214347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "dapivirine-griseofulvin similarity", "source_label": "dapivirine", "target_label": "griseofulvin", "cosine_similarity": 0.6052024960517883 } }, { "source": "CID:4122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "nocodazole-dolastatin-10 similarity", "source_label": "nocodazole", "target_label": "dolastatin-10", "cosine_similarity": 0.8547263741493225 } }, { "source": "CID:57345770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11960529", "properties": { "id": "KI-20227-veliparib similarity", "source_label": "KI-20227", "target_label": "veliparib", "cosine_similarity": 0.4024620950222015 } }, { "source": "CID:415541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "U-18666A-FIT similarity", "source_label": "U-18666A", "target_label": "FIT", "cosine_similarity": 0.6063448190689087 } }, { "source": "CID:45489398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "VU-0415533-1-PLX-4720 similarity", "source_label": "VU-0415533-1", "target_label": "PLX-4720", "cosine_similarity": 0.264791190624237 } }, { "source": "CID:4767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "phenothrin-3-CPMT similarity", "source_label": "phenothrin", "target_label": "3-CPMT", "cosine_similarity": 0.7080811262130737 } }, { "source": "CID:6708582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2390", "properties": { "id": "deoxyandirobin-AG-490 similarity", "source_label": "deoxyandirobin", "target_label": "AG-490", "cosine_similarity": 0.1961969882249832 } }, { "source": "CID:73707504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1054", "properties": { "id": "etiocholanolone-pyridoxine similarity", "source_label": "etiocholanolone", "target_label": "pyridoxine", "cosine_similarity": 0.2232128977775573 } }, { "source": "CID:123924", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280567", "properties": { "id": "SNC-80-hymecromone similarity", "source_label": "SNC-80", "target_label": "hymecromone", "cosine_similarity": 0.2237153947353363 } }, { "source": "CID:73707462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3607", "properties": { "id": "alfadolone-hexetidine similarity", "source_label": "alfadolone", "target_label": "hexetidine", "cosine_similarity": 0.2305328696966171 } }, { "source": "CID:44494796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-97378-SA-1939126 similarity", "source_label": "SA-97378", "target_label": "SA-1939126", "cosine_similarity": 0.3817174732685089 } }, { "source": "CID:44603533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2756", "properties": { "id": "LY-2801653-cimetidine similarity", "source_label": "LY-2801653", "target_label": "cimetidine", "cosine_similarity": 0.2609560489654541 } }, { "source": "CID:60846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "valsartan-CGS-20625 similarity", "source_label": "valsartan", "target_label": "CGS-20625", "cosine_similarity": 0.5269050002098083 } }, { "source": "CID:5328748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "AG-370-FTI-276 similarity", "source_label": "AG-370", "target_label": "FTI-276", "cosine_similarity": 0.2760749757289886 } }, { "source": "CID:5745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "cortisone-acetate-Gly-Gly-PALO similarity", "source_label": "cortisone-acetate", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3571319878101349 } }, { "source": "CID:5537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "trequinsin-fostamatinib similarity", "source_label": "trequinsin", "target_label": "fostamatinib", "cosine_similarity": 0.2092407196760177 } }, { "source": "CID:6708762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "periplocymarin-ouabain similarity", "source_label": "periplocymarin", "target_label": "ouabain", "cosine_similarity": 0.7955570816993713 } }, { "source": "CID:5350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "sulforaphane-NSC-632839 similarity", "source_label": "sulforaphane", "target_label": "NSC-632839", "cosine_similarity": 0.5705763101577759 } }, { "source": "CID:73707373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "COT-10b-PKCbeta-inhibitor similarity", "source_label": "COT-10b", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.6039537191390991 } }, { "source": "CID:9934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4006", "properties": { "id": "timonacic-malotilate similarity", "source_label": "timonacic", "target_label": "malotilate", "cosine_similarity": 0.3599214255809784 } }, { "source": "CID:5497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "nikethamide-probucol similarity", "source_label": "nikethamide", "target_label": "probucol", "cosine_similarity": 0.3852030038833618 } }, { "source": "CID:5765514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10081070", "properties": { "id": "MW-STK33-1C-butyrolactone similarity", "source_label": "MW-STK33-1C", "target_label": "butyrolactone", "cosine_similarity": 0.2728343307971954 } }, { "source": "CID:3702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "indapamide-bicalutamide similarity", "source_label": "indapamide", "target_label": "bicalutamide", "cosine_similarity": 0.3723542988300323 } }, { "source": "CID:6321411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "cefixime-FTI-276 similarity", "source_label": "cefixime", "target_label": "FTI-276", "cosine_similarity": 0.3869081437587738 } }, { "source": "CID:2900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "cycloheximide-emetine similarity", "source_label": "cycloheximide", "target_label": "emetine", "cosine_similarity": 0.8145956993103027 } }, { "source": "CID:5591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "troglitazone-dienestrol similarity", "source_label": "troglitazone", "target_label": "dienestrol", "cosine_similarity": 0.4580934047698974 } }, { "source": "CID:5328768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "TYRPHOSTIN-46-APO-866 similarity", "source_label": "TYRPHOSTIN-46", "target_label": "APO-866", "cosine_similarity": 0.3267405331134796 } }, { "source": "CID:1676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "enprofylline-actarit similarity", "source_label": "enprofylline", "target_label": "actarit", "cosine_similarity": 0.3985214829444885 } }, { "source": "CID:3655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "velnacrine-GW-501516 similarity", "source_label": "velnacrine", "target_label": "GW-501516", "cosine_similarity": 0.2123746573925018 } }, { "source": "CID:45281794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "VU-0365114-2-vinorelbine similarity", "source_label": "VU-0365114-2", "target_label": "vinorelbine", "cosine_similarity": 0.452386736869812 } }, { "source": "CID:46943243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "VU-0424182-2-carbamazepine similarity", "source_label": "VU-0424182-2", "target_label": "carbamazepine", "cosine_similarity": 0.2744847238063812 } }, { "source": "CID:5666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282381", "properties": { "id": "viloxazine-misoprostol similarity", "source_label": "viloxazine", "target_label": "misoprostol", "cosine_similarity": 0.2274360656738281 } }, { "source": "CID:23727689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47510", "properties": { "id": "almorexant-lidamidine similarity", "source_label": "almorexant", "target_label": "lidamidine", "cosine_similarity": 0.3092080950736999 } }, { "source": "CID:2733529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "baccatin-III-docetaxel similarity", "source_label": "baccatin-III", "target_label": "docetaxel", "cosine_similarity": 0.3229676783084869 } }, { "source": "CID:46925839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11705608", "properties": { "id": "SD-6-035-A4-APD-668 similarity", "source_label": "SD-6-035-A4", "target_label": "APD-668", "cosine_similarity": 0.1903742551803589 } }, { "source": "CID:4848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "pirenzepine-vinburnine similarity", "source_label": "pirenzepine", "target_label": "vinburnine", "cosine_similarity": 0.2454377710819244 } }, { "source": "CID:10020353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "SKF-83822-vecuronium similarity", "source_label": "SKF-83822", "target_label": "vecuronium", "cosine_similarity": 0.23813197016716 } }, { "source": "CID:227112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "reichstein-SA-1921996 similarity", "source_label": "reichstein", "target_label": "SA-1921996", "cosine_similarity": 0.1956109404563903 } }, { "source": "CID:119034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "asiatic-acid-gliclazide similarity", "source_label": "asiatic-acid", "target_label": "gliclazide", "cosine_similarity": 0.5329925417900085 } }, { "source": "CID:5284513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "acitretin-alitretinoin similarity", "source_label": "acitretin", "target_label": "alitretinoin", "cosine_similarity": 0.303528219461441 } }, { "source": "CID:40632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "pirfenidone-marbofloxacin similarity", "source_label": "pirfenidone", "target_label": "marbofloxacin", "cosine_similarity": 0.4436057507991791 } }, { "source": "CID:24875320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24880028", "properties": { "id": "ALW-II-49-7-ALW-II-38-3 similarity", "source_label": "ALW-II-49-7", "target_label": "ALW-II-38-3", "cosine_similarity": 0.3844450712203979 } }, { "source": "CID:5078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3969", "properties": { "id": "rizatriptan-tomelukast similarity", "source_label": "rizatriptan", "target_label": "tomelukast", "cosine_similarity": 0.384392648935318 } }, { "source": "CID:38945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "tocainide-DC-45-A2 similarity", "source_label": "tocainide", "target_label": "DC-45-A2", "cosine_similarity": 0.2674573361873626 } }, { "source": "CID:44632017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "YK-4279-fumonisin-b1 similarity", "source_label": "YK-4279", "target_label": "fumonisin-b1", "cosine_similarity": 0.5432633757591248 } }, { "source": "CID:10461815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "PHA-665752-tetrandrine similarity", "source_label": "PHA-665752", "target_label": "tetrandrine", "cosine_similarity": 0.4144270122051239 } }, { "source": "CID:4018928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17134", "properties": { "id": "sulpiride-sulfadoxine similarity", "source_label": "sulpiride", "target_label": "sulfadoxine", "cosine_similarity": 0.4967212677001953 } }, { "source": "CID:40461270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "lenalidomide-PT-630 similarity", "source_label": "lenalidomide", "target_label": "PT-630", "cosine_similarity": 0.5254676342010498 } }, { "source": "CID:5758458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "thiazolopyrimidine-prima-1-met similarity", "source_label": "thiazolopyrimidine", "target_label": "prima-1-met", "cosine_similarity": 0.5305312275886536 } }, { "source": "CID:60835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445580", "properties": { "id": "duloxetine-doconexent similarity", "source_label": "duloxetine", "target_label": "doconexent", "cosine_similarity": 0.3262164890766144 } }, { "source": "CID:54613797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1359", "properties": { "id": "SA-440968-TRIM similarity", "source_label": "SA-440968", "target_label": "TRIM", "cosine_similarity": 0.2838708460330963 } }, { "source": "CID:4698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649154", "properties": { "id": "PCA-4248-tegobuvir similarity", "source_label": "PCA-4248", "target_label": "tegobuvir", "cosine_similarity": 0.2024333924055099 } }, { "source": "CID:92727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "lopinavir-ABT-737 similarity", "source_label": "lopinavir", "target_label": "ABT-737", "cosine_similarity": 0.4941785335540771 } }, { "source": "CID:4377504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "CFM-2-griseofulvin similarity", "source_label": "CFM-2", "target_label": "griseofulvin", "cosine_similarity": 0.319564551115036 } }, { "source": "CID:4770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71781", "properties": { "id": "phenprobamate-MDL-11939 similarity", "source_label": "phenprobamate", "target_label": "MDL-11939", "cosine_similarity": 0.239554762840271 } }, { "source": "CID:4043357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "hemado-tetrahydrouridine similarity", "source_label": "hemado", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4497850239276886 } }, { "source": "CID:3247059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "epoxycholesterol-betamethasone similarity", "source_label": "epoxycholesterol", "target_label": "betamethasone", "cosine_similarity": 0.2860625982284546 } }, { "source": "CID:44507272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918878", "properties": { "id": "K1448-Merck60 similarity", "source_label": "K1448", "target_label": "Merck60", "cosine_similarity": 0.2572846114635467 } }, { "source": "CID:57345770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "KI-20227-GSK-429286A similarity", "source_label": "KI-20227", "target_label": "GSK-429286A", "cosine_similarity": 0.4076672196388244 } }, { "source": "CID:6419833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "angiogenesis-inhibitor-KM-03949SC similarity", "source_label": "angiogenesis-inhibitor", "target_label": "KM-03949SC", "cosine_similarity": 0.3433559238910675 } }, { "source": "CID:51576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "acifran-bicalutamide similarity", "source_label": "acifran", "target_label": "bicalutamide", "cosine_similarity": 0.5219500660896301 } }, { "source": "CID:657237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "fludarabine-roscovitine similarity", "source_label": "fludarabine", "target_label": "roscovitine", "cosine_similarity": 0.4023995995521545 } }, { "source": "CID:73265271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "LY-2886721-SB-683698 similarity", "source_label": "LY-2886721", "target_label": "SB-683698", "cosine_similarity": 0.5508902668952942 } }, { "source": "CID:2948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659840", "properties": { "id": "damnacanthal-vesamicol similarity", "source_label": "damnacanthal", "target_label": "vesamicol", "cosine_similarity": 0.3091438114643097 } }, { "source": "CID:44493394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126280", "properties": { "id": "SA-90377-indatraline similarity", "source_label": "SA-90377", "target_label": "indatraline", "cosine_similarity": 0.206190213561058 } }, { "source": "CID:3034034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "quinine-pinacidil similarity", "source_label": "quinine", "target_label": "pinacidil", "cosine_similarity": 0.6170079112052917 } }, { "source": "CID:4687238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "L-693403-prima-1-met similarity", "source_label": "L-693403", "target_label": "prima-1-met", "cosine_similarity": 0.2076613903045654 } }, { "source": "CID:5329480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "GW-583340-AZD-8330 similarity", "source_label": "GW-583340", "target_label": "AZD-8330", "cosine_similarity": 0.2711782455444336 } }, { "source": "CID:54657731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "SA-1458689-SA-1458026 similarity", "source_label": "SA-1458689", "target_label": "SA-1458026", "cosine_similarity": 0.3335023820400238 } }, { "source": "CID:3272300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "SB-203186-pepstatin similarity", "source_label": "SB-203186", "target_label": "pepstatin", "cosine_similarity": 0.4632322788238525 } }, { "source": "CID:5281365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "geranylgeraniol-Gossypetin similarity", "source_label": "geranylgeraniol", "target_label": "Gossypetin", "cosine_similarity": 0.224090039730072 } }, { "source": "CID:4369270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "digitoxigenin-ouabain similarity", "source_label": "digitoxigenin", "target_label": "ouabain", "cosine_similarity": 0.8583874106407166 } }, { "source": "CID:11450633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "alogliptin-dienestrol similarity", "source_label": "alogliptin", "target_label": "dienestrol", "cosine_similarity": 0.3711842000484466 } }, { "source": "CID:54658969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4817", "properties": { "id": "SA-1457797-pifithrin-alpha similarity", "source_label": "SA-1457797", "target_label": "pifithrin-alpha", "cosine_similarity": 0.307311475276947 } }, { "source": "CID:10154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "boldine-valsartan similarity", "source_label": "boldine", "target_label": "valsartan", "cosine_similarity": 0.2813193500041961 } }, { "source": "CID:5803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "tiratricol-PT-630 similarity", "source_label": "tiratricol", "target_label": "PT-630", "cosine_similarity": 0.2503851950168609 } }, { "source": "CID:3542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "H-7-AG-14361 similarity", "source_label": "H-7", "target_label": "AG-14361", "cosine_similarity": 0.3515832424163818 } }, { "source": "CID:44623839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "KU-C104233-methotrexate similarity", "source_label": "KU-C104233", "target_label": "methotrexate", "cosine_similarity": 0.2414652854204177 } }, { "source": "CID:46911863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "JNJ-38877605-VX-745 similarity", "source_label": "JNJ-38877605", "target_label": "VX-745", "cosine_similarity": 0.4739113748073578 } }, { "source": "CID:73707359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "L-ascorbyl-6-palmitate-SA-102096 similarity", "source_label": "L-ascorbyl-6-palmitate", "target_label": "SA-102096", "cosine_similarity": 0.2469302713871002 } }, { "source": "CID:4173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "metronidazole-ixazomib similarity", "source_label": "metronidazole", "target_label": "ixazomib", "cosine_similarity": 0.3576606512069702 } }, { "source": "CID:42628535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843772", "properties": { "id": "XMD-1185H-XMD-892 similarity", "source_label": "XMD-1185H", "target_label": "XMD-892", "cosine_similarity": 0.3654661178588867 } }, { "source": "CID:5350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "sulforaphane-RS-I-002-6 similarity", "source_label": "sulforaphane", "target_label": "RS-I-002-6", "cosine_similarity": 0.5726231336593628 } }, { "source": "CID:24872560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "ARN-509-VX-222 similarity", "source_label": "ARN-509", "target_label": "VX-222", "cosine_similarity": 0.2637721598148346 } }, { "source": "CID:4995951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "PD-102807-GR-127935 similarity", "source_label": "PD-102807", "target_label": "GR-127935", "cosine_similarity": 0.537440836429596 } }, { "source": "CID:4990100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5351542", "properties": { "id": "kynuramine-morphothebaine similarity", "source_label": "kynuramine", "target_label": "morphothebaine", "cosine_similarity": 0.2102505266666412 } }, { "source": "CID:44490413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-432998-FTI-276 similarity", "source_label": "SA-432998", "target_label": "FTI-276", "cosine_similarity": 0.3645930588245392 } }, { "source": "CID:11595431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "GW-9508-MW-STK33-4C similarity", "source_label": "GW-9508", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3605190217494964 } }, { "source": "CID:54688261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9832447", "properties": { "id": "warfarin-efatutazone similarity", "source_label": "warfarin", "target_label": "efatutazone", "cosine_similarity": 0.4087459146976471 } }, { "source": "CID:2351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "bepridil-tetrandrine similarity", "source_label": "bepridil", "target_label": "tetrandrine", "cosine_similarity": 0.3260948657989502 } }, { "source": "CID:25429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "carbendazim-furazolidone similarity", "source_label": "carbendazim", "target_label": "furazolidone", "cosine_similarity": 0.3190861344337463 } }, { "source": "CID:60185177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184895", "properties": { "id": "SA-1925246-SA-1939938 similarity", "source_label": "SA-1925246", "target_label": "SA-1939938", "cosine_similarity": 0.5218443274497986 } }, { "source": "CID:36811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "dobutamine-TUL-XXI039 similarity", "source_label": "dobutamine", "target_label": "TUL-XXI039", "cosine_similarity": 0.2217759191989898 } }, { "source": "CID:5282381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009857", "properties": { "id": "misoprostol-tobramycin similarity", "source_label": "misoprostol", "target_label": "tobramycin", "cosine_similarity": 0.2041031420230865 } }, { "source": "CID:5702153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:161591", "properties": { "id": "cinchonine-chaetocin similarity", "source_label": "cinchonine", "target_label": "chaetocin", "cosine_similarity": 0.2131258696317672 } }, { "source": "CID:7972413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "KB188-III-56-evoxine similarity", "source_label": "KB188-III-56", "target_label": "evoxine", "cosine_similarity": 0.3447093367576599 } }, { "source": "CID:44616591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-427069-SA-1919248 similarity", "source_label": "SA-427069", "target_label": "SA-1919248", "cosine_similarity": 0.2849959433078766 } }, { "source": "CID:5225092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "westcort-dexamethasone similarity", "source_label": "westcort", "target_label": "dexamethasone", "cosine_similarity": 0.2366829663515091 } }, { "source": "CID:10297043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "AEE-788-MLN-9708 similarity", "source_label": "AEE-788", "target_label": "MLN-9708", "cosine_similarity": 0.2638786137104034 } }, { "source": "CID:54658844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658969", "properties": { "id": "SA-1457992-SA-1457797 similarity", "source_label": "SA-1457992", "target_label": "SA-1457797", "cosine_similarity": 0.2457647919654846 } }, { "source": "CID:8480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "carbarsone-etomidate similarity", "source_label": "carbarsone", "target_label": "etomidate", "cosine_similarity": 0.2564707696437835 } }, { "source": "CID:134018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "febuxostat-CO-102862 similarity", "source_label": "febuxostat", "target_label": "CO-102862", "cosine_similarity": 0.3554190397262573 } }, { "source": "CID:9911463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4259181", "properties": { "id": "GW-405833-SCH-79797 similarity", "source_label": "GW-405833", "target_label": "SCH-79797", "cosine_similarity": 0.4438978433609009 } }, { "source": "CID:44500998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483939", "properties": { "id": "SA-245650-SA-1944378 similarity", "source_label": "SA-245650", "target_label": "SA-1944378", "cosine_similarity": 0.3283377885818481 } }, { "source": "CID:2406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "bithionol-AG-592 similarity", "source_label": "bithionol", "target_label": "AG-592", "cosine_similarity": 0.6875237226486206 } }, { "source": "CID:4302964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155806", "properties": { "id": "KU-14R-MMPX similarity", "source_label": "KU-14R", "target_label": "MMPX", "cosine_similarity": 0.2966760694980621 } }, { "source": "CID:5169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "SB-202190-LY-2365109 similarity", "source_label": "SB-202190", "target_label": "LY-2365109", "cosine_similarity": 0.3261468410491943 } }, { "source": "CID:2480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2768", "properties": { "id": "butacaine-dichlorodiamine-platinum similarity", "source_label": "butacaine", "target_label": "dichlorodiamine-platinum", "cosine_similarity": 0.1965284347534179 } }, { "source": "CID:54658423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-1460008-SA-1939915 similarity", "source_label": "SA-1460008", "target_label": "SA-1939915", "cosine_similarity": 0.3884699642658233 } }, { "source": "CID:19582717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "CHEMBL-1222381-entinostat similarity", "source_label": "CHEMBL-1222381", "target_label": "entinostat", "cosine_similarity": 0.5683656334877014 } }, { "source": "CID:3646984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "F-1061-0166-SA-792709 similarity", "source_label": "F-1061-0166", "target_label": "SA-792709", "cosine_similarity": 0.5638720393180847 } }, { "source": "CID:49867930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "RG-4733-metixene similarity", "source_label": "RG-4733", "target_label": "metixene", "cosine_similarity": 0.3579524457454681 } }, { "source": "CID:10296883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "sotrastaurin-troglitazone similarity", "source_label": "sotrastaurin", "target_label": "troglitazone", "cosine_similarity": 0.2763035297393799 } }, { "source": "CID:57379345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "ceritinib-DL-PDMP similarity", "source_label": "ceritinib", "target_label": "DL-PDMP", "cosine_similarity": 0.5961697101593018 } }, { "source": "CID:5287953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "tipiracil-conivaptan similarity", "source_label": "tipiracil", "target_label": "conivaptan", "cosine_similarity": 0.5470319390296936 } }, { "source": "CID:4195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4450", "properties": { "id": "midodrine-nefopam similarity", "source_label": "midodrine", "target_label": "nefopam", "cosine_similarity": 0.2807109355926513 } }, { "source": "CID:906542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "STK-249718-ryuvidine similarity", "source_label": "STK-249718", "target_label": "ryuvidine", "cosine_similarity": 0.6782341599464417 } }, { "source": "CID:5311454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "stiripentol-estradiol-cypionate similarity", "source_label": "stiripentol", "target_label": "estradiol-cypionate", "cosine_similarity": 0.2078199088573455 } }, { "source": "CID:4567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "buphenine-GSK-429286A similarity", "source_label": "buphenine", "target_label": "GSK-429286A", "cosine_similarity": 0.3018798232078552 } }, { "source": "CID:24905203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "PP-110-PIK-90 similarity", "source_label": "PP-110", "target_label": "PIK-90", "cosine_similarity": 0.6642540097236633 } }, { "source": "CID:54666573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "SA-1919875-WHI-P154 similarity", "source_label": "SA-1919875", "target_label": "WHI-P154", "cosine_similarity": 0.3185597956180572 } }, { "source": "CID:3816756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "AT-SUMO-1-EMF-sumo1-11 similarity", "source_label": "AT-SUMO-1", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.6939389705657959 } }, { "source": "CID:4423427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6473767", "properties": { "id": "ST-019366-picrotoxin similarity", "source_label": "ST-019366", "target_label": "picrotoxin", "cosine_similarity": 0.1951140314340591 } }, { "source": "CID:5353609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "erbstatin-analog-sulforaphane similarity", "source_label": "erbstatin-analog", "target_label": "sulforaphane", "cosine_similarity": 0.4303656220436096 } }, { "source": "CID:1176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033825", "properties": { "id": "urea-levosimendan similarity", "source_label": "urea", "target_label": "levosimendan", "cosine_similarity": 0.4327311813831329 } }, { "source": "CID:5702069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "hydrocortisone-hemisuccinate-hydrocortisone-acetate similarity", "source_label": "hydrocortisone-hemisuccinate", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3643927574157715 } }, { "source": "CID:49836027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "torin-1-AZD-8055 similarity", "source_label": "torin-1", "target_label": "AZD-8055", "cosine_similarity": 0.8778050541877747 } }, { "source": "CID:5382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "TCPOBOP-ST-059620 similarity", "source_label": "TCPOBOP", "target_label": "ST-059620", "cosine_similarity": 0.363729327917099 } }, { "source": "CID:72430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "MDL-28170-BG-STK33-55 similarity", "source_label": "MDL-28170", "target_label": "BG-STK33-55", "cosine_similarity": 0.3689090311527252 } }, { "source": "CID:2266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "azelaic-acid-tafamidis-meglumine similarity", "source_label": "azelaic-acid", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.3392275869846344 } }, { "source": "CID:6303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "cordycepin-bemegride similarity", "source_label": "cordycepin", "target_label": "bemegride", "cosine_similarity": 0.3731964826583862 } }, { "source": "CID:73707463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "lymecycline-leu-enkephalin similarity", "source_label": "lymecycline", "target_label": "leu-enkephalin", "cosine_similarity": 0.2186277508735656 } }, { "source": "CID:101498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "5-FP-alpha-tocopherol similarity", "source_label": "5-FP", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2564988136291504 } }, { "source": "CID:44484798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "SA-89735-SA-90471 similarity", "source_label": "SA-89735", "target_label": "SA-90471", "cosine_similarity": 0.4219580292701721 } }, { "source": "CID:3226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "enflurane-rimonabant similarity", "source_label": "enflurane", "target_label": "rimonabant", "cosine_similarity": 0.1866782009601593 } }, { "source": "CID:19003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:170344", "properties": { "id": "ciclacillin-etifenin similarity", "source_label": "ciclacillin", "target_label": "etifenin", "cosine_similarity": 0.3330265879631042 } }, { "source": "CID:22228376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329102", "properties": { "id": "GW-441756-sunitinib similarity", "source_label": "GW-441756", "target_label": "sunitinib", "cosine_similarity": 0.3201273679733276 } }, { "source": "CID:39836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5253", "properties": { "id": "L-NAME-sotalol similarity", "source_label": "L-NAME", "target_label": "sotalol", "cosine_similarity": 0.3741118907928467 } }, { "source": "CID:2275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561383", "properties": { "id": "sodium-gualenate-nesbuvir similarity", "source_label": "sodium-gualenate", "target_label": "nesbuvir", "cosine_similarity": 0.6164885759353638 } }, { "source": "CID:53245456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "TUL_XIX003-BG-STK33-03 similarity", "source_label": "TUL_XIX003", "target_label": "BG-STK33-03", "cosine_similarity": 0.5734400749206543 } }, { "source": "CID:2949965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "importazole-CAY-10594 similarity", "source_label": "importazole", "target_label": "CAY-10594", "cosine_similarity": 0.600106418132782 } }, { "source": "CID:5210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "sibutramine-KU-C104140 similarity", "source_label": "sibutramine", "target_label": "KU-C104140", "cosine_similarity": 0.3566908836364746 } }, { "source": "CID:44508028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667404", "properties": { "id": "SA-247582-SA-1919877 similarity", "source_label": "SA-247582", "target_label": "SA-1919877", "cosine_similarity": 0.3701769113540649 } }, { "source": "CID:213040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "dofequidar-tipiracil similarity", "source_label": "dofequidar", "target_label": "tipiracil", "cosine_similarity": 0.4509226381778717 } }, { "source": "CID:47811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "pergolide-XAV-939 similarity", "source_label": "pergolide", "target_label": "XAV-939", "cosine_similarity": 0.2708427906036377 } }, { "source": "CID:68634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899", "properties": { "id": "oxiperomide-leflunomide similarity", "source_label": "oxiperomide", "target_label": "leflunomide", "cosine_similarity": 0.2822549641132355 } }, { "source": "CID:11485656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45100448", "properties": { "id": "linifanib-ML-179 similarity", "source_label": "linifanib", "target_label": "ML-179", "cosine_similarity": 0.4713746309280395 } }, { "source": "CID:3532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "guvacine-T-0156 similarity", "source_label": "guvacine", "target_label": "T-0156", "cosine_similarity": 0.3654943108558655 } }, { "source": "CID:10184653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "afatinib-ponatinib similarity", "source_label": "afatinib", "target_label": "ponatinib", "cosine_similarity": 0.5982147455215454 } }, { "source": "CID:15625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "TCDD-dioxin-brivanib similarity", "source_label": "TCDD-dioxin", "target_label": "brivanib", "cosine_similarity": 0.2256452292203903 } }, { "source": "CID:11618368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3655", "properties": { "id": "tozadenant-velnacrine similarity", "source_label": "tozadenant", "target_label": "velnacrine", "cosine_similarity": 0.2210147082805633 } }, { "source": "CID:54657607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3106", "properties": { "id": "SA-1459234-dipropyl-dopamine similarity", "source_label": "SA-1459234", "target_label": "dipropyl-dopamine", "cosine_similarity": 0.235735073685646 } }, { "source": "CID:3792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "itopride-FPL-62064 similarity", "source_label": "itopride", "target_label": "FPL-62064", "cosine_similarity": 0.4125026166439056 } }, { "source": "CID:5344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "sulfafurazole-naftidrofuryl similarity", "source_label": "sulfafurazole", "target_label": "naftidrofuryl", "cosine_similarity": 0.3222438097000122 } }, { "source": "CID:442897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "dubinidine-leu-enkephalin similarity", "source_label": "dubinidine", "target_label": "leu-enkephalin", "cosine_similarity": 0.4873456954956054 } }, { "source": "CID:3410883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803433", "properties": { "id": "BU-226-MK-0752 similarity", "source_label": "BU-226", "target_label": "MK-0752", "cosine_similarity": 0.2522595822811126 } }, { "source": "CID:3442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442128", "properties": { "id": "fusaric-acid-dihydrosamidin similarity", "source_label": "fusaric-acid", "target_label": "dihydrosamidin", "cosine_similarity": 0.3482155501842499 } }, { "source": "CID:4631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "oxprenolol-resorcinol similarity", "source_label": "oxprenolol", "target_label": "resorcinol", "cosine_similarity": 0.3292825818061828 } }, { "source": "CID:2159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "amisulpride-DL-TBOA similarity", "source_label": "amisulpride", "target_label": "DL-TBOA", "cosine_similarity": 0.6160062551498413 } }, { "source": "CID:44504533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666790", "properties": { "id": "SA-103150-SA-1919918 similarity", "source_label": "SA-103150", "target_label": "SA-1919918", "cosine_similarity": 0.3138962388038635 } }, { "source": "CID:11674376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "UBP-302-DL-TBOA similarity", "source_label": "UBP-302", "target_label": "DL-TBOA", "cosine_similarity": 0.3534135818481445 } }, { "source": "CID:6857791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3816756", "properties": { "id": "sappanone-a-AT-SUMO-1 similarity", "source_label": "sappanone-a", "target_label": "AT-SUMO-1", "cosine_similarity": 0.4685007929801941 } }, { "source": "CID:114829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "MF-101-levocabastine similarity", "source_label": "MF-101", "target_label": "levocabastine", "cosine_similarity": 0.2478668391704559 } }, { "source": "CID:26987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2995", "properties": { "id": "clemastine-desipramine similarity", "source_label": "clemastine", "target_label": "desipramine", "cosine_similarity": 0.5845687389373779 } }, { "source": "CID:224859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "PETCM-epirizole similarity", "source_label": "PETCM", "target_label": "epirizole", "cosine_similarity": 0.2201201915740966 } }, { "source": "CID:12385463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "KU-C103670-KU-C104137 similarity", "source_label": "KU-C103670", "target_label": "KU-C104137", "cosine_similarity": 0.2870845794677734 } }, { "source": "CID:9955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151819", "properties": { "id": "2-aminopurine-BL-050 similarity", "source_label": "2-aminopurine", "target_label": "BL-050", "cosine_similarity": 0.2526666820049286 } }, { "source": "CID:343083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449196", "properties": { "id": "cuneatin-androstanol similarity", "source_label": "cuneatin", "target_label": "androstanol", "cosine_similarity": 0.2888945639133453 } }, { "source": "CID:5278396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2162", "properties": { "id": "KU-55933-amlodipine similarity", "source_label": "KU-55933", "target_label": "amlodipine", "cosine_similarity": 0.4346854388713836 } }, { "source": "CID:1797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "5-nonyloxytryptamine-GR-127935 similarity", "source_label": "5-nonyloxytryptamine", "target_label": "GR-127935", "cosine_similarity": 0.5897557735443115 } }, { "source": "CID:456214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "purvalanol-a-amsacrine similarity", "source_label": "purvalanol-a", "target_label": "amsacrine", "cosine_similarity": 0.3119929432868957 } }, { "source": "CID:9642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "fluocinonide-budesonide similarity", "source_label": "fluocinonide", "target_label": "budesonide", "cosine_similarity": 0.3130011856555938 } }, { "source": "CID:3682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "ICI-118551-pipenzolate similarity", "source_label": "ICI-118551", "target_label": "pipenzolate", "cosine_similarity": 0.2179987877607345 } }, { "source": "CID:10429242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720272", "properties": { "id": "CAY-10415-ST-012015 similarity", "source_label": "CAY-10415", "target_label": "ST-012015", "cosine_similarity": 0.3296577632427215 } }, { "source": "CID:9808844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282230", "properties": { "id": "telatinib-tranilast similarity", "source_label": "telatinib", "target_label": "tranilast", "cosine_similarity": 0.315899133682251 } }, { "source": "CID:24988881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "MK-8245-loperamide similarity", "source_label": "MK-8245", "target_label": "loperamide", "cosine_similarity": 0.3918075859546661 } }, { "source": "CID:6918030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2520", "properties": { "id": "GR-32191-verapamil similarity", "source_label": "GR-32191", "target_label": "verapamil", "cosine_similarity": 0.2800978124141693 } }, { "source": "CID:12810432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "cefotiam-DAC-004 similarity", "source_label": "cefotiam", "target_label": "DAC-004", "cosine_similarity": 0.2860430479049682 } }, { "source": "CID:44502756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44496365", "properties": { "id": "SA-102695-SA-243929 similarity", "source_label": "SA-102695", "target_label": "SA-243929", "cosine_similarity": 0.33680459856987 } }, { "source": "CID:5312529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "eicosatrienoic-acid-zebularine similarity", "source_label": "eicosatrienoic-acid", "target_label": "zebularine", "cosine_similarity": 0.2946442365646362 } }, { "source": "CID:16094766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "GP-2a-rolipram similarity", "source_label": "GP-2a", "target_label": "rolipram", "cosine_similarity": 0.2281515896320343 } }, { "source": "CID:2788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "clioquinol-tipiracil similarity", "source_label": "clioquinol", "target_label": "tipiracil", "cosine_similarity": 0.3029230535030365 } }, { "source": "CID:1383884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72199293", "properties": { "id": "URB-597-EI1 similarity", "source_label": "URB-597", "target_label": "EI1", "cosine_similarity": 0.3099983632564544 } }, { "source": "CID:82320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445858", "properties": { "id": "1-EBIO-ferulic-acid similarity", "source_label": "1-EBIO", "target_label": "ferulic-acid", "cosine_similarity": 0.6077872514724731 } }, { "source": "CID:11327430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57340671", "properties": { "id": "NU-7441-JWE-035 similarity", "source_label": "NU-7441", "target_label": "JWE-035", "cosine_similarity": 0.4992453157901764 } }, { "source": "CID:3033637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "nizatidine-PTB1 similarity", "source_label": "nizatidine", "target_label": "PTB1", "cosine_similarity": 0.3366383016109466 } }, { "source": "CID:18721", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4485", "properties": { "id": "apigenin-nifedipine similarity", "source_label": "apigenin", "target_label": "nifedipine", "cosine_similarity": 0.4593657851219177 } }, { "source": "CID:6914273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "dantrolene-oxiconazole similarity", "source_label": "dantrolene", "target_label": "oxiconazole", "cosine_similarity": 0.415772795677185 } }, { "source": "CID:5472495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "exisulind-emetine similarity", "source_label": "exisulind", "target_label": "emetine", "cosine_similarity": 0.2814967334270477 } }, { "source": "CID:58258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680406", "properties": { "id": "rufloxacin-MW-SHH-61 similarity", "source_label": "rufloxacin", "target_label": "MW-SHH-61", "cosine_similarity": 0.201598584651947 } }, { "source": "CID:16760034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "bongkrek-acid-amikacin similarity", "source_label": "bongkrek-acid", "target_label": "amikacin", "cosine_similarity": 0.4116995632648468 } }, { "source": "CID:5702266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "amcinonide-beclomethasone-dipropionate similarity", "source_label": "amcinonide", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.552274763584137 } }, { "source": "CID:44484501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4203080", "properties": { "id": "SA-244466-L-655708 similarity", "source_label": "SA-244466", "target_label": "L-655708", "cosine_similarity": 0.2360966205596923 } }, { "source": "CID:164723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124846", "properties": { "id": "byssochlamic-acid-HTMT similarity", "source_label": "byssochlamic-acid", "target_label": "HTMT", "cosine_similarity": 0.2678738236427307 } }, { "source": "CID:9893887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133633", "properties": { "id": "L-368899-L-741626 similarity", "source_label": "L-368899", "target_label": "L-741626", "cosine_similarity": 0.2950325608253479 } }, { "source": "CID:345945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "RAN-30-SA-1457810 similarity", "source_label": "RAN-30", "target_label": "SA-1457810", "cosine_similarity": 0.2296079844236374 } }, { "source": "CID:129010074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "batimastat-linsidomine similarity", "source_label": "batimastat", "target_label": "linsidomine", "cosine_similarity": 0.3802354335784912 } }, { "source": "CID:44251485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "VU-0405172-2-KU-C104137 similarity", "source_label": "VU-0405172-2", "target_label": "KU-C104137", "cosine_similarity": 0.3943146467208862 } }, { "source": "CID:45259133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "VU-0415113-1-RJC-00245SC similarity", "source_label": "VU-0415113-1", "target_label": "RJC-00245SC", "cosine_similarity": 0.2396489083766937 } }, { "source": "CID:25124826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "PSB-06126-polydatin similarity", "source_label": "PSB-06126", "target_label": "polydatin", "cosine_similarity": 0.2639708817005157 } }, { "source": "CID:4192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2118", "properties": { "id": "midazolam-alprazolam similarity", "source_label": "midazolam", "target_label": "alprazolam", "cosine_similarity": 0.326873630285263 } }, { "source": "CID:5282593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "homatropine-temozolomide similarity", "source_label": "homatropine", "target_label": "temozolomide", "cosine_similarity": 0.3278838992118835 } }, { "source": "CID:6520352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "K-9944-pifithrin-mu similarity", "source_label": "K-9944", "target_label": "pifithrin-mu", "cosine_similarity": 0.544215977191925 } }, { "source": "CID:197690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3735", "properties": { "id": "SB-205384-iopanoic-acid similarity", "source_label": "SB-205384", "target_label": "iopanoic-acid", "cosine_similarity": 0.211996391415596 } }, { "source": "CID:3305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "etidronic-acid-SA-419010 similarity", "source_label": "etidronic-acid", "target_label": "SA-419010", "cosine_similarity": 0.203750878572464 } }, { "source": "CID:57364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "carmoxirole-alaproclate similarity", "source_label": "carmoxirole", "target_label": "alaproclate", "cosine_similarity": 0.2821031212806701 } }, { "source": "CID:60943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "relcovaptan-T-0156 similarity", "source_label": "relcovaptan", "target_label": "T-0156", "cosine_similarity": 0.4004232585430145 } }, { "source": "CID:2116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "alpha-tocopherol-pentoxifylline similarity", "source_label": "alpha-tocopherol", "target_label": "pentoxifylline", "cosine_similarity": 0.3776717782020569 } }, { "source": "CID:16760391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "VAMA-37-wortmannin similarity", "source_label": "VAMA-37", "target_label": "wortmannin", "cosine_similarity": 0.3561559617519378 } }, { "source": "CID:135399748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "CHIR-124-BAY-61-3606 similarity", "source_label": "CHIR-124", "target_label": "BAY-61-3606", "cosine_similarity": 0.6430631279945374 } }, { "source": "CID:5289501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60164", "properties": { "id": "TTNPB-adapalene similarity", "source_label": "TTNPB", "target_label": "adapalene", "cosine_similarity": 0.4517341554164886 } }, { "source": "CID:6738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10168", "properties": { "id": "hydroxytoluic-acid-rhein similarity", "source_label": "hydroxytoluic-acid", "target_label": "rhein", "cosine_similarity": 0.4102646708488464 } }, { "source": "CID:3689415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "K784-3187-EMF-bca1-16 similarity", "source_label": "K784-3187", "target_label": "EMF-bca1-16", "cosine_similarity": 0.784515917301178 } }, { "source": "CID:2995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "desipramine-CAM-9-027-3 similarity", "source_label": "desipramine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.5580610632896423 } }, { "source": "CID:73707548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10020353", "properties": { "id": "BG-1002-SKF-83822 similarity", "source_label": "BG-1002", "target_label": "SKF-83822", "cosine_similarity": 0.2217152118682861 } }, { "source": "CID:26596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "parbendazole-nocodazole similarity", "source_label": "parbendazole", "target_label": "nocodazole", "cosine_similarity": 0.9610114097595216 } }, { "source": "CID:5169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "SB-202190-cabozantinib similarity", "source_label": "SB-202190", "target_label": "cabozantinib", "cosine_similarity": 0.2687358260154724 } }, { "source": "CID:44498994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-96835-SA-96805 similarity", "source_label": "SA-96835", "target_label": "SA-96805", "cosine_similarity": 0.4962114691734314 } }, { "source": "CID:10126189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "YM-155-cercosporin similarity", "source_label": "YM-155", "target_label": "cercosporin", "cosine_similarity": 0.633970320224762 } }, { "source": "CID:6918305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208902", "properties": { "id": "ganaxolone-ramelteon similarity", "source_label": "ganaxolone", "target_label": "ramelteon", "cosine_similarity": 0.3476437032222748 } }, { "source": "CID:59472121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "VE-822-indinavir similarity", "source_label": "VE-822", "target_label": "indinavir", "cosine_similarity": 0.1541065275669098 } }, { "source": "CID:11705608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "APD-668-tolcapone similarity", "source_label": "APD-668", "target_label": "tolcapone", "cosine_similarity": 0.305585116147995 } }, { "source": "CID:50904129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "ARG-CSC2-40-cromoglicic-acid similarity", "source_label": "ARG-CSC2-40", "target_label": "cromoglicic-acid", "cosine_similarity": 0.197093978524208 } }, { "source": "CID:4909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "primidone-methocarbamol similarity", "source_label": "primidone", "target_label": "methocarbamol", "cosine_similarity": 0.3867572844028473 } }, { "source": "CID:3747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60937", "properties": { "id": "ipriflavone-tiludronate similarity", "source_label": "ipriflavone", "target_label": "tiludronate", "cosine_similarity": 0.2324827313423156 } }, { "source": "CID:10200390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11715767", "properties": { "id": "BAY-61-3606-PHA-767491 similarity", "source_label": "BAY-61-3606", "target_label": "PHA-767491", "cosine_similarity": 0.5954872369766235 } }, { "source": "CID:3883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "lansoprazole-1-benzylimidazole similarity", "source_label": "lansoprazole", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2549708187580108 } }, { "source": "CID:4199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "minaprine-methimazole similarity", "source_label": "minaprine", "target_label": "methimazole", "cosine_similarity": 0.3081231117248535 } }, { "source": "CID:3162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71447", "properties": { "id": "doxylamine-talampicillin similarity", "source_label": "doxylamine", "target_label": "talampicillin", "cosine_similarity": 0.2943035960197449 } }, { "source": "CID:54658844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5719", "properties": { "id": "SA-1457992-zaleplon similarity", "source_label": "SA-1457992", "target_label": "zaleplon", "cosine_similarity": 0.2217586785554886 } }, { "source": "CID:24821094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "ibrutinib-fostamatinib similarity", "source_label": "ibrutinib", "target_label": "fostamatinib", "cosine_similarity": 0.5115954279899597 } }, { "source": "CID:60185339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185177", "properties": { "id": "SA-1925610-SA-1925246 similarity", "source_label": "SA-1925610", "target_label": "SA-1925246", "cosine_similarity": 0.3045614957809448 } }, { "source": "CID:6855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "benzoxiquine-risperidone similarity", "source_label": "benzoxiquine", "target_label": "risperidone", "cosine_similarity": 0.1805993616580963 } }, { "source": "CID:444036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "fluticasone-propionate-halcinonide similarity", "source_label": "fluticasone-propionate", "target_label": "halcinonide", "cosine_similarity": 0.657588005065918 } }, { "source": "CID:460", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "guaiacol-etamsylate similarity", "source_label": "guaiacol", "target_label": "etamsylate", "cosine_similarity": 0.268320769071579 } }, { "source": "CID:2165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "amodiaquine-vortioxetine similarity", "source_label": "amodiaquine", "target_label": "vortioxetine", "cosine_similarity": 0.3860470950603485 } }, { "source": "CID:6610281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4158", "properties": { "id": "lithium-chloride-methylphenidate similarity", "source_label": "lithium-chloride", "target_label": "methylphenidate", "cosine_similarity": 0.4301095902919769 } }, { "source": "CID:364622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:161930", "properties": { "id": "MNITMT-icilin similarity", "source_label": "MNITMT", "target_label": "icilin", "cosine_similarity": 0.198764681816101 } }, { "source": "CID:216345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135411", "properties": { "id": "nutlin-3-CD-437 similarity", "source_label": "nutlin-3", "target_label": "CD-437", "cosine_similarity": 0.5294821858406067 } }, { "source": "CID:44488751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "SA-422830-inositol similarity", "source_label": "SA-422830", "target_label": "inositol", "cosine_similarity": 0.3141991198062897 } }, { "source": "CID:941361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "flunarizine-afatinib similarity", "source_label": "flunarizine", "target_label": "afatinib", "cosine_similarity": 0.2820420861244201 } }, { "source": "CID:9906875", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "LFM-A13-NU-1025 similarity", "source_label": "LFM-A13", "target_label": "NU-1025", "cosine_similarity": 0.4939774870872497 } }, { "source": "CID:691868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "ST-4029010-BMS-191011 similarity", "source_label": "ST-4029010", "target_label": "BMS-191011", "cosine_similarity": 0.3267511129379272 } }, { "source": "CID:11640390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "linsitinib-NVP-BEZ235 similarity", "source_label": "linsitinib", "target_label": "NVP-BEZ235", "cosine_similarity": 0.5904391407966614 } }, { "source": "CID:2772764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702107", "properties": { "id": "VU-0011562-prednisolone-acetate similarity", "source_label": "VU-0011562", "target_label": "prednisolone-acetate", "cosine_similarity": 0.2036875635385513 } }, { "source": "CID:54654613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-1463838-SA-1460008 similarity", "source_label": "SA-1463838", "target_label": "SA-1460008", "cosine_similarity": 0.406255304813385 } }, { "source": "CID:91522200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:101498", "properties": { "id": "benidipine-5-FP similarity", "source_label": "benidipine", "target_label": "5-FP", "cosine_similarity": 0.2707862555980682 } }, { "source": "CID:30951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "alclofenac-grazoprevir similarity", "source_label": "alclofenac", "target_label": "grazoprevir", "cosine_similarity": 0.3470590114593506 } }, { "source": "CID:44551660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "CP-466722-vemurafenib similarity", "source_label": "CP-466722", "target_label": "vemurafenib", "cosine_similarity": 0.4142157435417175 } }, { "source": "CID:21109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5161", "properties": { "id": "trimetazidine-sasapyrine similarity", "source_label": "trimetazidine", "target_label": "sasapyrine", "cosine_similarity": 0.2314068973064422 } }, { "source": "CID:1775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51049968", "properties": { "id": "phenytoin-BMS-927711 similarity", "source_label": "phenytoin", "target_label": "BMS-927711", "cosine_similarity": 0.4049741327762604 } }, { "source": "CID:36689751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "tetroquinone-SA-419050 similarity", "source_label": "tetroquinone", "target_label": "SA-419050", "cosine_similarity": 0.2932818233966827 } }, { "source": "CID:35028748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "CAY-10585-I-606051 similarity", "source_label": "CAY-10585", "target_label": "I-606051", "cosine_similarity": 0.2685039341449737 } }, { "source": "CID:30668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "lofexidine-alizapride similarity", "source_label": "lofexidine", "target_label": "alizapride", "cosine_similarity": 0.4763193428516388 } }, { "source": "CID:3001077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "fusidic-acid-AZD-7687 similarity", "source_label": "fusidic-acid", "target_label": "AZD-7687", "cosine_similarity": 0.4194177091121673 } }, { "source": "CID:2788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439246", "properties": { "id": "clioquinol-naringenin similarity", "source_label": "clioquinol", "target_label": "naringenin", "cosine_similarity": 0.3276663422584533 } }, { "source": "CID:10367662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "KI-16425-SA-102096 similarity", "source_label": "KI-16425", "target_label": "SA-102096", "cosine_similarity": 0.2344120293855667 } }, { "source": "CID:175805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "ropivacaine-SA-102096 similarity", "source_label": "ropivacaine", "target_label": "SA-102096", "cosine_similarity": 0.2282136380672454 } }, { "source": "CID:1359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "TRIM-salicyl-alcohol similarity", "source_label": "TRIM", "target_label": "salicyl-alcohol", "cosine_similarity": 0.4796228110790252 } }, { "source": "CID:10275777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "betrixaban-rutin similarity", "source_label": "betrixaban", "target_label": "rutin", "cosine_similarity": 0.3856277763843536 } }, { "source": "CID:637563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8029", "properties": { "id": "anethole-furan similarity", "source_label": "anethole", "target_label": "furan", "cosine_similarity": 0.3243830800056457 } }, { "source": "CID:72943187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "bromosporine-BI-2536 similarity", "source_label": "bromosporine", "target_label": "BI-2536", "cosine_similarity": 0.6922469735145569 } }, { "source": "CID:5065494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "K784-3391-prostaglandin-a1 similarity", "source_label": "K784-3391", "target_label": "prostaglandin-a1", "cosine_similarity": 0.2092646360397339 } }, { "source": "CID:3168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3702", "properties": { "id": "droperidol-indapamide similarity", "source_label": "droperidol", "target_label": "indapamide", "cosine_similarity": 0.3454789221286773 } }, { "source": "CID:72201027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "SGC-CBP30-I-BET-151 similarity", "source_label": "SGC-CBP30", "target_label": "I-BET-151", "cosine_similarity": 0.3754039108753204 } }, { "source": "CID:129010078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "triptolide-alvocidib similarity", "source_label": "triptolide", "target_label": "alvocidib", "cosine_similarity": 0.8296111822128296 } }, { "source": "CID:3052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "diethylcarbamazine-venlafaxine similarity", "source_label": "diethylcarbamazine", "target_label": "venlafaxine", "cosine_similarity": 0.3981553912162781 } }, { "source": "CID:44623837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13186954", "properties": { "id": "KU-C104223-KU-C103656 similarity", "source_label": "KU-C104223", "target_label": "KU-C103656", "cosine_similarity": 0.2401008903980255 } }, { "source": "CID:135409453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "tegaserod-CGP-71683 similarity", "source_label": "tegaserod", "target_label": "CGP-71683", "cosine_similarity": 0.639496922492981 } }, { "source": "CID:5330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "sulfamethoxypyridazine-KU-C104137 similarity", "source_label": "sulfamethoxypyridazine", "target_label": "KU-C104137", "cosine_similarity": 0.2949851453304291 } }, { "source": "CID:33613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "amoxicillin-TEPP-46 similarity", "source_label": "amoxicillin", "target_label": "TEPP-46", "cosine_similarity": 0.2118476033210754 } }, { "source": "CID:442793", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "gingerol-CS-2092524 similarity", "source_label": "gingerol", "target_label": "CS-2092524", "cosine_similarity": 0.2686398029327392 } }, { "source": "CID:3394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "flurbiprofen-FTI-276 similarity", "source_label": "flurbiprofen", "target_label": "FTI-276", "cosine_similarity": 0.3036780655384063 } }, { "source": "CID:44201003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "DBPR-108-saxagliptin similarity", "source_label": "DBPR-108", "target_label": "saxagliptin", "cosine_similarity": 0.1890275329351425 } }, { "source": "CID:5036604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "eugenitol-PT-630 similarity", "source_label": "eugenitol", "target_label": "PT-630", "cosine_similarity": 0.2882112562656402 } }, { "source": "CID:66558664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "E-7438-apocynin similarity", "source_label": "E-7438", "target_label": "apocynin", "cosine_similarity": 0.3614233136177063 } }, { "source": "CID:10521421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "10-DEBC-CAY-10594 similarity", "source_label": "10-DEBC", "target_label": "CAY-10594", "cosine_similarity": 0.4868298470973968 } }, { "source": "CID:24360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "camptothecin-idarubicin similarity", "source_label": "camptothecin", "target_label": "idarubicin", "cosine_similarity": 0.6870582103729248 } }, { "source": "CID:5429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "theobromine-LY-215490 similarity", "source_label": "theobromine", "target_label": "LY-215490", "cosine_similarity": 0.5652974843978882 } }, { "source": "CID:9821459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "J-104129-entecavir similarity", "source_label": "J-104129", "target_label": "entecavir", "cosine_similarity": 0.2492062300443649 } }, { "source": "CID:441749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8433", "properties": { "id": "napelline-dibenzoylmethane similarity", "source_label": "napelline", "target_label": "dibenzoylmethane", "cosine_similarity": 0.2577618360519409 } }, { "source": "CID:3675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "phenelzine-LFM-A13 similarity", "source_label": "phenelzine", "target_label": "LFM-A13", "cosine_similarity": 0.4050532877445221 } }, { "source": "CID:26879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "levamisole-clofibric-acid similarity", "source_label": "levamisole", "target_label": "clofibric-acid", "cosine_similarity": 0.4315563440322876 } }, { "source": "CID:73707614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5626", "properties": { "id": "KW-06-U-99194 similarity", "source_label": "KW-06", "target_label": "U-99194", "cosine_similarity": 0.2238045483827591 } }, { "source": "CID:9912743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "SB-683698-LY-2886721 similarity", "source_label": "SB-683698", "target_label": "LY-2886721", "cosine_similarity": 0.5508902668952942 } }, { "source": "CID:1049140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "ST-4042556-APO-866 similarity", "source_label": "ST-4042556", "target_label": "APO-866", "cosine_similarity": 0.3095702826976776 } }, { "source": "CID:4884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "pralidoxime-macitentan similarity", "source_label": "pralidoxime", "target_label": "macitentan", "cosine_similarity": 0.2838085293769836 } }, { "source": "CID:134141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "fluphenazine-trifluoperazine similarity", "source_label": "fluphenazine", "target_label": "trifluoperazine", "cosine_similarity": 0.795619547367096 } }, { "source": "CID:4302960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "GR-103691-raloxifene similarity", "source_label": "GR-103691", "target_label": "raloxifene", "cosine_similarity": 0.3567997515201568 } }, { "source": "CID:470071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "ethambutol-fumonisin-b1 similarity", "source_label": "ethambutol", "target_label": "fumonisin-b1", "cosine_similarity": 0.2596223056316376 } }, { "source": "CID:72734382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "HDAC3-selective-SA-247714 similarity", "source_label": "HDAC3-selective", "target_label": "SA-247714", "cosine_similarity": 0.3465651571750641 } }, { "source": "CID:24871028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5576", "properties": { "id": "nystatin-trimethadione similarity", "source_label": "nystatin", "target_label": "trimethadione", "cosine_similarity": 0.2356566935777664 } }, { "source": "CID:176167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "enzastaurin-CHIR-99021 similarity", "source_label": "enzastaurin", "target_label": "CHIR-99021", "cosine_similarity": 0.5458923578262329 } }, { "source": "CID:5287855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "AS-604850-phenothiazine similarity", "source_label": "AS-604850", "target_label": "phenothiazine", "cosine_similarity": 0.2075169682502746 } }, { "source": "CID:5353454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "BW-B70C-BIBU-1361 similarity", "source_label": "BW-B70C", "target_label": "BIBU-1361", "cosine_similarity": 0.250578373670578 } }, { "source": "CID:44485243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654232", "properties": { "id": "SA-85290-SA-1463785 similarity", "source_label": "SA-85290", "target_label": "SA-1463785", "cosine_similarity": 0.3160802125930786 } }, { "source": "CID:24779724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "SGX-523-JNJ-38877605 similarity", "source_label": "SGX-523", "target_label": "JNJ-38877605", "cosine_similarity": 0.4635092616081238 } }, { "source": "CID:5994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10947895", "properties": { "id": "progesterone-paroxetine similarity", "source_label": "progesterone", "target_label": "paroxetine", "cosine_similarity": 0.3439766466617584 } }, { "source": "CID:3423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "FPL-64176-7-nitroindazole similarity", "source_label": "FPL-64176", "target_label": "7-nitroindazole", "cosine_similarity": 0.3484552800655365 } }, { "source": "CID:54666591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "SA-1922932-motesanib similarity", "source_label": "SA-1922932", "target_label": "motesanib", "cosine_similarity": 0.2550384402275085 } }, { "source": "CID:177236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57519544", "properties": { "id": "darusentan-wnt-c59 similarity", "source_label": "darusentan", "target_label": "wnt-c59", "cosine_similarity": 0.1484676450490951 } }, { "source": "CID:73707382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "myriocin-alda-1 similarity", "source_label": "myriocin", "target_label": "alda-1", "cosine_similarity": 0.52413409948349 } }, { "source": "CID:9782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "betamethasone-dexamethasone similarity", "source_label": "betamethasone", "target_label": "dexamethasone", "cosine_similarity": 0.5678079128265381 } }, { "source": "CID:2688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "CGP-37157-cytosporone-b similarity", "source_label": "CGP-37157", "target_label": "cytosporone-b", "cosine_similarity": 0.3926564157009125 } }, { "source": "CID:16793302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "BG-1016-tacedinaline similarity", "source_label": "BG-1016", "target_label": "tacedinaline", "cosine_similarity": 0.5344393849372864 } }, { "source": "CID:24831714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:398148", "properties": { "id": "sotagliflozin-NU-6027 similarity", "source_label": "sotagliflozin", "target_label": "NU-6027", "cosine_similarity": 0.1932554244995117 } }, { "source": "CID:208908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "lapatinib-dasatinib similarity", "source_label": "lapatinib", "target_label": "dasatinib", "cosine_similarity": 0.4343053698539734 } }, { "source": "CID:5702007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "amikacin-L-ergothioneine similarity", "source_label": "amikacin", "target_label": "L-ergothioneine", "cosine_similarity": 0.8832879066467285 } }, { "source": "CID:42623900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11210285", "properties": { "id": "QS-11-BML-284 similarity", "source_label": "QS-11", "target_label": "BML-284", "cosine_similarity": 0.5698810815811157 } }, { "source": "CID:18343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11615393", "properties": { "id": "doxifluridine-telmesteine similarity", "source_label": "doxifluridine", "target_label": "telmesteine", "cosine_similarity": 0.3013103604316711 } }, { "source": "CID:3106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4363", "properties": { "id": "dipropyl-dopamine-N-formylmethionylalanine similarity", "source_label": "dipropyl-dopamine", "target_label": "N-formylmethionylalanine", "cosine_similarity": 0.3025805354118347 } }, { "source": "CID:10026128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "WAY-362450-paracetamol similarity", "source_label": "WAY-362450", "target_label": "paracetamol", "cosine_similarity": 0.3115268051624298 } }, { "source": "CID:10288191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44182295", "properties": { "id": "MEK-162-refametinib similarity", "source_label": "MEK-162", "target_label": "refametinib", "cosine_similarity": 0.7350967526435852 } }, { "source": "CID:5565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "trientine-acifran similarity", "source_label": "trientine", "target_label": "acifran", "cosine_similarity": 0.2838700115680694 } }, { "source": "CID:219104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "PX-12-CYT-997 similarity", "source_label": "PX-12", "target_label": "CYT-997", "cosine_similarity": 0.4098254442214966 } }, { "source": "CID:54666542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-1922006-SA-1920722 similarity", "source_label": "SA-1922006", "target_label": "SA-1920722", "cosine_similarity": 0.2627848386764526 } }, { "source": "CID:54614567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659308", "properties": { "id": "SA-441181-SA-1457169 similarity", "source_label": "SA-441181", "target_label": "SA-1457169", "cosine_similarity": 0.4770387411117553 } }, { "source": "CID:24747231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "JAS07-009-triptolide similarity", "source_label": "JAS07-009", "target_label": "triptolide", "cosine_similarity": 0.2200287729501724 } }, { "source": "CID:54669118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186794", "properties": { "id": "SA-1921902-SA-1939064 similarity", "source_label": "SA-1921902", "target_label": "SA-1939064", "cosine_similarity": 0.2271840572357177 } }, { "source": "CID:7048624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11096", "properties": { "id": "cefazolin-pseudopelletierine similarity", "source_label": "cefazolin", "target_label": "pseudopelletierine", "cosine_similarity": 0.2292754650115966 } }, { "source": "CID:9927531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "BIBR-1532-ZM-336372 similarity", "source_label": "BIBR-1532", "target_label": "ZM-336372", "cosine_similarity": 0.4264182448387146 } }, { "source": "CID:9867770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "JTE-907-cabozantinib similarity", "source_label": "JTE-907", "target_label": "cabozantinib", "cosine_similarity": 0.2578487694263458 } }, { "source": "CID:53315882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:686211", "properties": { "id": "UNC-0646-KU-C104126N similarity", "source_label": "UNC-0646", "target_label": "KU-C104126N", "cosine_similarity": 0.1390166580677032 } }, { "source": "CID:49766549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "TL-HRAS-27-MDL-28170 similarity", "source_label": "TL-HRAS-27", "target_label": "MDL-28170", "cosine_similarity": 0.2060785293579101 } }, { "source": "CID:941361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "flunarizine-rottlerin similarity", "source_label": "flunarizine", "target_label": "rottlerin", "cosine_similarity": 0.2959440946578979 } }, { "source": "CID:3941250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "nitrocaramiphen-carbamazepine similarity", "source_label": "nitrocaramiphen", "target_label": "carbamazepine", "cosine_similarity": 0.3011698722839355 } }, { "source": "CID:5387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "telenzepine-phenothiazine similarity", "source_label": "telenzepine", "target_label": "phenothiazine", "cosine_similarity": 0.3154917359352112 } }, { "source": "CID:650361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "ASN-05257430-YK-4279 similarity", "source_label": "ASN-05257430", "target_label": "YK-4279", "cosine_similarity": 0.5054143667221069 } }, { "source": "CID:5280450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "linoleic-acid-AC-55649 similarity", "source_label": "linoleic-acid", "target_label": "AC-55649", "cosine_similarity": 0.4279605746269226 } }, { "source": "CID:6708762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "periplocymarin-bufalin similarity", "source_label": "periplocymarin", "target_label": "bufalin", "cosine_similarity": 0.7864738702774048 } }, { "source": "CID:20054848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "bietaserpine-CGP-71683 similarity", "source_label": "bietaserpine", "target_label": "CGP-71683", "cosine_similarity": 0.2329630553722381 } }, { "source": "CID:56839178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "TP-0903-triptolide similarity", "source_label": "TP-0903", "target_label": "triptolide", "cosine_similarity": 0.6246227025985718 } }, { "source": "CID:2790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "clobenpropit-KU-C104140 similarity", "source_label": "clobenpropit", "target_label": "KU-C104140", "cosine_similarity": 0.3030121922492981 } }, { "source": "CID:25151504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:37393", "properties": { "id": "cobicistat-halofantrine similarity", "source_label": "cobicistat", "target_label": "halofantrine", "cosine_similarity": 0.4408617913722992 } }, { "source": "CID:219104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "PX-12-mebendazole similarity", "source_label": "PX-12", "target_label": "mebendazole", "cosine_similarity": 0.4165792167186737 } }, { "source": "CID:54658215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-1457103-SA-1921816 similarity", "source_label": "SA-1457103", "target_label": "SA-1921816", "cosine_similarity": 0.2568091750144958 } }, { "source": "CID:2820134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "KM-03472SC-manumycin-a similarity", "source_label": "KM-03472SC", "target_label": "manumycin-a", "cosine_similarity": 0.2325341552495956 } }, { "source": "CID:3780913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "ST-019386-EX-527 similarity", "source_label": "ST-019386", "target_label": "EX-527", "cosine_similarity": 0.2281214296817779 } }, { "source": "CID:6433109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "XBD-173-doramapimod similarity", "source_label": "XBD-173", "target_label": "doramapimod", "cosine_similarity": 0.3435390889644623 } }, { "source": "CID:6604933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3925", "properties": { "id": "WAY-629-QX-314 similarity", "source_label": "WAY-629", "target_label": "QX-314", "cosine_similarity": 0.2541786432266235 } }, { "source": "CID:5770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "reserpine-CAM-9-027-3 similarity", "source_label": "reserpine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.3726269006729126 } }, { "source": "CID:2713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "chlorhexidine-tyrphostin-A9 similarity", "source_label": "chlorhexidine", "target_label": "tyrphostin-A9", "cosine_similarity": 0.4647497534751892 } }, { "source": "CID:187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "acetylcholine-methapyrilene similarity", "source_label": "acetylcholine", "target_label": "methapyrilene", "cosine_similarity": 0.2797501683235168 } }, { "source": "CID:11201035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "PHTPP-cinchophen similarity", "source_label": "PHTPP", "target_label": "cinchophen", "cosine_similarity": 0.3146141171455383 } }, { "source": "CID:9884817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "GR-79236-thiazolopyrimidine similarity", "source_label": "GR-79236", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2760389149188995 } }, { "source": "CID:5865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "prednisone-dexamethasone similarity", "source_label": "prednisone", "target_label": "dexamethasone", "cosine_similarity": 0.5434041023254395 } }, { "source": "CID:11292191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6049", "properties": { "id": "AZD-1981-ethylenediaminetetraacetic-acid similarity", "source_label": "AZD-1981", "target_label": "ethylenediaminetetraacetic-acid", "cosine_similarity": 0.317839115858078 } }, { "source": "CID:3248571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "SB-258585-hemado similarity", "source_label": "SB-258585", "target_label": "hemado", "cosine_similarity": 0.2102468013763427 } }, { "source": "CID:2130404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "AGK-2-DL-TBOA similarity", "source_label": "AGK-2", "target_label": "DL-TBOA", "cosine_similarity": 0.4331141114234924 } }, { "source": "CID:12791166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2817242", "properties": { "id": "ketocholesterol-BML-266 similarity", "source_label": "ketocholesterol", "target_label": "BML-266", "cosine_similarity": 0.2939683794975281 } }, { "source": "CID:5265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "spiperone-3'-fluorobenzylspiperone similarity", "source_label": "spiperone", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.465739905834198 } }, { "source": "CID:44488857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-84905-SA-1456625 similarity", "source_label": "SA-84905", "target_label": "SA-1456625", "cosine_similarity": 0.4750928878784179 } }, { "source": "CID:4649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "aminosalicylic-acid-phenylbutyrate similarity", "source_label": "aminosalicylic-acid", "target_label": "phenylbutyrate", "cosine_similarity": 0.3841654658317566 } }, { "source": "CID:2775510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "wiskostatin-promazine similarity", "source_label": "wiskostatin", "target_label": "promazine", "cosine_similarity": 0.5491626858711243 } }, { "source": "CID:9909648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44473132", "properties": { "id": "PNU-96415E-KU-C103676 similarity", "source_label": "PNU-96415E", "target_label": "KU-C103676", "cosine_similarity": 0.2272356003522873 } }, { "source": "CID:445070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "farnesol-EMF-sumo1-6 similarity", "source_label": "farnesol", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2840667068958282 } }, { "source": "CID:72287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "levomepromazine-dubinidine similarity", "source_label": "levomepromazine", "target_label": "dubinidine", "cosine_similarity": 0.2900831699371338 } }, { "source": "CID:2921148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "BRL-50481-PT-630 similarity", "source_label": "BRL-50481", "target_label": "PT-630", "cosine_similarity": 0.3292933404445648 } }, { "source": "CID:6604893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "DFB-resatorvid similarity", "source_label": "DFB", "target_label": "resatorvid", "cosine_similarity": 0.2562722563743591 } }, { "source": "CID:3019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "diazoxide-finasteride similarity", "source_label": "diazoxide", "target_label": "finasteride", "cosine_similarity": 0.5330603122711182 } }, { "source": "CID:3780913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ST-019386-FTI-276 similarity", "source_label": "ST-019386", "target_label": "FTI-276", "cosine_similarity": 0.2362241446971893 } }, { "source": "CID:159311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "bulleyaconitine-a-phenothiazine similarity", "source_label": "bulleyaconitine-a", "target_label": "phenothiazine", "cosine_similarity": 0.2734054923057556 } }, { "source": "CID:11289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "chlorotrianisene-NM-PP1 similarity", "source_label": "chlorotrianisene", "target_label": "NM-PP1", "cosine_similarity": 0.2337196618318557 } }, { "source": "CID:5281087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "oxantel-PJ-34 similarity", "source_label": "oxantel", "target_label": "PJ-34", "cosine_similarity": 0.2565218806266784 } }, { "source": "CID:4847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6839", "properties": { "id": "pirenperone-phensuximide similarity", "source_label": "pirenperone", "target_label": "phensuximide", "cosine_similarity": 0.2634528875350952 } }, { "source": "CID:132862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "targinine-bicalutamide similarity", "source_label": "targinine", "target_label": "bicalutamide", "cosine_similarity": 0.3550674021244049 } }, { "source": "CID:10202642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "GW-788388-clozapine similarity", "source_label": "GW-788388", "target_label": "clozapine", "cosine_similarity": 0.3202405571937561 } }, { "source": "CID:46742354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "VU-0418947-2-VU-0418946-1 similarity", "source_label": "VU-0418947-2", "target_label": "VU-0418946-1", "cosine_similarity": 0.904203712940216 } }, { "source": "CID:2948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "damnacanthal-grazoprevir similarity", "source_label": "damnacanthal", "target_label": "grazoprevir", "cosine_similarity": 0.291004329919815 } }, { "source": "CID:38945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "tocainide-APO-866 similarity", "source_label": "tocainide", "target_label": "APO-866", "cosine_similarity": 0.2907397747039795 } }, { "source": "CID:44623838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "KU-C104224-UB-165 similarity", "source_label": "KU-C104224", "target_label": "UB-165", "cosine_similarity": 0.2380696684122085 } }, { "source": "CID:5361202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "cefuroxime-DAC-012 similarity", "source_label": "cefuroxime", "target_label": "DAC-012", "cosine_similarity": 0.3562845587730407 } }, { "source": "CID:445070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "farnesol-fatostatin similarity", "source_label": "farnesol", "target_label": "fatostatin", "cosine_similarity": 0.2741450667381286 } }, { "source": "CID:2370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "bethanechol-AT-CSC-18 similarity", "source_label": "bethanechol", "target_label": "AT-CSC-18", "cosine_similarity": 0.2494184970855713 } }, { "source": "CID:444254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20555075", "properties": { "id": "acarbose-CGP-12177 similarity", "source_label": "acarbose", "target_label": "CGP-12177", "cosine_similarity": 0.3881436288356781 } }, { "source": "CID:443943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "halcinonide-rimexolone similarity", "source_label": "halcinonide", "target_label": "rimexolone", "cosine_similarity": 0.6498256921768188 } }, { "source": "CID:115348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3080926", "properties": { "id": "2-iodomelatonin-2-BFI similarity", "source_label": "2-iodomelatonin", "target_label": "2-BFI", "cosine_similarity": 0.543074905872345 } }, { "source": "CID:44618017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656096", "properties": { "id": "SA-427137-SA-1473648 similarity", "source_label": "SA-427137", "target_label": "SA-1473648", "cosine_similarity": 0.2191468924283981 } }, { "source": "CID:10131112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "EMD-386088-CAM-9-027-3 similarity", "source_label": "EMD-386088", "target_label": "CAM-9-027-3", "cosine_similarity": 0.3176969885826111 } }, { "source": "CID:260972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "EMF-sumo1-8-fatostatin similarity", "source_label": "EMF-sumo1-8", "target_label": "fatostatin", "cosine_similarity": 0.3495616912841797 } }, { "source": "CID:6708539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702199", "properties": { "id": "rotenonic-acid-antimycin-a similarity", "source_label": "rotenonic-acid", "target_label": "antimycin-a", "cosine_similarity": 0.2155234813690185 } }, { "source": "CID:151118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "CPI-1189-granisetron similarity", "source_label": "CPI-1189", "target_label": "granisetron", "cosine_similarity": 0.5681447982788086 } }, { "source": "CID:6440033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "temsirolimus-GDC-0980 similarity", "source_label": "temsirolimus", "target_label": "GDC-0980", "cosine_similarity": 0.7565988302230835 } }, { "source": "CID:216235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33032", "properties": { "id": "sitaxentan-L-glutamic-acid similarity", "source_label": "sitaxentan", "target_label": "L-glutamic-acid", "cosine_similarity": 0.1516750752925872 } }, { "source": "CID:3242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "epirizole-gemifloxacin similarity", "source_label": "epirizole", "target_label": "gemifloxacin", "cosine_similarity": 0.4062143564224243 } }, { "source": "CID:636403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "carbenoxolone-levonorgestrel similarity", "source_label": "carbenoxolone", "target_label": "levonorgestrel", "cosine_similarity": 0.3537217974662781 } }, { "source": "CID:5943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6575", "properties": { "id": "carbon-tetrachloride-trichloroethylene similarity", "source_label": "carbon-tetrachloride", "target_label": "trichloroethylene", "cosine_similarity": 0.3252140581607818 } }, { "source": "CID:441383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "terconazole-CCT-031374 similarity", "source_label": "terconazole", "target_label": "CCT-031374", "cosine_similarity": 0.3742041885852813 } }, { "source": "CID:11646823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213023", "properties": { "id": "CTEP-dabigatran-etexilate similarity", "source_label": "CTEP", "target_label": "dabigatran-etexilate", "cosine_similarity": 0.1857091635465622 } }, { "source": "CID:107896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "gabazine-JZL-184 similarity", "source_label": "gabazine", "target_label": "JZL-184", "cosine_similarity": 0.3539159893989563 } }, { "source": "CID:2801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "clomipramine-CHEMBL-374350 similarity", "source_label": "clomipramine", "target_label": "CHEMBL-374350", "cosine_similarity": 0.6867876648902893 } }, { "source": "CID:73364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "calpeptin-ZSTK-474 similarity", "source_label": "calpeptin", "target_label": "ZSTK-474", "cosine_similarity": 0.3940301835536957 } }, { "source": "CID:25134326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16123056", "properties": { "id": "ASP-3026-voxtalisib similarity", "source_label": "ASP-3026", "target_label": "voxtalisib", "cosine_similarity": 0.3506851494312286 } }, { "source": "CID:23351218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "radicicol-geldanamycin similarity", "source_label": "radicicol", "target_label": "geldanamycin", "cosine_similarity": 0.8417353630065918 } }, { "source": "CID:3446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "gabapentin-NF-449 similarity", "source_label": "gabapentin", "target_label": "NF-449", "cosine_similarity": 0.2726918160915375 } }, { "source": "CID:3025986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "BMS-387032-triptolide similarity", "source_label": "BMS-387032", "target_label": "triptolide", "cosine_similarity": 0.7878710031509399 } }, { "source": "CID:8567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51695577", "properties": { "id": "meglumine-melengestrol similarity", "source_label": "meglumine", "target_label": "melengestrol", "cosine_similarity": 0.2208285331726074 } }, { "source": "CID:2820633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2583", "properties": { "id": "KM-04501-carteolol similarity", "source_label": "KM-04501", "target_label": "carteolol", "cosine_similarity": 0.2644310593605041 } }, { "source": "CID:51360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2585", "properties": { "id": "KUC107191N-carvedilol similarity", "source_label": "KUC107191N", "target_label": "carvedilol", "cosine_similarity": 0.2743277251720428 } }, { "source": "CID:4831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2148", "properties": { "id": "pipemidic-acid-aminohippuric-acid similarity", "source_label": "pipemidic-acid", "target_label": "aminohippuric-acid", "cosine_similarity": 0.2653699517250061 } }, { "source": "CID:132496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "FGIN-1-27-JZL-184 similarity", "source_label": "FGIN-1-27", "target_label": "JZL-184", "cosine_similarity": 0.3693354725837707 } }, { "source": "CID:4913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "procainamide-lorcaserin similarity", "source_label": "procainamide", "target_label": "lorcaserin", "cosine_similarity": 0.385959655046463 } }, { "source": "CID:5906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "metaraminol-pirfenidone similarity", "source_label": "metaraminol", "target_label": "pirfenidone", "cosine_similarity": 0.1902768909931183 } }, { "source": "CID:5354033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "U-0126-PD-0325901 similarity", "source_label": "U-0126", "target_label": "PD-0325901", "cosine_similarity": 0.6307940483093262 } }, { "source": "CID:46911863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "JNJ-38877605-KIN001-269 similarity", "source_label": "JNJ-38877605", "target_label": "KIN001-269", "cosine_similarity": 0.5265305042266846 } }, { "source": "CID:72894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "2-aminobenzenesulfonamide-morin similarity", "source_label": "2-aminobenzenesulfonamide", "target_label": "morin", "cosine_similarity": 0.3338946104049682 } }, { "source": "CID:656665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "tropisetron-fumonisin-b1 similarity", "source_label": "tropisetron", "target_label": "fumonisin-b1", "cosine_similarity": 0.287840187549591 } }, { "source": "CID:44498994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-96835-SA-97378 similarity", "source_label": "SA-96835", "target_label": "SA-97378", "cosine_similarity": 0.3773071467876434 } }, { "source": "CID:7211972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "VU-0240551-zaprinast similarity", "source_label": "VU-0240551", "target_label": "zaprinast", "cosine_similarity": 0.2593950629234314 } }, { "source": "CID:73707418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "celastrol-withaferin-a similarity", "source_label": "celastrol", "target_label": "withaferin-a", "cosine_similarity": 0.7770738005638123 } }, { "source": "CID:91469546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "oxytetracycline-dabrafenib similarity", "source_label": "oxytetracycline", "target_label": "dabrafenib", "cosine_similarity": 0.4448669850826263 } }, { "source": "CID:15478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "digoxigenin-bufalin similarity", "source_label": "digoxigenin", "target_label": "bufalin", "cosine_similarity": 0.7193886041641235 } }, { "source": "CID:92727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "lopinavir-HG-6-64-01 similarity", "source_label": "lopinavir", "target_label": "HG-6-64-01", "cosine_similarity": 0.3935349285602569 } }, { "source": "CID:160020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "tetrindole-tetrandrine similarity", "source_label": "tetrindole", "target_label": "tetrandrine", "cosine_similarity": 0.5115797519683838 } }, { "source": "CID:20854254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362124", "properties": { "id": "KU-C104236N-benazepril similarity", "source_label": "KU-C104236N", "target_label": "benazepril", "cosine_similarity": 0.3399613797664642 } }, { "source": "CID:56655374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "HG-14-10-04-ZSTK-474 similarity", "source_label": "HG-14-10-04", "target_label": "ZSTK-474", "cosine_similarity": 0.4139885902404785 } }, { "source": "CID:4746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "perhexiline-GR-127935 similarity", "source_label": "perhexiline", "target_label": "GR-127935", "cosine_similarity": 0.5689892172813416 } }, { "source": "CID:135470813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "MW-STK33-2C-pemetrexed similarity", "source_label": "MW-STK33-2C", "target_label": "pemetrexed", "cosine_similarity": 0.2999119162559509 } }, { "source": "CID:11561383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "nesbuvir-sodium-gualenate similarity", "source_label": "nesbuvir", "target_label": "sodium-gualenate", "cosine_similarity": 0.6164885759353638 } }, { "source": "CID:13342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "vinblastine-vincristine similarity", "source_label": "vinblastine", "target_label": "vincristine", "cosine_similarity": 0.8091679811477661 } }, { "source": "CID:3111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15224271", "properties": { "id": "metamizole-anidulafungin similarity", "source_label": "metamizole", "target_label": "anidulafungin", "cosine_similarity": 0.4511429965496063 } }, { "source": "CID:1218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "SKF-81297-AG-879 similarity", "source_label": "SKF-81297", "target_label": "AG-879", "cosine_similarity": 0.2475522309541702 } }, { "source": "CID:9417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "opipramol-SA-1921456 similarity", "source_label": "opipramol", "target_label": "SA-1921456", "cosine_similarity": 0.2220000326633453 } }, { "source": "CID:73707348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "anthothecol-manumycin-a similarity", "source_label": "anthothecol", "target_label": "manumycin-a", "cosine_similarity": 0.6136323809623718 } }, { "source": "CID:10206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "cepharanthine-fluvastatin similarity", "source_label": "cepharanthine", "target_label": "fluvastatin", "cosine_similarity": 0.408708393573761 } }, { "source": "CID:5479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489343", "properties": { "id": "tinidazole-SA-425929 similarity", "source_label": "tinidazole", "target_label": "SA-425929", "cosine_similarity": 0.2752331793308258 } }, { "source": "CID:2921148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "BRL-50481-mestranol similarity", "source_label": "BRL-50481", "target_label": "mestranol", "cosine_similarity": 0.3372975587844848 } }, { "source": "CID:47099517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "ARG-CSC-18-phenothiazine similarity", "source_label": "ARG-CSC-18", "target_label": "phenothiazine", "cosine_similarity": 0.3483381271362304 } }, { "source": "CID:4018512", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "2-phenylmelatonin-sulfanitran similarity", "source_label": "2-phenylmelatonin", "target_label": "sulfanitran", "cosine_similarity": 0.5035760402679443 } }, { "source": "CID:122077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "SR-27897-ICI-162846 similarity", "source_label": "SR-27897", "target_label": "ICI-162846", "cosine_similarity": 0.4279219508171081 } }, { "source": "CID:25254071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "GDC-0980-temsirolimus similarity", "source_label": "GDC-0980", "target_label": "temsirolimus", "cosine_similarity": 0.7565988302230835 } }, { "source": "CID:3830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "kinetin-Gly-Gly-PALO similarity", "source_label": "kinetin", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2877869606018066 } }, { "source": "CID:3156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "doxapram-oleoylethanolamide similarity", "source_label": "doxapram", "target_label": "oleoylethanolamide", "cosine_similarity": 0.311816394329071 } }, { "source": "CID:193949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "SDZ-21009-U-18666A similarity", "source_label": "SDZ-21009", "target_label": "U-18666A", "cosine_similarity": 0.4824968576431274 } }, { "source": "CID:44491382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186794", "properties": { "id": "SA-97343-SA-1939064 similarity", "source_label": "SA-97343", "target_label": "SA-1939064", "cosine_similarity": 0.2783864736557007 } }, { "source": "CID:44629987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "brivudine-fluvoxamine similarity", "source_label": "brivudine", "target_label": "fluvoxamine", "cosine_similarity": 0.4018335938453674 } }, { "source": "CID:4674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071166", "properties": { "id": "pamidronate-DCPIB similarity", "source_label": "pamidronate", "target_label": "DCPIB", "cosine_similarity": 0.22626294195652 } }, { "source": "CID:446156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282451", "properties": { "id": "cerivastatin-pitavastatin similarity", "source_label": "cerivastatin", "target_label": "pitavastatin", "cosine_similarity": 0.419188380241394 } }, { "source": "CID:46224413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "PF-03084014-sumatriptan similarity", "source_label": "PF-03084014", "target_label": "sumatriptan", "cosine_similarity": 0.5214903354644775 } }, { "source": "CID:5281792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483325", "properties": { "id": "rosmarinic-acid-austricine similarity", "source_label": "rosmarinic-acid", "target_label": "austricine", "cosine_similarity": 0.2787406742572784 } }, { "source": "CID:44508028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57390074", "properties": { "id": "SA-247582-AP-26113 similarity", "source_label": "SA-247582", "target_label": "AP-26113", "cosine_similarity": 0.347302109003067 } }, { "source": "CID:656732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "XE-991-tamibarotene similarity", "source_label": "XE-991", "target_label": "tamibarotene", "cosine_similarity": 0.2565892040729522 } }, { "source": "CID:5280335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "sphingosine-K784-3131 similarity", "source_label": "sphingosine", "target_label": "K784-3131", "cosine_similarity": 0.2228467464447021 } }, { "source": "CID:4004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "malathion-oxiconazole similarity", "source_label": "malathion", "target_label": "oxiconazole", "cosine_similarity": 0.1842889040708542 } }, { "source": "CID:361510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "emodic-acid-MW-STK33-97 similarity", "source_label": "emodic-acid", "target_label": "MW-STK33-97", "cosine_similarity": 0.3077673614025116 } }, { "source": "CID:69216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710622", "properties": { "id": "5-methylhydantoin-bicuculline similarity", "source_label": "5-methylhydantoin", "target_label": "bicuculline", "cosine_similarity": 0.211037591099739 } }, { "source": "CID:56973724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "AZ-3146-ingenol similarity", "source_label": "AZ-3146", "target_label": "ingenol", "cosine_similarity": 0.3189426362514496 } }, { "source": "CID:177236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51371328", "properties": { "id": "darusentan-estramustine similarity", "source_label": "darusentan", "target_label": "estramustine", "cosine_similarity": 0.1557082831859588 } }, { "source": "CID:11338033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "AT-7519-dinaciclib similarity", "source_label": "AT-7519", "target_label": "dinaciclib", "cosine_similarity": 0.6821792721748352 } }, { "source": "CID:441328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3329", "properties": { "id": "7-aminocephalosporanic-acid-faropenem similarity", "source_label": "7-aminocephalosporanic-acid", "target_label": "faropenem", "cosine_similarity": 0.2258732169866562 } }, { "source": "CID:5316606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "piceid-GW-5074 similarity", "source_label": "piceid", "target_label": "GW-5074", "cosine_similarity": 0.2716991007328033 } }, { "source": "CID:44483325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "austricine-CGS-21680 similarity", "source_label": "austricine", "target_label": "CGS-21680", "cosine_similarity": 0.3017720282077789 } }, { "source": "CID:9865652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "IDAM-methyl-fasudil similarity", "source_label": "IDAM", "target_label": "methyl-fasudil", "cosine_similarity": 0.223405584692955 } }, { "source": "CID:3292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "ethotoin-felodipine similarity", "source_label": "ethotoin", "target_label": "felodipine", "cosine_similarity": 0.2728945910930633 } }, { "source": "CID:6851740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "ispinesib-niclosamide similarity", "source_label": "ispinesib", "target_label": "niclosamide", "cosine_similarity": 0.6142753958702087 } }, { "source": "CID:11296583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "pirarubicin-mitoxantrone similarity", "source_label": "pirarubicin", "target_label": "mitoxantrone", "cosine_similarity": 0.613352358341217 } }, { "source": "CID:5576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1853", "properties": { "id": "trimethadione-phenanthridone similarity", "source_label": "trimethadione", "target_label": "phenanthridone", "cosine_similarity": 0.2558845579624176 } }, { "source": "CID:60700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "topotecan-SN-38 similarity", "source_label": "topotecan", "target_label": "SN-38", "cosine_similarity": 0.8601190447807312 } }, { "source": "CID:214347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "dapivirine-cisapride similarity", "source_label": "dapivirine", "target_label": "cisapride", "cosine_similarity": 0.6011510491371155 } }, { "source": "CID:3505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "GR-89696-estradiol-cypionate similarity", "source_label": "GR-89696", "target_label": "estradiol-cypionate", "cosine_similarity": 0.2255056202411651 } }, { "source": "CID:123631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "gefitinib-vandetanib similarity", "source_label": "gefitinib", "target_label": "vandetanib", "cosine_similarity": 0.5616941452026367 } }, { "source": "CID:5546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "triamterene-artesunate similarity", "source_label": "triamterene", "target_label": "artesunate", "cosine_similarity": 0.2583228647708893 } }, { "source": "CID:5284549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39042", "properties": { "id": "dorzolamide-bezafibrate similarity", "source_label": "dorzolamide", "target_label": "bezafibrate", "cosine_similarity": 0.5177847743034363 } }, { "source": "CID:9931954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "rucaparib-BML-259 similarity", "source_label": "rucaparib", "target_label": "BML-259", "cosine_similarity": 0.5713344812393188 } }, { "source": "CID:16667705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "exemestane-apocynin similarity", "source_label": "exemestane", "target_label": "apocynin", "cosine_similarity": 0.4628345072269439 } }, { "source": "CID:5280723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "alprostadil-PP-2 similarity", "source_label": "alprostadil", "target_label": "PP-2", "cosine_similarity": 0.2890093624591827 } }, { "source": "CID:9904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914657", "properties": { "id": "nandrolone-FK-866 similarity", "source_label": "nandrolone", "target_label": "FK-866", "cosine_similarity": 0.2429883629083633 } }, { "source": "CID:45006121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "lacitol-imiquimod similarity", "source_label": "lacitol", "target_label": "imiquimod", "cosine_similarity": 0.321121484041214 } }, { "source": "CID:46742354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "VU-0418947-2-VU-0418933-1 similarity", "source_label": "VU-0418947-2", "target_label": "VU-0418933-1", "cosine_similarity": 0.8176273703575134 } }, { "source": "CID:6634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "sulfachlorpyridazine-cephalothin similarity", "source_label": "sulfachlorpyridazine", "target_label": "cephalothin", "cosine_similarity": 0.2822365462779999 } }, { "source": "CID:5161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549000", "properties": { "id": "sasapyrine-levocetirizine similarity", "source_label": "sasapyrine", "target_label": "levocetirizine", "cosine_similarity": 0.3720867931842804 } }, { "source": "CID:46854655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "AMG-837-AZD-7687 similarity", "source_label": "AMG-837", "target_label": "AZD-7687", "cosine_similarity": 0.2793086171150207 } }, { "source": "CID:5052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "mepireserpate-lasalocid similarity", "source_label": "mepireserpate", "target_label": "lasalocid", "cosine_similarity": 0.5866932272911072 } }, { "source": "CID:222515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "brazilin-SA-792709 similarity", "source_label": "brazilin", "target_label": "SA-792709", "cosine_similarity": 0.5214315056800842 } }, { "source": "CID:25118059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5352062", "properties": { "id": "BG-1005-romidepsin similarity", "source_label": "BG-1005", "target_label": "romidepsin", "cosine_similarity": 0.7190837264060974 } }, { "source": "CID:1355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34040", "properties": { "id": "mCPP-nicergoline similarity", "source_label": "mCPP", "target_label": "nicergoline", "cosine_similarity": 0.4722836911678314 } }, { "source": "CID:44595079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11998575", "properties": { "id": "PRT-062070-palomid-529 similarity", "source_label": "PRT-062070", "target_label": "palomid-529", "cosine_similarity": 0.3891634345054626 } }, { "source": "CID:7699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8616", "properties": { "id": "benzonatate-peucedanin similarity", "source_label": "benzonatate", "target_label": "peucedanin", "cosine_similarity": 0.2414691895246505 } }, { "source": "CID:5350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "sulforaphane-CT-200783 similarity", "source_label": "sulforaphane", "target_label": "CT-200783", "cosine_similarity": 0.6064432263374329 } }, { "source": "CID:5757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "estradiol-rolipram similarity", "source_label": "estradiol", "target_label": "rolipram", "cosine_similarity": 0.3769519031047821 } }, { "source": "CID:50878566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4891", "properties": { "id": "S-ruxolitinib-praziquantel similarity", "source_label": "S-ruxolitinib", "target_label": "praziquantel", "cosine_similarity": 0.2489440441131591 } }, { "source": "CID:38081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "flunixin-chlorpyrifos similarity", "source_label": "flunixin", "target_label": "chlorpyrifos", "cosine_similarity": 0.4567883014678955 } }, { "source": "CID:2203170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "EMF-sumo1-2-sulforaphane similarity", "source_label": "EMF-sumo1-2", "target_label": "sulforaphane", "cosine_similarity": 0.3637332320213318 } }, { "source": "CID:49843158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "SD-6-035-A10-ajmaline similarity", "source_label": "SD-6-035-A10", "target_label": "ajmaline", "cosine_similarity": 0.3192510902881622 } }, { "source": "CID:8796093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "KU-C103881-tofacitinib similarity", "source_label": "KU-C103881", "target_label": "tofacitinib", "cosine_similarity": 0.2939484417438507 } }, { "source": "CID:5282219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "sofalcone-felodipine similarity", "source_label": "sofalcone", "target_label": "felodipine", "cosine_similarity": 0.515385627746582 } }, { "source": "CID:11949646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24794418", "properties": { "id": "empagliflozin-BMS-777607 similarity", "source_label": "empagliflozin", "target_label": "BMS-777607", "cosine_similarity": 0.2772128283977508 } }, { "source": "CID:9884817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54686939", "properties": { "id": "GR-79236-dihydrorobustic-acid similarity", "source_label": "GR-79236", "target_label": "dihydrorobustic-acid", "cosine_similarity": 0.3107935488224029 } }, { "source": "CID:3688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "IDRA-21-DMNB similarity", "source_label": "IDRA-21", "target_label": "DMNB", "cosine_similarity": 0.4456307888031006 } }, { "source": "CID:668081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23986045", "properties": { "id": "selinidin-karakoline similarity", "source_label": "selinidin", "target_label": "karakoline", "cosine_similarity": 0.3600518703460693 } }, { "source": "CID:133633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "L-741626-trifluoperazine similarity", "source_label": "L-741626", "target_label": "trifluoperazine", "cosine_similarity": 0.4582039713859558 } }, { "source": "CID:4075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "mesalazine-glutamine similarity", "source_label": "mesalazine", "target_label": "glutamine", "cosine_similarity": 0.2015485912561416 } }, { "source": "CID:30668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "lofexidine-actarit similarity", "source_label": "lofexidine", "target_label": "actarit", "cosine_similarity": 0.4847592711448669 } }, { "source": "CID:11978790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "BGT-226-NVP-BEZ235 similarity", "source_label": "BGT-226", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7710213661193848 } }, { "source": "CID:1261822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869940", "properties": { "id": "ML-193-VU-0415374-1 similarity", "source_label": "ML-193", "target_label": "VU-0415374-1", "cosine_similarity": 0.2732220590114593 } }, { "source": "CID:44487652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-85268-SA-441181 similarity", "source_label": "SA-85268", "target_label": "SA-441181", "cosine_similarity": 0.3304153382778168 } }, { "source": "CID:4843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:392622", "properties": { "id": "piracetam-ritonavir similarity", "source_label": "piracetam", "target_label": "ritonavir", "cosine_similarity": 0.3009354770183563 } }, { "source": "CID:3767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "isoniazid-perindopril similarity", "source_label": "isoniazid", "target_label": "perindopril", "cosine_similarity": 0.3519957363605499 } }, { "source": "CID:5749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56971", "properties": { "id": "oxyphenonium-ipsapirone similarity", "source_label": "oxyphenonium", "target_label": "ipsapirone", "cosine_similarity": 0.2410428524017334 } }, { "source": "CID:54666595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "SA-1921085-dichlorobenzamil similarity", "source_label": "SA-1921085", "target_label": "dichlorobenzamil", "cosine_similarity": 0.3770528733730316 } }, { "source": "CID:24861442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "Fluoro-SAHA-BG-1003 similarity", "source_label": "Fluoro-SAHA", "target_label": "BG-1003", "cosine_similarity": 0.7674464583396912 } }, { "source": "CID:5311100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "fluprostenol-myricetin similarity", "source_label": "fluprostenol", "target_label": "myricetin", "cosine_similarity": 0.2723857164382934 } }, { "source": "CID:2603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "CCCP-bithionol similarity", "source_label": "CCCP", "target_label": "bithionol", "cosine_similarity": 0.5479540228843689 } }, { "source": "CID:3647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3749", "properties": { "id": "hydroflumethiazide-irbesartan similarity", "source_label": "hydroflumethiazide", "target_label": "irbesartan", "cosine_similarity": 0.2911359071731567 } }, { "source": "CID:135413511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16122663", "properties": { "id": "tirapazamine-mericitabine similarity", "source_label": "tirapazamine", "target_label": "mericitabine", "cosine_similarity": 0.263776570558548 } }, { "source": "CID:5878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "oxandrolone-saxagliptin similarity", "source_label": "oxandrolone", "target_label": "saxagliptin", "cosine_similarity": 0.2584880888462066 } }, { "source": "CID:54666820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "SA-1921996-SA-101776 similarity", "source_label": "SA-1921996", "target_label": "SA-101776", "cosine_similarity": 0.4036514163017273 } }, { "source": "CID:5578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482", "properties": { "id": "trimethoprim-tioconazole similarity", "source_label": "trimethoprim", "target_label": "tioconazole", "cosine_similarity": 0.2368522733449936 } }, { "source": "CID:5447130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:139032007", "properties": { "id": "nitrofural-avermectin similarity", "source_label": "nitrofural", "target_label": "avermectin", "cosine_similarity": 0.2398720830678939 } }, { "source": "CID:2022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "acyclovir-griseofulvin similarity", "source_label": "acyclovir", "target_label": "griseofulvin", "cosine_similarity": 0.4093878269195556 } }, { "source": "CID:5281912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "prostaglandin-a1-DL-TBOA similarity", "source_label": "prostaglandin-a1", "target_label": "DL-TBOA", "cosine_similarity": 0.3277319967746734 } }, { "source": "CID:6129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "carbaryl-FTI-276 similarity", "source_label": "carbaryl", "target_label": "FTI-276", "cosine_similarity": 0.2763188779354095 } }, { "source": "CID:471161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66265", "properties": { "id": "maribavir-dexfenfluramine similarity", "source_label": "maribavir", "target_label": "dexfenfluramine", "cosine_similarity": 0.3445774614810943 } }, { "source": "CID:6918305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4923", "properties": { "id": "ganaxolone-proguanil similarity", "source_label": "ganaxolone", "target_label": "proguanil", "cosine_similarity": 0.3410220742225647 } }, { "source": "CID:44623946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "N-6022-diazoxide similarity", "source_label": "N-6022", "target_label": "diazoxide", "cosine_similarity": 0.4708814620971679 } }, { "source": "CID:3542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "H-7-harmine similarity", "source_label": "H-7", "target_label": "harmine", "cosine_similarity": 0.3240039348602295 } }, { "source": "CID:5225086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:454217", "properties": { "id": "ingenol-prostratin similarity", "source_label": "ingenol", "target_label": "prostratin", "cosine_similarity": 0.72880619764328 } }, { "source": "CID:4846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208953", "properties": { "id": "pirenoxine-ZK-200775 similarity", "source_label": "pirenoxine", "target_label": "ZK-200775", "cosine_similarity": 0.3070722222328186 } }, { "source": "CID:44143700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "KUC103424N-VU-0366968 similarity", "source_label": "KUC103424N", "target_label": "VU-0366968", "cosine_similarity": 0.2345606982707977 } }, { "source": "CID:11957722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "terguride-TUL-XX025TFA similarity", "source_label": "terguride", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2927192151546478 } }, { "source": "CID:2818982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "KM-00519SC-idelalisib similarity", "source_label": "KM-00519SC", "target_label": "idelalisib", "cosine_similarity": 0.4111540019512176 } }, { "source": "CID:16759369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "ZM-323881-PP-110 similarity", "source_label": "ZM-323881", "target_label": "PP-110", "cosine_similarity": 0.2491075843572616 } }, { "source": "CID:54657706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44496365", "properties": { "id": "SA-1459261-SA-243929 similarity", "source_label": "SA-1459261", "target_label": "SA-243929", "cosine_similarity": 0.2629072070121765 } }, { "source": "CID:1537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "thioguanine-dabrafenib similarity", "source_label": "thioguanine", "target_label": "dabrafenib", "cosine_similarity": 0.3479403257369995 } }, { "source": "CID:4418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828911", "properties": { "id": "naftopidil-anamorelin similarity", "source_label": "naftopidil", "target_label": "anamorelin", "cosine_similarity": 0.4304123222827911 } }, { "source": "CID:6093179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "estropipate-leu-enkephalin similarity", "source_label": "estropipate", "target_label": "leu-enkephalin", "cosine_similarity": 0.3016566634178161 } }, { "source": "CID:6708636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "dihydrodeoxygedunin-SA-84512 similarity", "source_label": "dihydrodeoxygedunin", "target_label": "SA-84512", "cosine_similarity": 0.3162039816379547 } }, { "source": "CID:54654613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-1463838-SA-441181 similarity", "source_label": "SA-1463838", "target_label": "SA-441181", "cosine_similarity": 0.3619820773601532 } }, { "source": "CID:5578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010004", "properties": { "id": "trimethoprim-tebipenem similarity", "source_label": "trimethoprim", "target_label": "tebipenem", "cosine_similarity": 0.2935650944709778 } }, { "source": "CID:2356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "bergenin-MW-MITF28 similarity", "source_label": "bergenin", "target_label": "MW-MITF28", "cosine_similarity": 0.2588903903961181 } }, { "source": "CID:49836027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "torin-1-WYE-125132 similarity", "source_label": "torin-1", "target_label": "WYE-125132", "cosine_similarity": 0.8495816588401794 } }, { "source": "CID:44483234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "terreic-acid-7b-cis similarity", "source_label": "terreic-acid", "target_label": "7b-cis", "cosine_similarity": 0.6426224112510681 } }, { "source": "CID:6413301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "VLX-600-VU-0418947-2 similarity", "source_label": "VLX-600", "target_label": "VU-0418947-2", "cosine_similarity": 0.6463262438774109 } }, { "source": "CID:4659569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54766", "properties": { "id": "tolcapone-bambuterol similarity", "source_label": "tolcapone", "target_label": "bambuterol", "cosine_similarity": 0.326121062040329 } }, { "source": "CID:49843054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483957", "properties": { "id": "SD-6-035-A3-SA-424936 similarity", "source_label": "SD-6-035-A3", "target_label": "SA-424936", "cosine_similarity": 0.3087759017944336 } }, { "source": "CID:62824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "ICI-63197-fumonisin-b1 similarity", "source_label": "ICI-63197", "target_label": "fumonisin-b1", "cosine_similarity": 0.3357167243957519 } }, { "source": "CID:2122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "altizide-T-5345967 similarity", "source_label": "altizide", "target_label": "T-5345967", "cosine_similarity": 0.2277156412601471 } }, { "source": "CID:3854666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "SB-225002-nocodazole similarity", "source_label": "SB-225002", "target_label": "nocodazole", "cosine_similarity": 0.7557927370071411 } }, { "source": "CID:83969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10461815", "properties": { "id": "albendazole-oxide-PHA-665752 similarity", "source_label": "albendazole-oxide", "target_label": "PHA-665752", "cosine_similarity": 0.172979399561882 } }, { "source": "CID:2267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42642648", "properties": { "id": "azelastine-ARRY-334543 similarity", "source_label": "azelastine", "target_label": "ARRY-334543", "cosine_similarity": 0.3202237486839294 } }, { "source": "CID:25102847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "cabozantinib-oxiconazole similarity", "source_label": "cabozantinib", "target_label": "oxiconazole", "cosine_similarity": 0.4402480125427246 } }, { "source": "CID:122335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "efaproxiral-clozapine similarity", "source_label": "efaproxiral", "target_label": "clozapine", "cosine_similarity": 0.4037528038024902 } }, { "source": "CID:1204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "epibatidine-GW-9508 similarity", "source_label": "epibatidine", "target_label": "GW-9508", "cosine_similarity": 0.3069745898246765 } }, { "source": "CID:456199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11219835", "properties": { "id": "PA-824-ataluren similarity", "source_label": "PA-824", "target_label": "ataluren", "cosine_similarity": 0.2810795307159424 } }, { "source": "CID:693139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "CAY-10577-epicatechin similarity", "source_label": "CAY-10577", "target_label": "epicatechin", "cosine_similarity": 0.253152072429657 } }, { "source": "CID:4993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153241", "properties": { "id": "pyrimethamine-merimepodib similarity", "source_label": "pyrimethamine", "target_label": "merimepodib", "cosine_similarity": 0.3282794654369354 } }, { "source": "CID:60846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "valsartan-oxiconazole similarity", "source_label": "valsartan", "target_label": "oxiconazole", "cosine_similarity": 0.463671863079071 } }, { "source": "CID:54667404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484225", "properties": { "id": "SA-1919877-SA-90030 similarity", "source_label": "SA-1919877", "target_label": "SA-90030", "cosine_similarity": 0.3643668293952942 } }, { "source": "CID:161591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "chaetocin-CT-200783 similarity", "source_label": "chaetocin", "target_label": "CT-200783", "cosine_similarity": 0.5899185538291931 } }, { "source": "CID:44564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "lodoxamide-rocuronium similarity", "source_label": "lodoxamide", "target_label": "rocuronium", "cosine_similarity": 0.4360708594322204 } }, { "source": "CID:2819320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "KM-01366-ZM-336372 similarity", "source_label": "KM-01366", "target_label": "ZM-336372", "cosine_similarity": 0.240921214222908 } }, { "source": "CID:5328748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "AG-370-PJ-34 similarity", "source_label": "AG-370", "target_label": "PJ-34", "cosine_similarity": 0.3079133331775665 } }, { "source": "CID:10367662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45358132", "properties": { "id": "KI-16425-icariin similarity", "source_label": "KI-16425", "target_label": "icariin", "cosine_similarity": 0.2260823845863342 } }, { "source": "CID:23897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "molindone-pyrazinoylguanidine similarity", "source_label": "molindone", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.599114179611206 } }, { "source": "CID:10461815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71277", "properties": { "id": "PHA-665752-erythromycin-estolate similarity", "source_label": "PHA-665752", "target_label": "erythromycin-estolate", "cosine_similarity": 0.4209226071834564 } }, { "source": "CID:2936384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SF-11-SA-1458689 similarity", "source_label": "SF-11", "target_label": "SA-1458689", "cosine_similarity": 0.2157643437385559 } }, { "source": "CID:151932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "picolinic-acid-sofalcone similarity", "source_label": "picolinic-acid", "target_label": "sofalcone", "cosine_similarity": 0.434987723827362 } }, { "source": "CID:67946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "fluoropyruvate-APO-866 similarity", "source_label": "fluoropyruvate", "target_label": "APO-866", "cosine_similarity": 0.4696598052978515 } }, { "source": "CID:636403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "carbenoxolone-risperidone similarity", "source_label": "carbenoxolone", "target_label": "risperidone", "cosine_similarity": 0.3521045446395874 } }, { "source": "CID:6604926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:658169", "properties": { "id": "SB-334867-ST-4028268 similarity", "source_label": "SB-334867", "target_label": "ST-4028268", "cosine_similarity": 0.3628961443901062 } }, { "source": "CID:10235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7427", "properties": { "id": "cytisine-trehalose similarity", "source_label": "cytisine", "target_label": "trehalose", "cosine_similarity": 0.4484535157680511 } }, { "source": "CID:158794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "ZD-2079-sparfosic-acid similarity", "source_label": "ZD-2079", "target_label": "sparfosic-acid", "cosine_similarity": 0.3081124722957611 } }, { "source": "CID:1993104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "RAN-07-phenoxazine similarity", "source_label": "RAN-07", "target_label": "phenoxazine", "cosine_similarity": 0.3367864489555359 } }, { "source": "CID:135409453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "tegaserod-RS-17053 similarity", "source_label": "tegaserod", "target_label": "RS-17053", "cosine_similarity": 0.6108458042144775 } }, { "source": "CID:2381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "biperiden-GNF-2 similarity", "source_label": "biperiden", "target_label": "GNF-2", "cosine_similarity": 0.364506185054779 } }, { "source": "CID:728578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "ST-022313-Gly-Gly-PALO similarity", "source_label": "ST-022313", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3362178206443786 } }, { "source": "CID:139032007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4135", "properties": { "id": "avermectin-methyl-benzethonium similarity", "source_label": "avermectin", "target_label": "methyl-benzethonium", "cosine_similarity": 0.5681135654449463 } }, { "source": "CID:45006141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "pregnenolone-succinate-remacemide similarity", "source_label": "pregnenolone-succinate", "target_label": "remacemide", "cosine_similarity": 0.3817373216152191 } }, { "source": "CID:135398506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644241", "properties": { "id": "SB-590885-nilotinib similarity", "source_label": "SB-590885", "target_label": "nilotinib", "cosine_similarity": 0.3397829234600067 } }, { "source": "CID:5585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "trioxsalen-phenothiazine similarity", "source_label": "trioxsalen", "target_label": "phenothiazine", "cosine_similarity": 0.3055897653102875 } }, { "source": "CID:10172943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9932888", "properties": { "id": "A-443654-lestaurtinib similarity", "source_label": "A-443654", "target_label": "lestaurtinib", "cosine_similarity": 0.3869658708572387 } }, { "source": "CID:125085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "p-aminophenethylspiperone-CGP-71683 similarity", "source_label": "p-aminophenethylspiperone", "target_label": "CGP-71683", "cosine_similarity": 0.574334442615509 } }, { "source": "CID:2749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "ciclopirox-VU-0410183-2 similarity", "source_label": "ciclopirox", "target_label": "VU-0410183-2", "cosine_similarity": 0.6344070434570312 } }, { "source": "CID:4355450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "LY-225910-KM-03949SC similarity", "source_label": "LY-225910", "target_label": "KM-03949SC", "cosine_similarity": 0.2123860120773315 } }, { "source": "CID:2075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "aklomide-cephalothin similarity", "source_label": "aklomide", "target_label": "cephalothin", "cosine_similarity": 0.6237137913703918 } }, { "source": "CID:22094941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "norcitalopram-PSH-024 similarity", "source_label": "norcitalopram", "target_label": "PSH-024", "cosine_similarity": 0.2394491583108902 } }, { "source": "CID:129009857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:105007", "properties": { "id": "tobramycin-FPL-55712 similarity", "source_label": "tobramycin", "target_label": "FPL-55712", "cosine_similarity": 0.3372683227062225 } }, { "source": "CID:6918736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:766949", "properties": { "id": "rigosertib-JNK-IN-5A similarity", "source_label": "rigosertib", "target_label": "JNK-IN-5A", "cosine_similarity": 0.8301892280578613 } }, { "source": "CID:54660187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613797", "properties": { "id": "SA-1455822-SA-440968 similarity", "source_label": "SA-1455822", "target_label": "SA-440968", "cosine_similarity": 0.3469425737857818 } }, { "source": "CID:4621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "oxetacaine-palmatine-chloride similarity", "source_label": "oxetacaine", "target_label": "palmatine-chloride", "cosine_similarity": 0.2513557374477386 } }, { "source": "CID:6604749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "L-689560-Gly-Gly-PALO similarity", "source_label": "L-689560", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3550071716308594 } }, { "source": "CID:125017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "desvenlafaxine-PSI-6130 similarity", "source_label": "desvenlafaxine", "target_label": "PSI-6130", "cosine_similarity": 0.2474078088998794 } }, { "source": "CID:3686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "idebenone-nafamostat similarity", "source_label": "idebenone", "target_label": "nafamostat", "cosine_similarity": 0.3111605942249298 } }, { "source": "CID:9801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4939", "properties": { "id": "prenylamine-propidium similarity", "source_label": "prenylamine", "target_label": "propidium", "cosine_similarity": 0.2517707943916321 } }, { "source": "CID:4086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "orciprenaline-lomerizine similarity", "source_label": "orciprenaline", "target_label": "lomerizine", "cosine_similarity": 0.4736497700214386 } }, { "source": "CID:154575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4725", "properties": { "id": "piclamilast-penciclovir similarity", "source_label": "piclamilast", "target_label": "penciclovir", "cosine_similarity": 0.2837147116661072 } }, { "source": "CID:5280954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "rescinnamine-tamoxifen similarity", "source_label": "rescinnamine", "target_label": "tamoxifen", "cosine_similarity": 0.2439810037612915 } }, { "source": "CID:230748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "INCA-6-EMF-sumo1-11 similarity", "source_label": "INCA-6", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.4673542082309723 } }, { "source": "CID:5284550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44205240", "properties": { "id": "dosulepin-baricitinib similarity", "source_label": "dosulepin", "target_label": "baricitinib", "cosine_similarity": 0.2640393376350403 } }, { "source": "CID:441749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "napelline-pentoxifylline similarity", "source_label": "napelline", "target_label": "pentoxifylline", "cosine_similarity": 0.2631781101226806 } }, { "source": "CID:44143772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "UTMB-00530-alosetron similarity", "source_label": "UTMB-00530", "target_label": "alosetron", "cosine_similarity": 0.2727707028388977 } }, { "source": "CID:441401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44112", "properties": { "id": "linezolid-bopindolol similarity", "source_label": "linezolid", "target_label": "bopindolol", "cosine_similarity": 0.3160835802555084 } }, { "source": "CID:9903757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654478", "properties": { "id": "BAY-36-7620-SA-1472548 similarity", "source_label": "BAY-36-7620", "target_label": "SA-1472548", "cosine_similarity": 0.2100193947553634 } }, { "source": "CID:139032029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60854", "properties": { "id": "amphotericin-b-ziprasidone similarity", "source_label": "amphotericin-b", "target_label": "ziprasidone", "cosine_similarity": 0.229332834482193 } }, { "source": "CID:4135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "methyl-benzethonium-I-070759 similarity", "source_label": "methyl-benzethonium", "target_label": "I-070759", "cosine_similarity": 0.6348043084144592 } }, { "source": "CID:441594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2900", "properties": { "id": "hippeastrine-cycloheximide similarity", "source_label": "hippeastrine", "target_label": "cycloheximide", "cosine_similarity": 0.298481822013855 } }, { "source": "CID:861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "rathyronine-YK-4279 similarity", "source_label": "rathyronine", "target_label": "YK-4279", "cosine_similarity": 0.3066374361515045 } }, { "source": "CID:6572379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "PSH-013-KU-C104140 similarity", "source_label": "PSH-013", "target_label": "KU-C104140", "cosine_similarity": 0.3148268759250641 } }, { "source": "CID:441383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "terconazole-FIT similarity", "source_label": "terconazole", "target_label": "FIT", "cosine_similarity": 0.4062893688678741 } }, { "source": "CID:2782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "clemizole-picolinic-acid similarity", "source_label": "clemizole", "target_label": "picolinic-acid", "cosine_similarity": 0.3397018313407898 } }, { "source": "CID:44602406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "KU-C104131-NM-PP1 similarity", "source_label": "KU-C104131", "target_label": "NM-PP1", "cosine_similarity": 0.2300290614366531 } }, { "source": "CID:26757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "selegiline-molsidomine similarity", "source_label": "selegiline", "target_label": "molsidomine", "cosine_similarity": 0.4036332070827484 } }, { "source": "CID:53377419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "BG-STK33-55-MW-STK33-2B similarity", "source_label": "BG-STK33-55", "target_label": "MW-STK33-2B", "cosine_similarity": 0.679214358329773 } }, { "source": "CID:122335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "efaproxiral-estramustine-phosphate similarity", "source_label": "efaproxiral", "target_label": "estramustine-phosphate", "cosine_similarity": 0.424592524766922 } }, { "source": "CID:25073775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11442891", "properties": { "id": "VS-4718-danusertib similarity", "source_label": "VS-4718", "target_label": "danusertib", "cosine_similarity": 0.4644537270069122 } }, { "source": "CID:5036604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "eugenitol-SB-203580 similarity", "source_label": "eugenitol", "target_label": "SB-203580", "cosine_similarity": 0.2569760084152221 } }, { "source": "CID:3035714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "ABT-751-parbendazole similarity", "source_label": "ABT-751", "target_label": "parbendazole", "cosine_similarity": 0.8998599052429199 } }, { "source": "CID:656615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "potassium-canrenoate-FPL-62064 similarity", "source_label": "potassium-canrenoate", "target_label": "FPL-62064", "cosine_similarity": 0.3171316385269165 } }, { "source": "CID:24180719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "PLX-4720-pazopanib similarity", "source_label": "PLX-4720", "target_label": "pazopanib", "cosine_similarity": 0.5339112281799316 } }, { "source": "CID:59149652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10745", "properties": { "id": "AZD-5069-acetylsalicylsalicylic-acid similarity", "source_label": "AZD-5069", "target_label": "acetylsalicylsalicylic-acid", "cosine_similarity": 0.2313691228628158 } }, { "source": "CID:4045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "mefexamide-APO-866 similarity", "source_label": "mefexamide", "target_label": "APO-866", "cosine_similarity": 0.2791467607021332 } }, { "source": "CID:2785467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "ARG-A1-2-NSC-632839 similarity", "source_label": "ARG-A1-2", "target_label": "NSC-632839", "cosine_similarity": 0.3840177655220032 } }, { "source": "CID:5336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "sulfapyridine-PTB1 similarity", "source_label": "sulfapyridine", "target_label": "PTB1", "cosine_similarity": 0.2799425423145294 } }, { "source": "CID:56839178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "TP-0903-alvocidib similarity", "source_label": "TP-0903", "target_label": "alvocidib", "cosine_similarity": 0.6631284952163696 } }, { "source": "CID:54685215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "IOX2-GSK-J1 similarity", "source_label": "IOX2", "target_label": "GSK-J1", "cosine_similarity": 0.3647843301296234 } }, { "source": "CID:107950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "CL-218872-AZD-7687 similarity", "source_label": "CL-218872", "target_label": "AZD-7687", "cosine_similarity": 0.3517475426197052 } }, { "source": "CID:46844147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "XMD-885-BI-2536 similarity", "source_label": "XMD-885", "target_label": "BI-2536", "cosine_similarity": 0.5694066882133484 } }, { "source": "CID:449196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:343083", "properties": { "id": "androstanol-cuneatin similarity", "source_label": "androstanol", "target_label": "cuneatin", "cosine_similarity": 0.2888945639133453 } }, { "source": "CID:3446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448281", "properties": { "id": "gabapentin-ORE-1001 similarity", "source_label": "gabapentin", "target_label": "ORE-1001", "cosine_similarity": 0.3717233538627624 } }, { "source": "CID:854019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "cotinine-GW-501516 similarity", "source_label": "cotinine", "target_label": "GW-501516", "cosine_similarity": 0.2355471551418304 } }, { "source": "CID:54660194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843139", "properties": { "id": "SA-1458902-SA-433965 similarity", "source_label": "SA-1458902", "target_label": "SA-433965", "cosine_similarity": 0.2993668913841247 } }, { "source": "CID:3505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "GR-89696-DAC-004 similarity", "source_label": "GR-89696", "target_label": "DAC-004", "cosine_similarity": 0.229094460606575 } }, { "source": "CID:2040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "afloqualone-felodipine similarity", "source_label": "afloqualone", "target_label": "felodipine", "cosine_similarity": 0.338442325592041 } }, { "source": "CID:17753743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "oprozomib-delanzomib similarity", "source_label": "oprozomib", "target_label": "delanzomib", "cosine_similarity": 0.8753569722175598 } }, { "source": "CID:4939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2777", "properties": { "id": "propidium-CL-82198 similarity", "source_label": "propidium", "target_label": "CL-82198", "cosine_similarity": 0.2461549937725067 } }, { "source": "CID:1830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "5-iodotubercidin-dinaciclib similarity", "source_label": "5-iodotubercidin", "target_label": "dinaciclib", "cosine_similarity": 0.7070460915565491 } }, { "source": "CID:2712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3408722", "properties": { "id": "chlordiazepoxide-nafadotride similarity", "source_label": "chlordiazepoxide", "target_label": "nafadotride", "cosine_similarity": 0.3009557425975799 } }, { "source": "CID:91486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3343", "properties": { "id": "safingol-fenoterol similarity", "source_label": "safingol", "target_label": "fenoterol", "cosine_similarity": 0.3229704201221466 } }, { "source": "CID:5467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "tiapride-oxiconazole similarity", "source_label": "tiapride", "target_label": "oxiconazole", "cosine_similarity": 0.4682951867580414 } }, { "source": "CID:5074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702265", "properties": { "id": "ritanserin-colforsin similarity", "source_label": "ritanserin", "target_label": "colforsin", "cosine_similarity": 0.248800978064537 } }, { "source": "CID:5702094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "norethindrone-KIN001-269 similarity", "source_label": "norethindrone", "target_label": "KIN001-269", "cosine_similarity": 0.3032539784908294 } }, { "source": "CID:44505047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "SA-419083-zebularine similarity", "source_label": "SA-419083", "target_label": "zebularine", "cosine_similarity": 0.2559144198894501 } }, { "source": "CID:135821878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "BJM-CSC-15-I-070759 similarity", "source_label": "BJM-CSC-15", "target_label": "I-070759", "cosine_similarity": 0.5109084844589233 } }, { "source": "CID:1547484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "cinnarizine-GDC-0199 similarity", "source_label": "cinnarizine", "target_label": "GDC-0199", "cosine_similarity": 0.3580353260040283 } }, { "source": "CID:135886614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610273", "properties": { "id": "BG-1018-C2-dihydroceramide similarity", "source_label": "BG-1018", "target_label": "C2-dihydroceramide", "cosine_similarity": 0.3648841381072998 } }, { "source": "CID:3936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11326715", "properties": { "id": "liranaftate-ostarine similarity", "source_label": "liranaftate", "target_label": "ostarine", "cosine_similarity": 0.5466706156730652 } }, { "source": "CID:897475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "ARG-CSC-81-pinacidil similarity", "source_label": "ARG-CSC-81", "target_label": "pinacidil", "cosine_similarity": 0.4397625029087066 } }, { "source": "CID:25019940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "MK-3207-travoprost similarity", "source_label": "MK-3207", "target_label": "travoprost", "cosine_similarity": 0.3622994422912597 } }, { "source": "CID:6419747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "SYK-inhibitor-TPCA-1 similarity", "source_label": "SYK-inhibitor", "target_label": "TPCA-1", "cosine_similarity": 0.3710467219352722 } }, { "source": "CID:60186824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500706", "properties": { "id": "SA-1938820-SA-97259 similarity", "source_label": "SA-1938820", "target_label": "SA-97259", "cosine_similarity": 0.3232378363609314 } }, { "source": "CID:4494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071196", "properties": { "id": "nilvadipine-pimavanserin similarity", "source_label": "nilvadipine", "target_label": "pimavanserin", "cosine_similarity": 0.3395662307739258 } }, { "source": "CID:1140587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "BAS-02859604-JAS07-006 similarity", "source_label": "BAS-02859604", "target_label": "JAS07-006", "cosine_similarity": 0.3371098935604095 } }, { "source": "CID:44503242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492524", "properties": { "id": "SA-244587-SA-242939 similarity", "source_label": "SA-244587", "target_label": "SA-242939", "cosine_similarity": 0.3189167976379394 } }, { "source": "CID:24753719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "PCI-34051-sulforaphane similarity", "source_label": "PCI-34051", "target_label": "sulforaphane", "cosine_similarity": 0.2609705924987793 } }, { "source": "CID:54654433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "SA-1463839-beclometasone similarity", "source_label": "SA-1463839", "target_label": "beclometasone", "cosine_similarity": 0.2183677405118942 } }, { "source": "CID:5312122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "KN-93-NNC-55-0396 similarity", "source_label": "KN-93", "target_label": "NNC-55-0396", "cosine_similarity": 0.507278323173523 } }, { "source": "CID:5707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "xylazine-methylprednisolone similarity", "source_label": "xylazine", "target_label": "methylprednisolone", "cosine_similarity": 0.3274901807308197 } }, { "source": "CID:221493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "cholic-acid-emedastine similarity", "source_label": "cholic-acid", "target_label": "emedastine", "cosine_similarity": 0.5846886038780212 } }, { "source": "CID:4701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5359", "properties": { "id": "PD-123319-suprofen similarity", "source_label": "PD-123319", "target_label": "suprofen", "cosine_similarity": 0.3261478841304779 } }, { "source": "CID:2728620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "RJC-00245SC-tyrphostin-A9 similarity", "source_label": "RJC-00245SC", "target_label": "tyrphostin-A9", "cosine_similarity": 0.6153807640075684 } }, { "source": "CID:23891056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "I-606051-EMF-bca1-16 similarity", "source_label": "I-606051", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7264079451560974 } }, { "source": "CID:3657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "hydroxyurea-marbofloxacin similarity", "source_label": "hydroxyurea", "target_label": "marbofloxacin", "cosine_similarity": 0.3938519060611725 } }, { "source": "CID:854019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "cotinine-iproniazid similarity", "source_label": "cotinine", "target_label": "iproniazid", "cosine_similarity": 0.2474194020032882 } }, { "source": "CID:208902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "ramelteon-alda-1 similarity", "source_label": "ramelteon", "target_label": "alda-1", "cosine_similarity": 0.3755815625190735 } }, { "source": "CID:10633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "mestanolone-z-leu3-VS similarity", "source_label": "mestanolone", "target_label": "z-leu3-VS", "cosine_similarity": 0.2145519703626632 } }, { "source": "CID:2356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388962", "properties": { "id": "bergenin-enalapril similarity", "source_label": "bergenin", "target_label": "enalapril", "cosine_similarity": 0.2347530722618103 } }, { "source": "CID:415541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "U-18666A-NTNCB similarity", "source_label": "U-18666A", "target_label": "NTNCB", "cosine_similarity": 0.5966649651527405 } }, { "source": "CID:53315882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "UNC-0646-levopropoxyphene similarity", "source_label": "UNC-0646", "target_label": "levopropoxyphene", "cosine_similarity": 0.1366892009973526 } }, { "source": "CID:5311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "vorinostat-NCH-51 similarity", "source_label": "vorinostat", "target_label": "NCH-51", "cosine_similarity": 0.900030255317688 } }, { "source": "CID:129009857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "tobramycin-aliskiren similarity", "source_label": "tobramycin", "target_label": "aliskiren", "cosine_similarity": 0.3335433602333069 } }, { "source": "CID:5288674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "alvespimycin-tanespimycin similarity", "source_label": "alvespimycin", "target_label": "tanespimycin", "cosine_similarity": 0.883772075176239 } }, { "source": "CID:54685215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "IOX2-JW-55 similarity", "source_label": "IOX2", "target_label": "JW-55", "cosine_similarity": 0.4265533983707428 } }, { "source": "CID:153241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:87217390", "properties": { "id": "merimepodib-SU-014813 similarity", "source_label": "merimepodib", "target_label": "SU-014813", "cosine_similarity": 0.3793968856334686 } }, { "source": "CID:76525291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "RG7112-CGP-71683 similarity", "source_label": "RG7112", "target_label": "CGP-71683", "cosine_similarity": 0.4183279573917389 } }, { "source": "CID:5284585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610273", "properties": { "id": "loracarbef-C2-dihydroceramide similarity", "source_label": "loracarbef", "target_label": "C2-dihydroceramide", "cosine_similarity": 0.2533126771450043 } }, { "source": "CID:2214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "apocynin-primaquine similarity", "source_label": "apocynin", "target_label": "primaquine", "cosine_similarity": 0.5505356192588806 } }, { "source": "CID:11226090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148184", "properties": { "id": "taranabant-ampalex similarity", "source_label": "taranabant", "target_label": "ampalex", "cosine_similarity": 0.5280758142471313 } }, { "source": "CID:9600409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "CITCO-tolnaftate similarity", "source_label": "CITCO", "target_label": "tolnaftate", "cosine_similarity": 0.2223730981349945 } }, { "source": "CID:9064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "cianidanol-probucol similarity", "source_label": "cianidanol", "target_label": "probucol", "cosine_similarity": 0.4153070747852325 } }, { "source": "CID:45259136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "VU-0415010-gossypin similarity", "source_label": "VU-0415010", "target_label": "gossypin", "cosine_similarity": 0.3109022378921509 } }, { "source": "CID:9910486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "SB-705498-dapivirine similarity", "source_label": "SB-705498", "target_label": "dapivirine", "cosine_similarity": 0.3065318763256073 } }, { "source": "CID:4086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "orciprenaline-AM-580 similarity", "source_label": "orciprenaline", "target_label": "AM-580", "cosine_similarity": 0.5515578389167786 } }, { "source": "CID:68617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "sertraline-CCT-031374 similarity", "source_label": "sertraline", "target_label": "CCT-031374", "cosine_similarity": 0.8141255974769592 } }, { "source": "CID:6918554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "indacaterol-picolinic-acid similarity", "source_label": "indacaterol", "target_label": "picolinic-acid", "cosine_similarity": 0.356879860162735 } }, { "source": "CID:44640175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "KU-C104487-JAS07-006 similarity", "source_label": "KU-C104487", "target_label": "JAS07-006", "cosine_similarity": 0.4013587236404419 } }, { "source": "CID:73453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5918561", "properties": { "id": "ergocornine-ST-024029 similarity", "source_label": "ergocornine", "target_label": "ST-024029", "cosine_similarity": 0.2951222062110901 } }, { "source": "CID:46925839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "SD-6-035-A4-flumethasone-pivalate similarity", "source_label": "SD-6-035-A4", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.1884201765060424 } }, { "source": "CID:3276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "etanidazole-lorcaserin similarity", "source_label": "etanidazole", "target_label": "lorcaserin", "cosine_similarity": 0.3802087604999542 } }, { "source": "CID:5315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "succinylsulfathiazole-gramine similarity", "source_label": "succinylsulfathiazole", "target_label": "gramine", "cosine_similarity": 0.3915922939777374 } }, { "source": "CID:46897844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "VU-0420363-1-SA-85268 similarity", "source_label": "VU-0420363-1", "target_label": "SA-85268", "cosine_similarity": 0.2228215038776397 } }, { "source": "CID:10052040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "CP-945598-tolcapone similarity", "source_label": "CP-945598", "target_label": "tolcapone", "cosine_similarity": 0.3047218024730682 } }, { "source": "CID:34521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "toloxatone-marbofloxacin similarity", "source_label": "toloxatone", "target_label": "marbofloxacin", "cosine_similarity": 0.1817084550857544 } }, { "source": "CID:5362119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "lisinopril-naftidrofuryl similarity", "source_label": "lisinopril", "target_label": "naftidrofuryl", "cosine_similarity": 0.4959554970264435 } }, { "source": "CID:6857791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "sappanone-a-pifithrin-mu similarity", "source_label": "sappanone-a", "target_label": "pifithrin-mu", "cosine_similarity": 0.4385481178760528 } }, { "source": "CID:46908929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "tofogliflozin-cladribine similarity", "source_label": "tofogliflozin", "target_label": "cladribine", "cosine_similarity": 0.4249413609504699 } }, { "source": "CID:3675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280450", "properties": { "id": "phenelzine-linoleic-acid similarity", "source_label": "phenelzine", "target_label": "linoleic-acid", "cosine_similarity": 0.4319857358932495 } }, { "source": "CID:44493156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60648", "properties": { "id": "SA-83851-tiagabine similarity", "source_label": "SA-83851", "target_label": "tiagabine", "cosine_similarity": 0.2285098880529403 } }, { "source": "CID:11712649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "MLN-8054-docetaxel similarity", "source_label": "MLN-8054", "target_label": "docetaxel", "cosine_similarity": 0.5337898135185242 } }, { "source": "CID:164509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549120", "properties": { "id": "talampanel-epalrestat similarity", "source_label": "talampanel", "target_label": "epalrestat", "cosine_similarity": 0.2208253890275955 } }, { "source": "CID:3585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54615594", "properties": { "id": "hemicholinium-3-SA-427730 similarity", "source_label": "hemicholinium-3", "target_label": "SA-427730", "cosine_similarity": 0.2750723958015442 } }, { "source": "CID:4054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "memantine-dexamethasone similarity", "source_label": "memantine", "target_label": "dexamethasone", "cosine_similarity": 0.2642360627651214 } }, { "source": "CID:5002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "quetiapine-VER-155008 similarity", "source_label": "quetiapine", "target_label": "VER-155008", "cosine_similarity": 0.3816324770450592 } }, { "source": "CID:2785467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "ARG-A1-2-RS-I-002-6 similarity", "source_label": "ARG-A1-2", "target_label": "RS-I-002-6", "cosine_similarity": 0.3797456920146942 } }, { "source": "CID:44507247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "SA-1017940-mocetinostat similarity", "source_label": "SA-1017940", "target_label": "mocetinostat", "cosine_similarity": 0.4670441746711731 } }, { "source": "CID:54617432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666790", "properties": { "id": "SA-424380-SA-1919918 similarity", "source_label": "SA-424380", "target_label": "SA-1919918", "cosine_similarity": 0.4514689445495605 } }, { "source": "CID:2819993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "P-5091-BCI-hydrochloride similarity", "source_label": "P-5091", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.3261128962039947 } }, { "source": "CID:53302361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "HG-6-64-01-TPCA-1 similarity", "source_label": "HG-6-64-01", "target_label": "TPCA-1", "cosine_similarity": 0.614942193031311 } }, { "source": "CID:3306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "etilefrine-fatostatin similarity", "source_label": "etilefrine", "target_label": "fatostatin", "cosine_similarity": 0.2798683643341064 } }, { "source": "CID:151170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "cilomilast-DPCPX similarity", "source_label": "cilomilast", "target_label": "DPCPX", "cosine_similarity": 0.4807840883731842 } }, { "source": "CID:5353852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994", "properties": { "id": "oxamflatin-M-344 similarity", "source_label": "oxamflatin", "target_label": "M-344", "cosine_similarity": 0.626021683216095 } }, { "source": "CID:5713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "YO-2-SA-441350 similarity", "source_label": "YO-2", "target_label": "SA-441350", "cosine_similarity": 0.2380413264036178 } }, { "source": "CID:44502578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-244358-FTI-276 similarity", "source_label": "SA-244358", "target_label": "FTI-276", "cosine_similarity": 0.3230856955051422 } }, { "source": "CID:5966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899", "properties": { "id": "demecarium-leflunomide similarity", "source_label": "demecarium", "target_label": "leflunomide", "cosine_similarity": 0.1832019537687301 } }, { "source": "CID:73265214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17748", "properties": { "id": "QL-XI-92-quinoclamine similarity", "source_label": "QL-XI-92", "target_label": "quinoclamine", "cosine_similarity": 0.2994909584522247 } }, { "source": "CID:6604931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3000022", "properties": { "id": "aminopurvalanol-a-MW-STK33-23 similarity", "source_label": "aminopurvalanol-a", "target_label": "MW-STK33-23", "cosine_similarity": 0.5222734808921814 } }, { "source": "CID:19001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "dithiothreitol-AICA-ribonucleotide similarity", "source_label": "dithiothreitol", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2422859519720077 } }, { "source": "CID:73707475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60773", "properties": { "id": "bacampicilline-valaciclovir similarity", "source_label": "bacampicilline", "target_label": "valaciclovir", "cosine_similarity": 0.2330066412687301 } }, { "source": "CID:44665680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "KU-C104502N-VER-155008 similarity", "source_label": "KU-C104502N", "target_label": "VER-155008", "cosine_similarity": 0.2649833559989929 } }, { "source": "CID:11519070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4725", "properties": { "id": "umeclidinium-penciclovir similarity", "source_label": "umeclidinium", "target_label": "penciclovir", "cosine_similarity": 0.4390833377838135 } }, { "source": "CID:3627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34633", "properties": { "id": "homochlorcyclizine-moracizine similarity", "source_label": "homochlorcyclizine", "target_label": "moracizine", "cosine_similarity": 0.3078138530254364 } }, { "source": "CID:659031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "EMF-sumo1-11-CVF-SUMO-11 similarity", "source_label": "EMF-sumo1-11", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.7591046094894409 } }, { "source": "CID:46224516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "UNC-0638-CAY-10594 similarity", "source_label": "UNC-0638", "target_label": "CAY-10594", "cosine_similarity": 0.711336612701416 } }, { "source": "CID:4135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "methyl-benzethonium-rhodomyrtoxin-b similarity", "source_label": "methyl-benzethonium", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.6551823616027832 } }, { "source": "CID:54892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "quinapril-CO-102862 similarity", "source_label": "quinapril", "target_label": "CO-102862", "cosine_similarity": 0.4469793736934662 } }, { "source": "CID:6710740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10330240", "properties": { "id": "endecaphyllin-x-VUF-5681 similarity", "source_label": "endecaphyllin-x", "target_label": "VUF-5681", "cosine_similarity": 0.2785220444202423 } }, { "source": "CID:25254071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "GDC-0980-AZD-8055 similarity", "source_label": "GDC-0980", "target_label": "AZD-8055", "cosine_similarity": 0.7653879523277283 } }, { "source": "CID:5314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2763", "properties": { "id": "succinylcholine-chloride-ciprofibrate similarity", "source_label": "succinylcholine-chloride", "target_label": "ciprofibrate", "cosine_similarity": 0.1795247793197631 } }, { "source": "CID:11691726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "balapiravir-SB-683698 similarity", "source_label": "balapiravir", "target_label": "SB-683698", "cosine_similarity": 0.44180828332901 } }, { "source": "CID:7079134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "JAS07-001-BG-STK33-55 similarity", "source_label": "JAS07-001", "target_label": "BG-STK33-55", "cosine_similarity": 0.2689895331859588 } }, { "source": "CID:9957280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "NNC-55-0396-CGP-71683 similarity", "source_label": "NNC-55-0396", "target_label": "CGP-71683", "cosine_similarity": 0.794522225856781 } }, { "source": "CID:4238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "molsidomine-inositol similarity", "source_label": "molsidomine", "target_label": "inositol", "cosine_similarity": 0.8139181733131409 } }, { "source": "CID:7534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439620", "properties": { "id": "eucatropine-oxalomalic-acid similarity", "source_label": "eucatropine", "target_label": "oxalomalic-acid", "cosine_similarity": 0.2429134994745254 } }, { "source": "CID:54658318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-1457188-SA-96805 similarity", "source_label": "SA-1457188", "target_label": "SA-96805", "cosine_similarity": 0.4087418913841247 } }, { "source": "CID:9902311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17755052", "properties": { "id": "TGX-115-GDC-0941 similarity", "source_label": "TGX-115", "target_label": "GDC-0941", "cosine_similarity": 0.5088358521461487 } }, { "source": "CID:5040063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312145", "properties": { "id": "PPT-Ro-04-6790 similarity", "source_label": "PPT", "target_label": "Ro-04-6790", "cosine_similarity": 0.1958728432655334 } }, { "source": "CID:54658741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658215", "properties": { "id": "SA-1459187-SA-1457103 similarity", "source_label": "SA-1459187", "target_label": "SA-1457103", "cosine_similarity": 0.2748477458953857 } }, { "source": "CID:3561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "haloprogin-BNTX similarity", "source_label": "haloprogin", "target_label": "BNTX", "cosine_similarity": 0.4684827923774719 } }, { "source": "CID:44241483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23986045", "properties": { "id": "VU-0403126-karakoline similarity", "source_label": "VU-0403126", "target_label": "karakoline", "cosine_similarity": 0.2955554127693176 } }, { "source": "CID:49843106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "ARG-CSC-26-MW-MITF22 similarity", "source_label": "ARG-CSC-26", "target_label": "MW-MITF22", "cosine_similarity": 0.2753558456897735 } }, { "source": "CID:31307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "triamcinolone-methylprednisolone similarity", "source_label": "triamcinolone", "target_label": "methylprednisolone", "cosine_similarity": 0.5517670512199402 } }, { "source": "CID:4760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "phenindione-RG-108 similarity", "source_label": "phenindione", "target_label": "RG-108", "cosine_similarity": 0.2326360940933227 } }, { "source": "CID:4456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4449", "properties": { "id": "neostigmine-nefazodone similarity", "source_label": "neostigmine", "target_label": "nefazodone", "cosine_similarity": 0.4734278917312622 } }, { "source": "CID:115348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "2-iodomelatonin-broxyquinoline similarity", "source_label": "2-iodomelatonin", "target_label": "broxyquinoline", "cosine_similarity": 0.3415202498435974 } }, { "source": "CID:119034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "asiatic-acid-amikacin similarity", "source_label": "asiatic-acid", "target_label": "amikacin", "cosine_similarity": 0.5091515183448792 } }, { "source": "CID:11560787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60648", "properties": { "id": "E-2012-tiagabine similarity", "source_label": "E-2012", "target_label": "tiagabine", "cosine_similarity": 0.3649902939796448 } }, { "source": "CID:23729157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "tirasemtiv-lacosamide similarity", "source_label": "tirasemtiv", "target_label": "lacosamide", "cosine_similarity": 0.437415212392807 } }, { "source": "CID:73707408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44493394", "properties": { "id": "megestrol-SA-90377 similarity", "source_label": "megestrol", "target_label": "SA-90377", "cosine_similarity": 0.2382079064846038 } }, { "source": "CID:127894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "LY-215490-lersivirine similarity", "source_label": "LY-215490", "target_label": "lersivirine", "cosine_similarity": 0.5470309257507324 } }, { "source": "CID:135440466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "BMS-536924-PIK-90 similarity", "source_label": "BMS-536924", "target_label": "PIK-90", "cosine_similarity": 0.5961629152297974 } }, { "source": "CID:11304743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "riociguat-repaglinide similarity", "source_label": "riociguat", "target_label": "repaglinide", "cosine_similarity": 0.4539465010166168 } }, { "source": "CID:45006145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "hydrocortisone-valerate-budesonide similarity", "source_label": "hydrocortisone-valerate", "target_label": "budesonide", "cosine_similarity": 0.3604781031608581 } }, { "source": "CID:2206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "phenazone-gossypin similarity", "source_label": "phenazone", "target_label": "gossypin", "cosine_similarity": 0.3298003077507019 } }, { "source": "CID:119461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187506", "properties": { "id": "AH-6809-SA-1937516 similarity", "source_label": "AH-6809", "target_label": "SA-1937516", "cosine_similarity": 0.1578988283872604 } }, { "source": "CID:11270783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8215", "properties": { "id": "GS-6201-AGP-103 similarity", "source_label": "GS-6201", "target_label": "AGP-103", "cosine_similarity": 0.1824110448360443 } }, { "source": "CID:11096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "pseudopelletierine-levosulpiride similarity", "source_label": "pseudopelletierine", "target_label": "levosulpiride", "cosine_similarity": 0.277148574590683 } }, { "source": "CID:13292831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "prostaglandin-sulforaphane similarity", "source_label": "prostaglandin", "target_label": "sulforaphane", "cosine_similarity": 0.4570118486881256 } }, { "source": "CID:9806489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "ZK-164015-bithionol similarity", "source_label": "ZK-164015", "target_label": "bithionol", "cosine_similarity": 0.5486704111099243 } }, { "source": "CID:16773791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "BG-1032-mocetinostat similarity", "source_label": "BG-1032", "target_label": "mocetinostat", "cosine_similarity": 0.5151324272155762 } }, { "source": "CID:123879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "ramatroban-orciprenaline similarity", "source_label": "ramatroban", "target_label": "orciprenaline", "cosine_similarity": 0.3071536421775818 } }, { "source": "CID:5311276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "L-168049-rhodomyrtoxin-b similarity", "source_label": "L-168049", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.3502000570297241 } }, { "source": "CID:4520732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148121", "properties": { "id": "BU-239-pralatrexate similarity", "source_label": "BU-239", "target_label": "pralatrexate", "cosine_similarity": 0.3779164254665375 } }, { "source": "CID:10160238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918184", "properties": { "id": "tasisulam-Y-27152 similarity", "source_label": "tasisulam", "target_label": "Y-27152", "cosine_similarity": 0.3900801837444305 } }, { "source": "CID:73157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3002119", "properties": { "id": "lobaric-acid-fursultiamine similarity", "source_label": "lobaric-acid", "target_label": "fursultiamine", "cosine_similarity": 0.2442115843296051 } }, { "source": "CID:9869929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71157", "properties": { "id": "avanafil-nefiracetam similarity", "source_label": "avanafil", "target_label": "nefiracetam", "cosine_similarity": 0.3864716589450836 } }, { "source": "CID:3447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604926", "properties": { "id": "gabexate-SB-334867 similarity", "source_label": "gabexate", "target_label": "SB-334867", "cosine_similarity": 0.3870193362236023 } }, { "source": "CID:24747273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "PSH-010-dubinidine similarity", "source_label": "PSH-010", "target_label": "dubinidine", "cosine_similarity": 0.3636133372783661 } }, { "source": "CID:637566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:110634", "properties": { "id": "nerol-vardenafil similarity", "source_label": "nerol", "target_label": "vardenafil", "cosine_similarity": 0.2705722451210022 } }, { "source": "CID:44640178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "KU-C104488-remacemide similarity", "source_label": "KU-C104488", "target_label": "remacemide", "cosine_similarity": 0.3066494166851043 } }, { "source": "CID:67475270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128563", "properties": { "id": "LY-3000328-salvinorin-a similarity", "source_label": "LY-3000328", "target_label": "salvinorin-a", "cosine_similarity": 0.177483782172203 } }, { "source": "CID:53377408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "MW-STK33-97-TUL-XXI039 similarity", "source_label": "MW-STK33-97", "target_label": "TUL-XXI039", "cosine_similarity": 0.3865441083908081 } }, { "source": "CID:73707386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "prima-1-met-JZL-184 similarity", "source_label": "prima-1-met", "target_label": "JZL-184", "cosine_similarity": 0.4714248776435852 } }, { "source": "CID:60185223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-1939079-SA-1473405 similarity", "source_label": "SA-1939079", "target_label": "SA-1473405", "cosine_similarity": 0.2769723534584045 } }, { "source": "CID:4284720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "BW-723C86-NTNCB similarity", "source_label": "BW-723C86", "target_label": "NTNCB", "cosine_similarity": 0.2576363682746887 } }, { "source": "CID:10770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "hexylcaine-XAV-939 similarity", "source_label": "hexylcaine", "target_label": "XAV-939", "cosine_similarity": 0.2583681941032409 } }, { "source": "CID:46943243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "VU-0424182-2-MW-MITF28 similarity", "source_label": "VU-0424182-2", "target_label": "MW-MITF28", "cosine_similarity": 0.2572557628154754 } }, { "source": "CID:148121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "pralatrexate-methotrexate similarity", "source_label": "pralatrexate", "target_label": "methotrexate", "cosine_similarity": 0.634286105632782 } }, { "source": "CID:44511091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:168613", "properties": { "id": "formestane-timolol similarity", "source_label": "formestane", "target_label": "timolol", "cosine_similarity": 0.3185192942619324 } }, { "source": "CID:72390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3289", "properties": { "id": "thiazolidinecarboxylic-acid-ethoprop similarity", "source_label": "thiazolidinecarboxylic-acid", "target_label": "ethoprop", "cosine_similarity": 0.2384968698024749 } }, { "source": "CID:5702095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "noretynodrel-DL-TBOA similarity", "source_label": "noretynodrel", "target_label": "DL-TBOA", "cosine_similarity": 0.2512404918670654 } }, { "source": "CID:126280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4534086", "properties": { "id": "indatraline-KB-R7943 similarity", "source_label": "indatraline", "target_label": "KB-R7943", "cosine_similarity": 0.4724700450897217 } }, { "source": "CID:5281614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "fisetin-pipenzolate similarity", "source_label": "fisetin", "target_label": "pipenzolate", "cosine_similarity": 0.5636061429977417 } }, { "source": "CID:16061185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2419", "properties": { "id": "mead-ethanolamide-BMY-7378 similarity", "source_label": "mead-ethanolamide", "target_label": "BMY-7378", "cosine_similarity": 0.317828893661499 } }, { "source": "CID:5286534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "STOCK1S-03920-tyrphostin-A9 similarity", "source_label": "STOCK1S-03920", "target_label": "tyrphostin-A9", "cosine_similarity": 0.410330593585968 } }, { "source": "CID:6610281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5735", "properties": { "id": "lithium-chloride-zopiclone similarity", "source_label": "lithium-chloride", "target_label": "zopiclone", "cosine_similarity": 0.4924680888652801 } }, { "source": "CID:134778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "ICI-162846-yohimbine similarity", "source_label": "ICI-162846", "target_label": "yohimbine", "cosine_similarity": 0.571419358253479 } }, { "source": "CID:379077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "NSC-663284-STK-397047 similarity", "source_label": "NSC-663284", "target_label": "STK-397047", "cosine_similarity": 0.635275661945343 } }, { "source": "CID:5070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "riluzole-prima-1-met similarity", "source_label": "riluzole", "target_label": "prima-1-met", "cosine_similarity": 0.4361243546009063 } }, { "source": "CID:5701996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "isoreserpine-KU-C104140 similarity", "source_label": "isoreserpine", "target_label": "KU-C104140", "cosine_similarity": 0.2701779901981354 } }, { "source": "CID:3151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061509", "properties": { "id": "domperidone-bavisant similarity", "source_label": "domperidone", "target_label": "bavisant", "cosine_similarity": 0.1875229030847549 } }, { "source": "CID:54197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320", "properties": { "id": "ceftazidime-sulfacetamide similarity", "source_label": "ceftazidime", "target_label": "sulfacetamide", "cosine_similarity": 0.2061196416616439 } }, { "source": "CID:5281881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "flupentixol-BIBU-1361 similarity", "source_label": "flupentixol", "target_label": "BIBU-1361", "cosine_similarity": 0.5017837882041931 } }, { "source": "CID:92409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "SKF-89976A-diazoxide similarity", "source_label": "SKF-89976A", "target_label": "diazoxide", "cosine_similarity": 0.3572865128517151 } }, { "source": "CID:637566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5641", "properties": { "id": "nerol-urethane similarity", "source_label": "nerol", "target_label": "urethane", "cosine_similarity": 0.3445509672164917 } }, { "source": "CID:2107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707561", "properties": { "id": "alpha-methylserotonin-desmethyl-DASB similarity", "source_label": "alpha-methylserotonin", "target_label": "desmethyl-DASB", "cosine_similarity": 0.2291954904794693 } }, { "source": "CID:13782419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "PSB-069-herniarin similarity", "source_label": "PSB-069", "target_label": "herniarin", "cosine_similarity": 0.3544605374336242 } }, { "source": "CID:3111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "metamizole-mCPP similarity", "source_label": "metamizole", "target_label": "mCPP", "cosine_similarity": 0.4365684986114502 } }, { "source": "CID:3062316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "dasatinib-PP-2 similarity", "source_label": "dasatinib", "target_label": "PP-2", "cosine_similarity": 0.539060115814209 } }, { "source": "CID:3568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "EI-273-JAS07-006 similarity", "source_label": "EI-273", "target_label": "JAS07-006", "cosine_similarity": 0.4415783882141113 } }, { "source": "CID:9841972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "BRL-37344-ML-161 similarity", "source_label": "BRL-37344", "target_label": "ML-161", "cosine_similarity": 0.2667254209518432 } }, { "source": "CID:3932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "linopirdine-dideoxyadenosine similarity", "source_label": "linopirdine", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3792689442634582 } }, { "source": "CID:4780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "1-phenylbiguanide-6-hydroxytropinone similarity", "source_label": "1-phenylbiguanide", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.2640141546726227 } }, { "source": "CID:4116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11617559", "properties": { "id": "methoxyflurane-GW-2580 similarity", "source_label": "methoxyflurane", "target_label": "GW-2580", "cosine_similarity": 0.2760721147060394 } }, { "source": "CID:40469854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5037", "properties": { "id": "flumethasone-ramifenazone similarity", "source_label": "flumethasone", "target_label": "ramifenazone", "cosine_similarity": 0.3310466408729553 } }, { "source": "CID:24856238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "FU-JMBII227B-manumycin-a similarity", "source_label": "FU-JMBII227B", "target_label": "manumycin-a", "cosine_similarity": 0.4157094359397888 } }, { "source": "CID:2972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9818682", "properties": { "id": "deferiprone-UK-383367 similarity", "source_label": "deferiprone", "target_label": "UK-383367", "cosine_similarity": 0.2976391315460205 } }, { "source": "CID:3718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "indoprofen-milnacipran similarity", "source_label": "indoprofen", "target_label": "milnacipran", "cosine_similarity": 0.4118035137653351 } }, { "source": "CID:31275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "dioxane-mannitol similarity", "source_label": "dioxane", "target_label": "mannitol", "cosine_similarity": 0.2121810019016266 } }, { "source": "CID:44483291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "medrysone-halcinonide similarity", "source_label": "medrysone", "target_label": "halcinonide", "cosine_similarity": 0.5171797275543213 } }, { "source": "CID:54654441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68210102", "properties": { "id": "SA-1480001-GSK-2816126 similarity", "source_label": "SA-1480001", "target_label": "GSK-2816126", "cosine_similarity": 0.2491431683301925 } }, { "source": "CID:2467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "buflomedil-ABT-202 similarity", "source_label": "buflomedil", "target_label": "ABT-202", "cosine_similarity": 0.3208861052989959 } }, { "source": "CID:5723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "zardaverine-nateglinide similarity", "source_label": "zardaverine", "target_label": "nateglinide", "cosine_similarity": 0.4315115809440613 } }, { "source": "CID:2145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "aminoglutethimide-pritelivir similarity", "source_label": "aminoglutethimide", "target_label": "pritelivir", "cosine_similarity": 0.4849298596382141 } }, { "source": "CID:107780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "GR-127935-terfenadine similarity", "source_label": "GR-127935", "target_label": "terfenadine", "cosine_similarity": 0.7077482342720032 } }, { "source": "CID:44507307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500308", "properties": { "id": "SA-247654-SA-243193 similarity", "source_label": "SA-247654", "target_label": "SA-243193", "cosine_similarity": 0.2464194744825363 } }, { "source": "CID:3108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "dipyridamole-saxagliptin similarity", "source_label": "dipyridamole", "target_label": "saxagliptin", "cosine_similarity": 0.518655002117157 } }, { "source": "CID:6604889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "SB-269970-APO-866 similarity", "source_label": "SB-269970", "target_label": "APO-866", "cosine_similarity": 0.3221659958362579 } }, { "source": "CID:49849912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "CAM-9-027-3-sertraline similarity", "source_label": "CAM-9-027-3", "target_label": "sertraline", "cosine_similarity": 0.5958369374275208 } }, { "source": "CID:11224409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "radezolid-mecamylamine similarity", "source_label": "radezolid", "target_label": "mecamylamine", "cosine_similarity": 0.2975018620491028 } }, { "source": "CID:135511839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:171548", "properties": { "id": "carbadox-biotin similarity", "source_label": "carbadox", "target_label": "biotin", "cosine_similarity": 0.2914787530899048 } }, { "source": "CID:44488857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-84905-SA-1458902 similarity", "source_label": "SA-84905", "target_label": "SA-1458902", "cosine_similarity": 0.5020189881324768 } }, { "source": "CID:44607584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "KU-C104137-KU-C104140 similarity", "source_label": "KU-C104137", "target_label": "KU-C104140", "cosine_similarity": 0.4346446692943573 } }, { "source": "CID:44199317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23725625", "properties": { "id": "AZD-2461-olaparib similarity", "source_label": "AZD-2461", "target_label": "olaparib", "cosine_similarity": 0.3134228885173797 } }, { "source": "CID:673465", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "evoxine-myricetin similarity", "source_label": "evoxine", "target_label": "myricetin", "cosine_similarity": 0.3191380202770233 } }, { "source": "CID:5023925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "butabindide-L-689560 similarity", "source_label": "butabindide", "target_label": "L-689560", "cosine_similarity": 0.2712768614292145 } }, { "source": "CID:10152654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216327", "properties": { "id": "odanacatib-senicapoc similarity", "source_label": "odanacatib", "target_label": "senicapoc", "cosine_similarity": 0.3414154350757599 } }, { "source": "CID:44208964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676038", "properties": { "id": "SDZ-NKT-343-dicoumarol similarity", "source_label": "SDZ-NKT-343", "target_label": "dicoumarol", "cosine_similarity": 0.2801551818847656 } }, { "source": "CID:16118392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "golvatinib-palovarotene similarity", "source_label": "golvatinib", "target_label": "palovarotene", "cosine_similarity": 0.3300837278366089 } }, { "source": "CID:5281743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "retrorsine-iniparib similarity", "source_label": "retrorsine", "target_label": "iniparib", "cosine_similarity": 0.2385862320661544 } }, { "source": "CID:44504286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-102042-SA-1457188 similarity", "source_label": "SA-102042", "target_label": "SA-1457188", "cosine_similarity": 0.3569951057434082 } }, { "source": "CID:3503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "gossypol-Ro-28-1675 similarity", "source_label": "gossypol", "target_label": "Ro-28-1675", "cosine_similarity": 0.5151847004890442 } }, { "source": "CID:6437068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82755", "properties": { "id": "enevalproate-hydroxytyrosol similarity", "source_label": "enevalproate", "target_label": "hydroxytyrosol", "cosine_similarity": 0.2153002470731735 } }, { "source": "CID:9549213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23351218", "properties": { "id": "PU-H71-radicicol similarity", "source_label": "PU-H71", "target_label": "radicicol", "cosine_similarity": 0.7324824929237366 } }, { "source": "CID:9832447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77999", "properties": { "id": "efatutazone-rosiglitazone similarity", "source_label": "efatutazone", "target_label": "rosiglitazone", "cosine_similarity": 0.3793073296546936 } }, { "source": "CID:9926832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12555", "properties": { "id": "mavoglurant-benzydamine similarity", "source_label": "mavoglurant", "target_label": "benzydamine", "cosine_similarity": 0.1575366854667663 } }, { "source": "CID:9956222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "YM-201636-amiodarone similarity", "source_label": "YM-201636", "target_label": "amiodarone", "cosine_similarity": 0.4671378135681152 } }, { "source": "CID:409805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "NSC-23766-myriocin similarity", "source_label": "NSC-23766", "target_label": "myriocin", "cosine_similarity": 0.5080657005310059 } }, { "source": "CID:22152353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "ORG-9768-lorcaserin similarity", "source_label": "ORG-9768", "target_label": "lorcaserin", "cosine_similarity": 0.4944682419300079 } }, { "source": "CID:2910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "cyclothiazide-salicyl-alcohol similarity", "source_label": "cyclothiazide", "target_label": "salicyl-alcohol", "cosine_similarity": 0.5503647327423096 } }, { "source": "CID:24857885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "PTB1-GW-9662 similarity", "source_label": "PTB1", "target_label": "GW-9662", "cosine_similarity": 0.4929918050765991 } }, { "source": "CID:5714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10446295", "properties": { "id": "YS-035-JNJ-10191584 similarity", "source_label": "YS-035", "target_label": "JNJ-10191584", "cosine_similarity": 0.2129540890455246 } }, { "source": "CID:1092458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "DAC-013-myricetin similarity", "source_label": "DAC-013", "target_label": "myricetin", "cosine_similarity": 0.5158876180648804 } }, { "source": "CID:107838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "noreleagnine-rolipram similarity", "source_label": "noreleagnine", "target_label": "rolipram", "cosine_similarity": 0.3099924325942993 } }, { "source": "CID:435678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3213", "properties": { "id": "HLI-373-ellipticine similarity", "source_label": "HLI-373", "target_label": "ellipticine", "cosine_similarity": 0.6020117402076721 } }, { "source": "CID:4452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "nemonapride-PF-04457845 similarity", "source_label": "nemonapride", "target_label": "PF-04457845", "cosine_similarity": 0.5049782395362854 } }, { "source": "CID:3950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629987", "properties": { "id": "lomustine-brivudine similarity", "source_label": "lomustine", "target_label": "brivudine", "cosine_similarity": 0.3677509427070617 } }, { "source": "CID:4277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "dicyclohexylurea-alfuzosin similarity", "source_label": "dicyclohexylurea", "target_label": "alfuzosin", "cosine_similarity": 0.2008201479911804 } }, { "source": "CID:25154868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "PF-750-vemurafenib similarity", "source_label": "PF-750", "target_label": "vemurafenib", "cosine_similarity": 0.3853301107883453 } }, { "source": "CID:44828478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11289", "properties": { "id": "KUC104547N-chlorotrianisene similarity", "source_label": "KUC104547N", "target_label": "chlorotrianisene", "cosine_similarity": 0.2038886547088623 } }, { "source": "CID:60189692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505239", "properties": { "id": "SA-1938740-SA-419021 similarity", "source_label": "SA-1938740", "target_label": "SA-419021", "cosine_similarity": 0.296291708946228 } }, { "source": "CID:15331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "daminozide-KIN001-055 similarity", "source_label": "daminozide", "target_label": "KIN001-055", "cosine_similarity": 0.3667879700660705 } }, { "source": "CID:213046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "lurasidone-sarcosine similarity", "source_label": "lurasidone", "target_label": "sarcosine", "cosine_similarity": 0.4199124872684479 } }, { "source": "CID:68844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353623", "properties": { "id": "brinzolamide-farnesylthioacetic-acid similarity", "source_label": "brinzolamide", "target_label": "farnesylthioacetic-acid", "cosine_similarity": 0.2693049907684326 } }, { "source": "CID:7028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "pseudoephedrine-APO-866 similarity", "source_label": "pseudoephedrine", "target_label": "APO-866", "cosine_similarity": 0.2796564996242523 } }, { "source": "CID:23902994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "BL-077-KU-C104140 similarity", "source_label": "BL-077", "target_label": "KU-C104140", "cosine_similarity": 0.2601591050624847 } }, { "source": "CID:30668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "lofexidine-lamivudine similarity", "source_label": "lofexidine", "target_label": "lamivudine", "cosine_similarity": 0.4958651959896087 } }, { "source": "CID:3689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2756", "properties": { "id": "ifenprodil-cimetidine similarity", "source_label": "ifenprodil", "target_label": "cimetidine", "cosine_similarity": 0.3026700019836426 } }, { "source": "CID:3690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "ifosfamide-tetrahydrouridine similarity", "source_label": "ifosfamide", "target_label": "tetrahydrouridine", "cosine_similarity": 0.7783316969871521 } }, { "source": "CID:34633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "moracizine-cilomilast similarity", "source_label": "moracizine", "target_label": "cilomilast", "cosine_similarity": 0.4036428034305572 } }, { "source": "CID:5328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4628", "properties": { "id": "sulfamethizole-oxolinic-acid similarity", "source_label": "sulfamethizole", "target_label": "oxolinic-acid", "cosine_similarity": 0.2719671726226806 } }, { "source": "CID:24795070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "SGI-1776-STA-5326 similarity", "source_label": "SGI-1776", "target_label": "STA-5326", "cosine_similarity": 0.4760346412658691 } }, { "source": "CID:2820118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448912", "properties": { "id": "KM-03439-aloisine similarity", "source_label": "KM-03439", "target_label": "aloisine", "cosine_similarity": 0.2452193200588226 } }, { "source": "CID:44629410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "ARG-TC-41-ropinirole similarity", "source_label": "ARG-TC-41", "target_label": "ropinirole", "cosine_similarity": 0.3476594686508178 } }, { "source": "CID:3961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "losartan-PRIMA1 similarity", "source_label": "losartan", "target_label": "PRIMA1", "cosine_similarity": 0.5273842811584473 } }, { "source": "CID:4210951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "SB-415286-CHIR-99021 similarity", "source_label": "SB-415286", "target_label": "CHIR-99021", "cosine_similarity": 0.4222553074359894 } }, { "source": "CID:16095342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "GSK-269962-temsirolimus similarity", "source_label": "GSK-269962", "target_label": "temsirolimus", "cosine_similarity": 0.3538606762886047 } }, { "source": "CID:72016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "efaroxan-cyclothiazide similarity", "source_label": "efaroxan", "target_label": "cyclothiazide", "cosine_similarity": 0.3365130126476288 } }, { "source": "CID:51049968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10235", "properties": { "id": "BMS-927711-cytisine similarity", "source_label": "BMS-927711", "target_label": "cytisine", "cosine_similarity": 0.4227058291435241 } }, { "source": "CID:5283454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "oleoylethanolamide-AICA-ribonucleotide similarity", "source_label": "oleoylethanolamide", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3235098123550415 } }, { "source": "CID:216210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "dabigatran-selumetinib similarity", "source_label": "dabigatran", "target_label": "selumetinib", "cosine_similarity": 0.1797691881656646 } }, { "source": "CID:941650", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "thiothixene-STA-5326 similarity", "source_label": "thiothixene", "target_label": "STA-5326", "cosine_similarity": 0.4912204146385193 } }, { "source": "CID:8480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4421", "properties": { "id": "carbarsone-nalidixic-acid similarity", "source_label": "carbarsone", "target_label": "nalidixic-acid", "cosine_similarity": 0.3413388133049011 } }, { "source": "CID:3938007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6037", "properties": { "id": "ZD-7288-folic-acid similarity", "source_label": "ZD-7288", "target_label": "folic-acid", "cosine_similarity": 0.5003253221511841 } }, { "source": "CID:10109069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "NS-3694-ASN-05257430 similarity", "source_label": "NS-3694", "target_label": "ASN-05257430", "cosine_similarity": 0.282817542552948 } }, { "source": "CID:4633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115193", "properties": { "id": "oxybuprocaine-isofloxythepin similarity", "source_label": "oxybuprocaine", "target_label": "isofloxythepin", "cosine_similarity": 0.3952962160110473 } }, { "source": "CID:5865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "prednisone-halcinonide similarity", "source_label": "prednisone", "target_label": "halcinonide", "cosine_similarity": 0.4429768621921539 } }, { "source": "CID:21700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "beclomethasone-dipropionate-fluticasone-propionate similarity", "source_label": "beclomethasone-dipropionate", "target_label": "fluticasone-propionate", "cosine_similarity": 0.6371312141418457 } }, { "source": "CID:3374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "flumequine-danegaptide similarity", "source_label": "flumequine", "target_label": "danegaptide", "cosine_similarity": 0.3028261959552765 } }, { "source": "CID:11949652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3001077", "properties": { "id": "teneligliptin-fusidic-acid similarity", "source_label": "teneligliptin", "target_label": "fusidic-acid", "cosine_similarity": 0.3769382238388061 } }, { "source": "CID:76033918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:689043", "properties": { "id": "methylstat-caffeic-acid similarity", "source_label": "methylstat", "target_label": "caffeic-acid", "cosine_similarity": 0.3545815944671631 } }, { "source": "CID:19728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "noscapine-methimazole similarity", "source_label": "noscapine", "target_label": "methimazole", "cosine_similarity": 0.2961988747119903 } }, { "source": "CID:56654642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "RG-2833-tacedinaline similarity", "source_label": "RG-2833", "target_label": "tacedinaline", "cosine_similarity": 0.4592222273349762 } }, { "source": "CID:57242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "LY-16350-YK-4279 similarity", "source_label": "LY-16350", "target_label": "YK-4279", "cosine_similarity": 0.2432309687137603 } }, { "source": "CID:25066467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "rebastinib-PF-562271 similarity", "source_label": "rebastinib", "target_label": "PF-562271", "cosine_similarity": 0.2655427157878876 } }, { "source": "CID:25066467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45100448", "properties": { "id": "rebastinib-ML-179 similarity", "source_label": "rebastinib", "target_label": "ML-179", "cosine_similarity": 0.2467582076787948 } }, { "source": "CID:8215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9862248", "properties": { "id": "AGP-103-sobetirome similarity", "source_label": "AGP-103", "target_label": "sobetirome", "cosine_similarity": 0.2687937319278717 } }, { "source": "CID:4705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604780", "properties": { "id": "PD-153035-ZD-7114 similarity", "source_label": "PD-153035", "target_label": "ZD-7114", "cosine_similarity": 0.2458117455244064 } }, { "source": "CID:24747172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "PSH-022-NM-PP1 similarity", "source_label": "PSH-022", "target_label": "NM-PP1", "cosine_similarity": 0.2950490713119507 } }, { "source": "CID:170344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "etifenin-SA-427543 similarity", "source_label": "etifenin", "target_label": "SA-427543", "cosine_similarity": 0.2606380879878998 } }, { "source": "CID:136238508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610268", "properties": { "id": "rifapentine-berbamine similarity", "source_label": "rifapentine", "target_label": "berbamine", "cosine_similarity": 0.2339011579751968 } }, { "source": "CID:54654429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "SA-1472655-NMS-1286937 similarity", "source_label": "SA-1472655", "target_label": "NMS-1286937", "cosine_similarity": 0.2752799093723297 } }, { "source": "CID:151289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "evodiamine-chelidonine similarity", "source_label": "evodiamine", "target_label": "chelidonine", "cosine_similarity": 0.4932219684123993 } }, { "source": "CID:6399253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "cefdinir-nevirapine similarity", "source_label": "cefdinir", "target_label": "nevirapine", "cosine_similarity": 0.3629733324050903 } }, { "source": "CID:11716890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "YM-298198-BMS-641988 similarity", "source_label": "YM-298198", "target_label": "BMS-641988", "cosine_similarity": 0.2784443199634552 } }, { "source": "CID:23975549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "I-505056-tyrphostin-A9 similarity", "source_label": "I-505056", "target_label": "tyrphostin-A9", "cosine_similarity": 0.6507353186607361 } }, { "source": "CID:483407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "maraviroc-brivanib similarity", "source_label": "maraviroc", "target_label": "brivanib", "cosine_similarity": 0.4405058920383453 } }, { "source": "CID:9549213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288674", "properties": { "id": "PU-H71-alvespimycin similarity", "source_label": "PU-H71", "target_label": "alvespimycin", "cosine_similarity": 0.7488656044006348 } }, { "source": "CID:4930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3741", "properties": { "id": "pronetalol-ioversol similarity", "source_label": "pronetalol", "target_label": "ioversol", "cosine_similarity": 0.2480630278587341 } }, { "source": "CID:24988881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "MK-8245-vandetanib similarity", "source_label": "MK-8245", "target_label": "vandetanib", "cosine_similarity": 0.4670257270336151 } }, { "source": "CID:460612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "melphalan-topotecan similarity", "source_label": "melphalan", "target_label": "topotecan", "cosine_similarity": 0.4069046080112457 } }, { "source": "CID:6604928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3337816", "properties": { "id": "GS-39783-CCMQ similarity", "source_label": "GS-39783", "target_label": "CCMQ", "cosine_similarity": 0.2608479261398315 } }, { "source": "CID:6710622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "bicuculline-herniarin similarity", "source_label": "bicuculline", "target_label": "herniarin", "cosine_similarity": 0.3216443955898285 } }, { "source": "CID:10168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475", "properties": { "id": "rhein-tilorone similarity", "source_label": "rhein", "target_label": "tilorone", "cosine_similarity": 0.3281436264514923 } }, { "source": "CID:10429242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "CAY-10415-evodiamine similarity", "source_label": "CAY-10415", "target_label": "evodiamine", "cosine_similarity": 0.2698353826999664 } }, { "source": "CID:44483287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "TC-2559-cefixime similarity", "source_label": "TC-2559", "target_label": "cefixime", "cosine_similarity": 0.3245303928852081 } }, { "source": "CID:2763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1534", "properties": { "id": "ciprofibrate-aminomethyltransferase similarity", "source_label": "ciprofibrate", "target_label": "aminomethyltransferase", "cosine_similarity": 0.2524948120117187 } }, { "source": "CID:17277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3736", "properties": { "id": "methyl-dopate-iopromide similarity", "source_label": "methyl-dopate", "target_label": "iopromide", "cosine_similarity": 0.2611484229564667 } }, { "source": "CID:16667717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "alclometasone-dexamethasone similarity", "source_label": "alclometasone", "target_label": "dexamethasone", "cosine_similarity": 0.390314906835556 } }, { "source": "CID:3610881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "EMF-sumo1-5-PT-630 similarity", "source_label": "EMF-sumo1-5", "target_label": "PT-630", "cosine_similarity": 0.338726282119751 } }, { "source": "CID:131747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155815", "properties": { "id": "SR-57227A-varespladib similarity", "source_label": "SR-57227A", "target_label": "varespladib", "cosine_similarity": 0.3928606808185577 } }, { "source": "CID:124087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "desloratadine-dichlorobenzamil similarity", "source_label": "desloratadine", "target_label": "dichlorobenzamil", "cosine_similarity": 0.3003934919834137 } }, { "source": "CID:688272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "levosulpiride-indinavir similarity", "source_label": "levosulpiride", "target_label": "indinavir", "cosine_similarity": 0.4361404180526733 } }, { "source": "CID:200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "AICA-ribonucleotide-vinpocetine similarity", "source_label": "AICA-ribonucleotide", "target_label": "vinpocetine", "cosine_similarity": 0.4336206912994385 } }, { "source": "CID:2746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "tacedinaline-entinostat similarity", "source_label": "tacedinaline", "target_label": "entinostat", "cosine_similarity": 0.8487434387207031 } }, { "source": "CID:9330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "benactyzine-L-ergothioneine similarity", "source_label": "benactyzine", "target_label": "L-ergothioneine", "cosine_similarity": 0.3756616115570068 } }, { "source": "CID:2566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2471", "properties": { "id": "carbofuran-bumetanide similarity", "source_label": "carbofuran", "target_label": "bumetanide", "cosine_similarity": 0.3002145290374756 } }, { "source": "CID:2453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "broxyquinoline-iodoquinol similarity", "source_label": "broxyquinoline", "target_label": "iodoquinol", "cosine_similarity": 0.4202472269535064 } }, { "source": "CID:6604009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "SB-222200-dexloxiglumide similarity", "source_label": "SB-222200", "target_label": "dexloxiglumide", "cosine_similarity": 0.3752991259098053 } }, { "source": "CID:2075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "aklomide-dipyrocetyl similarity", "source_label": "aklomide", "target_label": "dipyrocetyl", "cosine_similarity": 0.316473126411438 } }, { "source": "CID:121396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "carglumic-acid-taranabant similarity", "source_label": "carglumic-acid", "target_label": "taranabant", "cosine_similarity": 0.3613723218441009 } }, { "source": "CID:7638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4708", "properties": { "id": "monobenzone-PD-168393 similarity", "source_label": "monobenzone", "target_label": "PD-168393", "cosine_similarity": 0.291747510433197 } }, { "source": "CID:4020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "mazindol-alaproclate similarity", "source_label": "mazindol", "target_label": "alaproclate", "cosine_similarity": 0.3746433854103088 } }, { "source": "CID:2466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "bufexamac-Ro-4987655 similarity", "source_label": "bufexamac", "target_label": "Ro-4987655", "cosine_similarity": 0.2485707253217697 } }, { "source": "CID:4995951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "PD-102807-NNC-55-0396 similarity", "source_label": "PD-102807", "target_label": "NNC-55-0396", "cosine_similarity": 0.5255336761474609 } }, { "source": "CID:89594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "nicotine-nafamostat similarity", "source_label": "nicotine", "target_label": "nafamostat", "cosine_similarity": 0.3652591407299042 } }, { "source": "CID:44620122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34359", "properties": { "id": "SD-6-035-A9-carbidopa similarity", "source_label": "SD-6-035-A9", "target_label": "carbidopa", "cosine_similarity": 0.2538772821426391 } }, { "source": "CID:44557636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "dipraglurant-felodipine similarity", "source_label": "dipraglurant", "target_label": "felodipine", "cosine_similarity": 0.3930897414684295 } }, { "source": "CID:119584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "mosapride-molsidomine similarity", "source_label": "mosapride", "target_label": "molsidomine", "cosine_similarity": 0.3580372333526611 } }, { "source": "CID:11658860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "lorcaserin-vortioxetine similarity", "source_label": "lorcaserin", "target_label": "vortioxetine", "cosine_similarity": 0.6060025095939636 } }, { "source": "CID:3678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5585", "properties": { "id": "alverine-trioxsalen similarity", "source_label": "alverine", "target_label": "trioxsalen", "cosine_similarity": 0.2373666614294052 } }, { "source": "CID:8215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4850", "properties": { "id": "AGP-103-piribedil similarity", "source_label": "AGP-103", "target_label": "piribedil", "cosine_similarity": 0.3261144161224365 } }, { "source": "CID:73707398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "MD-040-auranofin similarity", "source_label": "MD-040", "target_label": "auranofin", "cosine_similarity": 0.4734533727169037 } }, { "source": "CID:7333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "ditolylguanidine-fluoropyruvate similarity", "source_label": "ditolylguanidine", "target_label": "fluoropyruvate", "cosine_similarity": 0.2076270431280136 } }, { "source": "CID:5426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "thalidomide-amisulpride similarity", "source_label": "thalidomide", "target_label": "amisulpride", "cosine_similarity": 0.4936141073703766 } }, { "source": "CID:644076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "lypressin-linifanib similarity", "source_label": "lypressin", "target_label": "linifanib", "cosine_similarity": 0.3090807199478149 } }, { "source": "CID:4259181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "SCH-79797-CHEMBL-374350 similarity", "source_label": "SCH-79797", "target_label": "CHEMBL-374350", "cosine_similarity": 0.6157668828964233 } }, { "source": "CID:9911830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "tivozanib-PP-2 similarity", "source_label": "tivozanib", "target_label": "PP-2", "cosine_similarity": 0.4160063862800598 } }, { "source": "CID:54657693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "SA-1973509-KU-C104493 similarity", "source_label": "SA-1973509", "target_label": "KU-C104493", "cosine_similarity": 0.4335470199584961 } }, { "source": "CID:53359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707524", "properties": { "id": "tolrestat-stanozolol similarity", "source_label": "tolrestat", "target_label": "stanozolol", "cosine_similarity": 0.218553826212883 } }, { "source": "CID:44489864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "SA-424589-molsidomine similarity", "source_label": "SA-424589", "target_label": "molsidomine", "cosine_similarity": 0.3658208847045898 } }, { "source": "CID:6572379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16758175", "properties": { "id": "PSH-013-acivicin similarity", "source_label": "PSH-013", "target_label": "acivicin", "cosine_similarity": 0.3323960304260254 } }, { "source": "CID:16667695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "selamectin-I-070759 similarity", "source_label": "selamectin", "target_label": "I-070759", "cosine_similarity": 0.3557449877262115 } }, { "source": "CID:4988454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6399253", "properties": { "id": "Z160-cefdinir similarity", "source_label": "Z160", "target_label": "cefdinir", "cosine_similarity": 0.3241786658763885 } }, { "source": "CID:3845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "kynurenic-acid-AICA-ribonucleotide similarity", "source_label": "kynurenic-acid", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2314831018447876 } }, { "source": "CID:11351968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "A-740003-herniarin similarity", "source_label": "A-740003", "target_label": "herniarin", "cosine_similarity": 0.2327699512243271 } }, { "source": "CID:4705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23817954", "properties": { "id": "PD-153035-josamycin similarity", "source_label": "PD-153035", "target_label": "josamycin", "cosine_similarity": 0.2494795173406601 } }, { "source": "CID:637568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "dimethyl-fumarate-aminoguanidine similarity", "source_label": "dimethyl-fumarate", "target_label": "aminoguanidine", "cosine_similarity": 0.4518339037895202 } }, { "source": "CID:4595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "ondansetron-JZL-184 similarity", "source_label": "ondansetron", "target_label": "JZL-184", "cosine_similarity": 0.3374671339988708 } }, { "source": "CID:73707349", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "BG-1003-vorinostat similarity", "source_label": "BG-1003", "target_label": "vorinostat", "cosine_similarity": 0.6788503527641296 } }, { "source": "CID:4988454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "Z160-diclofenac similarity", "source_label": "Z160", "target_label": "diclofenac", "cosine_similarity": 0.2583293914794922 } }, { "source": "CID:78357816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60910", "properties": { "id": "VT-464-mifobate similarity", "source_label": "VT-464", "target_label": "mifobate", "cosine_similarity": 0.4379054307937622 } }, { "source": "CID:4878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "PP-2-fostamatinib similarity", "source_label": "PP-2", "target_label": "fostamatinib", "cosine_similarity": 0.5656342506408691 } }, { "source": "CID:54197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361202", "properties": { "id": "ceftazidime-cefuroxime similarity", "source_label": "ceftazidime", "target_label": "cefuroxime", "cosine_similarity": 0.2553332448005676 } }, { "source": "CID:137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66265", "properties": { "id": "aminolevulinic-acid-dexfenfluramine similarity", "source_label": "aminolevulinic-acid", "target_label": "dexfenfluramine", "cosine_similarity": 0.4854194819927215 } }, { "source": "CID:56599293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "AZD-3463-ceritinib similarity", "source_label": "AZD-3463", "target_label": "ceritinib", "cosine_similarity": 0.4819169044494629 } }, { "source": "CID:5011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "quipazine-lenalidomide similarity", "source_label": "quipazine", "target_label": "lenalidomide", "cosine_similarity": 0.308645635843277 } }, { "source": "CID:129009888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57946", "properties": { "id": "ursodiol-tenidap similarity", "source_label": "ursodiol", "target_label": "tenidap", "cosine_similarity": 0.3997173607349396 } }, { "source": "CID:104956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "SKF-96365-NMS-1286937 similarity", "source_label": "SKF-96365", "target_label": "NMS-1286937", "cosine_similarity": 0.6427356004714966 } }, { "source": "CID:441328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "7-aminocephalosporanic-acid-terbinafine similarity", "source_label": "7-aminocephalosporanic-acid", "target_label": "terbinafine", "cosine_similarity": 0.2199525982141494 } }, { "source": "CID:10621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "hesperidin-flavoxate similarity", "source_label": "hesperidin", "target_label": "flavoxate", "cosine_similarity": 0.324119508266449 } }, { "source": "CID:49766549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49766518", "properties": { "id": "TL-HRAS-27-TL-HRAS-24 similarity", "source_label": "TL-HRAS-27", "target_label": "TL-HRAS-24", "cosine_similarity": 0.2440519779920578 } }, { "source": "CID:127894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "LY-215490-roquinimex similarity", "source_label": "LY-215490", "target_label": "roquinimex", "cosine_similarity": 0.5083678960800171 } }, { "source": "CID:2953683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "MW-STK33-3B-prima-1-met similarity", "source_label": "MW-STK33-3B", "target_label": "prima-1-met", "cosine_similarity": 0.1894809901714325 } }, { "source": "CID:6918140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "MRE-269-PP-110 similarity", "source_label": "MRE-269", "target_label": "PP-110", "cosine_similarity": 0.2672669291496277 } }, { "source": "CID:44593869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "KU-C103884-T-5345967 similarity", "source_label": "KU-C103884", "target_label": "T-5345967", "cosine_similarity": 0.2625921964645386 } }, { "source": "CID:73707499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3741", "properties": { "id": "paromomycin-ioversol similarity", "source_label": "paromomycin", "target_label": "ioversol", "cosine_similarity": 0.2668566107749939 } }, { "source": "CID:6713958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3394", "properties": { "id": "vitexin-flurbiprofen similarity", "source_label": "vitexin", "target_label": "flurbiprofen", "cosine_similarity": 0.2872321009635925 } }, { "source": "CID:91896203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "ST-4070169-auranofin similarity", "source_label": "ST-4070169", "target_label": "auranofin", "cosine_similarity": 0.2679762840270996 } }, { "source": "CID:6708636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3646", "properties": { "id": "dihydrodeoxygedunin-hydrocotarnine similarity", "source_label": "dihydrodeoxygedunin", "target_label": "hydrocotarnine", "cosine_similarity": 0.2300628125667572 } }, { "source": "CID:21700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "beclomethasone-dipropionate-clobetasol similarity", "source_label": "beclomethasone-dipropionate", "target_label": "clobetasol", "cosine_similarity": 0.7369663119316101 } }, { "source": "CID:5311181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6436393", "properties": { "id": "iloprost-carbacyclin similarity", "source_label": "iloprost", "target_label": "carbacyclin", "cosine_similarity": 0.2813335657119751 } }, { "source": "CID:121928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "amiprilose-mirtazapine similarity", "source_label": "amiprilose", "target_label": "mirtazapine", "cosine_similarity": 0.2940190136432647 } }, { "source": "CID:2381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "biperiden-KIN001-242 similarity", "source_label": "biperiden", "target_label": "KIN001-242", "cosine_similarity": 0.3381028175354004 } }, { "source": "CID:25124826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54686939", "properties": { "id": "PSB-06126-dihydrorobustic-acid similarity", "source_label": "PSB-06126", "target_label": "dihydrorobustic-acid", "cosine_similarity": 0.2890970408916473 } }, { "source": "CID:456214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604931", "properties": { "id": "purvalanol-a-aminopurvalanol-a similarity", "source_label": "purvalanol-a", "target_label": "aminopurvalanol-a", "cosine_similarity": 0.4642813205718994 } }, { "source": "CID:54654429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654437", "properties": { "id": "SA-1472655-SA-1472734 similarity", "source_label": "SA-1472655", "target_label": "SA-1472734", "cosine_similarity": 0.4102038443088531 } }, { "source": "CID:2733529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448013", "properties": { "id": "baccatin-III-epothilone similarity", "source_label": "baccatin-III", "target_label": "epothilone", "cosine_similarity": 0.314359039068222 } }, { "source": "CID:5074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "ritanserin-cortisone similarity", "source_label": "ritanserin", "target_label": "cortisone", "cosine_similarity": 0.2718547284603119 } }, { "source": "CID:44607530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "WZ-4002-afatinib similarity", "source_label": "WZ-4002", "target_label": "afatinib", "cosine_similarity": 0.425775408744812 } }, { "source": "CID:445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46695", "properties": { "id": "glucosamine-salsoline similarity", "source_label": "glucosamine", "target_label": "salsoline", "cosine_similarity": 0.2832805812358856 } }, { "source": "CID:821257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "RAN-14A-CGS-21680 similarity", "source_label": "RAN-14A", "target_label": "CGS-21680", "cosine_similarity": 0.3264217972755432 } }, { "source": "CID:23725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "psoromic-acid-gramine similarity", "source_label": "psoromic-acid", "target_label": "gramine", "cosine_similarity": 0.2746189534664154 } }, { "source": "CID:3108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7427", "properties": { "id": "dipyridamole-trehalose similarity", "source_label": "dipyridamole", "target_label": "trehalose", "cosine_similarity": 0.5230194330215454 } }, { "source": "CID:44504326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185223", "properties": { "id": "SA-103013-SA-1939079 similarity", "source_label": "SA-103013", "target_label": "SA-1939079", "cosine_similarity": 0.3514516949653625 } }, { "source": "CID:2743956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483355", "properties": { "id": "SPB02137-embelin similarity", "source_label": "SPB02137", "target_label": "embelin", "cosine_similarity": 0.3157709240913391 } }, { "source": "CID:4939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7534", "properties": { "id": "propidium-eucatropine similarity", "source_label": "propidium", "target_label": "eucatropine", "cosine_similarity": 0.2599484622478485 } }, { "source": "CID:6613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46883536", "properties": { "id": "pantothenic-acid-avagacestat similarity", "source_label": "pantothenic-acid", "target_label": "avagacestat", "cosine_similarity": 0.1812146604061126 } }, { "source": "CID:5574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "alimemazine-STA-5326 similarity", "source_label": "alimemazine", "target_label": "STA-5326", "cosine_similarity": 0.4784058630466461 } }, { "source": "CID:16739244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "lersivirine-roquinimex similarity", "source_label": "lersivirine", "target_label": "roquinimex", "cosine_similarity": 0.6706418991088867 } }, { "source": "CID:4098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "methapyrilene-VER-155008 similarity", "source_label": "methapyrilene", "target_label": "VER-155008", "cosine_similarity": 0.3086694478988647 } }, { "source": "CID:23846564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603", "properties": { "id": "butirosin-pempidine similarity", "source_label": "butirosin", "target_label": "pempidine", "cosine_similarity": 0.2080810666084289 } }, { "source": "CID:77918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "1-benzylimidazole-5-methoxytryptamine similarity", "source_label": "1-benzylimidazole", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.2809334695339203 } }, { "source": "CID:54614567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-441181-SA-84905 similarity", "source_label": "SA-441181", "target_label": "SA-84905", "cosine_similarity": 0.3763538897037506 } }, { "source": "CID:213039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "darunavir-probucol similarity", "source_label": "darunavir", "target_label": "probucol", "cosine_similarity": 0.4031786620616913 } }, { "source": "CID:54654437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654429", "properties": { "id": "SA-1472734-SA-1472655 similarity", "source_label": "SA-1472734", "target_label": "SA-1472655", "cosine_similarity": 0.4102038443088531 } }, { "source": "CID:54657953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506644", "properties": { "id": "SA-1456195-SA-247508 similarity", "source_label": "SA-1456195", "target_label": "SA-247508", "cosine_similarity": 0.3485687971115112 } }, { "source": "CID:133017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "rupatadine-lasalocid similarity", "source_label": "rupatadine", "target_label": "lasalocid", "cosine_similarity": 0.7216048240661621 } }, { "source": "CID:24788740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "GDC-0068-taselisib similarity", "source_label": "GDC-0068", "target_label": "taselisib", "cosine_similarity": 0.6486289501190186 } }, { "source": "CID:58573469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "AMG-232-nutlin-3 similarity", "source_label": "AMG-232", "target_label": "nutlin-3", "cosine_similarity": 0.661383330821991 } }, { "source": "CID:7073234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "catharanthine-SA-427228 similarity", "source_label": "catharanthine", "target_label": "SA-427228", "cosine_similarity": 0.1806909143924713 } }, { "source": "CID:3463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "gemfibrozil-topiramate similarity", "source_label": "gemfibrozil", "target_label": "topiramate", "cosine_similarity": 0.5046936869621277 } }, { "source": "CID:9939609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "darapladib-STA-5326 similarity", "source_label": "darapladib", "target_label": "STA-5326", "cosine_similarity": 0.2921547293663025 } }, { "source": "CID:2062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:656665", "properties": { "id": "tyrphostin-tropisetron similarity", "source_label": "tyrphostin", "target_label": "tropisetron", "cosine_similarity": 0.2618263661861419 } }, { "source": "CID:54657732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657705", "properties": { "id": "SA-1458985-SA-1459172 similarity", "source_label": "SA-1458985", "target_label": "SA-1459172", "cosine_similarity": 0.2545711100101471 } }, { "source": "CID:54682040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33887", "properties": { "id": "BMS-707035-almitrine similarity", "source_label": "BMS-707035", "target_label": "almitrine", "cosine_similarity": 0.3839685618877411 } }, { "source": "CID:11338033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "AT-7519-CGP-60474 similarity", "source_label": "AT-7519", "target_label": "CGP-60474", "cosine_similarity": 0.6473368406295776 } }, { "source": "CID:44510971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "brucine-FTI-276 similarity", "source_label": "brucine", "target_label": "FTI-276", "cosine_similarity": 0.3407693803310394 } }, { "source": "CID:446284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "icosapent-sulforaphane similarity", "source_label": "icosapent", "target_label": "sulforaphane", "cosine_similarity": 0.2358209788799286 } }, { "source": "CID:9957280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "NNC-55-0396-RS-17053 similarity", "source_label": "NNC-55-0396", "target_label": "RS-17053", "cosine_similarity": 0.7656335234642029 } }, { "source": "CID:11493598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "FR-180204-resveratrol similarity", "source_label": "FR-180204", "target_label": "resveratrol", "cosine_similarity": 0.375053346157074 } }, { "source": "CID:2722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "chloroxine-bithionol similarity", "source_label": "chloroxine", "target_label": "bithionol", "cosine_similarity": 0.3869319856166839 } }, { "source": "CID:33887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682040", "properties": { "id": "almitrine-BMS-707035 similarity", "source_label": "almitrine", "target_label": "BMS-707035", "cosine_similarity": 0.3839685618877411 } }, { "source": "CID:44601476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "KU-C103904N-GR-127935 similarity", "source_label": "KU-C103904N", "target_label": "GR-127935", "cosine_similarity": 0.2937119901180267 } }, { "source": "CID:2689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65599", "properties": { "id": "CGS-12066B-lomifylline similarity", "source_label": "CGS-12066B", "target_label": "lomifylline", "cosine_similarity": 0.2667824923992157 } }, { "source": "CID:702558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "RG-108-sparfosic-acid similarity", "source_label": "RG-108", "target_label": "sparfosic-acid", "cosine_similarity": 0.426148772239685 } }, { "source": "CID:5280335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "sphingosine-STK-397047 similarity", "source_label": "sphingosine", "target_label": "STK-397047", "cosine_similarity": 0.2276535630226135 } }, { "source": "CID:125312786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24880028", "properties": { "id": "KIN001-244-ALW-II-38-3 similarity", "source_label": "KIN001-244", "target_label": "ALW-II-38-3", "cosine_similarity": 0.3935506343841553 } }, { "source": "CID:5186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "scriptaid-PCI-24781 similarity", "source_label": "scriptaid", "target_label": "PCI-24781", "cosine_similarity": 0.8190389275550842 } }, { "source": "CID:5505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:636403", "properties": { "id": "tolbutamide-carbenoxolone similarity", "source_label": "tolbutamide", "target_label": "carbenoxolone", "cosine_similarity": 0.3502370715141296 } }, { "source": "CID:449193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "roflumilast-lamotrigine similarity", "source_label": "roflumilast", "target_label": "lamotrigine", "cosine_similarity": 0.4522593021392822 } }, { "source": "CID:9615346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "cefepime-lorazepam similarity", "source_label": "cefepime", "target_label": "lorazepam", "cosine_similarity": 0.4638614356517792 } }, { "source": "CID:54657741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "SA-1456039-CV-1808 similarity", "source_label": "SA-1456039", "target_label": "CV-1808", "cosine_similarity": 0.2231979966163635 } }, { "source": "CID:68712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "rilmenidine-roquinimex similarity", "source_label": "rilmenidine", "target_label": "roquinimex", "cosine_similarity": 0.4412239193916321 } }, { "source": "CID:9571107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "gemifloxacin-reboxetine similarity", "source_label": "gemifloxacin", "target_label": "reboxetine", "cosine_similarity": 0.4951149523258209 } }, { "source": "CID:686211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "KU-C104126N-cholic-acid similarity", "source_label": "KU-C104126N", "target_label": "cholic-acid", "cosine_similarity": 0.2562605440616607 } }, { "source": "CID:72200818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167551", "properties": { "id": "GSK-J1-anacardic-acid similarity", "source_label": "GSK-J1", "target_label": "anacardic-acid", "cosine_similarity": 0.4776465892791748 } }, { "source": "CID:27559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "PNU-22394-PT-630 similarity", "source_label": "PNU-22394", "target_label": "PT-630", "cosine_similarity": 0.3012707233428955 } }, { "source": "CID:4122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "nocodazole-chelidonine similarity", "source_label": "nocodazole", "target_label": "chelidonine", "cosine_similarity": 0.8431870937347412 } }, { "source": "CID:156422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "doramapimod-losmapimod similarity", "source_label": "doramapimod", "target_label": "losmapimod", "cosine_similarity": 0.4240379631519317 } }, { "source": "CID:54666596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1920453-SA-419050 similarity", "source_label": "SA-1920453", "target_label": "SA-419050", "cosine_similarity": 0.2744846045970917 } }, { "source": "CID:2531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "calmidazolium-niclosamide similarity", "source_label": "calmidazolium", "target_label": "niclosamide", "cosine_similarity": 0.6090126037597656 } }, { "source": "CID:53025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "cefotetan-swainsonine similarity", "source_label": "cefotetan", "target_label": "swainsonine", "cosine_similarity": 0.2940654754638672 } }, { "source": "CID:54658318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-1457188-SA-1459213 similarity", "source_label": "SA-1457188", "target_label": "SA-1459213", "cosine_similarity": 0.5543072819709778 } }, { "source": "CID:137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "aminolevulinic-acid-cianidanol similarity", "source_label": "aminolevulinic-acid", "target_label": "cianidanol", "cosine_similarity": 0.4042377173900604 } }, { "source": "CID:10783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49848070", "properties": { "id": "clomethiazole-taladegib similarity", "source_label": "clomethiazole", "target_label": "taladegib", "cosine_similarity": 0.3463247716426849 } }, { "source": "CID:10377751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "AS-605240-selumetinib similarity", "source_label": "AS-605240", "target_label": "selumetinib", "cosine_similarity": 0.5538083910942078 } }, { "source": "CID:1776583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "JAS07-006-L-ergothioneine similarity", "source_label": "JAS07-006", "target_label": "L-ergothioneine", "cosine_similarity": 0.6476378440856934 } }, { "source": "CID:4212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "mitoxantrone-triptolide similarity", "source_label": "mitoxantrone", "target_label": "triptolide", "cosine_similarity": 0.6442207098007202 } }, { "source": "CID:6603827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3185", "properties": { "id": "N20C-E-4031 similarity", "source_label": "N20C", "target_label": "E-4031", "cosine_similarity": 0.2302781790494918 } }, { "source": "CID:1049140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:821257", "properties": { "id": "ST-4042556-RAN-14A similarity", "source_label": "ST-4042556", "target_label": "RAN-14A", "cosine_similarity": 0.277739554643631 } }, { "source": "CID:5284583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9875401", "properties": { "id": "levetiracetam-rivaroxaban similarity", "source_label": "levetiracetam", "target_label": "rivaroxaban", "cosine_similarity": 0.4487732350826263 } }, { "source": "CID:4879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "PP-3-DAC-009 similarity", "source_label": "PP-3", "target_label": "DAC-009", "cosine_similarity": 0.1988105475902557 } }, { "source": "CID:107641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159269", "properties": { "id": "indobufen-telbivudine similarity", "source_label": "indobufen", "target_label": "telbivudine", "cosine_similarity": 0.3656519651412964 } }, { "source": "CID:4364841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "L-165041-MW-MITF22 similarity", "source_label": "L-165041", "target_label": "MW-MITF22", "cosine_similarity": 0.2997196912765503 } }, { "source": "CID:9810884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42628535", "properties": { "id": "Y-39983-XMD-1185H similarity", "source_label": "Y-39983", "target_label": "XMD-1185H", "cosine_similarity": 0.3695138394832611 } }, { "source": "CID:5145950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "RS-39604-FIT similarity", "source_label": "RS-39604", "target_label": "FIT", "cosine_similarity": 0.5751015543937683 } }, { "source": "CID:5311452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2775510", "properties": { "id": "SR-59230A-wiskostatin similarity", "source_label": "SR-59230A", "target_label": "wiskostatin", "cosine_similarity": 0.3344900906085968 } }, { "source": "CID:3374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "flumequine-T-0156 similarity", "source_label": "flumequine", "target_label": "T-0156", "cosine_similarity": 0.2875531017780304 } }, { "source": "CID:24978538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "navitoclax-NU-1025 similarity", "source_label": "navitoclax", "target_label": "NU-1025", "cosine_similarity": 0.4758278727531433 } }, { "source": "CID:1464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "bisbenzimide-triptolide similarity", "source_label": "bisbenzimide", "target_label": "triptolide", "cosine_similarity": 0.326473206281662 } }, { "source": "CID:132862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "targinine-ripasudil similarity", "source_label": "targinine", "target_label": "ripasudil", "cosine_similarity": 0.3353711366653442 } }, { "source": "CID:5078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "rizatriptan-lenalidomide similarity", "source_label": "rizatriptan", "target_label": "lenalidomide", "cosine_similarity": 0.3758157789707184 } }, { "source": "CID:2562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "pentoxyverine-SA-244358 similarity", "source_label": "pentoxyverine", "target_label": "SA-244358", "cosine_similarity": 0.3816169500350952 } }, { "source": "CID:2929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "indibulin-KX-2391 similarity", "source_label": "indibulin", "target_label": "KX-2391", "cosine_similarity": 0.7891090512275696 } }, { "source": "CID:6610353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "staurosporine-CGP-60474 similarity", "source_label": "staurosporine", "target_label": "CGP-60474", "cosine_similarity": 0.5872204303741455 } }, { "source": "CID:70680401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "MW-SHH-250-zebularine similarity", "source_label": "MW-SHH-250", "target_label": "zebularine", "cosine_similarity": 0.2878058850765228 } }, { "source": "CID:656717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46861623", "properties": { "id": "IAA-94-AZD-9668 similarity", "source_label": "IAA-94", "target_label": "AZD-9668", "cosine_similarity": 0.1930121332406997 } }, { "source": "CID:9888030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "NNC-05-2090-tetrandrine similarity", "source_label": "NNC-05-2090", "target_label": "tetrandrine", "cosine_similarity": 0.4233035743236542 } }, { "source": "CID:4770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "phenprobamate-ARG-CSC-81 similarity", "source_label": "phenprobamate", "target_label": "ARG-CSC-81", "cosine_similarity": 0.2554312348365783 } }, { "source": "CID:1894361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "AMN-082-evoxine similarity", "source_label": "AMN-082", "target_label": "evoxine", "cosine_similarity": 0.2092338800430297 } }, { "source": "CID:244898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1544274", "properties": { "id": "lumicolchicine-EMF-sumo1-4 similarity", "source_label": "lumicolchicine", "target_label": "EMF-sumo1-4", "cosine_similarity": 0.2379366159439087 } }, { "source": "CID:9903786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "TPCA-1-HG-6-64-01 similarity", "source_label": "TPCA-1", "target_label": "HG-6-64-01", "cosine_similarity": 0.614942193031311 } }, { "source": "CID:9860529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "NU-7026-diazoxide similarity", "source_label": "NU-7026", "target_label": "diazoxide", "cosine_similarity": 0.4306523203849792 } }, { "source": "CID:2151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15547703", "properties": { "id": "ampyrone-tosedostat similarity", "source_label": "ampyrone", "target_label": "tosedostat", "cosine_similarity": 0.1597473174333572 } }, { "source": "CID:44498557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488016", "properties": { "id": "SA-418993-SA-94315 similarity", "source_label": "SA-418993", "target_label": "SA-94315", "cosine_similarity": 0.2446568012237548 } }, { "source": "CID:5042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "rebamipide-setiptiline similarity", "source_label": "rebamipide", "target_label": "setiptiline", "cosine_similarity": 0.5011376142501831 } }, { "source": "CID:656731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:363863", "properties": { "id": "chromanol-maackiain similarity", "source_label": "chromanol", "target_label": "maackiain", "cosine_similarity": 0.2902189493179321 } }, { "source": "CID:11455910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "TW-37-VU-0410183-2 similarity", "source_label": "TW-37", "target_label": "VU-0410183-2", "cosine_similarity": 0.8212208151817322 } }, { "source": "CID:3037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "dichlorophen-dipyrocetyl similarity", "source_label": "dichlorophen", "target_label": "dipyrocetyl", "cosine_similarity": 0.5621079206466675 } }, { "source": "CID:54666568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "SA-1919584-PP-2 similarity", "source_label": "SA-1919584", "target_label": "PP-2", "cosine_similarity": 0.2476854622364044 } }, { "source": "CID:5323714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "furazolidone-dipyrocetyl similarity", "source_label": "furazolidone", "target_label": "dipyrocetyl", "cosine_similarity": 0.5672793388366699 } }, { "source": "CID:122077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "SR-27897-gimeracil similarity", "source_label": "SR-27897", "target_label": "gimeracil", "cosine_similarity": 0.4847715497016907 } }, { "source": "CID:2794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "clofazimine-hexachlorophene similarity", "source_label": "clofazimine", "target_label": "hexachlorophene", "cosine_similarity": 0.3383071422576904 } }, { "source": "CID:73707536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "BG-1007-ISOX similarity", "source_label": "BG-1007", "target_label": "ISOX", "cosine_similarity": 0.510392427444458 } }, { "source": "CID:2691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "CGS-21680-temozolomide similarity", "source_label": "CGS-21680", "target_label": "temozolomide", "cosine_similarity": 0.5065031051635742 } }, { "source": "CID:9910224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "zibotentan-levosulpiride similarity", "source_label": "zibotentan", "target_label": "levosulpiride", "cosine_similarity": 0.2817457318305969 } }, { "source": "CID:24798764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "VX-222-methimazole similarity", "source_label": "VX-222", "target_label": "methimazole", "cosine_similarity": 0.3720662891864776 } }, { "source": "CID:6710659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "fludrocortisone-acetate-halcinonide similarity", "source_label": "fludrocortisone-acetate", "target_label": "halcinonide", "cosine_similarity": 0.3370002806186676 } }, { "source": "CID:5517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "tosufloxacin-myricetin similarity", "source_label": "tosufloxacin", "target_label": "myricetin", "cosine_similarity": 0.2891185283660888 } }, { "source": "CID:14182642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12801781", "properties": { "id": "propanoic-acid-imipenem similarity", "source_label": "propanoic-acid", "target_label": "imipenem", "cosine_similarity": 0.196853369474411 } }, { "source": "CID:5324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658844", "properties": { "id": "sulfaguanidine-SA-1457992 similarity", "source_label": "sulfaguanidine", "target_label": "SA-1457992", "cosine_similarity": 0.2129458039999008 } }, { "source": "CID:122327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:643951", "properties": { "id": "CI-976-necrostatin-1 similarity", "source_label": "CI-976", "target_label": "necrostatin-1", "cosine_similarity": 0.3494701981544494 } }, { "source": "CID:4238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "molsidomine-gliclazide similarity", "source_label": "molsidomine", "target_label": "gliclazide", "cosine_similarity": 0.8044977188110352 } }, { "source": "CID:984170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "CCT-018159-NVP-AUY922 similarity", "source_label": "CCT-018159", "target_label": "NVP-AUY922", "cosine_similarity": 0.6308628916740417 } }, { "source": "CID:151194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640177", "properties": { "id": "vatalanib-KU-C104491 similarity", "source_label": "vatalanib", "target_label": "KU-C104491", "cosine_similarity": 0.2130218744277954 } }, { "source": "CID:44601455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "WT-171-scriptaid similarity", "source_label": "WT-171", "target_label": "scriptaid", "cosine_similarity": 0.7523329257965088 } }, { "source": "CID:60185223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-1939079-SA-103013 similarity", "source_label": "SA-1939079", "target_label": "SA-103013", "cosine_similarity": 0.3514516949653625 } }, { "source": "CID:5281894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "NSC-94258-NM-PP1 similarity", "source_label": "NSC-94258", "target_label": "NM-PP1", "cosine_similarity": 0.2097399085760116 } }, { "source": "CID:4723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "pemoline-lorazepam similarity", "source_label": "pemoline", "target_label": "lorazepam", "cosine_similarity": 0.3393176198005676 } }, { "source": "CID:2196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "aniracetam-disopyramide similarity", "source_label": "aniracetam", "target_label": "disopyramide", "cosine_similarity": 0.3793155252933502 } }, { "source": "CID:9417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "opipramol-rimcazole similarity", "source_label": "opipramol", "target_label": "rimcazole", "cosine_similarity": 0.2335944175720214 } }, { "source": "CID:4331799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3854666", "properties": { "id": "SB-408124-SB-225002 similarity", "source_label": "SB-408124", "target_label": "SB-225002", "cosine_similarity": 0.1983233541250229 } }, { "source": "CID:5419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "tetryzoline-gossypin similarity", "source_label": "tetryzoline", "target_label": "gossypin", "cosine_similarity": 0.2914481163024902 } }, { "source": "CID:46943258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "VU-0424206-1-FTI-276 similarity", "source_label": "VU-0424206-1", "target_label": "FTI-276", "cosine_similarity": 0.2789243459701538 } }, { "source": "CID:4020240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "sericetin-AICA-ribonucleotide similarity", "source_label": "sericetin", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.26669642329216 } }, { "source": "CID:5379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "gatifloxacin-levosulpiride similarity", "source_label": "gatifloxacin", "target_label": "levosulpiride", "cosine_similarity": 0.5006646513938904 } }, { "source": "CID:8357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "eudesmic-acid-chloroxylenol similarity", "source_label": "eudesmic-acid", "target_label": "chloroxylenol", "cosine_similarity": 0.3422612249851227 } }, { "source": "CID:4574540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167551", "properties": { "id": "IRL-2500-anacardic-acid similarity", "source_label": "IRL-2500", "target_label": "anacardic-acid", "cosine_similarity": 0.2784930169582367 } }, { "source": "CID:54666590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666542", "properties": { "id": "SA-1922959-SA-1922006 similarity", "source_label": "SA-1922959", "target_label": "SA-1922006", "cosine_similarity": 0.2948341369628906 } }, { "source": "CID:9820008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "SC-12267-etomidate similarity", "source_label": "SC-12267", "target_label": "etomidate", "cosine_similarity": 0.2906502187252044 } }, { "source": "CID:6328608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "abacavir-ripasudil similarity", "source_label": "abacavir", "target_label": "ripasudil", "cosine_similarity": 0.3445745706558227 } }, { "source": "CID:4764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "phenolphthalein-tetrahydrouridine similarity", "source_label": "phenolphthalein", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4799812138080597 } }, { "source": "CID:9967941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:447966", "properties": { "id": "SB-525334-LY-364947 similarity", "source_label": "SB-525334", "target_label": "LY-364947", "cosine_similarity": 0.4140298068523407 } }, { "source": "CID:1549120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071166", "properties": { "id": "epalrestat-DCPIB similarity", "source_label": "epalrestat", "target_label": "DCPIB", "cosine_similarity": 0.2506636381149292 } }, { "source": "CID:2907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4021", "properties": { "id": "cyclophosphamide-edaravone similarity", "source_label": "cyclophosphamide", "target_label": "edaravone", "cosine_similarity": 0.4114008843898773 } }, { "source": "CID:2747117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "BI-78D3-NSC-95397 similarity", "source_label": "BI-78D3", "target_label": "NSC-95397", "cosine_similarity": 0.3947139978408813 } }, { "source": "CID:27200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11292680", "properties": { "id": "thiamphenicol-ARP-101 similarity", "source_label": "thiamphenicol", "target_label": "ARP-101", "cosine_similarity": 0.1758858561515808 } }, { "source": "CID:107982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "dihydrocapsaicin-pifithrin-mu similarity", "source_label": "dihydrocapsaicin", "target_label": "pifithrin-mu", "cosine_similarity": 0.2681377232074737 } }, { "source": "CID:3220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "emodin-vemurafenib similarity", "source_label": "emodin", "target_label": "vemurafenib", "cosine_similarity": 0.325235366821289 } }, { "source": "CID:5281071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "olopatadine-APO-866 similarity", "source_label": "olopatadine", "target_label": "APO-866", "cosine_similarity": 0.2575081288814544 } }, { "source": "CID:9826308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "GW-843682X-NMS-1286937 similarity", "source_label": "GW-843682X", "target_label": "NMS-1286937", "cosine_similarity": 0.5841555595397949 } }, { "source": "CID:10125107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "lawsone-dichlorophen similarity", "source_label": "lawsone", "target_label": "dichlorophen", "cosine_similarity": 0.2317783236503601 } }, { "source": "CID:54656566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654609", "properties": { "id": "SA-1473405-SA-1463787 similarity", "source_label": "SA-1473405", "target_label": "SA-1463787", "cosine_similarity": 0.3644689321517944 } }, { "source": "CID:11317348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135400439", "properties": { "id": "KI-8751-KF-38789 similarity", "source_label": "KI-8751", "target_label": "KF-38789", "cosine_similarity": 0.3629034757614136 } }, { "source": "CID:5356121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "flavokavain-b-pifithrin-mu similarity", "source_label": "flavokavain-b", "target_label": "pifithrin-mu", "cosine_similarity": 0.5366955995559692 } }, { "source": "CID:4045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "mefexamide-fumonisin-b1 similarity", "source_label": "mefexamide", "target_label": "fumonisin-b1", "cosine_similarity": 0.2780339121818542 } }, { "source": "CID:115113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3059", "properties": { "id": "L-701324-diflunisal similarity", "source_label": "L-701324", "target_label": "diflunisal", "cosine_similarity": 0.2795153260231018 } }, { "source": "CID:16667695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "selamectin-ABT-737 similarity", "source_label": "selamectin", "target_label": "ABT-737", "cosine_similarity": 0.3386473357677459 } }, { "source": "CID:44483265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "solanine-phenothiazine similarity", "source_label": "solanine", "target_label": "phenothiazine", "cosine_similarity": 0.305260419845581 } }, { "source": "CID:72390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:158781", "properties": { "id": "thiazolidinecarboxylic-acid-olmesartan similarity", "source_label": "thiazolidinecarboxylic-acid", "target_label": "olmesartan", "cosine_similarity": 0.3046741783618927 } }, { "source": "CID:3077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4628", "properties": { "id": "dimaprit-oxolinic-acid similarity", "source_label": "dimaprit", "target_label": "oxolinic-acid", "cosine_similarity": 0.2293765544891357 } }, { "source": "CID:6918509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "BIBN-4096-azathioprine similarity", "source_label": "BIBN-4096", "target_label": "azathioprine", "cosine_similarity": 0.2593740820884704 } }, { "source": "CID:54654613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-1463838-SA-1456625 similarity", "source_label": "SA-1463838", "target_label": "SA-1456625", "cosine_similarity": 0.4469239413738251 } }, { "source": "CID:2868392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "NECA-meloxicam similarity", "source_label": "NECA", "target_label": "meloxicam", "cosine_similarity": 0.2998794317245483 } }, { "source": "CID:49849932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "DM-163-SAL-1 similarity", "source_label": "DM-163", "target_label": "SAL-1", "cosine_similarity": 0.2988840639591217 } }, { "source": "CID:23846563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "helveticoside-digitoxigenin similarity", "source_label": "helveticoside", "target_label": "digitoxigenin", "cosine_similarity": 0.7648885250091553 } }, { "source": "CID:5353842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "OBAA-selinidin similarity", "source_label": "OBAA", "target_label": "selinidin", "cosine_similarity": 0.3134823441505432 } }, { "source": "CID:46926350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "dinaciclib-CGP-60474 similarity", "source_label": "dinaciclib", "target_label": "CGP-60474", "cosine_similarity": 0.8361461758613586 } }, { "source": "CID:119570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "pramipexole-CO-102862 similarity", "source_label": "pramipexole", "target_label": "CO-102862", "cosine_similarity": 0.3593206405639648 } }, { "source": "CID:3906779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "Ro-106-9920-BCI-hydrochloride similarity", "source_label": "Ro-106-9920", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.4964151680469513 } }, { "source": "CID:131906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "S-14506-ZM-336372 similarity", "source_label": "S-14506", "target_label": "ZM-336372", "cosine_similarity": 0.2516396045684814 } }, { "source": "CID:5278396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16117018", "properties": { "id": "KU-55933-KU-60019 similarity", "source_label": "KU-55933", "target_label": "KU-60019", "cosine_similarity": 0.4171377122402191 } }, { "source": "CID:25195348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "VER-155008-fumonisin-b1 similarity", "source_label": "VER-155008", "target_label": "fumonisin-b1", "cosine_similarity": 0.5217483639717102 } }, { "source": "CID:23351218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "radicicol-NVP-AUY922 similarity", "source_label": "radicicol", "target_label": "NVP-AUY922", "cosine_similarity": 0.7521437406539917 } }, { "source": "CID:353825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "graveoline-gabexate similarity", "source_label": "graveoline", "target_label": "gabexate", "cosine_similarity": 0.2612993717193603 } }, { "source": "CID:107780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "GR-127935-dichlorobenzamil similarity", "source_label": "GR-127935", "target_label": "dichlorobenzamil", "cosine_similarity": 0.661135196685791 } }, { "source": "CID:46233311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45115620", "properties": { "id": "GSK-0660-VU-0413807-2 similarity", "source_label": "GSK-0660", "target_label": "VU-0413807-2", "cosine_similarity": 0.2714266777038574 } }, { "source": "CID:6610344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "forskolin-PP-2 similarity", "source_label": "forskolin", "target_label": "PP-2", "cosine_similarity": 0.3711091876029968 } }, { "source": "CID:56971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "ipsapirone-PSH-028 similarity", "source_label": "ipsapirone", "target_label": "PSH-028", "cosine_similarity": 0.2894060611724853 } }, { "source": "CID:23418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "ormetoprim-Gly-Gly-PALO similarity", "source_label": "ormetoprim", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.1945278942584991 } }, { "source": "CID:44616591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654330", "properties": { "id": "SA-427069-SA-1463814 similarity", "source_label": "SA-427069", "target_label": "SA-1463814", "cosine_similarity": 0.3782041370868683 } }, { "source": "CID:23236067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "flunisolide-dexamethasone similarity", "source_label": "flunisolide", "target_label": "dexamethasone", "cosine_similarity": 0.5084286332130432 } }, { "source": "CID:2933863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "KU-C103875-AT-CSC-18 similarity", "source_label": "KU-C103875", "target_label": "AT-CSC-18", "cosine_similarity": 0.2547329068183899 } }, { "source": "CID:6473767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "picrotoxin-zebularine similarity", "source_label": "picrotoxin", "target_label": "zebularine", "cosine_similarity": 0.2597920894622803 } }, { "source": "CID:11351021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "CYT-997-dolastatin-10 similarity", "source_label": "CYT-997", "target_label": "dolastatin-10", "cosine_similarity": 0.8289084434509277 } }, { "source": "CID:18755269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "SDZ-WAG-994-lorazepam similarity", "source_label": "SDZ-WAG-994", "target_label": "lorazepam", "cosine_similarity": 0.2387585788965225 } }, { "source": "CID:11749858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "PCI-24781-JNJ-26481585 similarity", "source_label": "PCI-24781", "target_label": "JNJ-26481585", "cosine_similarity": 0.889383852481842 } }, { "source": "CID:60186978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485243", "properties": { "id": "SA-1938219-SA-85290 similarity", "source_label": "SA-1938219", "target_label": "SA-85290", "cosine_similarity": 0.4889496564865112 } }, { "source": "CID:5944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "cantharidin-SA-89763 similarity", "source_label": "cantharidin", "target_label": "SA-89763", "cosine_similarity": 0.3092292249202728 } }, { "source": "CID:60825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:30668", "properties": { "id": "lamivudine-lofexidine similarity", "source_label": "lamivudine", "target_label": "lofexidine", "cosine_similarity": 0.4958651959896087 } }, { "source": "CID:73707514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666542", "properties": { "id": "atractyloside-SA-1922006 similarity", "source_label": "atractyloside", "target_label": "SA-1922006", "cosine_similarity": 0.2331255972385406 } }, { "source": "CID:42623900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:454217", "properties": { "id": "QS-11-prostratin similarity", "source_label": "QS-11", "target_label": "prostratin", "cosine_similarity": 0.4745312929153442 } }, { "source": "CID:9840324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "etomoxir-AM-580 similarity", "source_label": "etomoxir", "target_label": "AM-580", "cosine_similarity": 0.344727486371994 } }, { "source": "CID:5282367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688561", "properties": { "id": "menatetrenone-procaterol similarity", "source_label": "menatetrenone", "target_label": "procaterol", "cosine_similarity": 0.1505900472402572 } }, { "source": "CID:6803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1537", "properties": { "id": "tioguanine-thioguanine similarity", "source_label": "tioguanine", "target_label": "thioguanine", "cosine_similarity": 0.7370385527610779 } }, { "source": "CID:790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44199317", "properties": { "id": "hypoxanthine-AZD-2461 similarity", "source_label": "hypoxanthine", "target_label": "AZD-2461", "cosine_similarity": 0.4099868535995483 } }, { "source": "CID:5353853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702063", "properties": { "id": "oxiconazole-guanaben-acetate similarity", "source_label": "oxiconazole", "target_label": "guanaben-acetate", "cosine_similarity": 0.5446271300315857 } }, { "source": "CID:23948194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691868", "properties": { "id": "PATI-1-2-3-ST-4029010 similarity", "source_label": "PATI-1-2-3", "target_label": "ST-4029010", "cosine_similarity": 0.2910249829292297 } }, { "source": "CID:3111211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:686211", "properties": { "id": "ML-213-KU-C104126N similarity", "source_label": "ML-213", "target_label": "KU-C104126N", "cosine_similarity": 0.2386920750141143 } }, { "source": "CID:44607530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1401", "properties": { "id": "WZ-4002-PD-173074 similarity", "source_label": "WZ-4002", "target_label": "PD-173074", "cosine_similarity": 0.4136516153812408 } }, { "source": "CID:133106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "SIB-1508Y-pepstatin similarity", "source_label": "SIB-1508Y", "target_label": "pepstatin", "cosine_similarity": 0.3038863241672516 } }, { "source": "CID:129010090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "ginkgolide-a-tolnaftate similarity", "source_label": "ginkgolide-a", "target_label": "tolnaftate", "cosine_similarity": 0.2230788320302963 } }, { "source": "CID:67278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "phenoxazine-zebularine similarity", "source_label": "phenoxazine", "target_label": "zebularine", "cosine_similarity": 0.4237710833549499 } }, { "source": "CID:122272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "BMS-182874-tirasemtiv similarity", "source_label": "BMS-182874", "target_label": "tirasemtiv", "cosine_similarity": 0.2682255804538727 } }, { "source": "CID:54668813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "SA-1921816-SA-1919345 similarity", "source_label": "SA-1921816", "target_label": "SA-1919345", "cosine_similarity": 0.3739427626132965 } }, { "source": "CID:10096344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39836", "properties": { "id": "linagliptin-L-NAME similarity", "source_label": "linagliptin", "target_label": "L-NAME", "cosine_similarity": 0.3601754307746887 } }, { "source": "CID:4614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "oxaprozin-bucladesine similarity", "source_label": "oxaprozin", "target_label": "bucladesine", "cosine_similarity": 0.4431731104850769 } }, { "source": "CID:2435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "brimonidine-BMS-191011 similarity", "source_label": "brimonidine", "target_label": "BMS-191011", "cosine_similarity": 0.3392001688480377 } }, { "source": "CID:3080554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2196", "properties": { "id": "homoquinolinic-acid-aniracetam similarity", "source_label": "homoquinolinic-acid", "target_label": "aniracetam", "cosine_similarity": 0.24184450507164 } }, { "source": "CID:60511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006141", "properties": { "id": "remacemide-pregnenolone-succinate similarity", "source_label": "remacemide", "target_label": "pregnenolone-succinate", "cosine_similarity": 0.3817373216152191 } }, { "source": "CID:24733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65373", "properties": { "id": "alfadolone-acetate-secoisolariciresinol similarity", "source_label": "alfadolone-acetate", "target_label": "secoisolariciresinol", "cosine_similarity": 0.280312180519104 } }, { "source": "CID:1979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "aceclidine-MW-MITF28 similarity", "source_label": "aceclidine", "target_label": "MW-MITF28", "cosine_similarity": 0.2491006106138229 } }, { "source": "CID:4592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "olomoucine-genipin similarity", "source_label": "olomoucine", "target_label": "genipin", "cosine_similarity": 0.3021931648254394 } }, { "source": "CID:72093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:610479", "properties": { "id": "otilonium-tolfenamic-acid similarity", "source_label": "otilonium", "target_label": "tolfenamic-acid", "cosine_similarity": 0.3695725798606872 } }, { "source": "CID:66558664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44595079", "properties": { "id": "E-7438-PRT-062070 similarity", "source_label": "E-7438", "target_label": "PRT-062070", "cosine_similarity": 0.4342691302299499 } }, { "source": "CID:5037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40469854", "properties": { "id": "ramifenazone-flumethasone similarity", "source_label": "ramifenazone", "target_label": "flumethasone", "cosine_similarity": 0.3310466408729553 } }, { "source": "CID:10077130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "voapaxar-RS-17053 similarity", "source_label": "voapaxar", "target_label": "RS-17053", "cosine_similarity": 0.3188052773475647 } }, { "source": "CID:29243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "tetrahydrouridine-molsidomine similarity", "source_label": "tetrahydrouridine", "target_label": "molsidomine", "cosine_similarity": 0.8113574385643005 } }, { "source": "CID:25102847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "cabozantinib-fostamatinib similarity", "source_label": "cabozantinib", "target_label": "fostamatinib", "cosine_similarity": 0.4722979664802551 } }, { "source": "CID:3913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "tetramisole-DAC-013 similarity", "source_label": "tetramisole", "target_label": "DAC-013", "cosine_similarity": 0.3202429115772247 } }, { "source": "CID:5240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "iodoacetic-acid-CVF-SUMO-11 similarity", "source_label": "iodoacetic-acid", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.648997962474823 } }, { "source": "CID:9846332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "halometasone-clocortolone-pivalate similarity", "source_label": "halometasone", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.3502795994281769 } }, { "source": "CID:5228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "SKF-86002-dexamethasone similarity", "source_label": "SKF-86002", "target_label": "dexamethasone", "cosine_similarity": 0.357258528470993 } }, { "source": "CID:10081070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "butyrolactone-XAV-939 similarity", "source_label": "butyrolactone", "target_label": "XAV-939", "cosine_similarity": 0.3287700712680816 } }, { "source": "CID:2723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "chloroxylenol-pridinol similarity", "source_label": "chloroxylenol", "target_label": "pridinol", "cosine_similarity": 0.511699914932251 } }, { "source": "CID:16678941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "VX-809-levonorgestrel similarity", "source_label": "VX-809", "target_label": "levonorgestrel", "cosine_similarity": 0.3878070116043091 } }, { "source": "CID:132475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "GBR-13069-GR-127935 similarity", "source_label": "GBR-13069", "target_label": "GR-127935", "cosine_similarity": 0.4285479187965393 } }, { "source": "CID:67505836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60149", "properties": { "id": "ledipasvir-sertindole similarity", "source_label": "ledipasvir", "target_label": "sertindole", "cosine_similarity": 0.2998139262199402 } }, { "source": "CID:156422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "doramapimod-TAK-715 similarity", "source_label": "doramapimod", "target_label": "TAK-715", "cosine_similarity": 0.4354684352874756 } }, { "source": "CID:2830510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "salubrinal-K784-3187 similarity", "source_label": "salubrinal", "target_label": "K784-3187", "cosine_similarity": 0.3049048483371734 } }, { "source": "CID:31549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91930061", "properties": { "id": "anisomycin-bruceantin similarity", "source_label": "anisomycin", "target_label": "bruceantin", "cosine_similarity": 0.7722347974777222 } }, { "source": "CID:44483977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "DM-55-3-amikacin similarity", "source_label": "DM-55-3", "target_label": "amikacin", "cosine_similarity": 0.4577527940273285 } }, { "source": "CID:73707537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "BG-1008-scriptaid similarity", "source_label": "BG-1008", "target_label": "scriptaid", "cosine_similarity": 0.4867720305919647 } }, { "source": "CID:152946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "moxifloxacin-CV-1808 similarity", "source_label": "moxifloxacin", "target_label": "CV-1808", "cosine_similarity": 0.4248932600021362 } }, { "source": "CID:10291556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "meloxicam-lacosamide similarity", "source_label": "meloxicam", "target_label": "lacosamide", "cosine_similarity": 0.4618237018585205 } }, { "source": "CID:5282451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "pitavastatin-SA-1921456 similarity", "source_label": "pitavastatin", "target_label": "SA-1921456", "cosine_similarity": 0.5168357491493225 } }, { "source": "CID:65856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11615393", "properties": { "id": "reboxetine-telmesteine similarity", "source_label": "reboxetine", "target_label": "telmesteine", "cosine_similarity": 0.3776199519634247 } }, { "source": "CID:6918456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77991", "properties": { "id": "prasugrel-rivastigmine similarity", "source_label": "prasugrel", "target_label": "rivastigmine", "cosine_similarity": 0.2689026892185211 } }, { "source": "CID:108143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "tamibarotene-AC-55649 similarity", "source_label": "tamibarotene", "target_label": "AC-55649", "cosine_similarity": 0.4144656360149383 } }, { "source": "CID:2950007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4764", "properties": { "id": "ML-141-phenolphthalein similarity", "source_label": "ML-141", "target_label": "phenolphthalein", "cosine_similarity": 0.1885102093219757 } }, { "source": "CID:2820696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "KM-04644SC-SA-427543 similarity", "source_label": "KM-04644SC", "target_label": "SA-427543", "cosine_similarity": 0.2767027914524078 } }, { "source": "CID:16741245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "AZD-7545-dalcetrapib similarity", "source_label": "AZD-7545", "target_label": "dalcetrapib", "cosine_similarity": 0.4374117255210876 } }, { "source": "CID:674282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448799", "properties": { "id": "ST-001903-epothilone-a similarity", "source_label": "ST-001903", "target_label": "epothilone-a", "cosine_similarity": 0.3003530204296112 } }, { "source": "CID:71329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "dofetilide-temozolomide similarity", "source_label": "dofetilide", "target_label": "temozolomide", "cosine_similarity": 0.1970860362052917 } }, { "source": "CID:54656096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494528", "properties": { "id": "SA-1473648-SA-424763 similarity", "source_label": "SA-1473648", "target_label": "SA-424763", "cosine_similarity": 0.239422008395195 } }, { "source": "CID:3579902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "KU-C103874-BMS-641988 similarity", "source_label": "KU-C103874", "target_label": "BMS-641988", "cosine_similarity": 0.3433392643928528 } }, { "source": "CID:104758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "raltitrexed-mitomycin-c similarity", "source_label": "raltitrexed", "target_label": "mitomycin-c", "cosine_similarity": 0.6896077990531921 } }, { "source": "CID:54657755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "SA-1459830-MW-STK33-2B similarity", "source_label": "SA-1459830", "target_label": "MW-STK33-2B", "cosine_similarity": 0.2712768316268921 } }, { "source": "CID:101989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "androstenol-PF-04217903 similarity", "source_label": "androstenol", "target_label": "PF-04217903", "cosine_similarity": 0.2663508951663971 } }, { "source": "CID:24771824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "PF-04457845-cabergoline similarity", "source_label": "PF-04457845", "target_label": "cabergoline", "cosine_similarity": 0.4832266867160797 } }, { "source": "CID:73707561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153005", "properties": { "id": "desmethyl-DASB-tyramine similarity", "source_label": "desmethyl-DASB", "target_label": "tyramine", "cosine_similarity": 0.2674778997898102 } }, { "source": "CID:3779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4174", "properties": { "id": "isoprenaline-metyrapone similarity", "source_label": "isoprenaline", "target_label": "metyrapone", "cosine_similarity": 0.2357783913612365 } }, { "source": "CID:610479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "tolfenamic-acid-actarit similarity", "source_label": "tolfenamic-acid", "target_label": "actarit", "cosine_similarity": 0.334075003862381 } }, { "source": "CID:94701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312529", "properties": { "id": "diprotin-a-eicosatrienoic-acid similarity", "source_label": "diprotin-a", "target_label": "eicosatrienoic-acid", "cosine_similarity": 0.2450140863656997 } }, { "source": "CID:3162043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "MW-STK33-1B-PSH-003 similarity", "source_label": "MW-STK33-1B", "target_label": "PSH-003", "cosine_similarity": 0.2808043956756592 } }, { "source": "CID:31404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:95801", "properties": { "id": "butylated-hydroxytoluene-BTS similarity", "source_label": "butylated-hydroxytoluene", "target_label": "BTS", "cosine_similarity": 0.6255391836166382 } }, { "source": "CID:5174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "SC-68376-SA-423131 similarity", "source_label": "SC-68376", "target_label": "SA-423131", "cosine_similarity": 0.3039062321186065 } }, { "source": "CID:5078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "rizatriptan-meloxicam similarity", "source_label": "rizatriptan", "target_label": "meloxicam", "cosine_similarity": 0.3857824206352234 } }, { "source": "CID:4919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "procyclidine-SA-101776 similarity", "source_label": "procyclidine", "target_label": "SA-101776", "cosine_similarity": 0.2119236141443252 } }, { "source": "CID:135925261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "rifampicin-swainsonine similarity", "source_label": "rifampicin", "target_label": "swainsonine", "cosine_similarity": 0.2507342100143432 } }, { "source": "CID:44129591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601470", "properties": { "id": "VU-0366968-KUC103893N similarity", "source_label": "VU-0366968", "target_label": "KUC103893N", "cosine_similarity": 0.2568063735961914 } }, { "source": "CID:5488548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "alvimopan-clofibric-acid similarity", "source_label": "alvimopan", "target_label": "clofibric-acid", "cosine_similarity": 0.4478741884231567 } }, { "source": "CID:5332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "sulfamonomethoxine-IDRA-21 similarity", "source_label": "sulfamonomethoxine", "target_label": "IDRA-21", "cosine_similarity": 0.3664743602275848 } }, { "source": "CID:442897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "dubinidine-pepstatin similarity", "source_label": "dubinidine", "target_label": "pepstatin", "cosine_similarity": 0.53708815574646 } }, { "source": "CID:4488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3721046", "properties": { "id": "niflumic-acid-CNQX similarity", "source_label": "niflumic-acid", "target_label": "CNQX", "cosine_similarity": 0.2609467804431915 } }, { "source": "CID:16760037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286565", "properties": { "id": "calyculin-ST-4029573 similarity", "source_label": "calyculin", "target_label": "ST-4029573", "cosine_similarity": 0.2983358204364776 } }, { "source": "CID:71748056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "QL-XII-47-emetine similarity", "source_label": "QL-XII-47", "target_label": "emetine", "cosine_similarity": 0.6877917647361755 } }, { "source": "CID:91769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "zolantidine-promazine similarity", "source_label": "zolantidine", "target_label": "promazine", "cosine_similarity": 0.3226196765899658 } }, { "source": "CID:49843099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "SA-441350-SA-1457336 similarity", "source_label": "SA-441350", "target_label": "SA-1457336", "cosine_similarity": 0.295644462108612 } }, { "source": "CID:3346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "fenthion-perindopril similarity", "source_label": "fenthion", "target_label": "perindopril", "cosine_similarity": 0.2017956525087356 } }, { "source": "CID:5487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "tizanidine-rifabutin similarity", "source_label": "tizanidine", "target_label": "rifabutin", "cosine_similarity": 0.359861671924591 } }, { "source": "CID:11617559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "GW-2580-T-0156 similarity", "source_label": "GW-2580", "target_label": "T-0156", "cosine_similarity": 0.3825623691082001 } }, { "source": "CID:3289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2948", "properties": { "id": "ethoprop-damnacanthal similarity", "source_label": "ethoprop", "target_label": "damnacanthal", "cosine_similarity": 0.2755764424800873 } }, { "source": "CID:5920", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318433", "properties": { "id": "liothyronine-indirubin similarity", "source_label": "liothyronine", "target_label": "indirubin", "cosine_similarity": 0.2112495154142379 } }, { "source": "CID:10253143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68210102", "properties": { "id": "GW-842166-GSK-2816126 similarity", "source_label": "GW-842166", "target_label": "GSK-2816126", "cosine_similarity": 0.3948265016078949 } }, { "source": "CID:6708769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669029", "properties": { "id": "buddleoflavonoloside-SA-1921574 similarity", "source_label": "buddleoflavonoloside", "target_label": "SA-1921574", "cosine_similarity": 0.2993671298027038 } }, { "source": "CID:3748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918409", "properties": { "id": "iproniazid-CO-101244 similarity", "source_label": "iproniazid", "target_label": "CO-101244", "cosine_similarity": 0.5667187571525574 } }, { "source": "CID:470071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "ethambutol-PSB-069 similarity", "source_label": "ethambutol", "target_label": "PSB-069", "cosine_similarity": 0.2679016292095184 } }, { "source": "CID:56962336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "EPZ-004777-inositol similarity", "source_label": "EPZ-004777", "target_label": "inositol", "cosine_similarity": 0.3099796772003174 } }, { "source": "CID:44623840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "KU-C104227-COL-3 similarity", "source_label": "KU-C104227", "target_label": "COL-3", "cosine_similarity": 0.3235710561275482 } }, { "source": "CID:4521392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "SB-431542-carbamazepine similarity", "source_label": "SB-431542", "target_label": "carbamazepine", "cosine_similarity": 0.3265939354896545 } }, { "source": "CID:44483393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "SA-85901-MW-MITF9 similarity", "source_label": "SA-85901", "target_label": "MW-MITF9", "cosine_similarity": 0.3311407566070556 } }, { "source": "CID:3086618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610310", "properties": { "id": "zamifenacin-MBCQ similarity", "source_label": "zamifenacin", "target_label": "MBCQ", "cosine_similarity": 0.2017191499471664 } }, { "source": "CID:20555075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "CGP-12177-dapivirine similarity", "source_label": "CGP-12177", "target_label": "dapivirine", "cosine_similarity": 0.4507996439933777 } }, { "source": "CID:16760312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "inhibitor-BEC-teniposide similarity", "source_label": "inhibitor-BEC", "target_label": "teniposide", "cosine_similarity": 0.4184601008892059 } }, { "source": "CID:14987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "lysergol-rhapontin similarity", "source_label": "lysergol", "target_label": "rhapontin", "cosine_similarity": 0.2243256866931915 } }, { "source": "CID:1354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "m-chlorophenylbiguanide-FTI-276 similarity", "source_label": "m-chlorophenylbiguanide", "target_label": "FTI-276", "cosine_similarity": 0.2167739868164062 } }, { "source": "CID:24747180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4993", "properties": { "id": "JAS07-010-pyrimethamine similarity", "source_label": "JAS07-010", "target_label": "pyrimethamine", "cosine_similarity": 0.2025356590747833 } }, { "source": "CID:3086618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45934210", "properties": { "id": "zamifenacin-solifenacin similarity", "source_label": "zamifenacin", "target_label": "solifenacin", "cosine_similarity": 0.1802770495414734 } }, { "source": "CID:11707110", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "trametinib-PD-0325901 similarity", "source_label": "trametinib", "target_label": "PD-0325901", "cosine_similarity": 0.9407784342765808 } }, { "source": "CID:20635522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24772043", "properties": { "id": "KIN001-127-tenovin-6 similarity", "source_label": "KIN001-127", "target_label": "tenovin-6", "cosine_similarity": 0.4126594662666321 } }, { "source": "CID:134044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "labetalol-LY-2886721 similarity", "source_label": "labetalol", "target_label": "LY-2886721", "cosine_similarity": 0.4117027521133423 } }, { "source": "CID:53232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "lovastatin-atorvastatin similarity", "source_label": "lovastatin", "target_label": "atorvastatin", "cosine_similarity": 0.4169274270534515 } }, { "source": "CID:129010025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "azithromycin-saxagliptin similarity", "source_label": "azithromycin", "target_label": "saxagliptin", "cosine_similarity": 0.4035951197147369 } }, { "source": "CID:2415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "BML-190-MW-STK33-100 similarity", "source_label": "BML-190", "target_label": "MW-STK33-100", "cosine_similarity": 0.2461662590503692 } }, { "source": "CID:441383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "terconazole-NTNCB similarity", "source_label": "terconazole", "target_label": "NTNCB", "cosine_similarity": 0.3978535532951355 } }, { "source": "CID:11404337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "obatoclax-thioridazine similarity", "source_label": "obatoclax", "target_label": "thioridazine", "cosine_similarity": 0.739727795124054 } }, { "source": "CID:46931242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15331", "properties": { "id": "UNC-669-daminozide similarity", "source_label": "UNC-669", "target_label": "daminozide", "cosine_similarity": 0.4529699087142944 } }, { "source": "CID:5152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "salmeterol-trifluoperazine similarity", "source_label": "salmeterol", "target_label": "trifluoperazine", "cosine_similarity": 0.6521787047386169 } }, { "source": "CID:16043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "tert-butylhydroquinone-sulforaphane similarity", "source_label": "tert-butylhydroquinone", "target_label": "sulforaphane", "cosine_similarity": 0.3663079440593719 } }, { "source": "CID:24747210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "PSH-027-Gossypetin similarity", "source_label": "PSH-027", "target_label": "Gossypetin", "cosine_similarity": 0.3431066572666168 } }, { "source": "CID:5329102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "sunitinib-CAM-9-027-3 similarity", "source_label": "sunitinib", "target_label": "CAM-9-027-3", "cosine_similarity": 0.5129108428955078 } }, { "source": "CID:5312137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "SU-6656-PSH-028 similarity", "source_label": "SU-6656", "target_label": "PSH-028", "cosine_similarity": 0.2245939373970031 } }, { "source": "CID:5311128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "goserelin-acetate-CO-102862 similarity", "source_label": "goserelin-acetate", "target_label": "CO-102862", "cosine_similarity": 0.2786255478858948 } }, { "source": "CID:6450278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "GR-235-phenethyl-isothiocyanate similarity", "source_label": "GR-235", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.4146654307842254 } }, { "source": "CID:67361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "thiomersal-MD-049 similarity", "source_label": "thiomersal", "target_label": "MD-049", "cosine_similarity": 0.3013984560966491 } }, { "source": "CID:70680405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "MW-SHH-151-PTB1 similarity", "source_label": "MW-SHH-151", "target_label": "PTB1", "cosine_similarity": 0.2996011972427368 } }, { "source": "CID:7079134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "JAS07-001-doxazosin similarity", "source_label": "JAS07-001", "target_label": "doxazosin", "cosine_similarity": 0.2399858087301254 } }, { "source": "CID:2381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "biperiden-thalidomide similarity", "source_label": "biperiden", "target_label": "thalidomide", "cosine_similarity": 0.3382368087768554 } }, { "source": "CID:44620122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "SD-6-035-A9-1-benzylimidazole similarity", "source_label": "SD-6-035-A9", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2530970275402069 } }, { "source": "CID:54657751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-1458306-SA-1459213 similarity", "source_label": "SA-1458306", "target_label": "SA-1459213", "cosine_similarity": 0.3850790560245514 } }, { "source": "CID:1935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3423", "properties": { "id": "tacrine-FPL-64176 similarity", "source_label": "tacrine", "target_label": "FPL-64176", "cosine_similarity": 0.3284507989883423 } }, { "source": "CID:44491382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54617432", "properties": { "id": "SA-97343-SA-424380 similarity", "source_label": "SA-97343", "target_label": "SA-424380", "cosine_similarity": 0.2067034244537353 } }, { "source": "CID:54614219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492524", "properties": { "id": "SA-441092-SA-242939 similarity", "source_label": "SA-441092", "target_label": "SA-242939", "cosine_similarity": 0.5018436908721924 } }, { "source": "CID:132496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "FGIN-1-27-sparfosic-acid similarity", "source_label": "FGIN-1-27", "target_label": "sparfosic-acid", "cosine_similarity": 0.3163930177688598 } }, { "source": "CID:119032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "NO-ASA-EMF-sumo1-11 similarity", "source_label": "NO-ASA", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5290350914001465 } }, { "source": "CID:10666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "ricinine-myricetin similarity", "source_label": "ricinine", "target_label": "myricetin", "cosine_similarity": 0.3320024311542511 } }, { "source": "CID:44623837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5356121", "properties": { "id": "KU-C104223-flavokavain-b similarity", "source_label": "KU-C104223", "target_label": "flavokavain-b", "cosine_similarity": 0.2340309619903564 } }, { "source": "CID:23897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "molindone-PF-03084014 similarity", "source_label": "molindone", "target_label": "PF-03084014", "cosine_similarity": 0.4881616532802582 } }, { "source": "CID:2802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "clonazepam-epirizole similarity", "source_label": "clonazepam", "target_label": "epirizole", "cosine_similarity": 0.3807089626789093 } }, { "source": "CID:11676786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "AZ-628-PD-184352 similarity", "source_label": "AZ-628", "target_label": "PD-184352", "cosine_similarity": 0.755893349647522 } }, { "source": "CID:34633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "moracizine-DPCPX similarity", "source_label": "moracizine", "target_label": "DPCPX", "cosine_similarity": 0.4136184453964233 } }, { "source": "CID:44247543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "VU-0402605-gossypol similarity", "source_label": "VU-0402605", "target_label": "gossypol", "cosine_similarity": 0.2103948891162872 } }, { "source": "CID:3042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680405", "properties": { "id": "dicycloverine-MW-SHH-151 similarity", "source_label": "dicycloverine", "target_label": "MW-SHH-151", "cosine_similarity": 0.2072748839855194 } }, { "source": "CID:5288600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "IC-261-vincristine similarity", "source_label": "IC-261", "target_label": "vincristine", "cosine_similarity": 0.6530528664588928 } }, { "source": "CID:3682562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707548", "properties": { "id": "BG-1001-BG-1002 similarity", "source_label": "BG-1001", "target_label": "BG-1002", "cosine_similarity": 0.2594685554504394 } }, { "source": "CID:6604889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "SB-269970-fumonisin-b1 similarity", "source_label": "SB-269970", "target_label": "fumonisin-b1", "cosine_similarity": 0.3169868588447571 } }, { "source": "CID:45376076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010090", "properties": { "id": "RN-1-ginkgolide-a similarity", "source_label": "RN-1", "target_label": "ginkgolide-a", "cosine_similarity": 0.18602254986763 } }, { "source": "CID:4237309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388962", "properties": { "id": "L-701252-enalapril similarity", "source_label": "L-701252", "target_label": "enalapril", "cosine_similarity": 0.2158176749944687 } }, { "source": "CID:208908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "lapatinib-ponatinib similarity", "source_label": "lapatinib", "target_label": "ponatinib", "cosine_similarity": 0.5097892880439758 } }, { "source": "CID:5311412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "rimexolone-beclomethasone-dipropionate similarity", "source_label": "rimexolone", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.6669957041740417 } }, { "source": "CID:4020240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "sericetin-DMNB similarity", "source_label": "sericetin", "target_label": "DMNB", "cosine_similarity": 0.3478320837020874 } }, { "source": "CID:23649154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "tegobuvir-vinpocetine similarity", "source_label": "tegobuvir", "target_label": "vinpocetine", "cosine_similarity": 0.3536371886730194 } }, { "source": "CID:5788723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "GBR-12783-CAY-10594 similarity", "source_label": "GBR-12783", "target_label": "CAY-10594", "cosine_similarity": 0.3409590125083923 } }, { "source": "CID:2118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "alprazolam-PCI-24781 similarity", "source_label": "alprazolam", "target_label": "PCI-24781", "cosine_similarity": 0.3412033319473266 } }, { "source": "CID:5281542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "harpagoside-FTI-276 similarity", "source_label": "harpagoside", "target_label": "FTI-276", "cosine_similarity": 0.2435879111289978 } }, { "source": "CID:9956637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "PD-198306-ponatinib similarity", "source_label": "PD-198306", "target_label": "ponatinib", "cosine_similarity": 0.5699586868286133 } }, { "source": "CID:6843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "propoxycaine-lorazepam similarity", "source_label": "propoxycaine", "target_label": "lorazepam", "cosine_similarity": 0.3153753578662872 } }, { "source": "CID:3822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "ketanserin-GSK-429286A similarity", "source_label": "ketanserin", "target_label": "GSK-429286A", "cosine_similarity": 0.3712496757507324 } }, { "source": "CID:44640178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "KU-C104488-tenofovir similarity", "source_label": "KU-C104488", "target_label": "tenofovir", "cosine_similarity": 0.2842435240745544 } }, { "source": "CID:24868316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65957", "properties": { "id": "WAY-213613-pazufloxacin similarity", "source_label": "WAY-213613", "target_label": "pazufloxacin", "cosine_similarity": 0.1951177418231964 } }, { "source": "CID:44486995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-424764-SA-1921816 similarity", "source_label": "SA-424764", "target_label": "SA-1921816", "cosine_similarity": 0.2485682964324951 } }, { "source": "CID:65482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5436", "properties": { "id": "sinefungin-thiamylal similarity", "source_label": "sinefungin", "target_label": "thiamylal", "cosine_similarity": 0.2102543264627456 } }, { "source": "CID:44501814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "SA-103006-DAC-003 similarity", "source_label": "SA-103006", "target_label": "DAC-003", "cosine_similarity": 0.3092550933361053 } }, { "source": "CID:5614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "tyrphostin-A9-CGP-71683 similarity", "source_label": "tyrphostin-A9", "target_label": "CGP-71683", "cosine_similarity": 0.7231858372688293 } }, { "source": "CID:54654433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "SA-1463839-thiotepa similarity", "source_label": "SA-1463839", "target_label": "thiotepa", "cosine_similarity": 0.2119778841733932 } }, { "source": "CID:72967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "isonicotinohydroxamic-acid-thalidomide similarity", "source_label": "isonicotinohydroxamic-acid", "target_label": "thalidomide", "cosine_similarity": 0.3228093087673187 } }, { "source": "CID:11749858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "PCI-24781-vorinostat similarity", "source_label": "PCI-24781", "target_label": "vorinostat", "cosine_similarity": 0.9136420488357544 } }, { "source": "CID:833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3478", "properties": { "id": "L-citrulline-glipizide similarity", "source_label": "L-citrulline", "target_label": "glipizide", "cosine_similarity": 0.4038882255554199 } }, { "source": "CID:442128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "dihydrosamidin-GW-5074 similarity", "source_label": "dihydrosamidin", "target_label": "GW-5074", "cosine_similarity": 0.3563610911369324 } }, { "source": "CID:54668617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-1919248-SA-85268 similarity", "source_label": "SA-1919248", "target_label": "SA-85268", "cosine_similarity": 0.3916057348251343 } }, { "source": "CID:22693263", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926574", "properties": { "id": "RAN-02-MW-A1-18 similarity", "source_label": "RAN-02", "target_label": "MW-A1-18", "cosine_similarity": 0.2673040330410003 } }, { "source": "CID:60188101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "RS-I-002-6-SA-1447005 similarity", "source_label": "RS-I-002-6", "target_label": "SA-1447005", "cosine_similarity": 0.7922532558441162 } }, { "source": "CID:24113957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "H-9-AR-A014418 similarity", "source_label": "H-9", "target_label": "AR-A014418", "cosine_similarity": 0.3114783763885498 } }, { "source": "CID:5281912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "prostaglandin-a1-gatifloxacin similarity", "source_label": "prostaglandin-a1", "target_label": "gatifloxacin", "cosine_similarity": 0.348814994096756 } }, { "source": "CID:58144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "indolophenanthridine-amsacrine similarity", "source_label": "indolophenanthridine", "target_label": "amsacrine", "cosine_similarity": 0.285936951637268 } }, { "source": "CID:190901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "N-MPPP-methapyrilene similarity", "source_label": "N-MPPP", "target_label": "methapyrilene", "cosine_similarity": 0.2260712236166 } }, { "source": "CID:20299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "tridihexethyl-amikacin similarity", "source_label": "tridihexethyl", "target_label": "amikacin", "cosine_similarity": 0.2781948745250702 } }, { "source": "CID:6196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362124", "properties": { "id": "oxacillin-benazepril similarity", "source_label": "oxacillin", "target_label": "benazepril", "cosine_similarity": 0.2106584906578064 } }, { "source": "CID:7172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "synephrine-DAC-013 similarity", "source_label": "synephrine", "target_label": "DAC-013", "cosine_similarity": 0.2747997343540191 } }, { "source": "CID:25419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4421", "properties": { "id": "clodronic-acid-nalidixic-acid similarity", "source_label": "clodronic-acid", "target_label": "nalidixic-acid", "cosine_similarity": 0.2210592925548553 } }, { "source": "CID:443872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34633", "properties": { "id": "eplerenone-moracizine similarity", "source_label": "eplerenone", "target_label": "moracizine", "cosine_similarity": 0.3419275879859924 } }, { "source": "CID:54666573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085416", "properties": { "id": "SA-1919875-ivermectin similarity", "source_label": "SA-1919875", "target_label": "ivermectin", "cosine_similarity": 0.2897244989871979 } }, { "source": "CID:400169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "SC-144-VU-0410183-2 similarity", "source_label": "SC-144", "target_label": "VU-0410183-2", "cosine_similarity": 0.7395980358123779 } }, { "source": "CID:5497183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "z-leu3-VS-NSC-3852 similarity", "source_label": "z-leu3-VS", "target_label": "NSC-3852", "cosine_similarity": 0.7110031843185425 } }, { "source": "CID:44484225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707400", "properties": { "id": "SA-90030-SA-1460136 similarity", "source_label": "SA-90030", "target_label": "SA-1460136", "cosine_similarity": 0.3231045305728912 } }, { "source": "CID:441290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "rocuronium-vortioxetine similarity", "source_label": "rocuronium", "target_label": "vortioxetine", "cosine_similarity": 0.4323223829269409 } }, { "source": "CID:10251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "flavanone-gatifloxacin similarity", "source_label": "flavanone", "target_label": "gatifloxacin", "cosine_similarity": 0.3036899864673614 } }, { "source": "CID:71157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "nefiracetam-cholic-acid similarity", "source_label": "nefiracetam", "target_label": "cholic-acid", "cosine_similarity": 0.4019155502319336 } }, { "source": "CID:2712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "chlordiazepoxide-XAV-939 similarity", "source_label": "chlordiazepoxide", "target_label": "XAV-939", "cosine_similarity": 0.3269388079643249 } }, { "source": "CID:4728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "penicillic-acid-NSC-632839 similarity", "source_label": "penicillic-acid", "target_label": "NSC-632839", "cosine_similarity": 0.3872739374637604 } }, { "source": "CID:11243969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "saxagliptin-nemonapride similarity", "source_label": "saxagliptin", "target_label": "nemonapride", "cosine_similarity": 0.5317284464836121 } }, { "source": "CID:3611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "hinokitiol-VU-0418939-2 similarity", "source_label": "hinokitiol", "target_label": "VU-0418939-2", "cosine_similarity": 0.6112372279167175 } }, { "source": "CID:1088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "sarcosine-meglitinide similarity", "source_label": "sarcosine", "target_label": "meglitinide", "cosine_similarity": 0.4622929394245147 } }, { "source": "CID:6560164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:175540", "properties": { "id": "azlocillin-atenolol similarity", "source_label": "azlocillin", "target_label": "atenolol", "cosine_similarity": 0.3088417649269104 } }, { "source": "CID:5702031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "danazol-resatorvid similarity", "source_label": "danazol", "target_label": "resatorvid", "cosine_similarity": 0.4587430357933044 } }, { "source": "CID:3329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "faropenem-GNF-2 similarity", "source_label": "faropenem", "target_label": "GNF-2", "cosine_similarity": 0.35943803191185 } }, { "source": "CID:49867930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3627", "properties": { "id": "RG-4733-homochlorcyclizine similarity", "source_label": "RG-4733", "target_label": "homochlorcyclizine", "cosine_similarity": 0.3708442449569702 } }, { "source": "CID:4754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "phenacetin-LY-2365109 similarity", "source_label": "phenacetin", "target_label": "LY-2365109", "cosine_similarity": 0.2616030871868133 } }, { "source": "CID:23817954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "josamycin-losmapimod similarity", "source_label": "josamycin", "target_label": "losmapimod", "cosine_similarity": 0.2773565053939819 } }, { "source": "CID:9543513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "APO-866-BMS-191011 similarity", "source_label": "APO-866", "target_label": "BMS-191011", "cosine_similarity": 0.6768587231636047 } }, { "source": "CID:4462449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "CAY-10578-Gossypetin similarity", "source_label": "CAY-10578", "target_label": "Gossypetin", "cosine_similarity": 0.2694841921329498 } }, { "source": "CID:2946601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167551", "properties": { "id": "JW-55-anacardic-acid similarity", "source_label": "JW-55", "target_label": "anacardic-acid", "cosine_similarity": 0.5148122310638428 } }, { "source": "CID:5281901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "oligomycin-c-CGP-71683 similarity", "source_label": "oligomycin-c", "target_label": "CGP-71683", "cosine_similarity": 0.5417086482048035 } }, { "source": "CID:1889993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "fatostatin-NU-1025 similarity", "source_label": "fatostatin", "target_label": "NU-1025", "cosine_similarity": 0.4999873340129852 } }, { "source": "CID:449171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1356208", "properties": { "id": "alitretinoin-SANT-1 similarity", "source_label": "alitretinoin", "target_label": "SANT-1", "cosine_similarity": 0.45660600066185 } }, { "source": "CID:3958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "lorazepam-dienestrol similarity", "source_label": "lorazepam", "target_label": "dienestrol", "cosine_similarity": 0.6299982666969299 } }, { "source": "CID:17142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5564", "properties": { "id": "teroxirone-triclosan similarity", "source_label": "teroxirone", "target_label": "triclosan", "cosine_similarity": 0.3044423758983612 } }, { "source": "CID:3226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1646", "properties": { "id": "enflurane-tramiprosate similarity", "source_label": "enflurane", "target_label": "tramiprosate", "cosine_similarity": 0.1746448278427124 } }, { "source": "CID:6604794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "RS-16566-SD-6-035-A8 similarity", "source_label": "RS-16566", "target_label": "SD-6-035-A8", "cosine_similarity": 0.2547830939292907 } }, { "source": "CID:5770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4746", "properties": { "id": "reserpine-perhexiline similarity", "source_label": "reserpine", "target_label": "perhexiline", "cosine_similarity": 0.3529978990554809 } }, { "source": "CID:2214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "apocynin-dipyridamole similarity", "source_label": "apocynin", "target_label": "dipyridamole", "cosine_similarity": 0.626274585723877 } }, { "source": "CID:6604009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "SB-222200-L-ergothioneine similarity", "source_label": "SB-222200", "target_label": "L-ergothioneine", "cosine_similarity": 0.378044456243515 } }, { "source": "CID:4516886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "GW-1929-NCS-382 similarity", "source_label": "GW-1929", "target_label": "NCS-382", "cosine_similarity": 0.3617744147777557 } }, { "source": "CID:54660437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490257", "properties": { "id": "SA-1459714-SA-102607 similarity", "source_label": "SA-1459714", "target_label": "SA-102607", "cosine_similarity": 0.3861935138702392 } }, { "source": "CID:4830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "pipamperone-pepstatin similarity", "source_label": "pipamperone", "target_label": "pepstatin", "cosine_similarity": 0.4209890365600586 } }, { "source": "CID:9827968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6917960", "properties": { "id": "GSK-256066-KBG similarity", "source_label": "GSK-256066", "target_label": "KBG", "cosine_similarity": 0.331367015838623 } }, { "source": "CID:2801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "clomipramine-tamoxifen similarity", "source_label": "clomipramine", "target_label": "tamoxifen", "cosine_similarity": 0.6579960584640503 } }, { "source": "CID:104758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "raltitrexed-gemcitabine similarity", "source_label": "raltitrexed", "target_label": "gemcitabine", "cosine_similarity": 0.6879346370697021 } }, { "source": "CID:4314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "W-5-losartan similarity", "source_label": "W-5", "target_label": "losartan", "cosine_similarity": 0.3051057159900665 } }, { "source": "CID:5353609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "erbstatin-analog-AG-957 similarity", "source_label": "erbstatin-analog", "target_label": "AG-957", "cosine_similarity": 0.4144318997859955 } }, { "source": "CID:5382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "TCPOBOP-Gossypetin similarity", "source_label": "TCPOBOP", "target_label": "Gossypetin", "cosine_similarity": 0.3560959100723266 } }, { "source": "CID:44386188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "3-deazaadenosine-linsidomine similarity", "source_label": "3-deazaadenosine", "target_label": "linsidomine", "cosine_similarity": 0.2570780217647552 } }, { "source": "CID:46742353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "VU-0418946-1-VU-0418934-2 similarity", "source_label": "VU-0418946-1", "target_label": "VU-0418934-2", "cosine_similarity": 0.8709531426429749 } }, { "source": "CID:5962587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10620479", "properties": { "id": "triacetylresveratrol-BML-278 similarity", "source_label": "triacetylresveratrol", "target_label": "BML-278", "cosine_similarity": 0.2531761825084686 } }, { "source": "CID:4775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362119", "properties": { "id": "phenylbutyrate-lisinopril similarity", "source_label": "phenylbutyrate", "target_label": "lisinopril", "cosine_similarity": 0.4783389866352081 } }, { "source": "CID:45259135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0415108-1-Gossypetin similarity", "source_label": "VU-0415108-1", "target_label": "Gossypetin", "cosine_similarity": 0.2683239579200744 } }, { "source": "CID:25151504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9832447", "properties": { "id": "cobicistat-efatutazone similarity", "source_label": "cobicistat", "target_label": "efatutazone", "cosine_similarity": 0.3564402759075165 } }, { "source": "CID:3132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "thiorphan-PRIMA1 similarity", "source_label": "thiorphan", "target_label": "PRIMA1", "cosine_similarity": 0.2953388690948486 } }, { "source": "CID:11226090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "taranabant-theobromine similarity", "source_label": "taranabant", "target_label": "theobromine", "cosine_similarity": 0.5704979300498962 } }, { "source": "CID:20555075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "CGP-12177-cisapride similarity", "source_label": "CGP-12177", "target_label": "cisapride", "cosine_similarity": 0.4383362531661987 } }, { "source": "CID:67243342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "TUL-XIX029-TUL-XX025TFA similarity", "source_label": "TUL-XIX029", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3516844511032104 } }, { "source": "CID:3001055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "ranitidine-mirtazapine similarity", "source_label": "ranitidine", "target_label": "mirtazapine", "cosine_similarity": 0.4403147995471954 } }, { "source": "CID:6018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4634", "properties": { "id": "tetrabenazine-oxybutynin similarity", "source_label": "tetrabenazine", "target_label": "oxybutynin", "cosine_similarity": 0.2486856579780578 } }, { "source": "CID:5702069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "hydrocortisone-hemisuccinate-hydrocortisone similarity", "source_label": "hydrocortisone-hemisuccinate", "target_label": "hydrocortisone", "cosine_similarity": 0.3502925932407379 } }, { "source": "CID:46944259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71481097", "properties": { "id": "LY-2874455-KPT-330 similarity", "source_label": "LY-2874455", "target_label": "KPT-330", "cosine_similarity": 0.427413672208786 } }, { "source": "CID:2685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "CGP-20712-salmeterol similarity", "source_label": "CGP-20712", "target_label": "salmeterol", "cosine_similarity": 0.2304446548223495 } }, { "source": "CID:60193939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-1939915-SA-1460008 similarity", "source_label": "SA-1939915", "target_label": "SA-1460008", "cosine_similarity": 0.3884699642658233 } }, { "source": "CID:54667764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484592", "properties": { "id": "SA-1920756-SA-424534 similarity", "source_label": "SA-1920756", "target_label": "SA-424534", "cosine_similarity": 0.2230052500963211 } }, { "source": "CID:50997747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9808844", "properties": { "id": "DMH1-telatinib similarity", "source_label": "DMH1", "target_label": "telatinib", "cosine_similarity": 0.2221706509590149 } }, { "source": "CID:3456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "GBR-12935-cisapride similarity", "source_label": "GBR-12935", "target_label": "cisapride", "cosine_similarity": 0.2317017763853073 } }, { "source": "CID:9828429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "proscillaridin-cinobufagin similarity", "source_label": "proscillaridin", "target_label": "cinobufagin", "cosine_similarity": 0.8839055299758911 } }, { "source": "CID:442972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:196841", "properties": { "id": "cyclopamine-FR-122047 similarity", "source_label": "cyclopamine", "target_label": "FR-122047", "cosine_similarity": 0.2525099515914917 } }, { "source": "CID:123964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1978", "properties": { "id": "ASA-404-acebutolol similarity", "source_label": "ASA-404", "target_label": "acebutolol", "cosine_similarity": 0.2947060167789459 } }, { "source": "CID:11705608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2343", "properties": { "id": "APD-668-benzthiazide similarity", "source_label": "APD-668", "target_label": "benzthiazide", "cosine_similarity": 0.2930392622947693 } }, { "source": "CID:72199293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "EI1-roflumilast similarity", "source_label": "EI1", "target_label": "roflumilast", "cosine_similarity": 0.2842525541782379 } }, { "source": "CID:44483234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "terreic-acid-pifithrin-mu similarity", "source_label": "terreic-acid", "target_label": "pifithrin-mu", "cosine_similarity": 0.6894342303276062 } }, { "source": "CID:4826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "pinacidil-dexloxiglumide similarity", "source_label": "pinacidil", "target_label": "dexloxiglumide", "cosine_similarity": 0.7495890855789185 } }, { "source": "CID:5281691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9836739", "properties": { "id": "rhamnetin-PNU-74654 similarity", "source_label": "rhamnetin", "target_label": "PNU-74654", "cosine_similarity": 0.2922748029232025 } }, { "source": "CID:6604822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9872438", "properties": { "id": "AM-404-SSR-69071 similarity", "source_label": "AM-404", "target_label": "SSR-69071", "cosine_similarity": 0.2092062383890152 } }, { "source": "CID:57495783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "deforolimus-temsirolimus similarity", "source_label": "deforolimus", "target_label": "temsirolimus", "cosine_similarity": 0.8525611758232117 } }, { "source": "CID:2265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "azathioprine-CGS-21680 similarity", "source_label": "azathioprine", "target_label": "CGS-21680", "cosine_similarity": 0.3956471085548401 } }, { "source": "CID:1548076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680398", "properties": { "id": "STK-721917-MW-SHH-97 similarity", "source_label": "STK-721917", "target_label": "MW-SHH-97", "cosine_similarity": 0.243899255990982 } }, { "source": "CID:44507247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506630", "properties": { "id": "SA-1017940-SA-247384 similarity", "source_label": "SA-1017940", "target_label": "SA-247384", "cosine_similarity": 0.4996105432510376 } }, { "source": "CID:1241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1258678", "properties": { "id": "SKF-77434-ST-014075 similarity", "source_label": "SKF-77434", "target_label": "ST-014075", "cosine_similarity": 0.286504179239273 } }, { "source": "CID:3902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4849", "properties": { "id": "letrozole-piretanide similarity", "source_label": "letrozole", "target_label": "piretanide", "cosine_similarity": 0.4013921022415161 } }, { "source": "CID:72326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "NSC-4644-milrinone similarity", "source_label": "NSC-4644", "target_label": "milrinone", "cosine_similarity": 0.3996730744838714 } }, { "source": "CID:4908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "primaquine-resatorvid similarity", "source_label": "primaquine", "target_label": "resatorvid", "cosine_similarity": 0.5928133726119995 } }, { "source": "CID:128018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "GR-55562-FIT similarity", "source_label": "GR-55562", "target_label": "FIT", "cosine_similarity": 0.3418757915496826 } }, { "source": "CID:60511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "remacemide-BG-STK33-55 similarity", "source_label": "remacemide", "target_label": "BG-STK33-55", "cosine_similarity": 0.3783087730407715 } }, { "source": "CID:91469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "equol-fomepizole similarity", "source_label": "equol", "target_label": "fomepizole", "cosine_similarity": 0.3166244029998779 } }, { "source": "CID:4011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "maprotiline-CAY-10594 similarity", "source_label": "maprotiline", "target_label": "CAY-10594", "cosine_similarity": 0.3948228061199188 } }, { "source": "CID:35370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "zidovudine-acetazolamide similarity", "source_label": "zidovudine", "target_label": "acetazolamide", "cosine_similarity": 0.4158774316310882 } }, { "source": "CID:3549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9868037", "properties": { "id": "HA-14-1-OSI-930 similarity", "source_label": "HA-14-1", "target_label": "OSI-930", "cosine_similarity": 0.235586941242218 } }, { "source": "CID:87217390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "SU-014813-palovarotene similarity", "source_label": "SU-014813", "target_label": "palovarotene", "cosine_similarity": 0.3961530029773712 } }, { "source": "CID:393595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "MRS-1220-NSC-3852 similarity", "source_label": "MRS-1220", "target_label": "NSC-3852", "cosine_similarity": 0.5208650231361389 } }, { "source": "CID:51346455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53358942", "properties": { "id": "PF-03814735-RG-7388 similarity", "source_label": "PF-03814735", "target_label": "RG-7388", "cosine_similarity": 0.4414500296115875 } }, { "source": "CID:4203080", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8982", "properties": { "id": "L-655708-nafcillin similarity", "source_label": "L-655708", "target_label": "nafcillin", "cosine_similarity": 0.2881217002868652 } }, { "source": "CID:4298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "W-12-2-phenylmelatonin similarity", "source_label": "W-12", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.3207561671733856 } }, { "source": "CID:208901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "tesaglitazar-saxagliptin similarity", "source_label": "tesaglitazar", "target_label": "saxagliptin", "cosine_similarity": 0.3507088124752044 } }, { "source": "CID:9953065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "SLV-320-T-0156 similarity", "source_label": "SLV-320", "target_label": "T-0156", "cosine_similarity": 0.3634069561958313 } }, { "source": "CID:131414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "NCS-382-FTI-276 similarity", "source_label": "NCS-382", "target_label": "FTI-276", "cosine_similarity": 0.3837117850780487 } }, { "source": "CID:4203080", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20507134", "properties": { "id": "L-655708-isoxicam similarity", "source_label": "L-655708", "target_label": "isoxicam", "cosine_similarity": 0.2880419194698334 } }, { "source": "CID:31275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "dioxane-VER-155008 similarity", "source_label": "dioxane", "target_label": "VER-155008", "cosine_similarity": 0.2396014332771301 } }, { "source": "CID:44607977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21785456", "properties": { "id": "KU-C104145-KU-C103869 similarity", "source_label": "KU-C104145", "target_label": "KU-C103869", "cosine_similarity": 0.3478590548038482 } }, { "source": "CID:1923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11631681", "properties": { "id": "oxyquinoline-Ro-3306 similarity", "source_label": "oxyquinoline", "target_label": "Ro-3306", "cosine_similarity": 0.1925422847270965 } }, { "source": "CID:92974", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "droxidopa-gramine similarity", "source_label": "droxidopa", "target_label": "gramine", "cosine_similarity": 0.1992260068655014 } }, { "source": "CID:73707499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2448", "properties": { "id": "paromomycin-bromperidol similarity", "source_label": "paromomycin", "target_label": "bromperidol", "cosine_similarity": 0.2583896815776825 } }, { "source": "CID:121396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "carglumic-acid-emtricitabine similarity", "source_label": "carglumic-acid", "target_label": "emtricitabine", "cosine_similarity": 0.5123155117034912 } }, { "source": "CID:9955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "2-aminopurine-topiramate similarity", "source_label": "2-aminopurine", "target_label": "topiramate", "cosine_similarity": 0.24040287733078 } }, { "source": "CID:10635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3676", "properties": { "id": "dihydrotestosterone-lidocaine similarity", "source_label": "dihydrotestosterone", "target_label": "lidocaine", "cosine_similarity": 0.2199525237083435 } }, { "source": "CID:9705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "AY-9944-sertraline similarity", "source_label": "AY-9944", "target_label": "sertraline", "cosine_similarity": 0.4682832360267639 } }, { "source": "CID:25166913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11570626", "properties": { "id": "glasdegib-MK-0893 similarity", "source_label": "glasdegib", "target_label": "MK-0893", "cosine_similarity": 0.2844736278057098 } }, { "source": "CID:54658965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658969", "properties": { "id": "SA-1456352-SA-1457797 similarity", "source_label": "SA-1456352", "target_label": "SA-1457797", "cosine_similarity": 0.4265987575054168 } }, { "source": "CID:6604789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119584", "properties": { "id": "RS-56812-mosapride similarity", "source_label": "RS-56812", "target_label": "mosapride", "cosine_similarity": 0.3898108899593353 } }, { "source": "CID:6129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5918561", "properties": { "id": "carbaryl-ST-024029 similarity", "source_label": "carbaryl", "target_label": "ST-024029", "cosine_similarity": 0.2806237041950226 } }, { "source": "CID:8569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3132", "properties": { "id": "dioxybenzone-thiorphan similarity", "source_label": "dioxybenzone", "target_label": "thiorphan", "cosine_similarity": 0.2222200036048889 } }, { "source": "CID:4235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "moclobemide-cholic-acid similarity", "source_label": "moclobemide", "target_label": "cholic-acid", "cosine_similarity": 0.3316555321216583 } }, { "source": "CID:6249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4595", "properties": { "id": "ampicillin-ondansetron similarity", "source_label": "ampicillin", "target_label": "ondansetron", "cosine_similarity": 0.2797033488750458 } }, { "source": "CID:11822705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "BCL2-inhibitor-SA-792709 similarity", "source_label": "BCL2-inhibitor", "target_label": "SA-792709", "cosine_similarity": 0.5139935612678528 } }, { "source": "CID:11687907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3995234", "properties": { "id": "MSX-122-FGIN-1-43 similarity", "source_label": "MSX-122", "target_label": "FGIN-1-43", "cosine_similarity": 0.1908400654792785 } }, { "source": "CID:25171648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "EMD-1214063-cyclizine similarity", "source_label": "EMD-1214063", "target_label": "cyclizine", "cosine_similarity": 0.4295190870761871 } }, { "source": "CID:4167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "metixene-apafant similarity", "source_label": "metixene", "target_label": "apafant", "cosine_similarity": 0.3815553188323974 } }, { "source": "CID:24996872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "GSK-1292263-VX-222 similarity", "source_label": "GSK-1292263", "target_label": "VX-222", "cosine_similarity": 0.3028894066810608 } }, { "source": "CID:4728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "penicillic-acid-RS-I-002-6 similarity", "source_label": "penicillic-acid", "target_label": "RS-I-002-6", "cosine_similarity": 0.3815130889415741 } }, { "source": "CID:2345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "benzyl-benzoate-saxagliptin similarity", "source_label": "benzyl-benzoate", "target_label": "saxagliptin", "cosine_similarity": 0.1662109494209289 } }, { "source": "CID:16741245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77999", "properties": { "id": "AZD-7545-rosiglitazone similarity", "source_label": "AZD-7545", "target_label": "rosiglitazone", "cosine_similarity": 0.344829112291336 } }, { "source": "CID:24747194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "PSH-028-dubinidine similarity", "source_label": "PSH-028", "target_label": "dubinidine", "cosine_similarity": 0.4388105869293213 } }, { "source": "CID:441724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "delcorine-JZL-184 similarity", "source_label": "delcorine", "target_label": "JZL-184", "cosine_similarity": 0.2548204958438873 } }, { "source": "CID:4594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3478", "properties": { "id": "omeprazole-glipizide similarity", "source_label": "omeprazole", "target_label": "glipizide", "cosine_similarity": 0.3107999563217163 } }, { "source": "CID:3106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "dipropyl-dopamine-hydrocortisone-acetate similarity", "source_label": "dipropyl-dopamine", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3029209077358246 } }, { "source": "CID:5024764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "CGP-7930-L-689560 similarity", "source_label": "CGP-7930", "target_label": "L-689560", "cosine_similarity": 0.2419078052043914 } }, { "source": "CID:938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "niacin-CV-1808 similarity", "source_label": "niacin", "target_label": "CV-1808", "cosine_similarity": 0.3855677843093872 } }, { "source": "CID:24748573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11631681", "properties": { "id": "CX-4945-Ro-3306 similarity", "source_label": "CX-4945", "target_label": "Ro-3306", "cosine_similarity": 0.4160879254341125 } }, { "source": "CID:46216796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59588070", "properties": { "id": "pacritinib-JNK-9L similarity", "source_label": "pacritinib", "target_label": "JNK-9L", "cosine_similarity": 0.5195189118385315 } }, { "source": "CID:457964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6253", "properties": { "id": "aphidicolin-cytarabine similarity", "source_label": "aphidicolin", "target_label": "cytarabine", "cosine_similarity": 0.6068600416183472 } }, { "source": "CID:91668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:656665", "properties": { "id": "nomegestrol-acetate-tropisetron similarity", "source_label": "nomegestrol-acetate", "target_label": "tropisetron", "cosine_similarity": 0.2208167016506195 } }, { "source": "CID:216210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "dabigatran-CFM-2 similarity", "source_label": "dabigatran", "target_label": "CFM-2", "cosine_similarity": 0.2020211666822433 } }, { "source": "CID:132846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "L-733060-trifluoperazine similarity", "source_label": "L-733060", "target_label": "trifluoperazine", "cosine_similarity": 0.5139155387878418 } }, { "source": "CID:4139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135411", "properties": { "id": "methylene-blue-CD-437 similarity", "source_label": "methylene-blue", "target_label": "CD-437", "cosine_similarity": 0.3615620136260986 } }, { "source": "CID:42890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "idarubicin-teniposide similarity", "source_label": "idarubicin", "target_label": "teniposide", "cosine_similarity": 0.7663986086845398 } }, { "source": "CID:4552", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11705608", "properties": { "id": "NS-1619-APD-668 similarity", "source_label": "NS-1619", "target_label": "APD-668", "cosine_similarity": 0.1740566790103912 } }, { "source": "CID:24995524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "SNS-314-torin-1 similarity", "source_label": "SNS-314", "target_label": "torin-1", "cosine_similarity": 0.2618992030620575 } }, { "source": "CID:4369491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "PD-407824-AG-592 similarity", "source_label": "PD-407824", "target_label": "AG-592", "cosine_similarity": 0.567802906036377 } }, { "source": "CID:16759997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038", "properties": { "id": "cyanopindolol-diclofenamide similarity", "source_label": "cyanopindolol", "target_label": "diclofenamide", "cosine_similarity": 0.2455835342407226 } }, { "source": "CID:45489449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "VU-0415556-1-ISOX similarity", "source_label": "VU-0415556-1", "target_label": "ISOX", "cosine_similarity": 0.4921783804893493 } }, { "source": "CID:121878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "Y-26763-riociguat similarity", "source_label": "Y-26763", "target_label": "riociguat", "cosine_similarity": 0.4522450864315033 } }, { "source": "CID:72551585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "UNC-1999-tetrandrine similarity", "source_label": "UNC-1999", "target_label": "tetrandrine", "cosine_similarity": 0.5641916394233704 } }, { "source": "CID:46869940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "VU-0415374-1-myricetin similarity", "source_label": "VU-0415374-1", "target_label": "myricetin", "cosine_similarity": 0.3025400340557098 } }, { "source": "CID:6918638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "belinostat-dacinostat similarity", "source_label": "belinostat", "target_label": "dacinostat", "cosine_similarity": 0.8470606207847595 } }, { "source": "CID:11052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "orthothymotinic-acid-carprofen similarity", "source_label": "orthothymotinic-acid", "target_label": "carprofen", "cosine_similarity": 0.2395641505718231 } }, { "source": "CID:24737642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "LCL-161-aminoguanidine similarity", "source_label": "LCL-161", "target_label": "aminoguanidine", "cosine_similarity": 0.3896638453006744 } }, { "source": "CID:10291556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914273", "properties": { "id": "meloxicam-dantrolene similarity", "source_label": "meloxicam", "target_label": "dantrolene", "cosine_similarity": 0.3909573256969452 } }, { "source": "CID:9956145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "GGTI-297-erythrosine similarity", "source_label": "GGTI-297", "target_label": "erythrosine", "cosine_similarity": 0.244421124458313 } }, { "source": "CID:44483977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5052", "properties": { "id": "DM-55-3-mepireserpate similarity", "source_label": "DM-55-3", "target_label": "mepireserpate", "cosine_similarity": 0.5312013030052185 } }, { "source": "CID:12540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438900", "properties": { "id": "triphenyl-tin-JS-K similarity", "source_label": "triphenyl-tin", "target_label": "JS-K", "cosine_similarity": 0.2454481720924377 } }, { "source": "CID:46851313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23748533", "properties": { "id": "ABT-639-ML-3163 similarity", "source_label": "ABT-639", "target_label": "ML-3163", "cosine_similarity": 0.1527967602014541 } }, { "source": "CID:102614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92727", "properties": { "id": "dpn-lopinavir similarity", "source_label": "dpn", "target_label": "lopinavir", "cosine_similarity": 0.2094116508960724 } }, { "source": "CID:151172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "cariporide-castanospermine similarity", "source_label": "cariporide", "target_label": "castanospermine", "cosine_similarity": 0.3772856593132019 } }, { "source": "CID:135398506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265214", "properties": { "id": "SB-590885-QL-XI-92 similarity", "source_label": "SB-590885", "target_label": "QL-XI-92", "cosine_similarity": 0.3121882975101471 } }, { "source": "CID:159594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "atrasentan-bucladesine similarity", "source_label": "atrasentan", "target_label": "bucladesine", "cosine_similarity": 0.2706217467784881 } }, { "source": "CID:3792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "itopride-probucol similarity", "source_label": "itopride", "target_label": "probucol", "cosine_similarity": 0.3993470966815948 } }, { "source": "CID:5325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40634", "properties": { "id": "sulfamerazine-trolox similarity", "source_label": "sulfamerazine", "target_label": "trolox", "cosine_similarity": 0.285144180059433 } }, { "source": "CID:5329255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6759", "properties": { "id": "bis-tyrphostin-riboflavin similarity", "source_label": "bis-tyrphostin", "target_label": "riboflavin", "cosine_similarity": 0.2326185554265976 } }, { "source": "CID:4410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449215", "properties": { "id": "nadifloxacin-cycloserine similarity", "source_label": "nadifloxacin", "target_label": "cycloserine", "cosine_similarity": 0.2819741666316986 } }, { "source": "CID:178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "acetamide-carbon-tetrachloride similarity", "source_label": "acetamide", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.361861377954483 } }, { "source": "CID:71781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "MDL-11939-leu-enkephalin similarity", "source_label": "MDL-11939", "target_label": "leu-enkephalin", "cosine_similarity": 0.3643585443496704 } }, { "source": "CID:159324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "tipifarnib-P2-CAM-9-027-3 similarity", "source_label": "tipifarnib-P2", "target_label": "CAM-9-027-3", "cosine_similarity": 0.4341502487659454 } }, { "source": "CID:46700756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11955855", "properties": { "id": "LY-2606368-LY-2603618 similarity", "source_label": "LY-2606368", "target_label": "LY-2603618", "cosine_similarity": 0.4993629455566406 } }, { "source": "CID:3055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "diphenidol-S-18986 similarity", "source_label": "diphenidol", "target_label": "S-18986", "cosine_similarity": 0.5043255686759949 } }, { "source": "CID:5312531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "mead-acid-zebularine similarity", "source_label": "mead-acid", "target_label": "zebularine", "cosine_similarity": 0.2793516516685486 } }, { "source": "CID:9903757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71693", "properties": { "id": "BAY-36-7620-fomocaine similarity", "source_label": "BAY-36-7620", "target_label": "fomocaine", "cosine_similarity": 0.1914096623659134 } }, { "source": "CID:673465", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "evoxine-EMF-sumo1-6 similarity", "source_label": "evoxine", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.3439036905765533 } }, { "source": "CID:44640176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "KU-C104493-COL-3 similarity", "source_label": "KU-C104493", "target_label": "COL-3", "cosine_similarity": 0.4712623357772827 } }, { "source": "CID:3289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ethoprop-Gossypetin similarity", "source_label": "ethoprop", "target_label": "Gossypetin", "cosine_similarity": 0.2800614833831787 } }, { "source": "CID:2812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5042", "properties": { "id": "clotrimazole-rebamipide similarity", "source_label": "clotrimazole", "target_label": "rebamipide", "cosine_similarity": 0.429932951927185 } }, { "source": "CID:5154691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "NM-PP1-KU-C104248 similarity", "source_label": "NM-PP1", "target_label": "KU-C104248", "cosine_similarity": 0.4494293630123138 } }, { "source": "CID:3919910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "tubaic-acid-SA-419090 similarity", "source_label": "tubaic-acid", "target_label": "SA-419090", "cosine_similarity": 0.2485325932502746 } }, { "source": "CID:7638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "monobenzone-GR-127935 similarity", "source_label": "monobenzone", "target_label": "GR-127935", "cosine_similarity": 0.3217514753341675 } }, { "source": "CID:636403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "carbenoxolone-rizatriptan similarity", "source_label": "carbenoxolone", "target_label": "rizatriptan", "cosine_similarity": 0.3532312512397766 } }, { "source": "CID:67946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "fluoropyruvate-enzalutamide similarity", "source_label": "fluoropyruvate", "target_label": "enzalutamide", "cosine_similarity": 0.5610755085945129 } }, { "source": "CID:4363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "N-formylmethionylalanine-hydrocortisone-acetate similarity", "source_label": "N-formylmethionylalanine", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3481591343879699 } }, { "source": "CID:5281670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "morin-MW-STK33-4C similarity", "source_label": "morin", "target_label": "MW-STK33-4C", "cosine_similarity": 0.349692553281784 } }, { "source": "CID:443375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "devazepide-EMF-bca1-16 similarity", "source_label": "devazepide", "target_label": "EMF-bca1-16", "cosine_similarity": 0.526635468006134 } }, { "source": "CID:2765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "cirazoline-VX-745 similarity", "source_label": "cirazoline", "target_label": "VX-745", "cosine_similarity": 0.2255327850580215 } }, { "source": "CID:5453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "thiotepa-harmine similarity", "source_label": "thiotepa", "target_label": "harmine", "cosine_similarity": 0.3019995093345642 } }, { "source": "CID:4910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "proadifen-YK-4279 similarity", "source_label": "proadifen", "target_label": "YK-4279", "cosine_similarity": 0.2730143368244171 } }, { "source": "CID:4413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22152353", "properties": { "id": "nafamostat-ORG-9768 similarity", "source_label": "nafamostat", "target_label": "ORG-9768", "cosine_similarity": 0.4547906219959259 } }, { "source": "CID:20393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6129", "properties": { "id": "monoethylhexylphthalate-carbaryl similarity", "source_label": "monoethylhexylphthalate", "target_label": "carbaryl", "cosine_similarity": 0.2152731865644455 } }, { "source": "CID:44483269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2318", "properties": { "id": "atovaquone-benfluorex similarity", "source_label": "atovaquone", "target_label": "benfluorex", "cosine_similarity": 0.3518190085887909 } }, { "source": "CID:148195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5564", "properties": { "id": "lonafarnib-triclosan similarity", "source_label": "lonafarnib", "target_label": "triclosan", "cosine_similarity": 0.3142506778240204 } }, { "source": "CID:44503242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-244587-SA-424170 similarity", "source_label": "SA-244587", "target_label": "SA-424170", "cosine_similarity": 0.3093559443950653 } }, { "source": "CID:17748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "quinoclamine-NSC-95397 similarity", "source_label": "quinoclamine", "target_label": "NSC-95397", "cosine_similarity": 0.5489236116409302 } }, { "source": "CID:598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "mesna-Gossypetin similarity", "source_label": "mesna", "target_label": "Gossypetin", "cosine_similarity": 0.2773759067058563 } }, { "source": "CID:4302962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:166558", "properties": { "id": "AM-281-avasimibe similarity", "source_label": "AM-281", "target_label": "avasimibe", "cosine_similarity": 0.1545315533876419 } }, { "source": "CID:38853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760141", "properties": { "id": "methyldopa-moxidectin similarity", "source_label": "methyldopa", "target_label": "moxidectin", "cosine_similarity": 0.2859288454055786 } }, { "source": "CID:9828911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6917960", "properties": { "id": "anamorelin-KBG similarity", "source_label": "anamorelin", "target_label": "KBG", "cosine_similarity": 0.3684743046760559 } }, { "source": "CID:5329103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "SU-11652-bufalin similarity", "source_label": "SU-11652", "target_label": "bufalin", "cosine_similarity": 0.2717838287353515 } }, { "source": "CID:443423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "cromakalim-phenothiazine similarity", "source_label": "cromakalim", "target_label": "phenothiazine", "cosine_similarity": 0.2975474298000335 } }, { "source": "CID:6419753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "D-4476-clomipramine similarity", "source_label": "D-4476", "target_label": "clomipramine", "cosine_similarity": 0.4825439155101776 } }, { "source": "CID:4534086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "KB-R7943-SA-1921456 similarity", "source_label": "KB-R7943", "target_label": "SA-1921456", "cosine_similarity": 0.5762272477149963 } }, { "source": "CID:73707477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "pivmecillinam-tofacitinib similarity", "source_label": "pivmecillinam", "target_label": "tofacitinib", "cosine_similarity": 0.2899579107761383 } }, { "source": "CID:11689583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548953", "properties": { "id": "PSB-36-clomifene similarity", "source_label": "PSB-36", "target_label": "clomifene", "cosine_similarity": 0.3073172569274902 } }, { "source": "CID:4926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "promazine-BIBU-1361 similarity", "source_label": "promazine", "target_label": "BIBU-1361", "cosine_similarity": 0.5840060114860535 } }, { "source": "CID:5251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "sorbic-acid-amikacin similarity", "source_label": "sorbic-acid", "target_label": "amikacin", "cosine_similarity": 0.3506400883197784 } }, { "source": "CID:10947895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "paroxetine-hydrocortisone similarity", "source_label": "paroxetine", "target_label": "hydrocortisone", "cosine_similarity": 0.4853699207305908 } }, { "source": "CID:44208964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441029", "properties": { "id": "SDZ-NKT-343-fosfomycin similarity", "source_label": "SDZ-NKT-343", "target_label": "fosfomycin", "cosine_similarity": 0.2442745417356491 } }, { "source": "CID:44488994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "SA-89068-L-ergothioneine similarity", "source_label": "SA-89068", "target_label": "L-ergothioneine", "cosine_similarity": 0.3439216613769531 } }, { "source": "CID:6185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "strophanthidin-ouabain similarity", "source_label": "strophanthidin", "target_label": "ouabain", "cosine_similarity": 0.8162866830825806 } }, { "source": "CID:16126782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "HNHA-epicatechin similarity", "source_label": "HNHA", "target_label": "epicatechin", "cosine_similarity": 0.280888557434082 } }, { "source": "CID:73707545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918837", "properties": { "id": "BG-1028-panobinostat similarity", "source_label": "BG-1028", "target_label": "panobinostat", "cosine_similarity": 0.5163713097572327 } }, { "source": "CID:5712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "YC-1-SN-38 similarity", "source_label": "YC-1", "target_label": "SN-38", "cosine_similarity": 0.4025524258613586 } }, { "source": "CID:54658117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "SA-1457810-enzalutamide similarity", "source_label": "SA-1457810", "target_label": "enzalutamide", "cosine_similarity": 0.2936393618583679 } }, { "source": "CID:54656566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658632", "properties": { "id": "SA-1473405-SA-1456977 similarity", "source_label": "SA-1473405", "target_label": "SA-1456977", "cosine_similarity": 0.3425593376159668 } }, { "source": "CID:54654609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "SA-1463787-chloroquine similarity", "source_label": "SA-1463787", "target_label": "chloroquine", "cosine_similarity": 0.2820788323879242 } }, { "source": "CID:336423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155815", "properties": { "id": "TIC-10-varespladib similarity", "source_label": "TIC-10", "target_label": "varespladib", "cosine_similarity": 0.3950951099395752 } }, { "source": "CID:5467485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "AG-592-puromycin similarity", "source_label": "AG-592", "target_label": "puromycin", "cosine_similarity": 0.6882811188697815 } }, { "source": "CID:24747230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "UTMB-00042-TUL-XX025TFA similarity", "source_label": "UTMB-00042", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.1951957046985626 } }, { "source": "CID:491941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "pritelivir-saxagliptin similarity", "source_label": "pritelivir", "target_label": "saxagliptin", "cosine_similarity": 0.5546049475669861 } }, { "source": "CID:16759169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "ACDPP-amidopyrine similarity", "source_label": "ACDPP", "target_label": "amidopyrine", "cosine_similarity": 0.3999280333518982 } }, { "source": "CID:5282593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "homatropine-APO-866 similarity", "source_label": "homatropine", "target_label": "APO-866", "cosine_similarity": 0.2650834321975708 } }, { "source": "CID:457193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9799509", "properties": { "id": "dactinomycin-ER-27319 similarity", "source_label": "dactinomycin", "target_label": "ER-27319", "cosine_similarity": 0.8250925540924072 } }, { "source": "CID:54617432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-424380-SA-1921816 similarity", "source_label": "SA-424380", "target_label": "SA-1921816", "cosine_similarity": 0.2829183936119079 } }, { "source": "CID:121892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18381", "properties": { "id": "retigabine-dicloxacillin similarity", "source_label": "retigabine", "target_label": "dicloxacillin", "cosine_similarity": 0.2761209011077881 } }, { "source": "CID:154059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "solifenacin-succinate-cabozantinib similarity", "source_label": "solifenacin-succinate", "target_label": "cabozantinib", "cosine_similarity": 0.2719568908214569 } }, { "source": "CID:44497649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "SD-6-035-A8-pemoline similarity", "source_label": "SD-6-035-A8", "target_label": "pemoline", "cosine_similarity": 0.3133925795555115 } }, { "source": "CID:33032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14113", "properties": { "id": "L-glutamic-acid-fenigam similarity", "source_label": "L-glutamic-acid", "target_label": "fenigam", "cosine_similarity": 0.2238452285528183 } }, { "source": "CID:73707595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707606", "properties": { "id": "avicin-d-oxetane similarity", "source_label": "avicin-d", "target_label": "oxetane", "cosine_similarity": 0.6253108382225037 } }, { "source": "CID:5281727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53358942", "properties": { "id": "pterostilbene-RG-7388 similarity", "source_label": "pterostilbene", "target_label": "RG-7388", "cosine_similarity": 0.3889609575271606 } }, { "source": "CID:3505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8362", "properties": { "id": "GR-89696-homosalate similarity", "source_label": "GR-89696", "target_label": "homosalate", "cosine_similarity": 0.2269714772701263 } }, { "source": "CID:6435901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038", "properties": { "id": "linoleamide-diclofenamide similarity", "source_label": "linoleamide", "target_label": "diclofenamide", "cosine_similarity": 0.2935099005699157 } }, { "source": "CID:441289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488751", "properties": { "id": "pancuronium-SA-422830 similarity", "source_label": "pancuronium", "target_label": "SA-422830", "cosine_similarity": 0.2172354757785797 } }, { "source": "CID:3784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "isradipine-EX-527 similarity", "source_label": "isradipine", "target_label": "EX-527", "cosine_similarity": 0.4327352643013 } }, { "source": "CID:23633604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "LX-1031-glimepiride similarity", "source_label": "LX-1031", "target_label": "glimepiride", "cosine_similarity": 0.3053272366523742 } }, { "source": "CID:444008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "tibolone-lodoxamide similarity", "source_label": "tibolone", "target_label": "lodoxamide", "cosine_similarity": 0.4283559620380401 } }, { "source": "CID:54660617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489343", "properties": { "id": "SA-1457458-SA-425929 similarity", "source_label": "SA-1457458", "target_label": "SA-425929", "cosine_similarity": 0.2480302602052688 } }, { "source": "CID:3213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50515", "properties": { "id": "ellipticine-amonafide similarity", "source_label": "ellipticine", "target_label": "amonafide", "cosine_similarity": 0.4622792899608612 } }, { "source": "CID:178024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6466", "properties": { "id": "ibutamoren-MD-920 similarity", "source_label": "ibutamoren", "target_label": "MD-920", "cosine_similarity": 0.4373815357685089 } }, { "source": "CID:46911863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67135703", "properties": { "id": "JNJ-38877605-KIN001-260 similarity", "source_label": "JNJ-38877605", "target_label": "KIN001-260", "cosine_similarity": 0.5387163758277893 } }, { "source": "CID:159594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "atrasentan-nateglinide similarity", "source_label": "atrasentan", "target_label": "nateglinide", "cosine_similarity": 0.2798128724098205 } }, { "source": "CID:2785467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "ARG-A1-2-NSC-3852 similarity", "source_label": "ARG-A1-2", "target_label": "NSC-3852", "cosine_similarity": 0.381689578294754 } }, { "source": "CID:4634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "oxybutynin-methazolamide similarity", "source_label": "oxybutynin", "target_label": "methazolamide", "cosine_similarity": 0.3105246722698211 } }, { "source": "CID:9872740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11207937", "properties": { "id": "L-692585-TMPH similarity", "source_label": "L-692585", "target_label": "TMPH", "cosine_similarity": 0.2943455576896667 } }, { "source": "CID:2200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "antazoline-alaproclate similarity", "source_label": "antazoline", "target_label": "alaproclate", "cosine_similarity": 0.1972437798976898 } }, { "source": "CID:9934347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "NVP-TAE226-ZSTK-474 similarity", "source_label": "NVP-TAE226", "target_label": "ZSTK-474", "cosine_similarity": 0.5835506319999695 } }, { "source": "CID:44629744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "KU-C104248-ifosfamide similarity", "source_label": "KU-C104248", "target_label": "ifosfamide", "cosine_similarity": 0.6055224537849426 } }, { "source": "CID:5742673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3998", "properties": { "id": "cefotaxime-mafenide similarity", "source_label": "cefotaxime", "target_label": "mafenide", "cosine_similarity": 0.3187600672245025 } }, { "source": "CID:11556711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "carfilzomib-oprozomib similarity", "source_label": "carfilzomib", "target_label": "oprozomib", "cosine_similarity": 0.6355050802230835 } }, { "source": "CID:135999136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "AT-CSC-18-vemurafenib similarity", "source_label": "AT-CSC-18", "target_label": "vemurafenib", "cosine_similarity": 0.4417549669742584 } }, { "source": "CID:3906779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3117", "properties": { "id": "Ro-106-9920-disulfiram similarity", "source_label": "Ro-106-9920", "target_label": "disulfiram", "cosine_similarity": 0.4640623033046722 } }, { "source": "CID:1401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "PD-173074-cyclosporin-a similarity", "source_label": "PD-173074", "target_label": "cyclosporin-a", "cosine_similarity": 0.4787632822990417 } }, { "source": "CID:2378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449381", "properties": { "id": "bifonazole-oseltamivir-carboxylate similarity", "source_label": "bifonazole", "target_label": "oseltamivir-carboxylate", "cosine_similarity": 0.3711345493793487 } }, { "source": "CID:4740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388962", "properties": { "id": "pentoxifylline-enalapril similarity", "source_label": "pentoxifylline", "target_label": "enalapril", "cosine_similarity": 0.421574205160141 } }, { "source": "CID:4817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "pifithrin-alpha-APO-866 similarity", "source_label": "pifithrin-alpha", "target_label": "APO-866", "cosine_similarity": 0.4766549170017242 } }, { "source": "CID:5126051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "CPCCOEt-phenothiazine similarity", "source_label": "CPCCOEt", "target_label": "phenothiazine", "cosine_similarity": 0.2629532217979431 } }, { "source": "CID:444025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "loteprednol-dexamethasone similarity", "source_label": "loteprednol", "target_label": "dexamethasone", "cosine_similarity": 0.3045572340488434 } }, { "source": "CID:57340671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "JWE-035-XMD-1150 similarity", "source_label": "JWE-035", "target_label": "XMD-1150", "cosine_similarity": 0.6131309270858765 } }, { "source": "CID:15478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "digoxigenin-proscillaridin similarity", "source_label": "digoxigenin", "target_label": "proscillaridin", "cosine_similarity": 0.6816591620445251 } }, { "source": "CID:135564558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "PF-04447943-E-2012 similarity", "source_label": "PF-04447943", "target_label": "E-2012", "cosine_similarity": 0.364806592464447 } }, { "source": "CID:44516953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "PF-05212384-NVP-BEZ235 similarity", "source_label": "PF-05212384", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6838162541389465 } }, { "source": "CID:2183264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:695347", "properties": { "id": "MW-STK33-3A-ST-4039884 similarity", "source_label": "MW-STK33-3A", "target_label": "ST-4039884", "cosine_similarity": 0.2437353134155273 } }, { "source": "CID:24775005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "sonidegib-trifluoperazine similarity", "source_label": "sonidegib", "target_label": "trifluoperazine", "cosine_similarity": 0.4034874141216278 } }, { "source": "CID:4756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "phenazopyridine-BMS-754807 similarity", "source_label": "phenazopyridine", "target_label": "BMS-754807", "cosine_similarity": 0.300258994102478 } }, { "source": "CID:4054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "memantine-SAL-1 similarity", "source_label": "memantine", "target_label": "SAL-1", "cosine_similarity": 0.2570624947547912 } }, { "source": "CID:44488016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "SA-94315-AR-A014418 similarity", "source_label": "SA-94315", "target_label": "AR-A014418", "cosine_similarity": 0.2679618000984192 } }, { "source": "CID:442897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "dubinidine-JAS07-006 similarity", "source_label": "dubinidine", "target_label": "JAS07-006", "cosine_similarity": 0.524371862411499 } }, { "source": "CID:54614567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "SA-441181-SA-441412 similarity", "source_label": "SA-441181", "target_label": "SA-441412", "cosine_similarity": 0.3641626238822937 } }, { "source": "CID:45375953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "MLN-0128-WYE-125132 similarity", "source_label": "MLN-0128", "target_label": "WYE-125132", "cosine_similarity": 0.8231813907623291 } }, { "source": "CID:54685921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654232", "properties": { "id": "hispidin-SA-1463785 similarity", "source_label": "hispidin", "target_label": "SA-1463785", "cosine_similarity": 0.2280096262693405 } }, { "source": "CID:5281750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "seneciphylline-carbamazepine similarity", "source_label": "seneciphylline", "target_label": "carbamazepine", "cosine_similarity": 0.3239534497261047 } }, { "source": "CID:198693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4170", "properties": { "id": "CI-966-metolazone similarity", "source_label": "CI-966", "target_label": "metolazone", "cosine_similarity": 0.4368933439254761 } }, { "source": "CID:3739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "adipiodone-FTI-276 similarity", "source_label": "adipiodone", "target_label": "FTI-276", "cosine_similarity": 0.2838566601276397 } }, { "source": "CID:54657730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1458450-SA-101686 similarity", "source_label": "SA-1458450", "target_label": "SA-101686", "cosine_similarity": 0.3479177057743072 } }, { "source": "CID:70311789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "LGX-818-I-BET-151 similarity", "source_label": "LGX-818", "target_label": "I-BET-151", "cosine_similarity": 0.5507633686065674 } }, { "source": "CID:673465", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "evoxine-zebularine similarity", "source_label": "evoxine", "target_label": "zebularine", "cosine_similarity": 0.3256016969680786 } }, { "source": "CID:3780913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "ST-019386-phenothiazine similarity", "source_label": "ST-019386", "target_label": "phenothiazine", "cosine_similarity": 0.2350953817367553 } }, { "source": "CID:4923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918305", "properties": { "id": "proguanil-ganaxolone similarity", "source_label": "proguanil", "target_label": "ganaxolone", "cosine_similarity": 0.3410220742225647 } }, { "source": "CID:129010088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131536", "properties": { "id": "bilobalide-fosamprenavir similarity", "source_label": "bilobalide", "target_label": "fosamprenavir", "cosine_similarity": 0.266607403755188 } }, { "source": "CID:44631784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "VU-0410183-2-VU-0418939-2 similarity", "source_label": "VU-0410183-2", "target_label": "VU-0418939-2", "cosine_similarity": 0.9274758696556092 } }, { "source": "CID:18343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "doxifluridine-levofloxacin similarity", "source_label": "doxifluridine", "target_label": "levofloxacin", "cosine_similarity": 0.3061265647411346 } }, { "source": "CID:6127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "diphemanil-T-5345967 similarity", "source_label": "diphemanil", "target_label": "T-5345967", "cosine_similarity": 0.2791222035884857 } }, { "source": "CID:3339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "fenofibrate-SD-6-035-A8 similarity", "source_label": "fenofibrate", "target_label": "SD-6-035-A8", "cosine_similarity": 0.2667215168476105 } }, { "source": "CID:16061185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "mead-ethanolamide-sildenafil similarity", "source_label": "mead-ethanolamide", "target_label": "sildenafil", "cosine_similarity": 0.3190828263759613 } }, { "source": "CID:3032818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006145", "properties": { "id": "naproxol-hydrocortisone-valerate similarity", "source_label": "naproxol", "target_label": "hydrocortisone-valerate", "cosine_similarity": 0.2523891627788543 } }, { "source": "CID:629852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "BML-257-FTI-276 similarity", "source_label": "BML-257", "target_label": "FTI-276", "cosine_similarity": 0.2405605316162109 } }, { "source": "CID:833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "L-citrulline-methazolamide similarity", "source_label": "L-citrulline", "target_label": "methazolamide", "cosine_similarity": 0.3983608186244964 } }, { "source": "CID:51346455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "PF-03814735-MEK-162 similarity", "source_label": "PF-03814735", "target_label": "MEK-162", "cosine_similarity": 0.4125334918498993 } }, { "source": "CID:3078519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "7-hydroxystaurosporine-sertraline similarity", "source_label": "7-hydroxystaurosporine", "target_label": "sertraline", "cosine_similarity": 0.3355154395103454 } }, { "source": "CID:3476986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "blebbistatin-fostamatinib similarity", "source_label": "blebbistatin", "target_label": "fostamatinib", "cosine_similarity": 0.440485417842865 } }, { "source": "CID:54676535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369129", "properties": { "id": "scandenin-kavain similarity", "source_label": "scandenin", "target_label": "kavain", "cosine_similarity": 0.2091183364391327 } }, { "source": "CID:689043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "caffeic-acid-AG-592 similarity", "source_label": "caffeic-acid", "target_label": "AG-592", "cosine_similarity": 0.5748046040534973 } }, { "source": "CID:101616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "lobeline-MW-STK33-4C similarity", "source_label": "lobeline", "target_label": "MW-STK33-4C", "cosine_similarity": 0.248465210199356 } }, { "source": "CID:44504286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-102042-SA-96816 similarity", "source_label": "SA-102042", "target_label": "SA-96816", "cosine_similarity": 0.3442893922328949 } }, { "source": "CID:3081361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "vandetanib-saracatinib similarity", "source_label": "vandetanib", "target_label": "saracatinib", "cosine_similarity": 0.6205158829689026 } }, { "source": "CID:4756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "phenazopyridine-PP-110 similarity", "source_label": "phenazopyridine", "target_label": "PP-110", "cosine_similarity": 0.3091638088226318 } }, { "source": "CID:16747776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "CHEMBL-399379-salermide similarity", "source_label": "CHEMBL-399379", "target_label": "salermide", "cosine_similarity": 0.5492507815361023 } }, { "source": "CID:44484592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "SA-424534-SA-1919345 similarity", "source_label": "SA-424534", "target_label": "SA-1919345", "cosine_similarity": 0.299944669008255 } }, { "source": "CID:681615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4624", "properties": { "id": "KDM-096-oxidopamine similarity", "source_label": "KDM-096", "target_label": "oxidopamine", "cosine_similarity": 0.2205022126436233 } }, { "source": "CID:11373846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "GSK-429286A-cabozantinib similarity", "source_label": "GSK-429286A", "target_label": "cabozantinib", "cosine_similarity": 0.3944081664085388 } }, { "source": "CID:2265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "azathioprine-GW-501516 similarity", "source_label": "azathioprine", "target_label": "GW-501516", "cosine_similarity": 0.3872234225273132 } }, { "source": "CID:10687292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "cytosporone-b-fluoropyruvate similarity", "source_label": "cytosporone-b", "target_label": "fluoropyruvate", "cosine_similarity": 0.5379839539527893 } }, { "source": "CID:4021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2907", "properties": { "id": "edaravone-cyclophosphamide similarity", "source_label": "edaravone", "target_label": "cyclophosphamide", "cosine_similarity": 0.4114008843898773 } }, { "source": "CID:44607977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "KU-C104145-tofacitinib similarity", "source_label": "KU-C104145", "target_label": "tofacitinib", "cosine_similarity": 0.3033093810081482 } }, { "source": "CID:104758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "raltitrexed-cladribine similarity", "source_label": "raltitrexed", "target_label": "cladribine", "cosine_similarity": 0.6166208982467651 } }, { "source": "CID:44143698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "KU-C103420N-triprolidine similarity", "source_label": "KU-C103420N", "target_label": "triprolidine", "cosine_similarity": 0.23812036216259 } }, { "source": "CID:11626560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "crizotinib-ceritinib similarity", "source_label": "crizotinib", "target_label": "ceritinib", "cosine_similarity": 0.6154450178146362 } }, { "source": "CID:10742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "syringic-acid-dropropizine similarity", "source_label": "syringic-acid", "target_label": "dropropizine", "cosine_similarity": 0.4715574383735657 } }, { "source": "CID:1981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11326715", "properties": { "id": "acemetacin-ostarine similarity", "source_label": "acemetacin", "target_label": "ostarine", "cosine_similarity": 0.269879400730133 } }, { "source": "CID:127382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "Ro-19-4605-PT-630 similarity", "source_label": "Ro-19-4605", "target_label": "PT-630", "cosine_similarity": 0.2513385117053985 } }, { "source": "CID:1544274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "EMF-sumo1-4-rolipram similarity", "source_label": "EMF-sumo1-4", "target_label": "rolipram", "cosine_similarity": 0.3591253161430359 } }, { "source": "CID:1417813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "MW-STK33-1A-Y-27632 similarity", "source_label": "MW-STK33-1A", "target_label": "Y-27632", "cosine_similarity": 0.3044005930423736 } }, { "source": "CID:6070589", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5273569", "properties": { "id": "BAS-09104376-fraxetin similarity", "source_label": "BAS-09104376", "target_label": "fraxetin", "cosine_similarity": 0.2308275252580642 } }, { "source": "CID:54660174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-1458610-SA-89763 similarity", "source_label": "SA-1458610", "target_label": "SA-89763", "cosine_similarity": 0.4744707643985748 } }, { "source": "CID:440936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "arbutin-sodium-gualenate similarity", "source_label": "arbutin", "target_label": "sodium-gualenate", "cosine_similarity": 0.4081153869628906 } }, { "source": "CID:336423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288320", "properties": { "id": "TIC-10-topiroxostat similarity", "source_label": "TIC-10", "target_label": "topiroxostat", "cosine_similarity": 0.3748416304588318 } }, { "source": "CID:6610350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "SB-203580-SB-239063 similarity", "source_label": "SB-203580", "target_label": "SB-239063", "cosine_similarity": 0.5535744428634644 } }, { "source": "CID:16666708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "AZD-8330-AZ-628 similarity", "source_label": "AZD-8330", "target_label": "AZ-628", "cosine_similarity": 0.7544682621955872 } }, { "source": "CID:6843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "propoxycaine-gossypin similarity", "source_label": "propoxycaine", "target_label": "gossypin", "cosine_similarity": 0.3242180347442627 } }, { "source": "CID:118176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "centpropazine-imatinib similarity", "source_label": "centpropazine", "target_label": "imatinib", "cosine_similarity": 0.2334150373935699 } }, { "source": "CID:3287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23789067", "properties": { "id": "ethionamide-sisomicin similarity", "source_label": "ethionamide", "target_label": "sisomicin", "cosine_similarity": 0.2152236700057983 } }, { "source": "CID:72703790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "EGF-816-FIT similarity", "source_label": "EGF-816", "target_label": "FIT", "cosine_similarity": 0.4053516983985901 } }, { "source": "CID:194138", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708684", "properties": { "id": "EHPG-piperazine-scopoline similarity", "source_label": "EHPG-piperazine", "target_label": "scopoline", "cosine_similarity": 0.178064614534378 } }, { "source": "CID:3517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4830", "properties": { "id": "guanabenz-pipamperone similarity", "source_label": "guanabenz", "target_label": "pipamperone", "cosine_similarity": 0.417163223028183 } }, { "source": "CID:5780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "mannitol-D-actarit similarity", "source_label": "mannitol-D", "target_label": "actarit", "cosine_similarity": 0.3921128809452057 } }, { "source": "CID:24747188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143700", "properties": { "id": "JAS07-002-KUC103424N similarity", "source_label": "JAS07-002", "target_label": "KUC103424N", "cosine_similarity": 0.2442852705717086 } }, { "source": "CID:3489614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "CGP-54626-harmine similarity", "source_label": "CGP-54626", "target_label": "harmine", "cosine_similarity": 0.3045253157615661 } }, { "source": "CID:23725625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "olaparib-floxuridine similarity", "source_label": "olaparib", "target_label": "floxuridine", "cosine_similarity": 0.3870477080345154 } }, { "source": "CID:9687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "bucladesine-saxagliptin similarity", "source_label": "bucladesine", "target_label": "saxagliptin", "cosine_similarity": 0.5216200351715088 } }, { "source": "CID:2794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "clofazimine-niclosamide similarity", "source_label": "clofazimine", "target_label": "niclosamide", "cosine_similarity": 0.3064021170139313 } }, { "source": "CID:9966051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "vortioxetine-vinpocetine similarity", "source_label": "vortioxetine", "target_label": "vinpocetine", "cosine_similarity": 0.5430312156677246 } }, { "source": "CID:10212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4684627", "properties": { "id": "imperatorin-RWJ-21757 similarity", "source_label": "imperatorin", "target_label": "RWJ-21757", "cosine_similarity": 0.2559303939342499 } }, { "source": "CID:2805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "cloperastine-proxyphylline similarity", "source_label": "cloperastine", "target_label": "proxyphylline", "cosine_similarity": 0.2676754295825958 } }, { "source": "CID:136238508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2415", "properties": { "id": "rifapentine-BML-190 similarity", "source_label": "rifapentine", "target_label": "BML-190", "cosine_similarity": 0.2429563850164413 } }, { "source": "CID:5318433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "indirubin-grazoprevir similarity", "source_label": "indirubin", "target_label": "grazoprevir", "cosine_similarity": 0.4080041646957397 } }, { "source": "CID:6697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "benzanthrone-cortisone-acetate similarity", "source_label": "benzanthrone", "target_label": "cortisone-acetate", "cosine_similarity": 0.2902228534221649 } }, { "source": "CID:5702031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "danazol-honokiol similarity", "source_label": "danazol", "target_label": "honokiol", "cosine_similarity": 0.4337362349033355 } }, { "source": "CID:4203080", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "L-655708-SA-419090 similarity", "source_label": "L-655708", "target_label": "SA-419090", "cosine_similarity": 0.2870536744594574 } }, { "source": "CID:1282817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "KUC104240N-CS-2092524 similarity", "source_label": "KUC104240N", "target_label": "CS-2092524", "cosine_similarity": 0.2208959460258484 } }, { "source": "CID:9888590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "HMN-214-NMS-1286937 similarity", "source_label": "HMN-214", "target_label": "NMS-1286937", "cosine_similarity": 0.8091161847114563 } }, { "source": "CID:77999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "rosiglitazone-sodium-gualenate similarity", "source_label": "rosiglitazone", "target_label": "sodium-gualenate", "cosine_similarity": 0.382209450006485 } }, { "source": "CID:11387409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "oglemilast-ibutamoren similarity", "source_label": "oglemilast", "target_label": "ibutamoren", "cosine_similarity": 0.3051242530345917 } }, { "source": "CID:3033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "diclofenac-entecavir similarity", "source_label": "diclofenac", "target_label": "entecavir", "cosine_similarity": 0.3761335611343384 } }, { "source": "CID:1383884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10436840", "properties": { "id": "URB-597-NH-125 similarity", "source_label": "URB-597", "target_label": "NH-125", "cosine_similarity": 0.2690881788730621 } }, { "source": "CID:3894573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "RS-17053-terfenadine similarity", "source_label": "RS-17053", "target_label": "terfenadine", "cosine_similarity": 0.7911810278892517 } }, { "source": "CID:9918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71277", "properties": { "id": "norcyclobenzaprine-erythromycin-estolate similarity", "source_label": "norcyclobenzaprine", "target_label": "erythromycin-estolate", "cosine_similarity": 0.2717272043228149 } }, { "source": "CID:44494000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-243423-SA-441487 similarity", "source_label": "SA-243423", "target_label": "SA-441487", "cosine_similarity": 0.3263815939426422 } }, { "source": "CID:66377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "edoxudine-levocabastine similarity", "source_label": "edoxudine", "target_label": "levocabastine", "cosine_similarity": 0.2598158419132232 } }, { "source": "CID:20864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "ST-91-SA-417716 similarity", "source_label": "ST-91", "target_label": "SA-417716", "cosine_similarity": 0.2438441962003708 } }, { "source": "CID:60726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702135", "properties": { "id": "bromfenac-strychnine similarity", "source_label": "bromfenac", "target_label": "strychnine", "cosine_similarity": 0.2900037765502929 } }, { "source": "CID:262093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "NSC-95397-NSC-3852 similarity", "source_label": "NSC-95397", "target_label": "NSC-3852", "cosine_similarity": 0.6724965572357178 } }, { "source": "CID:16760312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "inhibitor-BEC-resveratrol similarity", "source_label": "inhibitor-BEC", "target_label": "resveratrol", "cosine_similarity": 0.3840465247631073 } }, { "source": "CID:2176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "ampiroxicam-SA-1457810 similarity", "source_label": "ampiroxicam", "target_label": "SA-1457810", "cosine_similarity": 0.1682408154010772 } }, { "source": "CID:4754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "phenacetin-GNF-2 similarity", "source_label": "phenacetin", "target_label": "GNF-2", "cosine_similarity": 0.2636849582195282 } }, { "source": "CID:1370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "CX-516-pritelivir similarity", "source_label": "CX-516", "target_label": "pritelivir", "cosine_similarity": 0.3937183618545532 } }, { "source": "CID:1317466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "SJ-172550-ASN-05257430 similarity", "source_label": "SJ-172550", "target_label": "ASN-05257430", "cosine_similarity": 0.4926128089427948 } }, { "source": "CID:14973220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "SD-169-parecoxib similarity", "source_label": "SD-169", "target_label": "parecoxib", "cosine_similarity": 0.2472067922353744 } }, { "source": "CID:161591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "chaetocin-manumycin-a similarity", "source_label": "chaetocin", "target_label": "manumycin-a", "cosine_similarity": 0.5811975598335266 } }, { "source": "CID:60193939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "SA-1939915-SA-1458026 similarity", "source_label": "SA-1939915", "target_label": "SA-1458026", "cosine_similarity": 0.2902839183807373 } }, { "source": "CID:1013376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "tenovins-teniposide similarity", "source_label": "tenovins", "target_label": "teniposide", "cosine_similarity": 0.3067111372947693 } }, { "source": "CID:9850876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "SR-33805-cholic-acid similarity", "source_label": "SR-33805", "target_label": "cholic-acid", "cosine_similarity": 0.500662624835968 } }, { "source": "CID:5284583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "levetiracetam-saxagliptin similarity", "source_label": "levetiracetam", "target_label": "saxagliptin", "cosine_similarity": 0.4223800003528595 } }, { "source": "CID:44500308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-243193-SA-1921996 similarity", "source_label": "SA-243193", "target_label": "SA-1921996", "cosine_similarity": 0.2480669617652893 } }, { "source": "CID:25227436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "AZD-5363-AZD-8055 similarity", "source_label": "AZD-5363", "target_label": "AZD-8055", "cosine_similarity": 0.7050474286079407 } }, { "source": "CID:135560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "EMF-csc-9-zolpidem similarity", "source_label": "EMF-csc-9", "target_label": "zolpidem", "cosine_similarity": 0.4248653352260589 } }, { "source": "CID:5312529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16112820", "properties": { "id": "eicosatrienoic-acid-neurodazine similarity", "source_label": "eicosatrienoic-acid", "target_label": "neurodazine", "cosine_similarity": 0.3108366727828979 } }, { "source": "CID:4452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "nemonapride-saxagliptin similarity", "source_label": "nemonapride", "target_label": "saxagliptin", "cosine_similarity": 0.5317284464836121 } }, { "source": "CID:5329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "sulfamethoxazole-thalidomide similarity", "source_label": "sulfamethoxazole", "target_label": "thalidomide", "cosine_similarity": 0.2282386720180511 } }, { "source": "CID:698112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "AEG-3482-parthenolide similarity", "source_label": "AEG-3482", "target_label": "parthenolide", "cosine_similarity": 0.4255363345146179 } }, { "source": "CID:213040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29985980", "properties": { "id": "dofequidar-norgestrel similarity", "source_label": "dofequidar", "target_label": "norgestrel", "cosine_similarity": 0.434018462896347 } }, { "source": "CID:11773081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "norgestimate-SA-792709 similarity", "source_label": "norgestimate", "target_label": "SA-792709", "cosine_similarity": 0.3416238129138946 } }, { "source": "CID:11848225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6256", "properties": { "id": "cebranopadol-trifluridine similarity", "source_label": "cebranopadol", "target_label": "trifluridine", "cosine_similarity": 0.3466024696826935 } }, { "source": "CID:9782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "betamethasone-rimexolone similarity", "source_label": "betamethasone", "target_label": "rimexolone", "cosine_similarity": 0.4928697049617767 } }, { "source": "CID:11167602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "regorafenib-HG-6-64-01 similarity", "source_label": "regorafenib", "target_label": "HG-6-64-01", "cosine_similarity": 0.4921849370002746 } }, { "source": "CID:44483164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "KU-C103853-cerulenin similarity", "source_label": "KU-C103853", "target_label": "cerulenin", "cosine_similarity": 0.3413033187389374 } }, { "source": "CID:73707482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49766518", "properties": { "id": "vancomycin-TL-HRAS-24 similarity", "source_label": "vancomycin", "target_label": "TL-HRAS-24", "cosine_similarity": 0.1957588940858841 } }, { "source": "CID:448042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "Y-27632-rolipram similarity", "source_label": "Y-27632", "target_label": "rolipram", "cosine_similarity": 0.4761350750923157 } }, { "source": "CID:44907124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "VU-0413247-1-RS-17053 similarity", "source_label": "VU-0413247-1", "target_label": "RS-17053", "cosine_similarity": 0.2467664927244186 } }, { "source": "CID:5517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:328236", "properties": { "id": "tosufloxacin-heraclenol similarity", "source_label": "tosufloxacin", "target_label": "heraclenol", "cosine_similarity": 0.2503543496131897 } }, { "source": "CID:73707583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956145", "properties": { "id": "PD-149163-GGTI-297 similarity", "source_label": "PD-149163", "target_label": "GGTI-297", "cosine_similarity": 0.161478191614151 } }, { "source": "CID:44618378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "SA-424170-BG-1023 similarity", "source_label": "SA-424170", "target_label": "BG-1023", "cosine_similarity": 0.310759574174881 } }, { "source": "CID:11977753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "NVP-BEZ235-MLN-0128 similarity", "source_label": "NVP-BEZ235", "target_label": "MLN-0128", "cosine_similarity": 0.9216917157173156 } }, { "source": "CID:23760717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "CA-074-Me-SA-1447005 similarity", "source_label": "CA-074-Me", "target_label": "SA-1447005", "cosine_similarity": 0.595849335193634 } }, { "source": "CID:73707376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "DC-45-A2-pemetrexed similarity", "source_label": "DC-45-A2", "target_label": "pemetrexed", "cosine_similarity": 0.5169039368629456 } }, { "source": "CID:16654980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "buparlisib-OSI-027 similarity", "source_label": "buparlisib", "target_label": "OSI-027", "cosine_similarity": 0.7337390184402466 } }, { "source": "CID:644215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "CGP-60474-dinaciclib similarity", "source_label": "CGP-60474", "target_label": "dinaciclib", "cosine_similarity": 0.8361461758613586 } }, { "source": "CID:10521421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44240264", "properties": { "id": "10-DEBC-SRT-1720 similarity", "source_label": "10-DEBC", "target_label": "SRT-1720", "cosine_similarity": 0.4747759699821472 } }, { "source": "CID:9615346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "cefepime-conivaptan similarity", "source_label": "cefepime", "target_label": "conivaptan", "cosine_similarity": 0.4753127694129944 } }, { "source": "CID:5344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "sulfafurazole-tirasemtiv similarity", "source_label": "sulfafurazole", "target_label": "tirasemtiv", "cosine_similarity": 0.3108185231685638 } }, { "source": "CID:31553", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "silibinin-EX-527 similarity", "source_label": "silibinin", "target_label": "EX-527", "cosine_similarity": 0.2603616118431091 } }, { "source": "CID:3671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "ibudilast-topiramate similarity", "source_label": "ibudilast", "target_label": "topiramate", "cosine_similarity": 0.3019108176231384 } }, { "source": "CID:3902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "letrozole-cholic-acid similarity", "source_label": "letrozole", "target_label": "cholic-acid", "cosine_similarity": 0.475053459405899 } }, { "source": "CID:1560402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "SMER-28-AT-CSC-18 similarity", "source_label": "SMER-28", "target_label": "AT-CSC-18", "cosine_similarity": 0.3940903544425964 } }, { "source": "CID:192706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "phenserine-perzinfotel similarity", "source_label": "phenserine", "target_label": "perzinfotel", "cosine_similarity": 0.267333447933197 } }, { "source": "CID:5361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "suramin-LY-255283 similarity", "source_label": "suramin", "target_label": "LY-255283", "cosine_similarity": 0.2866150140762329 } }, { "source": "CID:4212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "mitoxantrone-daunorubicin similarity", "source_label": "mitoxantrone", "target_label": "daunorubicin", "cosine_similarity": 0.8445656299591064 } }, { "source": "CID:44632017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "YK-4279-APO-866 similarity", "source_label": "YK-4279", "target_label": "APO-866", "cosine_similarity": 0.5121699571609497 } }, { "source": "CID:775191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "DAC-012-SAL-1 similarity", "source_label": "DAC-012", "target_label": "SAL-1", "cosine_similarity": 0.3907626867294311 } }, { "source": "CID:6334600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "hyoscyamine-amisulpride similarity", "source_label": "hyoscyamine", "target_label": "amisulpride", "cosine_similarity": 0.307923674583435 } }, { "source": "CID:10330240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "VUF-5681-naloxone similarity", "source_label": "VUF-5681", "target_label": "naloxone", "cosine_similarity": 0.3243053555488586 } }, { "source": "CID:4781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "phenylbutazone-lomerizine similarity", "source_label": "phenylbutazone", "target_label": "lomerizine", "cosine_similarity": 0.3580341041088104 } }, { "source": "CID:23986045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "karakoline-selinidin similarity", "source_label": "karakoline", "target_label": "selinidin", "cosine_similarity": 0.3600518703460693 } }, { "source": "CID:5701996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10405323", "properties": { "id": "isoreserpine-WR-216174 similarity", "source_label": "isoreserpine", "target_label": "WR-216174", "cosine_similarity": 0.2830932438373565 } }, { "source": "CID:11494412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "tivantinib-paclitaxel similarity", "source_label": "tivantinib", "target_label": "paclitaxel", "cosine_similarity": 0.7981001734733582 } }, { "source": "CID:2771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "citalopram-roflumilast similarity", "source_label": "citalopram", "target_label": "roflumilast", "cosine_similarity": 0.4147284626960754 } }, { "source": "CID:46925839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123686", "properties": { "id": "SD-6-035-A4-ICI-89406 similarity", "source_label": "SD-6-035-A4", "target_label": "ICI-89406", "cosine_similarity": 0.1904185265302658 } }, { "source": "CID:1464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "bisbenzimide-daunorubicin similarity", "source_label": "bisbenzimide", "target_label": "daunorubicin", "cosine_similarity": 0.3245013654232025 } }, { "source": "CID:637213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "rhapontin-darinaparsin similarity", "source_label": "rhapontin", "target_label": "darinaparsin", "cosine_similarity": 0.2751325666904449 } }, { "source": "CID:49792852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "NMS-1286937-paclitaxel similarity", "source_label": "NMS-1286937", "target_label": "paclitaxel", "cosine_similarity": 0.8225474953651428 } }, { "source": "CID:5280953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "harmine-LFM-A13 similarity", "source_label": "harmine", "target_label": "LFM-A13", "cosine_similarity": 0.5221847891807556 } }, { "source": "CID:16038120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607360", "properties": { "id": "NVP-TAE684-WZ-3146 similarity", "source_label": "NVP-TAE684", "target_label": "WZ-3146", "cosine_similarity": 0.4464280307292938 } }, { "source": "CID:3634881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "CCT036477-auranofin similarity", "source_label": "CCT036477", "target_label": "auranofin", "cosine_similarity": 0.3485017716884613 } }, { "source": "CID:153241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214346", "properties": { "id": "merimepodib-BCI-540 similarity", "source_label": "merimepodib", "target_label": "BCI-540", "cosine_similarity": 0.379482626914978 } }, { "source": "CID:55652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5359371", "properties": { "id": "spiradoline-levallorphan similarity", "source_label": "spiradoline", "target_label": "levallorphan", "cosine_similarity": 0.3427614867687225 } }, { "source": "CID:23633604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "LX-1031-levocabastine similarity", "source_label": "LX-1031", "target_label": "levocabastine", "cosine_similarity": 0.3249458968639374 } }, { "source": "CID:44484239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "SA-90153-SA-101776 similarity", "source_label": "SA-90153", "target_label": "SA-101776", "cosine_similarity": 0.2672107815742492 } }, { "source": "CID:73265214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "QL-XI-92-ALW-II-49-7 similarity", "source_label": "QL-XI-92", "target_label": "ALW-II-49-7", "cosine_similarity": 0.3899159729480743 } }, { "source": "CID:44510971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "brucine-PT-630 similarity", "source_label": "brucine", "target_label": "PT-630", "cosine_similarity": 0.3471078276634216 } }, { "source": "CID:5641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "urethane-oxaprozin similarity", "source_label": "urethane", "target_label": "oxaprozin", "cosine_similarity": 0.2922025620937347 } }, { "source": "CID:60606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "clopidogrel-GSK-429286A similarity", "source_label": "clopidogrel", "target_label": "GSK-429286A", "cosine_similarity": 0.3450907468795776 } }, { "source": "CID:44247542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4755", "properties": { "id": "VU-0402604-phenamil similarity", "source_label": "VU-0402604", "target_label": "phenamil", "cosine_similarity": 0.2329053580760955 } }, { "source": "CID:3202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "edrophonium-MW-STK33-4C similarity", "source_label": "edrophonium", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2325735688209533 } }, { "source": "CID:107867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360697", "properties": { "id": "otenzepad-dextrorphan similarity", "source_label": "otenzepad", "target_label": "dextrorphan", "cosine_similarity": 0.1912508010864257 } }, { "source": "CID:119032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "NO-ASA-MD-II-051 similarity", "source_label": "NO-ASA", "target_label": "MD-II-051", "cosine_similarity": 0.5413137078285217 } }, { "source": "CID:44510971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "brucine-DAC-004 similarity", "source_label": "brucine", "target_label": "DAC-004", "cosine_similarity": 0.3294630944728851 } }, { "source": "CID:698112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "AEG-3482-withaferin-a similarity", "source_label": "AEG-3482", "target_label": "withaferin-a", "cosine_similarity": 0.5176430940628052 } }, { "source": "CID:1345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "PK-11195-fluoropyruvate similarity", "source_label": "PK-11195", "target_label": "fluoropyruvate", "cosine_similarity": 0.4047985672950744 } }, { "source": "CID:44616431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-441145-SA-89735 similarity", "source_label": "SA-441145", "target_label": "SA-89735", "cosine_similarity": 0.4973654448986053 } }, { "source": "CID:1282817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17534", "properties": { "id": "KUC104240N-6-aminochrysene similarity", "source_label": "KUC104240N", "target_label": "6-aminochrysene", "cosine_similarity": 0.2223245501518249 } }, { "source": "CID:688798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "ST-059620-morin similarity", "source_label": "ST-059620", "target_label": "morin", "cosine_similarity": 0.4553055763244629 } }, { "source": "CID:101989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "androstenol-FTI-276 similarity", "source_label": "androstenol", "target_label": "FTI-276", "cosine_similarity": 0.2946321666240692 } }, { "source": "CID:729859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "CTB-GSK-J1 similarity", "source_label": "CTB", "target_label": "GSK-J1", "cosine_similarity": 0.4541248083114624 } }, { "source": "CID:46848036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "flumatinib-rimcazole similarity", "source_label": "flumatinib", "target_label": "rimcazole", "cosine_similarity": 0.4754858314990997 } }, { "source": "CID:3440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "furosemide-dorzolamide similarity", "source_label": "furosemide", "target_label": "dorzolamide", "cosine_similarity": 0.4393872320652008 } }, { "source": "CID:992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49835860", "properties": { "id": "pentachlorophenol-ST-4062971 similarity", "source_label": "pentachlorophenol", "target_label": "ST-4062971", "cosine_similarity": 0.2569062411785126 } }, { "source": "CID:5702164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "puromycin-BNTX similarity", "source_label": "puromycin", "target_label": "BNTX", "cosine_similarity": 0.7424527406692505 } }, { "source": "CID:2162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "amlodipine-vandetanib similarity", "source_label": "amlodipine", "target_label": "vandetanib", "cosine_similarity": 0.5213626027107239 } }, { "source": "CID:3478439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3005573", "properties": { "id": "fulvestrant-toremifene similarity", "source_label": "fulvestrant", "target_label": "toremifene", "cosine_similarity": 0.3162901997566223 } }, { "source": "CID:5312531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5063", "properties": { "id": "mead-acid-RHC-80267 similarity", "source_label": "mead-acid", "target_label": "RHC-80267", "cosine_similarity": 0.2903653085231781 } }, { "source": "CID:2710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "chlorcyclizine-pipenzolate similarity", "source_label": "chlorcyclizine", "target_label": "pipenzolate", "cosine_similarity": 0.2579013109207153 } }, { "source": "CID:58423153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "AZD-1208-sirolimus similarity", "source_label": "AZD-1208", "target_label": "sirolimus", "cosine_similarity": 0.3680117726325989 } }, { "source": "CID:5311451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11717001", "properties": { "id": "SR-142948-GDC-0879 similarity", "source_label": "SR-142948", "target_label": "GDC-0879", "cosine_similarity": 0.2302440255880355 } }, { "source": "CID:6610268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "berbamine-BIBU-1361 similarity", "source_label": "berbamine", "target_label": "BIBU-1361", "cosine_similarity": 0.6117472648620605 } }, { "source": "CID:9819927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "LY-341495-GW-1929 similarity", "source_label": "LY-341495", "target_label": "GW-1929", "cosine_similarity": 0.2579017579555511 } }, { "source": "CID:9906875", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "LFM-A13-BMS-641988 similarity", "source_label": "LFM-A13", "target_label": "BMS-641988", "cosine_similarity": 0.4909469783306122 } }, { "source": "CID:5962587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710741", "properties": { "id": "triacetylresveratrol-baeomycesic-acid similarity", "source_label": "triacetylresveratrol", "target_label": "baeomycesic-acid", "cosine_similarity": 0.2355430722236633 } }, { "source": "CID:44601473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4039", "properties": { "id": "KU-C103898N-meclofenoxate similarity", "source_label": "KU-C103898N", "target_label": "meclofenoxate", "cosine_similarity": 0.2047600448131561 } }, { "source": "CID:5329480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "GW-583340-PD-184352 similarity", "source_label": "GW-583340", "target_label": "PD-184352", "cosine_similarity": 0.2754424214363098 } }, { "source": "CID:5316606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "piceid-harmine similarity", "source_label": "piceid", "target_label": "harmine", "cosine_similarity": 0.3197973668575287 } }, { "source": "CID:6852167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16123056", "properties": { "id": "PIK-93-voxtalisib similarity", "source_label": "PIK-93", "target_label": "voxtalisib", "cosine_similarity": 0.3488747477531433 } }, { "source": "CID:10275789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "PIK-75-CGP-60474 similarity", "source_label": "PIK-75", "target_label": "CGP-60474", "cosine_similarity": 0.8666050434112549 } }, { "source": "CID:6710772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "lysylphenylalanyl-tyrosine-metacetamol similarity", "source_label": "lysylphenylalanyl-tyrosine", "target_label": "metacetamol", "cosine_similarity": 0.2965397834777832 } }, { "source": "CID:4608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "micropenin-ST-4029655 similarity", "source_label": "micropenin", "target_label": "ST-4029655", "cosine_similarity": 0.2282589673995971 } }, { "source": "CID:46885626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771867", "properties": { "id": "GSK-1070916-alisertib similarity", "source_label": "GSK-1070916", "target_label": "alisertib", "cosine_similarity": 0.4112206101417541 } }, { "source": "CID:442530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3213", "properties": { "id": "ochratoxin-a-ellipticine similarity", "source_label": "ochratoxin-a", "target_label": "ellipticine", "cosine_similarity": 0.3053968846797943 } }, { "source": "CID:5430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "tiabendazole-valsartan similarity", "source_label": "tiabendazole", "target_label": "valsartan", "cosine_similarity": 0.347678393125534 } }, { "source": "CID:5282219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "sofalcone-S-18986 similarity", "source_label": "sofalcone", "target_label": "S-18986", "cosine_similarity": 0.5143235921859741 } }, { "source": "CID:44199317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:790", "properties": { "id": "AZD-2461-hypoxanthine similarity", "source_label": "AZD-2461", "target_label": "hypoxanthine", "cosine_similarity": 0.4099868535995483 } }, { "source": "CID:91522200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446156", "properties": { "id": "benidipine-cerivastatin similarity", "source_label": "benidipine", "target_label": "cerivastatin", "cosine_similarity": 0.2073859125375747 } }, { "source": "CID:49843144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4178", "properties": { "id": "SD-6-035-B2-mexiletine similarity", "source_label": "SD-6-035-B2", "target_label": "mexiletine", "cosine_similarity": 0.2391160875558853 } }, { "source": "CID:133008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "L-741742-KU-C104137 similarity", "source_label": "L-741742", "target_label": "KU-C104137", "cosine_similarity": 0.2830366492271423 } }, { "source": "CID:135564558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5385074", "properties": { "id": "PF-04447943-kakonein similarity", "source_label": "PF-04447943", "target_label": "kakonein", "cosine_similarity": 0.3427716791629791 } }, { "source": "CID:5318562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "isoeugenol-PJ-34 similarity", "source_label": "isoeugenol", "target_label": "PJ-34", "cosine_similarity": 0.2160703986883163 } }, { "source": "CID:2326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5052", "properties": { "id": "benproperine-mepireserpate similarity", "source_label": "benproperine", "target_label": "mepireserpate", "cosine_similarity": 0.3647820055484772 } }, { "source": "CID:21109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "trimetazidine-oxiconazole similarity", "source_label": "trimetazidine", "target_label": "oxiconazole", "cosine_similarity": 0.2321493178606033 } }, { "source": "CID:5332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "sulfamonomethoxine-hydroxyamphetamine similarity", "source_label": "sulfamonomethoxine", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.3059570789337158 } }, { "source": "CID:88129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504533", "properties": { "id": "valproxam-SA-103150 similarity", "source_label": "valproxam", "target_label": "SA-103150", "cosine_similarity": 0.2437924891710281 } }, { "source": "CID:44484239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657740", "properties": { "id": "SA-90153-SA-1456570 similarity", "source_label": "SA-90153", "target_label": "SA-1456570", "cosine_similarity": 0.2503648698329925 } }, { "source": "CID:73707436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:161930", "properties": { "id": "YL-52-icilin similarity", "source_label": "YL-52", "target_label": "icilin", "cosine_similarity": 0.2273285090923309 } }, { "source": "CID:54658402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666573", "properties": { "id": "SA-1458026-SA-1919875 similarity", "source_label": "SA-1458026", "target_label": "SA-1919875", "cosine_similarity": 0.2761966586112976 } }, { "source": "CID:6708600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "sarmentogenin-cinobufagin similarity", "source_label": "sarmentogenin", "target_label": "cinobufagin", "cosine_similarity": 0.7841169834136963 } }, { "source": "CID:2630179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "EMF-sumo1-12-FTI-276 similarity", "source_label": "EMF-sumo1-12", "target_label": "FTI-276", "cosine_similarity": 0.3996695280075073 } }, { "source": "CID:5311217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "lacidipine-cyclosporin-a similarity", "source_label": "lacidipine", "target_label": "cyclosporin-a", "cosine_similarity": 0.3158171772956848 } }, { "source": "CID:2966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5587", "properties": { "id": "debrisoquin-tripelennamine similarity", "source_label": "debrisoquin", "target_label": "tripelennamine", "cosine_similarity": 0.141705572605133 } }, { "source": "CID:2690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:393595", "properties": { "id": "CGS-15943-MRS-1220 similarity", "source_label": "CGS-15943", "target_label": "MRS-1220", "cosine_similarity": 0.5107859969139099 } }, { "source": "CID:65909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "zaldaride-lomerizine similarity", "source_label": "zaldaride", "target_label": "lomerizine", "cosine_similarity": 0.2748227417469024 } }, { "source": "CID:22416272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747210", "properties": { "id": "KU-C103868-PSH-027 similarity", "source_label": "KU-C103868", "target_label": "PSH-027", "cosine_similarity": 0.2456381469964981 } }, { "source": "CID:10291556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "meloxicam-CGS-20625 similarity", "source_label": "meloxicam", "target_label": "CGS-20625", "cosine_similarity": 0.4597234427928924 } }, { "source": "CID:5765514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245449", "properties": { "id": "MW-STK33-1C-TUL_XIX002 similarity", "source_label": "MW-STK33-1C", "target_label": "TUL_XIX002", "cosine_similarity": 0.3123353719711303 } }, { "source": "CID:46780805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54766", "properties": { "id": "bimatoprost-bambuterol similarity", "source_label": "bimatoprost", "target_label": "bambuterol", "cosine_similarity": 0.2574355006217956 } }, { "source": "CID:54666572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "SA-1921617-PLX-4720 similarity", "source_label": "SA-1921617", "target_label": "PLX-4720", "cosine_similarity": 0.2686829566955566 } }, { "source": "CID:729859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "CTB-JW-55 similarity", "source_label": "CTB", "target_label": "JW-55", "cosine_similarity": 0.4216957688331604 } }, { "source": "CID:60187611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-1939838-SA-89735 similarity", "source_label": "SA-1939838", "target_label": "SA-89735", "cosine_similarity": 0.4486688375473022 } }, { "source": "CID:278679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "cephalotaxine-iodoquinol similarity", "source_label": "cephalotaxine", "target_label": "iodoquinol", "cosine_similarity": 0.266199916601181 } }, { "source": "CID:31703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296583", "properties": { "id": "doxorubicin-pirarubicin similarity", "source_label": "doxorubicin", "target_label": "pirarubicin", "cosine_similarity": 0.7071553468704224 } }, { "source": "CID:4158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4236", "properties": { "id": "methylphenidate-modafinil similarity", "source_label": "methylphenidate", "target_label": "modafinil", "cosine_similarity": 0.6612353324890137 } }, { "source": "CID:5055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "resorcinol-KIN001-242 similarity", "source_label": "resorcinol", "target_label": "KIN001-242", "cosine_similarity": 0.3601032495498657 } }, { "source": "CID:632854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "ST-012030-dexloxiglumide similarity", "source_label": "ST-012030", "target_label": "dexloxiglumide", "cosine_similarity": 0.332512229681015 } }, { "source": "CID:442972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "cyclopamine-dactinomycin similarity", "source_label": "cyclopamine", "target_label": "dactinomycin", "cosine_similarity": 0.2674393951892853 } }, { "source": "CID:2236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "aristolochic-acid-dinaciclib similarity", "source_label": "aristolochic-acid", "target_label": "dinaciclib", "cosine_similarity": 0.2629483640193939 } }, { "source": "CID:9819927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "LY-341495-minoxidil similarity", "source_label": "LY-341495", "target_label": "minoxidil", "cosine_similarity": 0.2667266428470611 } }, { "source": "CID:54657742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281691", "properties": { "id": "SA-1455791-rhamnetin similarity", "source_label": "SA-1455791", "target_label": "rhamnetin", "cosine_similarity": 0.2449342608451843 } }, { "source": "CID:2576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2717", "properties": { "id": "carisoprodol-chlormezanone similarity", "source_label": "carisoprodol", "target_label": "chlormezanone", "cosine_similarity": 0.2365551739931106 } }, { "source": "CID:6914273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "dantrolene-CGS-20625 similarity", "source_label": "dantrolene", "target_label": "CGS-20625", "cosine_similarity": 0.4423176944255829 } }, { "source": "CID:44631078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "KU-C104337-K784-3188 similarity", "source_label": "KU-C104337", "target_label": "K784-3188", "cosine_similarity": 0.7309005260467529 } }, { "source": "CID:11978790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "BGT-226-MLN-0128 similarity", "source_label": "BGT-226", "target_label": "MLN-0128", "cosine_similarity": 0.8185371160507202 } }, { "source": "CID:4029677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "CP-94253-enrofloxacin similarity", "source_label": "CP-94253", "target_label": "enrofloxacin", "cosine_similarity": 0.2928244471549988 } }, { "source": "CID:1133081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1014-BML-210 similarity", "source_label": "BG-1014", "target_label": "BML-210", "cosine_similarity": 0.5069301724433899 } }, { "source": "CID:54614219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "SA-441092-SA-90471 similarity", "source_label": "SA-441092", "target_label": "SA-90471", "cosine_similarity": 0.5659074187278748 } }, { "source": "CID:44473132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "KU-C103676-dictamnine similarity", "source_label": "KU-C103676", "target_label": "dictamnine", "cosine_similarity": 0.2841178476810455 } }, { "source": "CID:44483339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "BVT-948-heliomycin similarity", "source_label": "BVT-948", "target_label": "heliomycin", "cosine_similarity": 0.5318630337715149 } }, { "source": "CID:693139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "CAY-10577-vecuronium similarity", "source_label": "CAY-10577", "target_label": "vecuronium", "cosine_similarity": 0.290309727191925 } }, { "source": "CID:73707425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "guggulsterone-sulforaphane similarity", "source_label": "guggulsterone", "target_label": "sulforaphane", "cosine_similarity": 0.447425365447998 } }, { "source": "CID:3519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "guanfacine-Gossypetin similarity", "source_label": "guanfacine", "target_label": "Gossypetin", "cosine_similarity": 0.2853263616561889 } }, { "source": "CID:67475270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "LY-3000328-mestranol similarity", "source_label": "LY-3000328", "target_label": "mestranol", "cosine_similarity": 0.1751095950603485 } }, { "source": "CID:3683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2343", "properties": { "id": "ICI-204448-benzthiazide similarity", "source_label": "ICI-204448", "target_label": "benzthiazide", "cosine_similarity": 0.2819300293922424 } }, { "source": "CID:11201705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "ivachtin-Gly-Gly-PALO similarity", "source_label": "ivachtin", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3194891214370727 } }, { "source": "CID:22693263", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23844163", "properties": { "id": "RAN-02-NK42-I-109-1 similarity", "source_label": "RAN-02", "target_label": "NK42-I-109-1", "cosine_similarity": 0.2695525288581848 } }, { "source": "CID:2951172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "EMF-sumo1-6-BMS-641988 similarity", "source_label": "EMF-sumo1-6", "target_label": "BMS-641988", "cosine_similarity": 0.3776922225952148 } }, { "source": "CID:4238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "molsidomine-amikacin similarity", "source_label": "molsidomine", "target_label": "amikacin", "cosine_similarity": 0.7871766090393066 } }, { "source": "CID:5284514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "acrivastine-pyrazinoylguanidine similarity", "source_label": "acrivastine", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.498517245054245 } }, { "source": "CID:8215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "AGP-103-loxoprofen similarity", "source_label": "AGP-103", "target_label": "loxoprofen", "cosine_similarity": 0.2996373772621155 } }, { "source": "CID:11317348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "KI-8751-ALW-II-49-7 similarity", "source_label": "KI-8751", "target_label": "ALW-II-49-7", "cosine_similarity": 0.3090830147266388 } }, { "source": "CID:443955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "vinpocetine-vortioxetine similarity", "source_label": "vinpocetine", "target_label": "vortioxetine", "cosine_similarity": 0.5430312156677246 } }, { "source": "CID:392622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4843", "properties": { "id": "ritonavir-piracetam similarity", "source_label": "ritonavir", "target_label": "piracetam", "cosine_similarity": 0.3009354770183563 } }, { "source": "CID:5386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "tegafur-ICI-162846 similarity", "source_label": "tegafur", "target_label": "ICI-162846", "cosine_similarity": 0.2738970816135406 } }, { "source": "CID:11691726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "balapiravir-actarit similarity", "source_label": "balapiravir", "target_label": "actarit", "cosine_similarity": 0.4227171242237091 } }, { "source": "CID:223368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "equilin-estradiol-cypionate similarity", "source_label": "equilin", "target_label": "estradiol-cypionate", "cosine_similarity": 0.449755996465683 } }, { "source": "CID:23844163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "NK42-I-109-1-SB-203580 similarity", "source_label": "NK42-I-109-1", "target_label": "SB-203580", "cosine_similarity": 0.2920623123645782 } }, { "source": "CID:125085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "p-aminophenethylspiperone-cyclosporin-a similarity", "source_label": "p-aminophenethylspiperone", "target_label": "cyclosporin-a", "cosine_similarity": 0.5145602822303772 } }, { "source": "CID:25183872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "ixazomib-delanzomib similarity", "source_label": "ixazomib", "target_label": "delanzomib", "cosine_similarity": 0.8448470234870911 } }, { "source": "CID:11519070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "umeclidinium-reboxetine similarity", "source_label": "umeclidinium", "target_label": "reboxetine", "cosine_similarity": 0.3271866142749786 } }, { "source": "CID:44507299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186973", "properties": { "id": "SA-247636-SA-1938111 similarity", "source_label": "SA-247636", "target_label": "SA-1938111", "cosine_similarity": 0.2396263629198074 } }, { "source": "CID:4493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119565", "properties": { "id": "nilutamide-l-bso similarity", "source_label": "nilutamide", "target_label": "l-bso", "cosine_similarity": 0.238668292760849 } }, { "source": "CID:54654463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654441", "properties": { "id": "SA-1472542-SA-1480001 similarity", "source_label": "SA-1472542", "target_label": "SA-1480001", "cosine_similarity": 0.2335214018821716 } }, { "source": "CID:2391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6185", "properties": { "id": "bisacodyl-strophanthidin similarity", "source_label": "bisacodyl", "target_label": "strophanthidin", "cosine_similarity": 0.541824221611023 } }, { "source": "CID:148198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "GMX-1778-BMS-191011 similarity", "source_label": "GMX-1778", "target_label": "BMS-191011", "cosine_similarity": 0.5038384795188904 } }, { "source": "CID:208898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "dronedarone-bupropion similarity", "source_label": "dronedarone", "target_label": "bupropion", "cosine_similarity": 0.4127234518527984 } }, { "source": "CID:6466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "MD-920-valsartan similarity", "source_label": "MD-920", "target_label": "valsartan", "cosine_similarity": 0.4070332050323486 } }, { "source": "CID:54659868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504286", "properties": { "id": "SA-1459031-SA-102042 similarity", "source_label": "SA-1459031", "target_label": "SA-102042", "cosine_similarity": 0.338080495595932 } }, { "source": "CID:2750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "ciglitazone-cholic-acid similarity", "source_label": "ciglitazone", "target_label": "cholic-acid", "cosine_similarity": 0.3138254880905151 } }, { "source": "CID:3343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91486", "properties": { "id": "fenoterol-safingol similarity", "source_label": "fenoterol", "target_label": "safingol", "cosine_similarity": 0.3229704201221466 } }, { "source": "CID:25021165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "JZL-184-PT-630 similarity", "source_label": "JZL-184", "target_label": "PT-630", "cosine_similarity": 0.5476957559585571 } }, { "source": "CID:25073775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227462", "properties": { "id": "VS-4718-PF-03758309 similarity", "source_label": "VS-4718", "target_label": "PF-03758309", "cosine_similarity": 0.527442455291748 } }, { "source": "CID:1554210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68802", "properties": { "id": "CFTRinh-172-pirlindole similarity", "source_label": "CFTRinh-172", "target_label": "pirlindole", "cosine_similarity": 0.1712219268083572 } }, { "source": "CID:5281365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "geranylgeraniol-naloxone similarity", "source_label": "geranylgeraniol", "target_label": "naloxone", "cosine_similarity": 0.2245125025510788 } }, { "source": "CID:2482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "butamben-6-chloromelatonin similarity", "source_label": "butamben", "target_label": "6-chloromelatonin", "cosine_similarity": 0.2653256058692932 } }, { "source": "CID:9615346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "cefepime-BMY-14802 similarity", "source_label": "cefepime", "target_label": "BMY-14802", "cosine_similarity": 0.4576614797115326 } }, { "source": "CID:73707400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-1460136-SA-1458610 similarity", "source_label": "SA-1460136", "target_label": "SA-1458610", "cosine_similarity": 0.3354222476482391 } }, { "source": "CID:2065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "AG-99-gossypin similarity", "source_label": "AG-99", "target_label": "gossypin", "cosine_similarity": 0.2445795685052871 } }, { "source": "CID:1794427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843648", "properties": { "id": "chlorogenic-acid-NPK76-II-72-1 similarity", "source_label": "chlorogenic-acid", "target_label": "NPK76-II-72-1", "cosine_similarity": 0.1951507329940796 } }, { "source": "CID:3081027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "OCO-1112-sulpiride similarity", "source_label": "OCO-1112", "target_label": "sulpiride", "cosine_similarity": 0.2927152514457702 } }, { "source": "CID:600670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "lomatin-gliclazide similarity", "source_label": "lomatin", "target_label": "gliclazide", "cosine_similarity": 0.4313648045063019 } }, { "source": "CID:4939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "propidium-leucovorin similarity", "source_label": "propidium", "target_label": "leucovorin", "cosine_similarity": 0.2647377252578735 } }, { "source": "CID:1548953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "clomifene-trifluoperazine similarity", "source_label": "clomifene", "target_label": "trifluoperazine", "cosine_similarity": 0.5240596532821655 } }, { "source": "CID:6610310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121926", "properties": { "id": "MBCQ-ZK-93423 similarity", "source_label": "MBCQ", "target_label": "ZK-93423", "cosine_similarity": 0.3011698424816131 } }, { "source": "CID:135564985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "ganetespib-tanespimycin similarity", "source_label": "ganetespib", "target_label": "tanespimycin", "cosine_similarity": 0.8598426580429077 } }, { "source": "CID:8616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "peucedanin-UB-165 similarity", "source_label": "peucedanin", "target_label": "UB-165", "cosine_similarity": 0.3918356299400329 } }, { "source": "CID:3314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "eugenol-tolazamide similarity", "source_label": "eugenol", "target_label": "tolazamide", "cosine_similarity": 0.4110797047615051 } }, { "source": "CID:73707390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "ON-01910-D-64131 similarity", "source_label": "ON-01910", "target_label": "D-64131", "cosine_similarity": 0.5546647906303406 } }, { "source": "CID:49849932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "DM-163-dubinidine similarity", "source_label": "DM-163", "target_label": "dubinidine", "cosine_similarity": 0.2830444276332855 } }, { "source": "CID:54669304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-1922927-SA-424170 similarity", "source_label": "SA-1922927", "target_label": "SA-424170", "cosine_similarity": 0.2447625398635864 } }, { "source": "CID:107807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "perindopril-tetrahydrouridine similarity", "source_label": "perindopril", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3798986077308655 } }, { "source": "CID:4235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59768", "properties": { "id": "moclobemide-esmolol similarity", "source_label": "moclobemide", "target_label": "esmolol", "cosine_similarity": 0.3350981473922729 } }, { "source": "CID:1646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4020", "properties": { "id": "tramiprosate-mazindol similarity", "source_label": "tramiprosate", "target_label": "mazindol", "cosine_similarity": 0.33836230635643 } }, { "source": "CID:135399748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "CHIR-124-AG-14361 similarity", "source_label": "CHIR-124", "target_label": "AG-14361", "cosine_similarity": 0.5156910419464111 } }, { "source": "CID:154059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "solifenacin-succinate-meclizine similarity", "source_label": "solifenacin-succinate", "target_label": "meclizine", "cosine_similarity": 0.2800080776214599 } }, { "source": "CID:9885087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3925", "properties": { "id": "TAS-301-QX-314 similarity", "source_label": "TAS-301", "target_label": "QX-314", "cosine_similarity": 0.2171013951301574 } }, { "source": "CID:18283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213039", "properties": { "id": "stavudine-darunavir similarity", "source_label": "stavudine", "target_label": "darunavir", "cosine_similarity": 0.3259795308113098 } }, { "source": "CID:441728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "deltaline-Gossypetin similarity", "source_label": "deltaline", "target_label": "Gossypetin", "cosine_similarity": 0.3076628446578979 } }, { "source": "CID:18283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "stavudine-cholic-acid similarity", "source_label": "stavudine", "target_label": "cholic-acid", "cosine_similarity": 0.320513516664505 } }, { "source": "CID:16760037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "calyculin-erythrosine similarity", "source_label": "calyculin", "target_label": "erythrosine", "cosine_similarity": 0.2984718680381775 } }, { "source": "CID:54666590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613797", "properties": { "id": "SA-1922959-SA-440968 similarity", "source_label": "SA-1922959", "target_label": "SA-440968", "cosine_similarity": 0.2570994794368744 } }, { "source": "CID:65057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "diphencyprone-SA-1447005 similarity", "source_label": "diphencyprone", "target_label": "SA-1447005", "cosine_similarity": 0.4673772752285003 } }, { "source": "CID:127382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "Ro-19-4605-ASN-05257430 similarity", "source_label": "Ro-19-4605", "target_label": "ASN-05257430", "cosine_similarity": 0.2550053298473358 } }, { "source": "CID:9841834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "istaroxime-lorcaserin similarity", "source_label": "istaroxime", "target_label": "lorcaserin", "cosine_similarity": 0.3848815262317657 } }, { "source": "CID:56052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2966", "properties": { "id": "ractopamine-debrisoquin similarity", "source_label": "ractopamine", "target_label": "debrisoquin", "cosine_similarity": 0.1464170962572097 } }, { "source": "CID:5337997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "nifuroxazide-I-606051 similarity", "source_label": "nifuroxazide", "target_label": "I-606051", "cosine_similarity": 0.3282896280288696 } }, { "source": "CID:73707430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77999", "properties": { "id": "gestrinone-rosiglitazone similarity", "source_label": "gestrinone", "target_label": "rosiglitazone", "cosine_similarity": 0.4410503506660461 } }, { "source": "CID:54657708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-1457336-SA-1920722 similarity", "source_label": "SA-1457336", "target_label": "SA-1920722", "cosine_similarity": 0.3026811778545379 } }, { "source": "CID:5281437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "costunolide-7b-cis similarity", "source_label": "costunolide", "target_label": "7b-cis", "cosine_similarity": 0.3532598614692688 } }, { "source": "CID:4893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "prazosin-estradiol-cypionate similarity", "source_label": "prazosin", "target_label": "estradiol-cypionate", "cosine_similarity": 0.3103111684322357 } }, { "source": "CID:10071166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "DCPIB-diclofenac similarity", "source_label": "DCPIB", "target_label": "diclofenac", "cosine_similarity": 0.2807222604751587 } }, { "source": "CID:102614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65628", "properties": { "id": "dpn-bendamustine similarity", "source_label": "dpn", "target_label": "bendamustine", "cosine_similarity": 0.2144018411636352 } }, { "source": "CID:5505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "tolbutamide-EMF-csc-9 similarity", "source_label": "tolbutamide", "target_label": "EMF-csc-9", "cosine_similarity": 0.3570477068424225 } }, { "source": "CID:4634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439285", "properties": { "id": "oxybutynin-choline-alfoscerate similarity", "source_label": "oxybutynin", "target_label": "choline-alfoscerate", "cosine_similarity": 0.3197475671768188 } }, { "source": "CID:2722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "chloroxine-artesunate similarity", "source_label": "chloroxine", "target_label": "artesunate", "cosine_similarity": 0.3949413597583771 } }, { "source": "CID:9954280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "nTZDpa-PLX-4720 similarity", "source_label": "nTZDpa", "target_label": "PLX-4720", "cosine_similarity": 0.3056588172912597 } }, { "source": "CID:44493137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "SD-8-005-nadolol similarity", "source_label": "SD-8-005", "target_label": "nadolol", "cosine_similarity": 0.2723062336444855 } }, { "source": "CID:54656096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-1473648-SA-244358 similarity", "source_label": "SA-1473648", "target_label": "SA-244358", "cosine_similarity": 0.2533003687858581 } }, { "source": "CID:3926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9910486", "properties": { "id": "lidoflazine-SB-705498 similarity", "source_label": "lidoflazine", "target_label": "SB-705498", "cosine_similarity": 0.4773869216442108 } }, { "source": "CID:20279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "cladribine-clofarabine similarity", "source_label": "cladribine", "target_label": "clofarabine", "cosine_similarity": 0.714704692363739 } }, { "source": "CID:153941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "entecavir-lacosamide similarity", "source_label": "entecavir", "target_label": "lacosamide", "cosine_similarity": 0.4494962692260742 } }, { "source": "CID:16960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33630", "properties": { "id": "dexbrompheniramine-penfluridol similarity", "source_label": "dexbrompheniramine", "target_label": "penfluridol", "cosine_similarity": 0.2473169118165969 } }, { "source": "CID:26248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220172", "properties": { "id": "diacerein-ivacaftor similarity", "source_label": "diacerein", "target_label": "ivacaftor", "cosine_similarity": 0.2974041402339935 } }, { "source": "CID:11949646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46898058", "properties": { "id": "empagliflozin-GSK-923295 similarity", "source_label": "empagliflozin", "target_label": "GSK-923295", "cosine_similarity": 0.2762333750724792 } }, { "source": "CID:3976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6732844", "properties": { "id": "LY-83583-ST-023431 similarity", "source_label": "LY-83583", "target_label": "ST-023431", "cosine_similarity": 0.2349921762943267 } }, { "source": "CID:16736978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "KU-0063794-AZD-8055 similarity", "source_label": "KU-0063794", "target_label": "AZD-8055", "cosine_similarity": 0.9305969476699828 } }, { "source": "CID:774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "histamine-aliskiren similarity", "source_label": "histamine", "target_label": "aliskiren", "cosine_similarity": 0.4803443551063537 } }, { "source": "CID:512292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092098", "properties": { "id": "iso-olomoucine-RU-28318 similarity", "source_label": "iso-olomoucine", "target_label": "RU-28318", "cosine_similarity": 0.2231141924858093 } }, { "source": "CID:124202168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "HG-9-91-01-dasatinib similarity", "source_label": "HG-9-91-01", "target_label": "dasatinib", "cosine_similarity": 0.4338723421096802 } }, { "source": "CID:123662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439503", "properties": { "id": "beta-CCP-salicin similarity", "source_label": "beta-CCP", "target_label": "salicin", "cosine_similarity": 0.2521196901798248 } }, { "source": "CID:5280881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "prostaglandin-b2-Gossypetin similarity", "source_label": "prostaglandin-b2", "target_label": "Gossypetin", "cosine_similarity": 0.3120554685592651 } }, { "source": "CID:5587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "tripelennamine-5-methoxytryptamine similarity", "source_label": "tripelennamine", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.2451154738664627 } }, { "source": "CID:65482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "sinefungin-oleoylethanolamide similarity", "source_label": "sinefungin", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2590895295143127 } }, { "source": "CID:5893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4886", "properties": { "id": "nadide-pramocaine similarity", "source_label": "nadide", "target_label": "pramocaine", "cosine_similarity": 0.3107528686523437 } }, { "source": "CID:5280363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7427", "properties": { "id": "dinoprost-trehalose similarity", "source_label": "dinoprost", "target_label": "trehalose", "cosine_similarity": 0.5379785299301147 } }, { "source": "CID:6256", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "trifluridine-clofarabine similarity", "source_label": "trifluridine", "target_label": "clofarabine", "cosine_similarity": 0.5568361282348633 } }, { "source": "CID:194138", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702095", "properties": { "id": "EHPG-piperazine-noretynodrel similarity", "source_label": "EHPG-piperazine", "target_label": "noretynodrel", "cosine_similarity": 0.1654273867607116 } }, { "source": "CID:5152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "salmeterol-raloxifene similarity", "source_label": "salmeterol", "target_label": "raloxifene", "cosine_similarity": 0.5894771218299866 } }, { "source": "CID:135565545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856436", "properties": { "id": "PF-477736-MK-1775 similarity", "source_label": "PF-477736", "target_label": "MK-1775", "cosine_similarity": 0.5250924229621887 } }, { "source": "CID:155815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "varespladib-dorzolamide similarity", "source_label": "varespladib", "target_label": "dorzolamide", "cosine_similarity": 0.4168215095996856 } }, { "source": "CID:55283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64945", "properties": { "id": "itraconazole-ursolic-acid similarity", "source_label": "itraconazole", "target_label": "ursolic-acid", "cosine_similarity": 0.3486261367797851 } }, { "source": "CID:445319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "S-isopropylisothiourea-proxyphylline similarity", "source_label": "S-isopropylisothiourea", "target_label": "proxyphylline", "cosine_similarity": 0.4849222600460052 } }, { "source": "CID:7073234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:150311", "properties": { "id": "catharanthine-ezetimibe similarity", "source_label": "catharanthine", "target_label": "ezetimibe", "cosine_similarity": 0.1831268221139907 } }, { "source": "CID:68071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "pinocembrin-TEPP-46 similarity", "source_label": "pinocembrin", "target_label": "TEPP-46", "cosine_similarity": 0.30833700299263 } }, { "source": "CID:108094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "RX-821002-SAL-1 similarity", "source_label": "RX-821002", "target_label": "SAL-1", "cosine_similarity": 0.283471941947937 } }, { "source": "CID:5291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398506", "properties": { "id": "imatinib-SB-590885 similarity", "source_label": "imatinib", "target_label": "SB-590885", "cosine_similarity": 0.4472560882568359 } }, { "source": "CID:444036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "fluticasone-propionate-dexamethasone similarity", "source_label": "fluticasone-propionate", "target_label": "dexamethasone", "cosine_similarity": 0.7007898688316345 } }, { "source": "CID:5666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "viloxazine-SA-1459849 similarity", "source_label": "viloxazine", "target_label": "SA-1459849", "cosine_similarity": 0.247818037867546 } }, { "source": "CID:24747230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484295", "properties": { "id": "UTMB-00042-SA-90544 similarity", "source_label": "UTMB-00042", "target_label": "SA-90544", "cosine_similarity": 0.2010010182857513 } }, { "source": "CID:5281071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "olopatadine-hydrocortisone-acetate similarity", "source_label": "olopatadine", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.2594499289989471 } }, { "source": "CID:4259181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "SCH-79797-tamoxifen similarity", "source_label": "SCH-79797", "target_label": "tamoxifen", "cosine_similarity": 0.5322361588478088 } }, { "source": "CID:9840076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "AG-14361-BML-259 similarity", "source_label": "AG-14361", "target_label": "BML-259", "cosine_similarity": 0.7960384488105774 } }, { "source": "CID:10322450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "KO-143-cyclosporin-a similarity", "source_label": "KO-143", "target_label": "cyclosporin-a", "cosine_similarity": 0.6660422086715698 } }, { "source": "CID:25031915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "lucitanib-arbutin similarity", "source_label": "lucitanib", "target_label": "arbutin", "cosine_similarity": 0.3699995279312134 } }, { "source": "CID:386331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2904", "properties": { "id": "quercetagetin-cyclopenthiazide similarity", "source_label": "quercetagetin", "target_label": "cyclopenthiazide", "cosine_similarity": 0.172866940498352 } }, { "source": "CID:65599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "lomifylline-dubinidine similarity", "source_label": "lomifylline", "target_label": "dubinidine", "cosine_similarity": 0.3347859680652618 } }, { "source": "CID:44504326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-103013-SA-419090 similarity", "source_label": "SA-103013", "target_label": "SA-419090", "cosine_similarity": 0.3375189006328583 } }, { "source": "CID:3489614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "CGP-54626-minoxidil similarity", "source_label": "CGP-54626", "target_label": "minoxidil", "cosine_similarity": 0.3320208787918091 } }, { "source": "CID:174174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "atropine-dichlorophen similarity", "source_label": "atropine", "target_label": "dichlorophen", "cosine_similarity": 0.2679438292980194 } }, { "source": "CID:5353842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "OBAA-BMS-191011 similarity", "source_label": "OBAA", "target_label": "BMS-191011", "cosine_similarity": 0.3214925229549408 } }, { "source": "CID:133002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "PG-9-VU-0366968 similarity", "source_label": "PG-9", "target_label": "VU-0366968", "cosine_similarity": 0.2553738951683044 } }, { "source": "CID:11960529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "veliparib-BML-259 similarity", "source_label": "veliparib", "target_label": "BML-259", "cosine_similarity": 0.438156247138977 } }, { "source": "CID:45138674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "letermovir-cianidanol similarity", "source_label": "letermovir", "target_label": "cianidanol", "cosine_similarity": 0.3270536065101623 } }, { "source": "CID:56965963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "KIN001-242-GNF-2 similarity", "source_label": "KIN001-242", "target_label": "GNF-2", "cosine_similarity": 0.5695075392723083 } }, { "source": "CID:124172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7972413", "properties": { "id": "SC-9-KB188-III-56 similarity", "source_label": "SC-9", "target_label": "KB188-III-56", "cosine_similarity": 0.2803521454334259 } }, { "source": "CID:190901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49806720", "properties": { "id": "N-MPPP-alectinib similarity", "source_label": "N-MPPP", "target_label": "alectinib", "cosine_similarity": 0.2181399315595626 } }, { "source": "CID:1894361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "AMN-082-alfuzosin similarity", "source_label": "AMN-082", "target_label": "alfuzosin", "cosine_similarity": 0.2033812701702118 } }, { "source": "CID:6419753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "D-4476-tamoxifen similarity", "source_label": "D-4476", "target_label": "tamoxifen", "cosine_similarity": 0.499143898487091 } }, { "source": "CID:6082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71158", "properties": { "id": "methoxamine-acamprosate similarity", "source_label": "methoxamine", "target_label": "acamprosate", "cosine_similarity": 0.2537335455417633 } }, { "source": "CID:132519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "ilomastat-vismodegib similarity", "source_label": "ilomastat", "target_label": "vismodegib", "cosine_similarity": 0.3762886524200439 } }, { "source": "CID:6918493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9823820", "properties": { "id": "ambrisentan-lenvatinib similarity", "source_label": "ambrisentan", "target_label": "lenvatinib", "cosine_similarity": 0.5214403867721558 } }, { "source": "CID:3316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "exalamide-entecavir similarity", "source_label": "exalamide", "target_label": "entecavir", "cosine_similarity": 0.3907328844070434 } }, { "source": "CID:6399253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "cefdinir-2-iminobiotin similarity", "source_label": "cefdinir", "target_label": "2-iminobiotin", "cosine_similarity": 0.3638629019260406 } }, { "source": "CID:5944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186978", "properties": { "id": "cantharidin-SA-1938219 similarity", "source_label": "cantharidin", "target_label": "SA-1938219", "cosine_similarity": 0.2885475754737854 } }, { "source": "CID:133621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "imiloxan-granisetron similarity", "source_label": "imiloxan", "target_label": "granisetron", "cosine_similarity": 0.5535463094711304 } }, { "source": "CID:2950007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856224", "properties": { "id": "ML-141-FU-JMBII113B similarity", "source_label": "ML-141", "target_label": "FU-JMBII113B", "cosine_similarity": 0.2250998616218567 } }, { "source": "CID:60703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "eliprodil-TUL-XX025TFA similarity", "source_label": "eliprodil", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2590982019901275 } }, { "source": "CID:36811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1417813", "properties": { "id": "dobutamine-MW-STK33-1A similarity", "source_label": "dobutamine", "target_label": "MW-STK33-1A", "cosine_similarity": 0.221452996134758 } }, { "source": "CID:5701996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10223146", "properties": { "id": "isoreserpine-JTE-013 similarity", "source_label": "isoreserpine", "target_label": "JTE-013", "cosine_similarity": 0.2427168637514114 } }, { "source": "CID:44143700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483932", "properties": { "id": "KUC103424N-SA-423862 similarity", "source_label": "KUC103424N", "target_label": "SA-423862", "cosine_similarity": 0.2228496819734573 } }, { "source": "CID:54659344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "SA-1457415-SA-90471 similarity", "source_label": "SA-1457415", "target_label": "SA-90471", "cosine_similarity": 0.4351101219654083 } }, { "source": "CID:57345770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "KI-20227-KIN001-055 similarity", "source_label": "KI-20227", "target_label": "KIN001-055", "cosine_similarity": 0.4167801439762115 } }, { "source": "CID:4977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "proxyphylline-butylated-hydroxytoluene similarity", "source_label": "proxyphylline", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.5289739370346069 } }, { "source": "CID:44483259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637858", "properties": { "id": "manumycin-a-piperlongumine similarity", "source_label": "manumycin-a", "target_label": "piperlongumine", "cosine_similarity": 0.7471307516098022 } }, { "source": "CID:10160238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "tasisulam-zidovudine similarity", "source_label": "tasisulam", "target_label": "zidovudine", "cosine_similarity": 0.2814580798149109 } }, { "source": "CID:176157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "NBI-27914-T-5345967 similarity", "source_label": "NBI-27914", "target_label": "T-5345967", "cosine_similarity": 0.251368761062622 } }, { "source": "CID:3654103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "BRL-15572-pentoxifylline similarity", "source_label": "BRL-15572", "target_label": "pentoxifylline", "cosine_similarity": 0.2166243195533752 } }, { "source": "CID:158781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "olmesartan-EMF-sumo1-6 similarity", "source_label": "olmesartan", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2490329444408416 } }, { "source": "CID:127861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "BMY-45778-EMF-bca1-16 similarity", "source_label": "BMY-45778", "target_label": "EMF-bca1-16", "cosine_similarity": 0.489817202091217 } }, { "source": "CID:33572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "ritodrine-methimazole similarity", "source_label": "ritodrine", "target_label": "methimazole", "cosine_similarity": 0.3250502645969391 } }, { "source": "CID:11001318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "tafamidis-meglumine-lorcaserin similarity", "source_label": "tafamidis-meglumine", "target_label": "lorcaserin", "cosine_similarity": 0.377852588891983 } }, { "source": "CID:1417813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10172943", "properties": { "id": "MW-STK33-1A-A-443654 similarity", "source_label": "MW-STK33-1A", "target_label": "A-443654", "cosine_similarity": 0.3300818204879761 } }, { "source": "CID:5280483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "phylloquinone-7-nitroindazole similarity", "source_label": "phylloquinone", "target_label": "7-nitroindazole", "cosine_similarity": 0.2488418966531753 } }, { "source": "CID:135398737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "clozapine-estramustine-phosphate similarity", "source_label": "clozapine", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4919212758541107 } }, { "source": "CID:387447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:462382", "properties": { "id": "bortezomib-MG-132 similarity", "source_label": "bortezomib", "target_label": "MG-132", "cosine_similarity": 0.8332242965698242 } }, { "source": "CID:65351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "pyrrolidine-dithiocarbamate-EMF-bca1-16 similarity", "source_label": "pyrrolidine-dithiocarbamate", "target_label": "EMF-bca1-16", "cosine_similarity": 0.6134433746337891 } }, { "source": "CID:24857286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16122663", "properties": { "id": "TAK-875-mericitabine similarity", "source_label": "TAK-875", "target_label": "mericitabine", "cosine_similarity": 0.2991414666175842 } }, { "source": "CID:3310692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281707", "properties": { "id": "leoidin-coumestrol similarity", "source_label": "leoidin", "target_label": "coumestrol", "cosine_similarity": 0.2590976357460022 } }, { "source": "CID:16734800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "LXR-623-S-18986 similarity", "source_label": "LXR-623", "target_label": "S-18986", "cosine_similarity": 0.3991943597793579 } }, { "source": "CID:24180719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "PLX-4720-sorafenib similarity", "source_label": "PLX-4720", "target_label": "sorafenib", "cosine_similarity": 0.4289095997810364 } }, { "source": "CID:65057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "diphencyprone-EMF-bca1-16 similarity", "source_label": "diphencyprone", "target_label": "EMF-bca1-16", "cosine_similarity": 0.4849587678909302 } }, { "source": "CID:123600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "levalbuterol-phenylbutazone similarity", "source_label": "levalbuterol", "target_label": "phenylbutazone", "cosine_similarity": 0.2912220060825348 } }, { "source": "CID:5281881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132846", "properties": { "id": "flupentixol-L-733060 similarity", "source_label": "flupentixol", "target_label": "L-733060", "cosine_similarity": 0.5039249062538147 } }, { "source": "CID:135886613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3785", "properties": { "id": "BG-1031-itdac-1 similarity", "source_label": "BG-1031", "target_label": "itdac-1", "cosine_similarity": 0.4021030366420746 } }, { "source": "CID:11442891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25073775", "properties": { "id": "danusertib-VS-4718 similarity", "source_label": "danusertib", "target_label": "VS-4718", "cosine_similarity": 0.4644537270069122 } }, { "source": "CID:12810432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "cefotiam-BMS-191011 similarity", "source_label": "cefotiam", "target_label": "BMS-191011", "cosine_similarity": 0.2803983390331268 } }, { "source": "CID:449215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4410", "properties": { "id": "cycloserine-nadifloxacin similarity", "source_label": "cycloserine", "target_label": "nadifloxacin", "cosine_similarity": 0.2819741666316986 } }, { "source": "CID:1720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398738", "properties": { "id": "CS-1657-dacarbazine similarity", "source_label": "CS-1657", "target_label": "dacarbazine", "cosine_similarity": 0.2656733989715576 } }, { "source": "CID:4950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "propylthiouracil-grazoprevir similarity", "source_label": "propylthiouracil", "target_label": "grazoprevir", "cosine_similarity": 0.4111926555633545 } }, { "source": "CID:6433118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "lirimilast-miglustat similarity", "source_label": "lirimilast", "target_label": "miglustat", "cosine_similarity": 0.4076065123081207 } }, { "source": "CID:10029385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3387354", "properties": { "id": "LY-2090314-SB-218078 similarity", "source_label": "LY-2090314", "target_label": "SB-218078", "cosine_similarity": 0.5012214779853821 } }, { "source": "CID:54658692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126280", "properties": { "id": "SA-1458163-indatraline similarity", "source_label": "SA-1458163", "target_label": "indatraline", "cosine_similarity": 0.2179824858903885 } }, { "source": "CID:9904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10026128", "properties": { "id": "nandrolone-WAY-362450 similarity", "source_label": "nandrolone", "target_label": "WAY-362450", "cosine_similarity": 0.2444863021373748 } }, { "source": "CID:46861623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132449", "properties": { "id": "AZD-9668-L-690330 similarity", "source_label": "AZD-9668", "target_label": "L-690330", "cosine_similarity": 0.3739238083362579 } }, { "source": "CID:122150", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "saclofen-UB-165 similarity", "source_label": "saclofen", "target_label": "UB-165", "cosine_similarity": 0.3247538805007934 } }, { "source": "CID:177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10377751", "properties": { "id": "acetaldehyde-AS-605240 similarity", "source_label": "acetaldehyde", "target_label": "AS-605240", "cosine_similarity": 0.273562878370285 } }, { "source": "CID:2284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "baclofen-cefprozil similarity", "source_label": "baclofen", "target_label": "cefprozil", "cosine_similarity": 0.2519956231117248 } }, { "source": "CID:448799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "epothilone-a-docetaxel similarity", "source_label": "epothilone-a", "target_label": "docetaxel", "cosine_similarity": 0.6054907441139221 } }, { "source": "CID:442428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3306", "properties": { "id": "naringin-etilefrine similarity", "source_label": "naringin", "target_label": "etilefrine", "cosine_similarity": 0.3026475012302398 } }, { "source": "CID:3957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "loratadine-repaglinide similarity", "source_label": "loratadine", "target_label": "repaglinide", "cosine_similarity": 0.3751894831657409 } }, { "source": "CID:4514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "nizofenone-tecastemizole similarity", "source_label": "nizofenone", "target_label": "tecastemizole", "cosine_similarity": 0.325639933347702 } }, { "source": "CID:13037657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220172", "properties": { "id": "anecortave-acetate-ivacaftor similarity", "source_label": "anecortave-acetate", "target_label": "ivacaftor", "cosine_similarity": 0.4835173189640045 } }, { "source": "CID:11857239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "narlaprevir-anecortave-acetate similarity", "source_label": "narlaprevir", "target_label": "anecortave-acetate", "cosine_similarity": 0.2818571925163269 } }, { "source": "CID:25031915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610281", "properties": { "id": "lucitanib-lithium-chloride similarity", "source_label": "lucitanib", "target_label": "lithium-chloride", "cosine_similarity": 0.3572602272033691 } }, { "source": "CID:8362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "homosalate-DAC-012 similarity", "source_label": "homosalate", "target_label": "DAC-012", "cosine_similarity": 0.2764540016651153 } }, { "source": "CID:45105106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9958279", "properties": { "id": "isometheptene-S-26948 similarity", "source_label": "isometheptene", "target_label": "S-26948", "cosine_similarity": 0.1864672899246215 } }, { "source": "CID:9892554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "EMD-84-KIN001-269 similarity", "source_label": "EMD-84", "target_label": "KIN001-269", "cosine_similarity": 0.2994813621044159 } }, { "source": "CID:10410310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "tetracycline-erlotinib similarity", "source_label": "tetracycline", "target_label": "erlotinib", "cosine_similarity": 0.5135750770568848 } }, { "source": "CID:5212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "sildenafil-CGS-21680 similarity", "source_label": "sildenafil", "target_label": "CGS-21680", "cosine_similarity": 0.4446079432964325 } }, { "source": "CID:18283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "stavudine-D-serine similarity", "source_label": "stavudine", "target_label": "D-serine", "cosine_similarity": 0.3317980468273163 } }, { "source": "CID:6449767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "arvanil-CVF-SUMO-11 similarity", "source_label": "arvanil", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.4486305713653564 } }, { "source": "CID:5092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "rolipram-Y-27632 similarity", "source_label": "rolipram", "target_label": "Y-27632", "cosine_similarity": 0.4761350750923157 } }, { "source": "CID:3016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "diazepam-levosulpiride similarity", "source_label": "diazepam", "target_label": "levosulpiride", "cosine_similarity": 0.2979519069194793 } }, { "source": "CID:65856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "reboxetine-epirizole similarity", "source_label": "reboxetine", "target_label": "epirizole", "cosine_similarity": 0.412858247756958 } }, { "source": "CID:4668801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "ITE-ingenol similarity", "source_label": "ITE", "target_label": "ingenol", "cosine_similarity": 0.2312308996915817 } }, { "source": "CID:2950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3083928", "properties": { "id": "dantron-fraxidin similarity", "source_label": "dantron", "target_label": "fraxidin", "cosine_similarity": 0.2180093228816986 } }, { "source": "CID:52914946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59239165", "properties": { "id": "GSK-2126458-GDC-0349 similarity", "source_label": "GSK-2126458", "target_label": "GDC-0349", "cosine_similarity": 0.6354963779449463 } }, { "source": "CID:1130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72894", "properties": { "id": "thiamine-2-aminobenzenesulfonamide similarity", "source_label": "thiamine", "target_label": "2-aminobenzenesulfonamide", "cosine_similarity": 0.255047470331192 } }, { "source": "CID:5055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2381", "properties": { "id": "resorcinol-biperiden similarity", "source_label": "resorcinol", "target_label": "biperiden", "cosine_similarity": 0.3739299178123474 } }, { "source": "CID:78357816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "VT-464-D-serine similarity", "source_label": "VT-464", "target_label": "D-serine", "cosine_similarity": 0.3723200261592865 } }, { "source": "CID:23891514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5337366", "properties": { "id": "I-606061-SA-25547 similarity", "source_label": "I-606061", "target_label": "SA-25547", "cosine_similarity": 0.6901516914367676 } }, { "source": "CID:4020240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "sericetin-MW-MITF9 similarity", "source_label": "sericetin", "target_label": "MW-MITF9", "cosine_similarity": 0.285624623298645 } }, { "source": "CID:213023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "dabigatran-etexilate-tandutinib similarity", "source_label": "dabigatran-etexilate", "target_label": "tandutinib", "cosine_similarity": 0.3329446911811828 } }, { "source": "CID:5328940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "bosutinib-ponatinib similarity", "source_label": "bosutinib", "target_label": "ponatinib", "cosine_similarity": 0.5077685713768005 } }, { "source": "CID:3342390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "K-788-2192-terfenadine similarity", "source_label": "K-788-2192", "target_label": "terfenadine", "cosine_similarity": 0.2921053469181061 } }, { "source": "CID:14973220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "SD-169-PSH-024 similarity", "source_label": "SD-169", "target_label": "PSH-024", "cosine_similarity": 0.2847342193126678 } }, { "source": "CID:2688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "CGP-37157-thiazolopyrimidine similarity", "source_label": "CGP-37157", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.5159482955932617 } }, { "source": "CID:44483340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11644425", "properties": { "id": "GW-6471-CGP-57380 similarity", "source_label": "GW-6471", "target_label": "CGP-57380", "cosine_similarity": 0.2942125797271728 } }, { "source": "CID:31703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41867", "properties": { "id": "doxorubicin-epirubicin similarity", "source_label": "doxorubicin", "target_label": "epirubicin", "cosine_similarity": 0.8539475798606873 } }, { "source": "CID:5336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "sulfapyridine-CGS-21680 similarity", "source_label": "sulfapyridine", "target_label": "CGS-21680", "cosine_similarity": 0.2735997140407562 } }, { "source": "CID:46897843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "VU-0420364-1-linifanib similarity", "source_label": "VU-0420364-1", "target_label": "linifanib", "cosine_similarity": 0.3259238302707672 } }, { "source": "CID:1993104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927531", "properties": { "id": "RAN-07-BIBR-1532 similarity", "source_label": "RAN-07", "target_label": "BIBR-1532", "cosine_similarity": 0.2948085367679596 } }, { "source": "CID:10767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "amyleine-leu-enkephalin similarity", "source_label": "amyleine", "target_label": "leu-enkephalin", "cosine_similarity": 0.3980355560779571 } }, { "source": "CID:40692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "mefloquine-L-655240 similarity", "source_label": "mefloquine", "target_label": "L-655240", "cosine_similarity": 0.420791357755661 } }, { "source": "CID:46216796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "pacritinib-roscovitine similarity", "source_label": "pacritinib", "target_label": "roscovitine", "cosine_similarity": 0.4006057381629944 } }, { "source": "CID:4694339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "UB-165-ifosfamide similarity", "source_label": "UB-165", "target_label": "ifosfamide", "cosine_similarity": 0.5819771885871887 } }, { "source": "CID:73707534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5153532", "properties": { "id": "KDM-103-BG-1021 similarity", "source_label": "KDM-103", "target_label": "BG-1021", "cosine_similarity": 0.252194881439209 } }, { "source": "CID:4755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "phenamil-SMER-28 similarity", "source_label": "phenamil", "target_label": "SMER-28", "cosine_similarity": 0.2623773217201233 } }, { "source": "CID:1505784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11249248", "properties": { "id": "SJB-AF-2-BMS-299897 similarity", "source_label": "SJB-AF-2", "target_label": "BMS-299897", "cosine_similarity": 0.2167269736528396 } }, { "source": "CID:9953769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "RS-504393-SA-1921456 similarity", "source_label": "RS-504393", "target_label": "SA-1921456", "cosine_similarity": 0.5416269302368164 } }, { "source": "CID:4160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11289", "properties": { "id": "methyl-testosterone-chlorotrianisene similarity", "source_label": "methyl-testosterone", "target_label": "chlorotrianisene", "cosine_similarity": 0.263647586107254 } }, { "source": "CID:5282136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3342298", "properties": { "id": "lafutidine-CTS-1027 similarity", "source_label": "lafutidine", "target_label": "CTS-1027", "cosine_similarity": 0.4516848623752594 } }, { "source": "CID:6708769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92409", "properties": { "id": "buddleoflavonoloside-SKF-89976A similarity", "source_label": "buddleoflavonoloside", "target_label": "SKF-89976A", "cosine_similarity": 0.2905830442905426 } }, { "source": "CID:15983966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "GSK-461364-paclitaxel similarity", "source_label": "GSK-461364", "target_label": "paclitaxel", "cosine_similarity": 0.6876404285430908 } }, { "source": "CID:9955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "2-aminopurine-PT-630 similarity", "source_label": "2-aminopurine", "target_label": "PT-630", "cosine_similarity": 0.2397591322660446 } }, { "source": "CID:3538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "GYKI-52466-roflumilast similarity", "source_label": "GYKI-52466", "target_label": "roflumilast", "cosine_similarity": 0.2740573585033417 } }, { "source": "CID:66558664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "E-7438-resatorvid similarity", "source_label": "E-7438", "target_label": "resatorvid", "cosine_similarity": 0.5423328876495361 } }, { "source": "CID:1401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328940", "properties": { "id": "PD-173074-bosutinib similarity", "source_label": "PD-173074", "target_label": "bosutinib", "cosine_similarity": 0.503801167011261 } }, { "source": "CID:44494477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23844163", "properties": { "id": "SA-243913-NK42-I-109-1 similarity", "source_label": "SA-243913", "target_label": "NK42-I-109-1", "cosine_similarity": 0.2411355078220367 } }, { "source": "CID:42642648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11438771", "properties": { "id": "ARRY-334543-basimglurant similarity", "source_label": "ARRY-334543", "target_label": "basimglurant", "cosine_similarity": 0.3708952665328979 } }, { "source": "CID:24747231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "JAS07-009-NM-PP1 similarity", "source_label": "JAS07-009", "target_label": "NM-PP1", "cosine_similarity": 0.2282594889402389 } }, { "source": "CID:49381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "fluperlapine-VX-745 similarity", "source_label": "fluperlapine", "target_label": "VX-745", "cosine_similarity": 0.2171930819749832 } }, { "source": "CID:30668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033825", "properties": { "id": "lofexidine-levosimendan similarity", "source_label": "lofexidine", "target_label": "levosimendan", "cosine_similarity": 0.4891673028469085 } }, { "source": "CID:135400439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "KF-38789-vincristine similarity", "source_label": "KF-38789", "target_label": "vincristine", "cosine_similarity": 0.6071821451187134 } }, { "source": "CID:5362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707421", "properties": { "id": "suxibuzone-ascorbic-acid similarity", "source_label": "suxibuzone", "target_label": "ascorbic-acid", "cosine_similarity": 0.2099565118551254 } }, { "source": "CID:2354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3969", "properties": { "id": "diminazene-aceturate-tomelukast similarity", "source_label": "diminazene-aceturate", "target_label": "tomelukast", "cosine_similarity": 0.3010761141777038 } }, { "source": "CID:5284627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "topiramate-imiloxan similarity", "source_label": "topiramate", "target_label": "imiloxan", "cosine_similarity": 0.4989857077598572 } }, { "source": "CID:17277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6572379", "properties": { "id": "methyl-dopate-PSH-013 similarity", "source_label": "methyl-dopate", "target_label": "PSH-013", "cosine_similarity": 0.2306662499904632 } }, { "source": "CID:6451164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11615393", "properties": { "id": "rilpivirine-telmesteine similarity", "source_label": "rilpivirine", "target_label": "telmesteine", "cosine_similarity": 0.3524821698665619 } }, { "source": "CID:3763775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "MW-MITF22-evodiamine similarity", "source_label": "MW-MITF22", "target_label": "evodiamine", "cosine_similarity": 0.3789440393447876 } }, { "source": "CID:49842983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "SD-6-035-A2-BG-STK33-55 similarity", "source_label": "SD-6-035-A2", "target_label": "BG-STK33-55", "cosine_similarity": 0.3189188838005066 } }, { "source": "CID:50878566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10026128", "properties": { "id": "S-ruxolitinib-WAY-362450 similarity", "source_label": "S-ruxolitinib", "target_label": "WAY-362450", "cosine_similarity": 0.3548267483711242 } }, { "source": "CID:175540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6560164", "properties": { "id": "atenolol-azlocillin similarity", "source_label": "atenolol", "target_label": "azlocillin", "cosine_similarity": 0.3088417649269104 } }, { "source": "CID:12041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "ethyl-pyruvate-nilvadipine similarity", "source_label": "ethyl-pyruvate", "target_label": "nilvadipine", "cosine_similarity": 0.2518045306205749 } }, { "source": "CID:12560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66265", "properties": { "id": "erythromycin-dexfenfluramine similarity", "source_label": "erythromycin", "target_label": "dexfenfluramine", "cosine_similarity": 0.3676668703556061 } }, { "source": "CID:3689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "ifenprodil-sulpiride similarity", "source_label": "ifenprodil", "target_label": "sulpiride", "cosine_similarity": 0.2679367363452911 } }, { "source": "CID:53321987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "bafilomycin-SA-1921456 similarity", "source_label": "bafilomycin", "target_label": "SA-1921456", "cosine_similarity": 0.4151123166084289 } }, { "source": "CID:5052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "mepireserpate-gliclazide similarity", "source_label": "mepireserpate", "target_label": "gliclazide", "cosine_similarity": 0.5535029172897339 } }, { "source": "CID:54613931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "SA-441412-SA-90024 similarity", "source_label": "SA-441412", "target_label": "SA-90024", "cosine_similarity": 0.3554585874080658 } }, { "source": "CID:2315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "bendroflumethiazide-levamisole similarity", "source_label": "bendroflumethiazide", "target_label": "levamisole", "cosine_similarity": 0.3143784701824188 } }, { "source": "CID:5310966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5496659", "properties": { "id": "varenicline-otamixaban similarity", "source_label": "varenicline", "target_label": "otamixaban", "cosine_similarity": 0.4118094444274902 } }, { "source": "CID:4299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "W-13-PI-103 similarity", "source_label": "W-13", "target_label": "PI-103", "cosine_similarity": 0.2380920201539993 } }, { "source": "CID:5282379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "isotretinoin-MW-MITF22 similarity", "source_label": "isotretinoin", "target_label": "MW-MITF22", "cosine_similarity": 0.3169163167476654 } }, { "source": "CID:4826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "pinacidil-ifosfamide similarity", "source_label": "pinacidil", "target_label": "ifosfamide", "cosine_similarity": 0.7371991872787476 } }, { "source": "CID:6610313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "ryanodine-BMS-641988 similarity", "source_label": "ryanodine", "target_label": "BMS-641988", "cosine_similarity": 0.2935260236263275 } }, { "source": "CID:130313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15376", "properties": { "id": "sulbactam-vincamine similarity", "source_label": "sulbactam", "target_label": "vincamine", "cosine_similarity": 0.3155757784843445 } }, { "source": "CID:1102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66490", "properties": { "id": "spermidine-NCI-16221 similarity", "source_label": "spermidine", "target_label": "NCI-16221", "cosine_similarity": 0.2436440587043762 } }, { "source": "CID:67361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176408", "properties": { "id": "thiomersal-SCH-58261 similarity", "source_label": "thiomersal", "target_label": "SCH-58261", "cosine_similarity": 0.3485236763954162 } }, { "source": "CID:129009918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "pregnenolone-AC-55649 similarity", "source_label": "pregnenolone", "target_label": "AC-55649", "cosine_similarity": 0.4979520440101623 } }, { "source": "CID:124172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747272", "properties": { "id": "SC-9-PSH-023 similarity", "source_label": "SC-9", "target_label": "PSH-023", "cosine_similarity": 0.278540551662445 } }, { "source": "CID:7791937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1022-BML-210 similarity", "source_label": "BG-1022", "target_label": "BML-210", "cosine_similarity": 0.4356116950511932 } }, { "source": "CID:1548887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "sulindac-A-769662 similarity", "source_label": "sulindac", "target_label": "A-769662", "cosine_similarity": 0.2868761718273163 } }, { "source": "CID:6918155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "ciclesonide-fluocinolone-acetonide similarity", "source_label": "ciclesonide", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.5669177174568176 } }, { "source": "CID:6780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "anthraquinone-metacetamol similarity", "source_label": "anthraquinone", "target_label": "metacetamol", "cosine_similarity": 0.4876456260681152 } }, { "source": "CID:9813758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "BMS-345541-linifanib similarity", "source_label": "BMS-345541", "target_label": "linifanib", "cosine_similarity": 0.6637551784515381 } }, { "source": "CID:69550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "acefylline-imiloxan similarity", "source_label": "acefylline", "target_label": "imiloxan", "cosine_similarity": 0.2246401160955429 } }, { "source": "CID:4928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "prometon-L-ergothioneine similarity", "source_label": "prometon", "target_label": "L-ergothioneine", "cosine_similarity": 0.2492362409830093 } }, { "source": "CID:135564558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "PF-04447943-dipyridamole similarity", "source_label": "PF-04447943", "target_label": "dipyridamole", "cosine_similarity": 0.3138040006160736 } }, { "source": "CID:16122663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "mericitabine-docetaxel similarity", "source_label": "mericitabine", "target_label": "docetaxel", "cosine_similarity": 0.3310655653476715 } }, { "source": "CID:5281901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135409453", "properties": { "id": "oligomycin-c-tegaserod similarity", "source_label": "oligomycin-c", "target_label": "tegaserod", "cosine_similarity": 0.5306723117828369 } }, { "source": "CID:107867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "otenzepad-KU-C104236N similarity", "source_label": "otenzepad", "target_label": "KU-C104236N", "cosine_similarity": 0.187412828207016 } }, { "source": "CID:31373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "tetrachloroethylene-FTI-276 similarity", "source_label": "tetrachloroethylene", "target_label": "FTI-276", "cosine_similarity": 0.3352711796760559 } }, { "source": "CID:11538455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "JNJ-26481585-PCI-24781 similarity", "source_label": "JNJ-26481585", "target_label": "PCI-24781", "cosine_similarity": 0.889383852481842 } }, { "source": "CID:5749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "oxyphenonium-PTB1 similarity", "source_label": "oxyphenonium", "target_label": "PTB1", "cosine_similarity": 0.2296943962574005 } }, { "source": "CID:68093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "dipyrocetyl-furazolidone similarity", "source_label": "dipyrocetyl", "target_label": "furazolidone", "cosine_similarity": 0.5672793388366699 } }, { "source": "CID:54660081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483885", "properties": { "id": "SA-1456859-SA-244237 similarity", "source_label": "SA-1456859", "target_label": "SA-244237", "cosine_similarity": 0.2807240486145019 } }, { "source": "CID:10296883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71157", "properties": { "id": "sotrastaurin-nefiracetam similarity", "source_label": "sotrastaurin", "target_label": "nefiracetam", "cosine_similarity": 0.2938433289527893 } }, { "source": "CID:691928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "ST-4029655-phenothiazine similarity", "source_label": "ST-4029655", "target_label": "phenothiazine", "cosine_similarity": 0.3855119347572326 } }, { "source": "CID:5055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "resorcinol-thalidomide similarity", "source_label": "resorcinol", "target_label": "thalidomide", "cosine_similarity": 0.3984450995922088 } }, { "source": "CID:6604471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "methiazole-vinblastine similarity", "source_label": "methiazole", "target_label": "vinblastine", "cosine_similarity": 0.4606938064098358 } }, { "source": "CID:1622530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "coumaric-acid-CAM-9-021 similarity", "source_label": "coumaric-acid", "target_label": "CAM-9-021", "cosine_similarity": 0.3111485242843628 } }, { "source": "CID:4250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5501", "properties": { "id": "morantel-todralazine similarity", "source_label": "morantel", "target_label": "todralazine", "cosine_similarity": 0.2575123608112335 } }, { "source": "CID:124846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "HTMT-NCS-382 similarity", "source_label": "HTMT", "target_label": "NCS-382", "cosine_similarity": 0.2864686548709869 } }, { "source": "CID:449171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "alitretinoin-AM-580 similarity", "source_label": "alitretinoin", "target_label": "AM-580", "cosine_similarity": 0.4411426186561584 } }, { "source": "CID:2787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443872", "properties": { "id": "clinofibrate-eplerenone similarity", "source_label": "clinofibrate", "target_label": "eplerenone", "cosine_similarity": 0.2467056214809417 } }, { "source": "CID:68712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "rilmenidine-mestranol similarity", "source_label": "rilmenidine", "target_label": "mestranol", "cosine_similarity": 0.4560399055480957 } }, { "source": "CID:50942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "doxofylline-mirtazapine similarity", "source_label": "doxofylline", "target_label": "mirtazapine", "cosine_similarity": 0.359310895204544 } }, { "source": "CID:54660187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-1455822-SA-1456625 similarity", "source_label": "SA-1455822", "target_label": "SA-1456625", "cosine_similarity": 0.463658720254898 } }, { "source": "CID:4680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2812", "properties": { "id": "papaverine-clotrimazole similarity", "source_label": "papaverine", "target_label": "clotrimazole", "cosine_similarity": 0.3692217171192169 } }, { "source": "CID:60464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "sparfloxacin-balicatib similarity", "source_label": "sparfloxacin", "target_label": "balicatib", "cosine_similarity": 0.5959616303443909 } }, { "source": "CID:71447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "talampicillin-Gossypetin similarity", "source_label": "talampicillin", "target_label": "Gossypetin", "cosine_similarity": 0.2922394871711731 } }, { "source": "CID:5280723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610344", "properties": { "id": "alprostadil-forskolin similarity", "source_label": "alprostadil", "target_label": "forskolin", "cosine_similarity": 0.7885213494300842 } }, { "source": "CID:2995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "desipramine-RS-17053 similarity", "source_label": "desipramine", "target_label": "RS-17053", "cosine_similarity": 0.5582508444786072 } }, { "source": "CID:68712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "rilmenidine-swainsonine similarity", "source_label": "rilmenidine", "target_label": "swainsonine", "cosine_similarity": 0.5116500854492188 } }, { "source": "CID:5961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "glutamine-MW-MITF24 similarity", "source_label": "glutamine", "target_label": "MW-MITF24", "cosine_similarity": 0.5685747861862183 } }, { "source": "CID:73265276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "WZ-7043-PD-184352 similarity", "source_label": "WZ-7043", "target_label": "PD-184352", "cosine_similarity": 0.3767140209674835 } }, { "source": "CID:5926218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4830", "properties": { "id": "RG-14620-pipamperone similarity", "source_label": "RG-14620", "target_label": "pipamperone", "cosine_similarity": 0.2960634529590606 } }, { "source": "CID:2803059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "CD-00491SC-NSC-95397 similarity", "source_label": "CD-00491SC", "target_label": "NSC-95397", "cosine_similarity": 0.2071560621261596 } }, { "source": "CID:24906282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10029385", "properties": { "id": "KIN001-043-LY-2090314 similarity", "source_label": "KIN001-043", "target_label": "LY-2090314", "cosine_similarity": 0.5893049240112305 } }, { "source": "CID:27873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "erythrosine-SA-1458610 similarity", "source_label": "erythrosine", "target_label": "SA-1458610", "cosine_similarity": 0.3516006767749786 } }, { "source": "CID:444008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "tibolone-rocuronium similarity", "source_label": "tibolone", "target_label": "rocuronium", "cosine_similarity": 0.4315574467182159 } }, { "source": "CID:54657678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669335", "properties": { "id": "SA-1456443-SA-1919551 similarity", "source_label": "SA-1456443", "target_label": "SA-1919551", "cosine_similarity": 0.2918359935283661 } }, { "source": "CID:11175137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265211", "properties": { "id": "AT-7867-XMD-1499 similarity", "source_label": "AT-7867", "target_label": "XMD-1499", "cosine_similarity": 0.350113034248352 } }, { "source": "CID:24771867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "alisertib-BMS-754807 similarity", "source_label": "alisertib", "target_label": "BMS-754807", "cosine_similarity": 0.5434286594390869 } }, { "source": "CID:5284513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "acitretin-ASN-05257430 similarity", "source_label": "acitretin", "target_label": "ASN-05257430", "cosine_similarity": 0.2667013108730316 } }, { "source": "CID:9547215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "bufalin-cymarin similarity", "source_label": "bufalin", "target_label": "cymarin", "cosine_similarity": 0.8646742701530457 } }, { "source": "CID:4097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "methantheline-rilmenidine similarity", "source_label": "methantheline", "target_label": "rilmenidine", "cosine_similarity": 0.2681268751621246 } }, { "source": "CID:5702106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:224246", "properties": { "id": "prednisolone-isoflupredone-acetate similarity", "source_label": "prednisolone", "target_label": "isoflupredone-acetate", "cosine_similarity": 0.3680937588214874 } }, { "source": "CID:5190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "DPI-201106-orphenadrine similarity", "source_label": "DPI-201106", "target_label": "orphenadrine", "cosine_similarity": 0.3384064137935638 } }, { "source": "CID:54659352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "SA-1455884-SA-90024 similarity", "source_label": "SA-1455884", "target_label": "SA-90024", "cosine_similarity": 0.3428367078304291 } }, { "source": "CID:68077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "tangeritin-SA-85148 similarity", "source_label": "tangeritin", "target_label": "SA-85148", "cosine_similarity": 0.2331409901380539 } }, { "source": "CID:7741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127404", "properties": { "id": "betazole-isamoltane similarity", "source_label": "betazole", "target_label": "isamoltane", "cosine_similarity": 0.1855982542037964 } }, { "source": "CID:5288600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "IC-261-vinblastine similarity", "source_label": "IC-261", "target_label": "vinblastine", "cosine_similarity": 0.6277515888214111 } }, { "source": "CID:5154691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "NM-PP1-gliclazide similarity", "source_label": "NM-PP1", "target_label": "gliclazide", "cosine_similarity": 0.4466931521892547 } }, { "source": "CID:72943187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71271629", "properties": { "id": "bromosporine-PFI-1 similarity", "source_label": "bromosporine", "target_label": "PFI-1", "cosine_similarity": 0.7172298431396484 } }, { "source": "CID:24856238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "FU-JMBII227B-cerulenin similarity", "source_label": "FU-JMBII227B", "target_label": "cerulenin", "cosine_similarity": 0.4248467683792114 } }, { "source": "CID:800654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "ARG-A1-22-EMF-sumo1-11 similarity", "source_label": "ARG-A1-22", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.3236644268035888 } }, { "source": "CID:790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:398148", "properties": { "id": "hypoxanthine-NU-6027 similarity", "source_label": "hypoxanthine", "target_label": "NU-6027", "cosine_similarity": 0.3740682601928711 } }, { "source": "CID:123631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "gefitinib-erlotinib similarity", "source_label": "gefitinib", "target_label": "erlotinib", "cosine_similarity": 0.5423790216445923 } }, { "source": "CID:3763775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "MW-MITF22-zebularine similarity", "source_label": "MW-MITF22", "target_label": "zebularine", "cosine_similarity": 0.3707999289035797 } }, { "source": "CID:5353431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "BAY-11-7082-MD-II-051 similarity", "source_label": "BAY-11-7082", "target_label": "MD-II-051", "cosine_similarity": 0.6624640822410583 } }, { "source": "CID:56965963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "KIN001-242-GW-5074 similarity", "source_label": "KIN001-242", "target_label": "GW-5074", "cosine_similarity": 0.3776732087135315 } }, { "source": "CID:44607965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "AMZ-30-sulfanitran similarity", "source_label": "AMZ-30", "target_label": "sulfanitran", "cosine_similarity": 0.2424628585577011 } }, { "source": "CID:6610216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "DL-PDMP-sertraline similarity", "source_label": "DL-PDMP", "target_label": "sertraline", "cosine_similarity": 0.5159655809402466 } }, { "source": "CID:5311451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "SR-142948-DAC-012 similarity", "source_label": "SR-142948", "target_label": "DAC-012", "cosine_similarity": 0.2292001396417617 } }, { "source": "CID:5311100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2419", "properties": { "id": "fluprostenol-BMY-7378 similarity", "source_label": "fluprostenol", "target_label": "BMY-7378", "cosine_similarity": 0.2868978381156921 } }, { "source": "CID:54657734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494477", "properties": { "id": "SA-1459173-SA-243913 similarity", "source_label": "SA-1459173", "target_label": "SA-243913", "cosine_similarity": 0.3286615014076233 } }, { "source": "CID:674282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "ST-001903-parbendazole similarity", "source_label": "ST-001903", "target_label": "parbendazole", "cosine_similarity": 0.2752309441566467 } }, { "source": "CID:639665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "xanthohumol-SKI-II similarity", "source_label": "xanthohumol", "target_label": "SKI-II", "cosine_similarity": 0.4486294984817505 } }, { "source": "CID:2148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4423767", "properties": { "id": "aminohippuric-acid-STK-674938 similarity", "source_label": "aminohippuric-acid", "target_label": "STK-674938", "cosine_similarity": 0.2503012120723724 } }, { "source": "CID:2783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "clenbuterol-tecastemizole similarity", "source_label": "clenbuterol", "target_label": "tecastemizole", "cosine_similarity": 0.3262654840946197 } }, { "source": "CID:3325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "famotidine-PYM-50028 similarity", "source_label": "famotidine", "target_label": "PYM-50028", "cosine_similarity": 0.3065285682678222 } }, { "source": "CID:46901937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "UNC-0321-zebularine similarity", "source_label": "UNC-0321", "target_label": "zebularine", "cosine_similarity": 0.4456833899021148 } }, { "source": "CID:3064778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760692", "properties": { "id": "hydroxyfasudil-U-0124 similarity", "source_label": "hydroxyfasudil", "target_label": "U-0124", "cosine_similarity": 0.3923883438110351 } }, { "source": "CID:46843906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843772", "properties": { "id": "XMD-1150-XMD-892 similarity", "source_label": "XMD-1150", "target_label": "XMD-892", "cosine_similarity": 0.703011155128479 } }, { "source": "CID:54618085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44617231", "properties": { "id": "SA-424068-SA-424371 similarity", "source_label": "SA-424068", "target_label": "SA-424371", "cosine_similarity": 0.2941718995571136 } }, { "source": "CID:44483247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "prednicarbate-dubinidine similarity", "source_label": "prednicarbate", "target_label": "dubinidine", "cosine_similarity": 0.3087138235569 } }, { "source": "CID:11646777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "LY-2334737-fluconazole similarity", "source_label": "LY-2334737", "target_label": "fluconazole", "cosine_similarity": 0.3336136937141418 } }, { "source": "CID:16659841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "AZD-1480-lenalidomide similarity", "source_label": "AZD-1480", "target_label": "lenalidomide", "cosine_similarity": 0.4007716476917267 } }, { "source": "CID:27447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "cephalexin-dubinidine similarity", "source_label": "cephalexin", "target_label": "dubinidine", "cosine_similarity": 0.2756339609622955 } }, { "source": "CID:53358942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:58573469", "properties": { "id": "RG-7388-AMG-232 similarity", "source_label": "RG-7388", "target_label": "AMG-232", "cosine_similarity": 0.5444454550743103 } }, { "source": "CID:4197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "milrinone-E-2012 similarity", "source_label": "milrinone", "target_label": "E-2012", "cosine_similarity": 0.3857024013996124 } }, { "source": "CID:193962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15224271", "properties": { "id": "etravirine-anidulafungin similarity", "source_label": "etravirine", "target_label": "anidulafungin", "cosine_similarity": 0.3116264641284942 } }, { "source": "CID:449196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "androstanol-BMS-641988 similarity", "source_label": "androstanol", "target_label": "BMS-641988", "cosine_similarity": 0.270741194486618 } }, { "source": "CID:5281365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "geranylgeraniol-phenoxazine similarity", "source_label": "geranylgeraniol", "target_label": "phenoxazine", "cosine_similarity": 0.2167889773845672 } }, { "source": "CID:2757788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "4-chlorophenylguanidine-zolpidem similarity", "source_label": "4-chlorophenylguanidine", "target_label": "zolpidem", "cosine_similarity": 0.2532102763652801 } }, { "source": "CID:456201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "ketoconazole-trifluoperazine similarity", "source_label": "ketoconazole", "target_label": "trifluoperazine", "cosine_similarity": 0.2680673003196716 } }, { "source": "CID:6918453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "auranofin-parthenolide similarity", "source_label": "auranofin", "target_label": "parthenolide", "cosine_similarity": 0.6294880509376526 } }, { "source": "CID:45110765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "VU-0400071-3-MW-MITF9 similarity", "source_label": "VU-0400071-3", "target_label": "MW-MITF9", "cosine_similarity": 0.252533346414566 } }, { "source": "CID:17534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "6-aminochrysene-BMS-641988 similarity", "source_label": "6-aminochrysene", "target_label": "BMS-641988", "cosine_similarity": 0.2402638047933578 } }, { "source": "CID:6839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "phensuximide-gemfibrozil similarity", "source_label": "phensuximide", "target_label": "gemfibrozil", "cosine_similarity": 0.5017991065979004 } }, { "source": "CID:73707514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5572", "properties": { "id": "atractyloside-trihexyphenidyl similarity", "source_label": "atractyloside", "target_label": "trihexyphenidyl", "cosine_similarity": 0.2437638491392135 } }, { "source": "CID:73707419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "chromomycin-a3-PIK-75 similarity", "source_label": "chromomycin-a3", "target_label": "PIK-75", "cosine_similarity": 0.7682278752326965 } }, { "source": "CID:73313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820633", "properties": { "id": "trimidox-KM-04501 similarity", "source_label": "trimidox", "target_label": "KM-04501", "cosine_similarity": 0.3194817006587982 } }, { "source": "CID:50910523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "ARG-CSC-91-phenoxazine similarity", "source_label": "ARG-CSC-91", "target_label": "phenoxazine", "cosine_similarity": 0.4476610124111175 } }, { "source": "CID:3998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "mafenide-prima-1-met similarity", "source_label": "mafenide", "target_label": "prima-1-met", "cosine_similarity": 0.2938141226768493 } }, { "source": "CID:5280378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "formononetin-CO-102862 similarity", "source_label": "formononetin", "target_label": "CO-102862", "cosine_similarity": 0.2769960463047027 } }, { "source": "CID:34359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620122", "properties": { "id": "carbidopa-SD-6-035-A9 similarity", "source_label": "carbidopa", "target_label": "SD-6-035-A9", "cosine_similarity": 0.2538772821426391 } }, { "source": "CID:6476406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11640390", "properties": { "id": "NP-010914-linsitinib similarity", "source_label": "NP-010914", "target_label": "linsitinib", "cosine_similarity": 0.2392001897096634 } }, { "source": "CID:3103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "diphenylpyraline-sulpiride similarity", "source_label": "diphenylpyraline", "target_label": "sulpiride", "cosine_similarity": 0.4260041117668152 } }, { "source": "CID:2337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "benzocaine-drofenine similarity", "source_label": "benzocaine", "target_label": "drofenine", "cosine_similarity": 0.2616556584835052 } }, { "source": "CID:57369718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "vecuronium-cefixime similarity", "source_label": "vecuronium", "target_label": "cefixime", "cosine_similarity": 0.4032730162143707 } }, { "source": "CID:1979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "aceclidine-IDRA-21 similarity", "source_label": "aceclidine", "target_label": "IDRA-21", "cosine_similarity": 0.353853702545166 } }, { "source": "CID:1923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "oxyquinoline-COL-3 similarity", "source_label": "oxyquinoline", "target_label": "COL-3", "cosine_similarity": 0.196015328168869 } }, { "source": "CID:4850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11949652", "properties": { "id": "piribedil-teneligliptin similarity", "source_label": "piribedil", "target_label": "teneligliptin", "cosine_similarity": 0.3437980711460113 } }, { "source": "CID:23874513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:438981", "properties": { "id": "asiaticoside-NSC-693868 similarity", "source_label": "asiaticoside", "target_label": "NSC-693868", "cosine_similarity": 0.2480784803628921 } }, { "source": "CID:6603897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "L-750667-ajmaline similarity", "source_label": "L-750667", "target_label": "ajmaline", "cosine_similarity": 0.2094805836677551 } }, { "source": "CID:5353454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "BW-B70C-dasatinib similarity", "source_label": "BW-B70C", "target_label": "dasatinib", "cosine_similarity": 0.2929909825325012 } }, { "source": "CID:146570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "escitalopram-mestranol similarity", "source_label": "escitalopram", "target_label": "mestranol", "cosine_similarity": 0.3390906155109405 } }, { "source": "CID:54687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38521", "properties": { "id": "pravastatin-guanadrel similarity", "source_label": "pravastatin", "target_label": "guanadrel", "cosine_similarity": 0.4249483346939087 } }, { "source": "CID:216345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "nutlin-3-teniposide similarity", "source_label": "nutlin-3", "target_label": "teniposide", "cosine_similarity": 0.6183460354804993 } }, { "source": "CID:176158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "SB-216763-PKCbeta-inhibitor similarity", "source_label": "SB-216763", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.6107431650161743 } }, { "source": "CID:5282226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "travoprost-granisetron similarity", "source_label": "travoprost", "target_label": "granisetron", "cosine_similarity": 0.5015190839767456 } }, { "source": "CID:10302451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "saracatinib-salmeterol similarity", "source_label": "saracatinib", "target_label": "salmeterol", "cosine_similarity": 0.5064770579338074 } }, { "source": "CID:71277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "erythromycin-estolate-tetrandrine similarity", "source_label": "erythromycin-estolate", "target_label": "tetrandrine", "cosine_similarity": 0.5082041621208191 } }, { "source": "CID:3730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "iohexol-Gossypetin similarity", "source_label": "iohexol", "target_label": "Gossypetin", "cosine_similarity": 0.1950845569372177 } }, { "source": "CID:73707617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71015", "properties": { "id": "glutamyldopamine-n-methylphenothiazine similarity", "source_label": "glutamyldopamine", "target_label": "n-methylphenothiazine", "cosine_similarity": 0.2267341315746307 } }, { "source": "CID:44483325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "austricine-fumonisin-b1 similarity", "source_label": "austricine", "target_label": "fumonisin-b1", "cosine_similarity": 0.3039002418518066 } }, { "source": "CID:6215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "fluocinolone-fluocinolone-acetonide similarity", "source_label": "fluocinolone", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.3155776560306549 } }, { "source": "CID:44507307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-247654-SA-1462678 similarity", "source_label": "SA-247654", "target_label": "SA-1462678", "cosine_similarity": 0.3422008156776428 } }, { "source": "CID:60160561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "EPZ-005687-CAY-10594 similarity", "source_label": "EPZ-005687", "target_label": "CAY-10594", "cosine_similarity": 0.2310962229967117 } }, { "source": "CID:24857286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "TAK-875-flavoxate similarity", "source_label": "TAK-875", "target_label": "flavoxate", "cosine_similarity": 0.3471188843250274 } }, { "source": "CID:34633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "moracizine-camostat-mesilate similarity", "source_label": "moracizine", "target_label": "camostat-mesilate", "cosine_similarity": 0.3691149055957794 } }, { "source": "CID:22152353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "ORG-9768-ketorolac similarity", "source_label": "ORG-9768", "target_label": "ketorolac", "cosine_similarity": 0.4594859778881073 } }, { "source": "CID:7699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43345", "properties": { "id": "benzonatate-P-1075 similarity", "source_label": "benzonatate", "target_label": "P-1075", "cosine_similarity": 0.2508377432823181 } }, { "source": "CID:5013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "N-methylquipazine-rhapontin similarity", "source_label": "N-methylquipazine", "target_label": "rhapontin", "cosine_similarity": 0.2998591661453247 } }, { "source": "CID:4641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "oxyphenbutazone-MD-049 similarity", "source_label": "oxyphenbutazone", "target_label": "MD-049", "cosine_similarity": 0.5238069295883179 } }, { "source": "CID:11771279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92409", "properties": { "id": "MRS-3777-SKF-89976A similarity", "source_label": "MRS-3777", "target_label": "SKF-89976A", "cosine_similarity": 0.181158497929573 } }, { "source": "CID:4761", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "pheniramine-Gossypetin similarity", "source_label": "pheniramine", "target_label": "Gossypetin", "cosine_similarity": 0.2537322640419006 } }, { "source": "CID:119373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "elacridar-DL-PDMP similarity", "source_label": "elacridar", "target_label": "DL-PDMP", "cosine_similarity": 0.3244007527828216 } }, { "source": "CID:12124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "metacetamol-chloroxylenol similarity", "source_label": "metacetamol", "target_label": "chloroxylenol", "cosine_similarity": 0.6619725227355957 } }, { "source": "CID:2392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65457", "properties": { "id": "pibenzimol-bropirimine similarity", "source_label": "pibenzimol", "target_label": "bropirimine", "cosine_similarity": 0.3588119149208069 } }, { "source": "CID:4930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "pronetalol-cefprozil similarity", "source_label": "pronetalol", "target_label": "cefprozil", "cosine_similarity": 0.3275138437747955 } }, { "source": "CID:60164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "adapalene-cholic-acid similarity", "source_label": "adapalene", "target_label": "cholic-acid", "cosine_similarity": 0.3948789536952972 } }, { "source": "CID:4485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "nifedipine-AG-14361 similarity", "source_label": "nifedipine", "target_label": "AG-14361", "cosine_similarity": 0.5240991711616516 } }, { "source": "CID:5353593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284329", "properties": { "id": "DMBI-purmorphamine similarity", "source_label": "DMBI", "target_label": "purmorphamine", "cosine_similarity": 0.2760785222053528 } }, { "source": "CID:73707504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4421", "properties": { "id": "etiocholanolone-nalidixic-acid similarity", "source_label": "etiocholanolone", "target_label": "nalidixic-acid", "cosine_similarity": 0.1993549168109893 } }, { "source": "CID:11561383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "nesbuvir-cyclizine similarity", "source_label": "nesbuvir", "target_label": "cyclizine", "cosine_similarity": 0.5069957375526428 } }, { "source": "CID:175805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "ropivacaine-SA-1937536 similarity", "source_label": "ropivacaine", "target_label": "SA-1937536", "cosine_similarity": 0.1986502856016159 } }, { "source": "CID:10767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "amyleine-XAV-939 similarity", "source_label": "amyleine", "target_label": "XAV-939", "cosine_similarity": 0.346903920173645 } }, { "source": "CID:54676038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44208964", "properties": { "id": "dicoumarol-SDZ-NKT-343 similarity", "source_label": "dicoumarol", "target_label": "SDZ-NKT-343", "cosine_similarity": 0.2801551818847656 } }, { "source": "CID:24978538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "navitoclax-T-5345967 similarity", "source_label": "navitoclax", "target_label": "T-5345967", "cosine_similarity": 0.5374995470046997 } }, { "source": "CID:23891514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "I-606061-EMF-bca1-16 similarity", "source_label": "I-606061", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7067269682884216 } }, { "source": "CID:126769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "SB-200646-risperidone similarity", "source_label": "SB-200646", "target_label": "risperidone", "cosine_similarity": 0.2630153596401214 } }, { "source": "CID:3518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "guanethidine-labetalol similarity", "source_label": "guanethidine", "target_label": "labetalol", "cosine_similarity": 0.277241051197052 } }, { "source": "CID:92409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "SKF-89976A-CGS-21680 similarity", "source_label": "SKF-89976A", "target_label": "CGS-21680", "cosine_similarity": 0.3310972452163696 } }, { "source": "CID:237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:435678", "properties": { "id": "mepacrine-HLI-373 similarity", "source_label": "mepacrine", "target_label": "HLI-373", "cosine_similarity": 0.5611971616744995 } }, { "source": "CID:44247543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3290", "properties": { "id": "VU-0402605-profenamine similarity", "source_label": "VU-0402605", "target_label": "profenamine", "cosine_similarity": 0.2118597328662872 } }, { "source": "CID:3306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5273569", "properties": { "id": "etilefrine-fraxetin similarity", "source_label": "etilefrine", "target_label": "fraxetin", "cosine_similarity": 0.2865634560585022 } }, { "source": "CID:5533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "trazodone-CO-102862 similarity", "source_label": "trazodone", "target_label": "CO-102862", "cosine_similarity": 0.4337711930274963 } }, { "source": "CID:5281643", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666592", "properties": { "id": "hyperoside-SA-1920683 similarity", "source_label": "hyperoside", "target_label": "SA-1920683", "cosine_similarity": 0.1794852167367935 } }, { "source": "CID:49843106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1258678", "properties": { "id": "ARG-CSC-26-ST-014075 similarity", "source_label": "ARG-CSC-26", "target_label": "ST-014075", "cosine_similarity": 0.2981238067150116 } }, { "source": "CID:755673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "MW-STK33-4C-topiramate similarity", "source_label": "MW-STK33-4C", "target_label": "topiramate", "cosine_similarity": 0.3711353540420532 } }, { "source": "CID:6603897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "L-750667-cefoperazone similarity", "source_label": "L-750667", "target_label": "cefoperazone", "cosine_similarity": 0.204268217086792 } }, { "source": "CID:1505783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "STK-661558-KU-C104493 similarity", "source_label": "STK-661558", "target_label": "KU-C104493", "cosine_similarity": 0.3421687185764313 } }, { "source": "CID:2247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "astemizole-terfenadine similarity", "source_label": "astemizole", "target_label": "terfenadine", "cosine_similarity": 0.3478762507438659 } }, { "source": "CID:44507332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507247", "properties": { "id": "SA-247714-SA-1017940 similarity", "source_label": "SA-247714", "target_label": "SA-1017940", "cosine_similarity": 0.5551571249961853 } }, { "source": "CID:5318562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248571", "properties": { "id": "isoeugenol-SB-258585 similarity", "source_label": "isoeugenol", "target_label": "SB-258585", "cosine_similarity": 0.2234612107276916 } }, { "source": "CID:5353454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "BW-B70C-atorvastatin similarity", "source_label": "BW-B70C", "target_label": "atorvastatin", "cosine_similarity": 0.2497628033161163 } }, { "source": "CID:5282493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "clocortolone-pivalate-fluocinolone-acetonide similarity", "source_label": "clocortolone-pivalate", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.591240644454956 } }, { "source": "CID:6710752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "iriflophenone-pepstatin similarity", "source_label": "iriflophenone", "target_label": "pepstatin", "cosine_similarity": 0.4037117958068847 } }, { "source": "CID:5491955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "cefozopran-dienestrol similarity", "source_label": "cefozopran", "target_label": "dienestrol", "cosine_similarity": 0.2709327340126037 } }, { "source": "CID:10410894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11210285", "properties": { "id": "LE-135-BML-284 similarity", "source_label": "LE-135", "target_label": "BML-284", "cosine_similarity": 0.418571263551712 } }, { "source": "CID:134117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148198", "properties": { "id": "BP-554-GMX-1778 similarity", "source_label": "BP-554", "target_label": "GMX-1778", "cosine_similarity": 0.3160073757171631 } }, { "source": "CID:16667705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "exemestane-resatorvid similarity", "source_label": "exemestane", "target_label": "resatorvid", "cosine_similarity": 0.4923191964626312 } }, { "source": "CID:64971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "betulinic-acid-estrone similarity", "source_label": "betulinic-acid", "target_label": "estrone", "cosine_similarity": 0.3554272055625915 } }, { "source": "CID:448281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "ORE-1001-swainsonine similarity", "source_label": "ORE-1001", "target_label": "swainsonine", "cosine_similarity": 0.2692370116710663 } }, { "source": "CID:441029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "fosfomycin-VX-222 similarity", "source_label": "fosfomycin", "target_label": "VX-222", "cosine_similarity": 0.3460427820682525 } }, { "source": "CID:4493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707546", "properties": { "id": "nilutamide-garcinol similarity", "source_label": "nilutamide", "target_label": "garcinol", "cosine_similarity": 0.2323391288518905 } }, { "source": "CID:54658832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1459256-SA-101686 similarity", "source_label": "SA-1459256", "target_label": "SA-101686", "cosine_similarity": 0.3349132537841797 } }, { "source": "CID:2815801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "HTS-11203SC-ARG-CSC-81 similarity", "source_label": "HTS-11203SC", "target_label": "ARG-CSC-81", "cosine_similarity": 0.3589990139007568 } }, { "source": "CID:6708742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918305", "properties": { "id": "inosine-ganaxolone similarity", "source_label": "inosine", "target_label": "ganaxolone", "cosine_similarity": 0.3925377130508423 } }, { "source": "CID:260972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "EMF-sumo1-8-gossypin similarity", "source_label": "EMF-sumo1-8", "target_label": "gossypin", "cosine_similarity": 0.3596754372119903 } }, { "source": "CID:170344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "etifenin-darinaparsin similarity", "source_label": "etifenin", "target_label": "darinaparsin", "cosine_similarity": 0.2882113754749298 } }, { "source": "CID:9811834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "sacubitril-AICA-ribonucleotide similarity", "source_label": "sacubitril", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3700451850891113 } }, { "source": "CID:58258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51695577", "properties": { "id": "rufloxacin-melengestrol similarity", "source_label": "rufloxacin", "target_label": "melengestrol", "cosine_similarity": 0.2101494967937469 } }, { "source": "CID:10288191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "MEK-162-cobimetinib similarity", "source_label": "MEK-162", "target_label": "cobimetinib", "cosine_similarity": 0.7256660461425781 } }, { "source": "CID:449459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "tamoxifen-clomipramine similarity", "source_label": "tamoxifen", "target_label": "clomipramine", "cosine_similarity": 0.6579960584640503 } }, { "source": "CID:135925261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "rifampicin-XAV-939 similarity", "source_label": "rifampicin", "target_label": "XAV-939", "cosine_similarity": 0.2550757527351379 } }, { "source": "CID:5742832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "aztreonam-iodoquinol similarity", "source_label": "aztreonam", "target_label": "iodoquinol", "cosine_similarity": 0.2904096841812134 } }, { "source": "CID:73707410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "ebelactone-b-chelidonine similarity", "source_label": "ebelactone-b", "target_label": "chelidonine", "cosine_similarity": 0.3110745549201965 } }, { "source": "CID:35802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "flubendazole-mebendazole similarity", "source_label": "flubendazole", "target_label": "mebendazole", "cosine_similarity": 0.5536143779754639 } }, { "source": "CID:9828911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "anamorelin-epirizole similarity", "source_label": "anamorelin", "target_label": "epirizole", "cosine_similarity": 0.3125202059745788 } }, { "source": "CID:41214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "meglitinide-apocynin similarity", "source_label": "meglitinide", "target_label": "apocynin", "cosine_similarity": 0.512427568435669 } }, { "source": "CID:54657736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507247", "properties": { "id": "SA-1460224-SA-1017940 similarity", "source_label": "SA-1460224", "target_label": "SA-1017940", "cosine_similarity": 0.2326770275831222 } }, { "source": "CID:5311510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "GNF-2-GW-5074 similarity", "source_label": "GNF-2", "target_label": "GW-5074", "cosine_similarity": 0.4540075957775116 } }, { "source": "CID:44595079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66558664", "properties": { "id": "PRT-062070-E-7438 similarity", "source_label": "PRT-062070", "target_label": "E-7438", "cosine_similarity": 0.4342691302299499 } }, { "source": "CID:73707600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56208", "properties": { "id": "APEC-sarafloxacin similarity", "source_label": "APEC", "target_label": "sarafloxacin", "cosine_similarity": 0.2403732538223266 } }, { "source": "CID:3105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "dipivefrine-hydrocortisone-acetate similarity", "source_label": "dipivefrine", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.290463924407959 } }, { "source": "CID:4260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "moxisylyte-roflumilast similarity", "source_label": "moxisylyte", "target_label": "roflumilast", "cosine_similarity": 0.3767083585262298 } }, { "source": "CID:7020214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5221450", "properties": { "id": "Val-Val-Val-BML-286 similarity", "source_label": "Val-Val-Val", "target_label": "BML-286", "cosine_similarity": 0.2937774062156677 } }, { "source": "CID:149784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "EHNA-evodiamine similarity", "source_label": "EHNA", "target_label": "evodiamine", "cosine_similarity": 0.2674813270568847 } }, { "source": "CID:6575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3950", "properties": { "id": "trichloroethylene-lomustine similarity", "source_label": "trichloroethylene", "target_label": "lomustine", "cosine_similarity": 0.2870398163795471 } }, { "source": "CID:16129704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7028", "properties": { "id": "bivalirudin-pseudoephedrine similarity", "source_label": "bivalirudin", "target_label": "pseudoephedrine", "cosine_similarity": 0.2037844210863113 } }, { "source": "CID:99253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "SAL-1-UB-165 similarity", "source_label": "SAL-1", "target_label": "UB-165", "cosine_similarity": 0.4246540069580078 } }, { "source": "CID:227112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281708", "properties": { "id": "reichstein-daidzein similarity", "source_label": "reichstein", "target_label": "daidzein", "cosine_similarity": 0.2012006491422653 } }, { "source": "CID:5280647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "Gossypetin-myricetin similarity", "source_label": "Gossypetin", "target_label": "myricetin", "cosine_similarity": 0.5271982550621033 } }, { "source": "CID:135398510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "dovitinib-RAF-265 similarity", "source_label": "dovitinib", "target_label": "RAF-265", "cosine_similarity": 0.5430379509925842 } }, { "source": "CID:11201035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3568", "properties": { "id": "PHTPP-EI-273 similarity", "source_label": "PHTPP", "target_label": "EI-273", "cosine_similarity": 0.282100111246109 } }, { "source": "CID:23919058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:658169", "properties": { "id": "tyrphostin-B44-ST-4028268 similarity", "source_label": "tyrphostin-B44", "target_label": "ST-4028268", "cosine_similarity": 0.2665236890316009 } }, { "source": "CID:9872740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "L-692585-tolazamide similarity", "source_label": "L-692585", "target_label": "tolazamide", "cosine_similarity": 0.3130353987216949 } }, { "source": "CID:11360391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "A-769662-anecortave-acetate similarity", "source_label": "A-769662", "target_label": "anecortave-acetate", "cosine_similarity": 0.347813218832016 } }, { "source": "CID:23930397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "heliotrine-dipyrocetyl similarity", "source_label": "heliotrine", "target_label": "dipyrocetyl", "cosine_similarity": 0.2284515351057052 } }, { "source": "CID:9429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "thioproperazine-gabexate similarity", "source_label": "thioproperazine", "target_label": "gabexate", "cosine_similarity": 0.2413219809532165 } }, { "source": "CID:2973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "deferoxamine-mesylate-amidopyrine similarity", "source_label": "deferoxamine-mesylate", "target_label": "amidopyrine", "cosine_similarity": 0.7495033740997314 } }, { "source": "CID:73364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "calpeptin-PIK-90 similarity", "source_label": "calpeptin", "target_label": "PIK-90", "cosine_similarity": 0.4763384461402893 } }, { "source": "CID:5280483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "phylloquinone-zebularine similarity", "source_label": "phylloquinone", "target_label": "zebularine", "cosine_similarity": 0.2423551976680755 } }, { "source": "CID:135925692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "propylpyrazole-gossypin similarity", "source_label": "propylpyrazole", "target_label": "gossypin", "cosine_similarity": 0.2367975860834121 } }, { "source": "CID:100018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483325", "properties": { "id": "ginsenoside-austricine similarity", "source_label": "ginsenoside", "target_label": "austricine", "cosine_similarity": 0.2635088264942169 } }, { "source": "CID:4680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59174488", "properties": { "id": "papaverine-AVL-292 similarity", "source_label": "papaverine", "target_label": "AVL-292", "cosine_similarity": 0.343777060508728 } }, { "source": "CID:11822705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "BCL2-inhibitor-NSC-632839 similarity", "source_label": "BCL2-inhibitor", "target_label": "NSC-632839", "cosine_similarity": 0.5423955321311951 } }, { "source": "CID:6093179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "estropipate-phenothiazine similarity", "source_label": "estropipate", "target_label": "phenothiazine", "cosine_similarity": 0.3406523168087005 } }, { "source": "CID:44484569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6839", "properties": { "id": "SA-423167-phensuximide similarity", "source_label": "SA-423167", "target_label": "phensuximide", "cosine_similarity": 0.2021493911743164 } }, { "source": "CID:44721090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14182642", "properties": { "id": "methoxypyruvic-acid-propanoic-acid similarity", "source_label": "methoxypyruvic-acid", "target_label": "propanoic-acid", "cosine_similarity": 0.2124431580305099 } }, { "source": "CID:2345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5161", "properties": { "id": "benzyl-benzoate-sasapyrine similarity", "source_label": "benzyl-benzoate", "target_label": "sasapyrine", "cosine_similarity": 0.1854603290557861 } }, { "source": "CID:2803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108137", "properties": { "id": "clonidine-SCH-28080 similarity", "source_label": "clonidine", "target_label": "SCH-28080", "cosine_similarity": 0.3703900873661041 } }, { "source": "CID:657309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "ipratropium-lorcaserin similarity", "source_label": "ipratropium", "target_label": "lorcaserin", "cosine_similarity": 0.4419334828853607 } }, { "source": "CID:54686939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "dihydrorobustic-acid-Gossypetin similarity", "source_label": "dihydrorobustic-acid", "target_label": "Gossypetin", "cosine_similarity": 0.2879580855369568 } }, { "source": "CID:46869951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "VU-0400193-3-phenoxazine similarity", "source_label": "VU-0400193-3", "target_label": "phenoxazine", "cosine_similarity": 0.2879242897033691 } }, { "source": "CID:35026803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "CAY-10470-SA-1973507 similarity", "source_label": "CAY-10470", "target_label": "SA-1973507", "cosine_similarity": 0.5330153107643127 } }, { "source": "CID:632854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "ST-012030-UB-165 similarity", "source_label": "ST-012030", "target_label": "UB-165", "cosine_similarity": 0.3250613510608673 } }, { "source": "CID:2888950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3162043", "properties": { "id": "MW-A1-6-MW-STK33-1B similarity", "source_label": "MW-A1-6", "target_label": "MW-STK33-1B", "cosine_similarity": 0.2072543650865554 } }, { "source": "CID:23846564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323", "properties": { "id": "butirosin-sulfadimethoxine similarity", "source_label": "butirosin", "target_label": "sulfadimethoxine", "cosine_similarity": 0.2250476479530334 } }, { "source": "CID:46883536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "avagacestat-diazoxide similarity", "source_label": "avagacestat", "target_label": "diazoxide", "cosine_similarity": 0.3341318964958191 } }, { "source": "CID:10429242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "CAY-10415-myriocin similarity", "source_label": "CAY-10415", "target_label": "myriocin", "cosine_similarity": 0.2920852899551391 } }, { "source": "CID:3463933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:414684", "properties": { "id": "FH-535-ephedrine similarity", "source_label": "FH-535", "target_label": "ephedrine", "cosine_similarity": 0.1840045303106308 } }, { "source": "CID:9889366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "mibampator-cilomilast similarity", "source_label": "mibampator", "target_label": "cilomilast", "cosine_similarity": 0.3616888225078583 } }, { "source": "CID:667601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "tyrphostin-47-meclofenamic-acid similarity", "source_label": "tyrphostin-47", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3022406697273254 } }, { "source": "CID:44620657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-424233-SA-84905 similarity", "source_label": "SA-424233", "target_label": "SA-84905", "cosine_similarity": 0.2747198641300201 } }, { "source": "CID:65889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "apafant-acifran similarity", "source_label": "apafant", "target_label": "acifran", "cosine_similarity": 0.5262219309806824 } }, { "source": "CID:54596134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245449", "properties": { "id": "TUL_XXI035-TUL_XIX002 similarity", "source_label": "TUL_XXI035", "target_label": "TUL_XIX002", "cosine_similarity": 0.7304354906082153 } }, { "source": "CID:24748204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "MK-5108-D-64131 similarity", "source_label": "MK-5108", "target_label": "D-64131", "cosine_similarity": 0.4858633875846863 } }, { "source": "CID:5482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "tioconazole-bicalutamide similarity", "source_label": "tioconazole", "target_label": "bicalutamide", "cosine_similarity": 0.330782413482666 } }, { "source": "CID:60187003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-1937536-SA-441487 similarity", "source_label": "SA-1937536", "target_label": "SA-441487", "cosine_similarity": 0.3220017850399017 } }, { "source": "CID:24753719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "PCI-34051-nevirapine similarity", "source_label": "PCI-34051", "target_label": "nevirapine", "cosine_similarity": 0.2391761243343353 } }, { "source": "CID:44483817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "SA-102096-Gossypetin similarity", "source_label": "SA-102096", "target_label": "Gossypetin", "cosine_similarity": 0.3231144547462463 } }, { "source": "CID:2796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "clofibrate-flavoxate similarity", "source_label": "clofibrate", "target_label": "flavoxate", "cosine_similarity": 0.33576500415802 } }, { "source": "CID:123831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60751", "properties": { "id": "asymmetrical-dimethylarginine-temoporfin similarity", "source_label": "asymmetrical-dimethylarginine", "target_label": "temoporfin", "cosine_similarity": 0.4069191813468933 } }, { "source": "CID:20279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "cladribine-floxuridine similarity", "source_label": "cladribine", "target_label": "floxuridine", "cosine_similarity": 0.7203918695449829 } }, { "source": "CID:4533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8616", "properties": { "id": "nor-binaltorphimine-peucedanin similarity", "source_label": "nor-binaltorphimine", "target_label": "peucedanin", "cosine_similarity": 0.213061437010765 } }, { "source": "CID:4261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19582717", "properties": { "id": "entinostat-CHEMBL-1222381 similarity", "source_label": "entinostat", "target_label": "CHEMBL-1222381", "cosine_similarity": 0.5683656334877014 } }, { "source": "CID:22121918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "TUL_XX087-TUL-XXI039 similarity", "source_label": "TUL_XX087", "target_label": "TUL-XXI039", "cosine_similarity": 0.7714473009109497 } }, { "source": "CID:5531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40854", "properties": { "id": "trapidil-oxfendazole similarity", "source_label": "trapidil", "target_label": "oxfendazole", "cosine_similarity": 0.2791738510131836 } }, { "source": "CID:5145950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "RS-39604-terfenadine similarity", "source_label": "RS-39604", "target_label": "terfenadine", "cosine_similarity": 0.5307669639587402 } }, { "source": "CID:992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "pentachlorophenol-tyrphostin-A9 similarity", "source_label": "pentachlorophenol", "target_label": "tyrphostin-A9", "cosine_similarity": 0.2793280184268951 } }, { "source": "CID:3795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4707", "properties": { "id": "WHI-P154-PD-158780 similarity", "source_label": "WHI-P154", "target_label": "PD-158780", "cosine_similarity": 0.5008956789970398 } }, { "source": "CID:4928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "prometon-ifosfamide similarity", "source_label": "prometon", "target_label": "ifosfamide", "cosine_similarity": 0.2693153321743011 } }, { "source": "CID:71693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6399253", "properties": { "id": "fomocaine-cefdinir similarity", "source_label": "fomocaine", "target_label": "cefdinir", "cosine_similarity": 0.3453725576400757 } }, { "source": "CID:327653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "pifithrin-mu-7b-cis similarity", "source_label": "pifithrin-mu", "target_label": "7b-cis", "cosine_similarity": 0.7948002815246582 } }, { "source": "CID:5961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "glutamine-MW-STK33-100 similarity", "source_label": "glutamine", "target_label": "MW-STK33-100", "cosine_similarity": 0.3687786757946014 } }, { "source": "CID:44494424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-103021-FTI-276 similarity", "source_label": "SA-103021", "target_label": "FTI-276", "cosine_similarity": 0.3190906941890716 } }, { "source": "CID:5284627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "topiramate-hypericin similarity", "source_label": "topiramate", "target_label": "hypericin", "cosine_similarity": 0.5079296827316284 } }, { "source": "CID:5732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "zolpidem-temozolomide similarity", "source_label": "zolpidem", "target_label": "temozolomide", "cosine_similarity": 0.5439832806587219 } }, { "source": "CID:176408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "SCH-58261-lasalocid similarity", "source_label": "SCH-58261", "target_label": "lasalocid", "cosine_similarity": 0.4088913202285766 } }, { "source": "CID:3689416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "K784-3188-CVF-SUMO-11 similarity", "source_label": "K784-3188", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.7415145635604858 } }, { "source": "CID:3354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "flavoxate-felodipine similarity", "source_label": "flavoxate", "target_label": "felodipine", "cosine_similarity": 0.4327998161315918 } }, { "source": "CID:262093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "NSC-95397-manumycin-a similarity", "source_label": "NSC-95397", "target_label": "manumycin-a", "cosine_similarity": 0.7031332850456238 } }, { "source": "CID:4029677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "CP-94253-clopidogrel similarity", "source_label": "CP-94253", "target_label": "clopidogrel", "cosine_similarity": 0.2730267345905304 } }, { "source": "CID:11646823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "CTEP-sirolimus similarity", "source_label": "CTEP", "target_label": "sirolimus", "cosine_similarity": 0.2271202206611633 } }, { "source": "CID:2819320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "KM-01366-amisulpride similarity", "source_label": "KM-01366", "target_label": "amisulpride", "cosine_similarity": 0.2521200776100158 } }, { "source": "CID:10831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "diperodon-pipenzolate similarity", "source_label": "diperodon", "target_label": "pipenzolate", "cosine_similarity": 0.3245696723461151 } }, { "source": "CID:6256", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "trifluridine-floxuridine similarity", "source_label": "trifluridine", "target_label": "floxuridine", "cosine_similarity": 0.5753890872001648 } }, { "source": "CID:4011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "maprotiline-loperamide similarity", "source_label": "maprotiline", "target_label": "loperamide", "cosine_similarity": 0.4067394733428955 } }, { "source": "CID:5284329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11640390", "properties": { "id": "purmorphamine-linsitinib similarity", "source_label": "purmorphamine", "target_label": "linsitinib", "cosine_similarity": 0.3622447550296783 } }, { "source": "CID:5505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449381", "properties": { "id": "tolbutamide-oseltamivir-carboxylate similarity", "source_label": "tolbutamide", "target_label": "oseltamivir-carboxylate", "cosine_similarity": 0.3327460289001465 } }, { "source": "CID:54666571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25134326", "properties": { "id": "SA-1921867-ASP-3026 similarity", "source_label": "SA-1921867", "target_label": "ASP-3026", "cosine_similarity": 0.2943855226039886 } }, { "source": "CID:9889366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "mibampator-diphenylpyraline similarity", "source_label": "mibampator", "target_label": "diphenylpyraline", "cosine_similarity": 0.3542709350585937 } }, { "source": "CID:7638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "monobenzone-NNC-55-0396 similarity", "source_label": "monobenzone", "target_label": "NNC-55-0396", "cosine_similarity": 0.3234896063804626 } }, { "source": "CID:56846693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41693", "properties": { "id": "CEP-32496-sufentanil similarity", "source_label": "CEP-32496", "target_label": "sufentanil", "cosine_similarity": 0.3970241546630859 } }, { "source": "CID:10410894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "LE-135-niclosamide similarity", "source_label": "LE-135", "target_label": "niclosamide", "cosine_similarity": 0.4283638000488281 } }, { "source": "CID:1204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4105", "properties": { "id": "epibatidine-met-leu-phe similarity", "source_label": "epibatidine", "target_label": "met-leu-phe", "cosine_similarity": 0.2994199097156524 } }, { "source": "CID:9863672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "ripasudil-tiapride similarity", "source_label": "ripasudil", "target_label": "tiapride", "cosine_similarity": 0.4059756100177765 } }, { "source": "CID:65981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "repaglinide-lorcaserin similarity", "source_label": "repaglinide", "target_label": "lorcaserin", "cosine_similarity": 0.4298282563686371 } }, { "source": "CID:9952884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "voreloxin-lorcaserin similarity", "source_label": "voreloxin", "target_label": "lorcaserin", "cosine_similarity": 0.4074342846870422 } }, { "source": "CID:872445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "oncrasin-1-sorafenib similarity", "source_label": "oncrasin-1", "target_label": "sorafenib", "cosine_similarity": 0.5720019340515137 } }, { "source": "CID:3280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "ethaverine-nilvadipine similarity", "source_label": "ethaverine", "target_label": "nilvadipine", "cosine_similarity": 0.2786250710487366 } }, { "source": "CID:3473417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "VU-0447126-2-gossypin similarity", "source_label": "VU-0447126-2", "target_label": "gossypin", "cosine_similarity": 0.2693142890930176 } }, { "source": "CID:71414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "diflorasone-methylprednisolone similarity", "source_label": "diflorasone", "target_label": "methylprednisolone", "cosine_similarity": 0.377452939748764 } }, { "source": "CID:2764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "ciprofloxacin-SB-239063 similarity", "source_label": "ciprofloxacin", "target_label": "SB-239063", "cosine_similarity": 0.3096238374710083 } }, { "source": "CID:3724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4065", "properties": { "id": "iodixanol-meprylcaine similarity", "source_label": "iodixanol", "target_label": "meprylcaine", "cosine_similarity": 0.2582689225673675 } }, { "source": "CID:6708684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "scopoline-APO-866 similarity", "source_label": "scopoline", "target_label": "APO-866", "cosine_similarity": 0.2857266366481781 } }, { "source": "CID:60854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:161591", "properties": { "id": "ziprasidone-chaetocin similarity", "source_label": "ziprasidone", "target_label": "chaetocin", "cosine_similarity": 0.411746472120285 } }, { "source": "CID:39836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "L-NAME-flecainide similarity", "source_label": "L-NAME", "target_label": "flecainide", "cosine_similarity": 0.3608486354351043 } }, { "source": "CID:4350931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "LE-300-SA-1455822 similarity", "source_label": "LE-300", "target_label": "SA-1455822", "cosine_similarity": 0.2206913977861404 } }, { "source": "CID:40632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "pirfenidone-NF-449 similarity", "source_label": "pirfenidone", "target_label": "NF-449", "cosine_similarity": 0.4862379729747772 } }, { "source": "CID:9571107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "gemifloxacin-pravastatin similarity", "source_label": "gemifloxacin", "target_label": "pravastatin", "cosine_similarity": 0.4045486748218536 } }, { "source": "CID:761523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "m-3M3FBS-PT-630 similarity", "source_label": "m-3M3FBS", "target_label": "PT-630", "cosine_similarity": 0.3140434622764587 } }, { "source": "CID:24747176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "PSH-021-PSH-003 similarity", "source_label": "PSH-021", "target_label": "PSH-003", "cosine_similarity": 0.2939938008785248 } }, { "source": "CID:2482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10168", "properties": { "id": "butamben-rhein similarity", "source_label": "butamben", "target_label": "rhein", "cosine_similarity": 0.3384885787963867 } }, { "source": "CID:46215815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "GSK-2334470-NVP-BEZ235 similarity", "source_label": "GSK-2334470", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6541169285774231 } }, { "source": "CID:9850876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60164", "properties": { "id": "SR-33805-adapalene similarity", "source_label": "SR-33805", "target_label": "adapalene", "cosine_similarity": 0.4290278851985931 } }, { "source": "CID:44577753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "ML-347-tazobactam similarity", "source_label": "ML-347", "target_label": "tazobactam", "cosine_similarity": 0.2443350255489349 } }, { "source": "CID:46848036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "flumatinib-CAY-10594 similarity", "source_label": "flumatinib", "target_label": "CAY-10594", "cosine_similarity": 0.4031969606876373 } }, { "source": "CID:1560402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "SMER-28-ZM-336372 similarity", "source_label": "SMER-28", "target_label": "ZM-336372", "cosine_similarity": 0.3555494248867035 } }, { "source": "CID:73707354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "eserine-TUL_XIX003 similarity", "source_label": "eserine", "target_label": "TUL_XIX003", "cosine_similarity": 0.2040977478027343 } }, { "source": "CID:5281707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "coumestrol-guanabenz similarity", "source_label": "coumestrol", "target_label": "guanabenz", "cosine_similarity": 0.3165720403194427 } }, { "source": "CID:5478883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "pepstatin-tetrahydrouridine similarity", "source_label": "pepstatin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6119469404220581 } }, { "source": "CID:3032818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5011", "properties": { "id": "naproxol-quipazine similarity", "source_label": "naproxol", "target_label": "quipazine", "cosine_similarity": 0.2553749084472656 } }, { "source": "CID:31772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "nifurtimox-ST-022313 similarity", "source_label": "nifurtimox", "target_label": "ST-022313", "cosine_similarity": 0.2716967761516571 } }, { "source": "CID:91930061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "bruceantin-cephaeline similarity", "source_label": "bruceantin", "target_label": "cephaeline", "cosine_similarity": 0.8251636624336243 } }, { "source": "CID:6572379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "PSH-013-PSH-010 similarity", "source_label": "PSH-013", "target_label": "PSH-010", "cosine_similarity": 0.3206190764904022 } }, { "source": "CID:44828478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13013971", "properties": { "id": "KUC104547N-depomedrol similarity", "source_label": "KUC104547N", "target_label": "depomedrol", "cosine_similarity": 0.2105515301227569 } }, { "source": "CID:3455588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "ST-4075437-dubinidine similarity", "source_label": "ST-4075437", "target_label": "dubinidine", "cosine_similarity": 0.2873430848121643 } }, { "source": "CID:4057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "mepenzolate-salicyl-alcohol similarity", "source_label": "mepenzolate", "target_label": "salicyl-alcohol", "cosine_similarity": 0.2878360450267792 } }, { "source": "CID:4608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6560153", "properties": { "id": "micropenin-penicillin similarity", "source_label": "micropenin", "target_label": "penicillin", "cosine_similarity": 0.2599588632583618 } }, { "source": "CID:6437068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14182642", "properties": { "id": "enevalproate-propanoic-acid similarity", "source_label": "enevalproate", "target_label": "propanoic-acid", "cosine_similarity": 0.3140396773815155 } }, { "source": "CID:3009355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "vicriviroc-ripasudil similarity", "source_label": "vicriviroc", "target_label": "ripasudil", "cosine_similarity": 0.2667231559753418 } }, { "source": "CID:44564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "lodoxamide-lorcaserin similarity", "source_label": "lodoxamide", "target_label": "lorcaserin", "cosine_similarity": 0.5236791372299194 } }, { "source": "CID:9885087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21100", "properties": { "id": "TAS-301-metanephrine similarity", "source_label": "TAS-301", "target_label": "metanephrine", "cosine_similarity": 0.2326056659221649 } }, { "source": "CID:4768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "phenoxybenzamine-CVF-SUMO-7 similarity", "source_label": "phenoxybenzamine", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.241611361503601 } }, { "source": "CID:3002119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "fursultiamine-FTI-276 similarity", "source_label": "fursultiamine", "target_label": "FTI-276", "cosine_similarity": 0.2988595068454742 } }, { "source": "CID:5713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "YO-2-UNC-0638 similarity", "source_label": "YO-2", "target_label": "UNC-0638", "cosine_similarity": 0.216847538948059 } }, { "source": "CID:702558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "RG-108-NSC-23766 similarity", "source_label": "RG-108", "target_label": "NSC-23766", "cosine_similarity": 0.3993038237094879 } }, { "source": "CID:3290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "profenamine-sertraline similarity", "source_label": "profenamine", "target_label": "sertraline", "cosine_similarity": 0.3829886615276336 } }, { "source": "CID:3334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "fenbendazole-paclitaxel similarity", "source_label": "fenbendazole", "target_label": "paclitaxel", "cosine_similarity": 0.6253255009651184 } }, { "source": "CID:2905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "cyclopentolate-SA-1463838 similarity", "source_label": "cyclopentolate", "target_label": "SA-1463838", "cosine_similarity": 0.2520804405212402 } }, { "source": "CID:171548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135511839", "properties": { "id": "biotin-carbadox similarity", "source_label": "biotin", "target_label": "carbadox", "cosine_similarity": 0.2914787530899048 } }, { "source": "CID:29327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "streptozotocin-TAK-715 similarity", "source_label": "streptozotocin", "target_label": "TAK-715", "cosine_similarity": 0.3471602499485016 } }, { "source": "CID:44607592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "KU-C104140-hydrocortisone-acetate similarity", "source_label": "KU-C104140", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3866681754589081 } }, { "source": "CID:2161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "amlexanox-ABT-202 similarity", "source_label": "amlexanox", "target_label": "ABT-202", "cosine_similarity": 0.4431996941566467 } }, { "source": "CID:46931242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "UNC-669-PF-04217903 similarity", "source_label": "UNC-669", "target_label": "PF-04217903", "cosine_similarity": 0.3610956072807312 } }, { "source": "CID:3600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66265", "properties": { "id": "miltefosine-dexfenfluramine similarity", "source_label": "miltefosine", "target_label": "dexfenfluramine", "cosine_similarity": 0.2773816585540771 } }, { "source": "CID:68873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "drospirenone-diphenidol similarity", "source_label": "drospirenone", "target_label": "diphenidol", "cosine_similarity": 0.2329742014408111 } }, { "source": "CID:323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "coumarin-fumonisin-b1 similarity", "source_label": "coumarin", "target_label": "fumonisin-b1", "cosine_similarity": 0.3550677001476288 } }, { "source": "CID:3182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "dyphylline-GW-5074 similarity", "source_label": "dyphylline", "target_label": "GW-5074", "cosine_similarity": 0.2576959729194641 } }, { "source": "CID:44491382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54655704", "properties": { "id": "SA-97343-SA-1462738 similarity", "source_label": "SA-97343", "target_label": "SA-1462738", "cosine_similarity": 0.2852663397789001 } }, { "source": "CID:5202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "serotonin-dalcetrapib similarity", "source_label": "serotonin", "target_label": "dalcetrapib", "cosine_similarity": 0.5233675837516785 } }, { "source": "CID:10745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "acetylsalicylsalicylic-acid-nicotinamide similarity", "source_label": "acetylsalicylsalicylic-acid", "target_label": "nicotinamide", "cosine_similarity": 0.2809226214885711 } }, { "source": "CID:11556711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "carfilzomib-ixazomib similarity", "source_label": "carfilzomib", "target_label": "ixazomib", "cosine_similarity": 0.626371443271637 } }, { "source": "CID:44628955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "foxy-5-ITSA-1 similarity", "source_label": "foxy-5", "target_label": "ITSA-1", "cosine_similarity": 0.2716123461723327 } }, { "source": "CID:5281542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5316606", "properties": { "id": "harpagoside-piceid similarity", "source_label": "harpagoside", "target_label": "piceid", "cosine_similarity": 0.2424635589122772 } }, { "source": "CID:123879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3752", "properties": { "id": "ramatroban-irsogladine similarity", "source_label": "ramatroban", "target_label": "irsogladine", "cosine_similarity": 0.2990084290504455 } }, { "source": "CID:656731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "chromanol-bucladesine similarity", "source_label": "chromanol", "target_label": "bucladesine", "cosine_similarity": 0.2824275493621826 } }, { "source": "CID:5702036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "dexamethasone-acetate-fluticasone-propionate similarity", "source_label": "dexamethasone-acetate", "target_label": "fluticasone-propionate", "cosine_similarity": 0.602423369884491 } }, { "source": "CID:146570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441029", "properties": { "id": "escitalopram-fosfomycin similarity", "source_label": "escitalopram", "target_label": "fosfomycin", "cosine_similarity": 0.3258589804172516 } }, { "source": "CID:4898145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500998", "properties": { "id": "EMF-sumo1-9-SA-245650 similarity", "source_label": "EMF-sumo1-9", "target_label": "SA-245650", "cosine_similarity": 0.2195006757974624 } }, { "source": "CID:4641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:399698", "properties": { "id": "oxyphenbutazone-n-bromoacetyltryptamine similarity", "source_label": "oxyphenbutazone", "target_label": "n-bromoacetyltryptamine", "cosine_similarity": 0.56477290391922 } }, { "source": "CID:5186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "scriptaid-dacinostat similarity", "source_label": "scriptaid", "target_label": "dacinostat", "cosine_similarity": 0.8538491129875183 } }, { "source": "CID:2900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "cycloheximide-cephaeline similarity", "source_label": "cycloheximide", "target_label": "cephaeline", "cosine_similarity": 0.7928939461708069 } }, { "source": "CID:50599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7427", "properties": { "id": "didanosine-trehalose similarity", "source_label": "didanosine", "target_label": "trehalose", "cosine_similarity": 0.1840918511152267 } }, { "source": "CID:2165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "amodiaquine-S-18986 similarity", "source_label": "amodiaquine", "target_label": "S-18986", "cosine_similarity": 0.3969923853874206 } }, { "source": "CID:9846332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "halometasone-budesonide similarity", "source_label": "halometasone", "target_label": "budesonide", "cosine_similarity": 0.3342136740684509 } }, { "source": "CID:19385000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "L-755507-obatoclax similarity", "source_label": "L-755507", "target_label": "obatoclax", "cosine_similarity": 0.3427251875400543 } }, { "source": "CID:6338099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "securinine-pifithrin-mu similarity", "source_label": "securinine", "target_label": "pifithrin-mu", "cosine_similarity": 0.2834410369396209 } }, { "source": "CID:3226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4488", "properties": { "id": "enflurane-niflumic-acid similarity", "source_label": "enflurane", "target_label": "niflumic-acid", "cosine_similarity": 0.1913552284240722 } }, { "source": "CID:10295295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "palovarotene-mCPP similarity", "source_label": "palovarotene", "target_label": "mCPP", "cosine_similarity": 0.4293158948421478 } }, { "source": "CID:82320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:362328", "properties": { "id": "1-EBIO-NSC-625987 similarity", "source_label": "1-EBIO", "target_label": "NSC-625987", "cosine_similarity": 0.5283492803573608 } }, { "source": "CID:3038485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4488", "properties": { "id": "AZD-6765-niflumic-acid similarity", "source_label": "AZD-6765", "target_label": "niflumic-acid", "cosine_similarity": 0.2688722014427185 } }, { "source": "CID:44492524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484295", "properties": { "id": "SA-242939-SA-90544 similarity", "source_label": "SA-242939", "target_label": "SA-90544", "cosine_similarity": 0.2719397246837616 } }, { "source": "CID:1392066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "MW-STK33-100-TUL_XIX003 similarity", "source_label": "MW-STK33-100", "target_label": "TUL_XIX003", "cosine_similarity": 0.5771766901016235 } }, { "source": "CID:11282283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "amuvatinib-sorafenib similarity", "source_label": "amuvatinib", "target_label": "sorafenib", "cosine_similarity": 0.4484336972236633 } }, { "source": "CID:44219749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "WYE-354-AZD-8055 similarity", "source_label": "WYE-354", "target_label": "AZD-8055", "cosine_similarity": 0.8110982179641724 } }, { "source": "CID:10117987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12560", "properties": { "id": "preladenant-erythromycin similarity", "source_label": "preladenant", "target_label": "erythromycin", "cosine_similarity": 0.3148244619369507 } }, { "source": "CID:53377448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "ML-281-TUL_XIX003 similarity", "source_label": "ML-281", "target_label": "TUL_XIX003", "cosine_similarity": 0.3863625526428222 } }, { "source": "CID:45358132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "icariin-PRIMA1 similarity", "source_label": "icariin", "target_label": "PRIMA1", "cosine_similarity": 0.2916012108325958 } }, { "source": "CID:73707420", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "EI-247-GW-9662 similarity", "source_label": "EI-247", "target_label": "GW-9662", "cosine_similarity": 0.2777876853942871 } }, { "source": "CID:3925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "QX-314-Gossypetin similarity", "source_label": "QX-314", "target_label": "Gossypetin", "cosine_similarity": 0.2755823135375976 } }, { "source": "CID:5312122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "KN-93-STA-5326 similarity", "source_label": "KN-93", "target_label": "STA-5326", "cosine_similarity": 0.4736101925373077 } }, { "source": "CID:3012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "R-59022-amikacin similarity", "source_label": "R-59022", "target_label": "amikacin", "cosine_similarity": 0.3668409585952759 } }, { "source": "CID:2820696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "KM-04644SC-CAM-9-021 similarity", "source_label": "KM-04644SC", "target_label": "CAM-9-021", "cosine_similarity": 0.2862729132175445 } }, { "source": "CID:2063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "tyrphostin-1-bemegride similarity", "source_label": "tyrphostin-1", "target_label": "bemegride", "cosine_similarity": 0.3426073491573334 } }, { "source": "CID:2765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "cirazoline-fasudil similarity", "source_label": "cirazoline", "target_label": "fasudil", "cosine_similarity": 0.2293538153171539 } }, { "source": "CID:3157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "doxazosin-lorcaserin similarity", "source_label": "doxazosin", "target_label": "lorcaserin", "cosine_similarity": 0.4173180758953094 } }, { "source": "CID:3360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "floctafenine-ipratropium similarity", "source_label": "floctafenine", "target_label": "ipratropium", "cosine_similarity": 0.1894200295209884 } }, { "source": "CID:71759907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659817", "properties": { "id": "SA-1939891-SA-1460032 similarity", "source_label": "SA-1939891", "target_label": "SA-1460032", "cosine_similarity": 0.2668376266956329 } }, { "source": "CID:442544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3213", "properties": { "id": "tremulacin-ellipticine similarity", "source_label": "tremulacin", "target_label": "ellipticine", "cosine_similarity": 0.2561549246311188 } }, { "source": "CID:15443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "azaperone-BG-STK33-55 similarity", "source_label": "azaperone", "target_label": "BG-STK33-55", "cosine_similarity": 0.2386787384748459 } }, { "source": "CID:9956145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51360697", "properties": { "id": "GGTI-297-KUC107191N similarity", "source_label": "GGTI-297", "target_label": "KUC107191N", "cosine_similarity": 0.2308922260999679 } }, { "source": "CID:46783527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "taurocholic-acid-Gly-Gly-PALO similarity", "source_label": "taurocholic-acid", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3176180422306061 } }, { "source": "CID:16678941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "VX-809-valsartan similarity", "source_label": "VX-809", "target_label": "valsartan", "cosine_similarity": 0.3899767398834228 } }, { "source": "CID:9051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "dydrogesterone-serotonin similarity", "source_label": "dydrogesterone", "target_label": "serotonin", "cosine_similarity": 0.2864071130752563 } }, { "source": "CID:5311510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "GNF-2-KIN001-242 similarity", "source_label": "GNF-2", "target_label": "KIN001-242", "cosine_similarity": 0.5695075392723083 } }, { "source": "CID:10668061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "SCH-442416-dipyrocetyl similarity", "source_label": "SCH-442416", "target_label": "dipyrocetyl", "cosine_similarity": 0.2313576191663742 } }, { "source": "CID:644030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "DY-131-7-nitroindazole similarity", "source_label": "DY-131", "target_label": "7-nitroindazole", "cosine_similarity": 0.2814911305904388 } }, { "source": "CID:146570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "escitalopram-VX-222 similarity", "source_label": "escitalopram", "target_label": "VX-222", "cosine_similarity": 0.3926433026790619 } }, { "source": "CID:60186973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "SA-1938111-glutamine similarity", "source_label": "SA-1938111", "target_label": "glutamine", "cosine_similarity": 0.241373136639595 } }, { "source": "CID:44620034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "SA-427604-SA-97110 similarity", "source_label": "SA-427604", "target_label": "SA-97110", "cosine_similarity": 0.3907899856567383 } }, { "source": "CID:44577753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "ML-347-clozapine similarity", "source_label": "ML-347", "target_label": "clozapine", "cosine_similarity": 0.242128387093544 } }, { "source": "CID:5386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "tegafur-ME-0328 similarity", "source_label": "tegafur", "target_label": "ME-0328", "cosine_similarity": 0.2593625783920288 } }, { "source": "CID:4725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11519070", "properties": { "id": "penciclovir-umeclidinium similarity", "source_label": "penciclovir", "target_label": "umeclidinium", "cosine_similarity": 0.4390833377838135 } }, { "source": "CID:5362440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "indinavir-orciprenaline similarity", "source_label": "indinavir", "target_label": "orciprenaline", "cosine_similarity": 0.4512761235237121 } }, { "source": "CID:9818682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208898", "properties": { "id": "UK-383367-dronedarone similarity", "source_label": "UK-383367", "target_label": "dronedarone", "cosine_similarity": 0.44690603017807 } }, { "source": "CID:4445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "rhodomyrtoxin-niclosamide similarity", "source_label": "rhodomyrtoxin", "target_label": "niclosamide", "cosine_similarity": 0.3823249638080597 } }, { "source": "CID:14987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "lysergol-DAC-009 similarity", "source_label": "lysergol", "target_label": "DAC-009", "cosine_similarity": 0.2463161349296569 } }, { "source": "CID:15478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "digoxigenin-cinobufagin similarity", "source_label": "digoxigenin", "target_label": "cinobufagin", "cosine_similarity": 0.684795081615448 } }, { "source": "CID:132971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5723", "properties": { "id": "abiraterone-zardaverine similarity", "source_label": "abiraterone", "target_label": "zardaverine", "cosine_similarity": 0.2853924036026001 } }, { "source": "CID:44494528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "SA-424763-mesoridazine similarity", "source_label": "SA-424763", "target_label": "mesoridazine", "cosine_similarity": 0.2631595432758331 } }, { "source": "CID:153941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "entecavir-CGS-20625 similarity", "source_label": "entecavir", "target_label": "CGS-20625", "cosine_similarity": 0.4268805384635925 } }, { "source": "CID:24747196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11207937", "properties": { "id": "PSH-025-TMPH similarity", "source_label": "PSH-025", "target_label": "TMPH", "cosine_similarity": 0.2479417026042938 } }, { "source": "CID:5456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707346", "properties": { "id": "thonzonium-pyrvinium similarity", "source_label": "thonzonium", "target_label": "pyrvinium", "cosine_similarity": 0.4698217511177063 } }, { "source": "CID:6604926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "SB-334867-ifosfamide similarity", "source_label": "SB-334867", "target_label": "ifosfamide", "cosine_similarity": 0.366085946559906 } }, { "source": "CID:2879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "cresol-PD-184352 similarity", "source_label": "cresol", "target_label": "PD-184352", "cosine_similarity": 0.296195238828659 } }, { "source": "CID:4306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:704473", "properties": { "id": "W-9-STF-62247 similarity", "source_label": "W-9", "target_label": "STF-62247", "cosine_similarity": 0.252747505903244 } }, { "source": "CID:119565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "l-bso-gossypin similarity", "source_label": "l-bso", "target_label": "gossypin", "cosine_similarity": 0.3325977921485901 } }, { "source": "CID:67278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "phenoxazine-myriocin similarity", "source_label": "phenoxazine", "target_label": "myriocin", "cosine_similarity": 0.4827950596809387 } }, { "source": "CID:5278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "ponalrestat-estrone similarity", "source_label": "ponalrestat", "target_label": "estrone", "cosine_similarity": 0.2398872226476669 } }, { "source": "CID:9797857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "AR-C133057XX-DL-TBOA similarity", "source_label": "AR-C133057XX", "target_label": "DL-TBOA", "cosine_similarity": 0.5576862692832947 } }, { "source": "CID:644076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "lypressin-BMS-345541 similarity", "source_label": "lypressin", "target_label": "BMS-345541", "cosine_similarity": 0.3371249437332153 } }, { "source": "CID:5329103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11524144", "properties": { "id": "SU-11652-dorsomorphin similarity", "source_label": "SU-11652", "target_label": "dorsomorphin", "cosine_similarity": 0.2906445562839508 } }, { "source": "CID:3696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "imipramine-clomipramine similarity", "source_label": "imipramine", "target_label": "clomipramine", "cosine_similarity": 0.5463786125183105 } }, { "source": "CID:3038525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "VX-745-SB-203580 similarity", "source_label": "VX-745", "target_label": "SB-203580", "cosine_similarity": 0.5576012134552002 } }, { "source": "CID:24770514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "CPI-613-diphenidol similarity", "source_label": "CPI-613", "target_label": "diphenidol", "cosine_similarity": 0.4425750076770782 } }, { "source": "CID:338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "salicylic-acid-orciprenaline similarity", "source_label": "salicylic-acid", "target_label": "orciprenaline", "cosine_similarity": 0.2300858050584793 } }, { "source": "CID:2378095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441728", "properties": { "id": "decafluorobutane-deltaline similarity", "source_label": "decafluorobutane", "target_label": "deltaline", "cosine_similarity": 0.2343536615371704 } }, { "source": "CID:44489454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "SA-84902-Y-27632 similarity", "source_label": "SA-84902", "target_label": "Y-27632", "cosine_similarity": 0.2525326609611511 } }, { "source": "CID:51634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "miglustat-cilomilast similarity", "source_label": "miglustat", "target_label": "cilomilast", "cosine_similarity": 0.4491204917430877 } }, { "source": "CID:45259135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "VU-0415108-1-methapyrilene similarity", "source_label": "VU-0415108-1", "target_label": "methapyrilene", "cosine_similarity": 0.2499041110277176 } }, { "source": "CID:10201696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549000", "properties": { "id": "balicatib-levocetirizine similarity", "source_label": "balicatib", "target_label": "levocetirizine", "cosine_similarity": 0.4769777059555053 } }, { "source": "CID:60852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4887", "properties": { "id": "ibandronic-acid-pranlukast similarity", "source_label": "ibandronic-acid", "target_label": "pranlukast", "cosine_similarity": 0.1840860247611999 } }, { "source": "CID:25199517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "WAY-262611-niguldipine similarity", "source_label": "WAY-262611", "target_label": "niguldipine", "cosine_similarity": 0.4141216576099396 } }, { "source": "CID:16126898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "VTP-27999-alizapride similarity", "source_label": "VTP-27999", "target_label": "alizapride", "cosine_similarity": 0.3644240200519562 } }, { "source": "CID:54657711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-1456751-SA-1463838 similarity", "source_label": "SA-1456751", "target_label": "SA-1463838", "cosine_similarity": 0.3909844756126404 } }, { "source": "CID:6610261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125085", "properties": { "id": "L-744832-p-aminophenethylspiperone similarity", "source_label": "L-744832", "target_label": "p-aminophenethylspiperone", "cosine_similarity": 0.3093914687633514 } }, { "source": "CID:41867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "epirubicin-daunorubicin similarity", "source_label": "epirubicin", "target_label": "daunorubicin", "cosine_similarity": 0.8975181579589844 } }, { "source": "CID:10461508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "volasertib-BI-2536 similarity", "source_label": "volasertib", "target_label": "BI-2536", "cosine_similarity": 0.8208671808242798 } }, { "source": "CID:51387307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707499", "properties": { "id": "cefsulodin-paromomycin similarity", "source_label": "cefsulodin", "target_label": "paromomycin", "cosine_similarity": 0.2244890332221985 } }, { "source": "CID:2187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "anastrozole-apafant similarity", "source_label": "anastrozole", "target_label": "apafant", "cosine_similarity": 0.3802316784858703 } }, { "source": "CID:9874913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "CP-724714-GNF-2 similarity", "source_label": "CP-724714", "target_label": "GNF-2", "cosine_similarity": 0.3146296143531799 } }, { "source": "CID:2448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "bromperidol-SA-1462678 similarity", "source_label": "bromperidol", "target_label": "SA-1462678", "cosine_similarity": 0.2094499170780182 } }, { "source": "CID:5794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60910", "properties": { "id": "piperonyl-butoxide-mifobate similarity", "source_label": "piperonyl-butoxide", "target_label": "mifobate", "cosine_similarity": 0.2539429664611816 } }, { "source": "CID:60700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "topotecan-genz-644282 similarity", "source_label": "topotecan", "target_label": "genz-644282", "cosine_similarity": 0.7914431095123291 } }, { "source": "CID:3559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "haloperidol-CAY-10594 similarity", "source_label": "haloperidol", "target_label": "CAY-10594", "cosine_similarity": 0.5124483108520508 } }, { "source": "CID:10330240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "VUF-5681-ARG-CSC-91 similarity", "source_label": "VUF-5681", "target_label": "ARG-CSC-91", "cosine_similarity": 0.3287377655506134 } }, { "source": "CID:26757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "selegiline-GSK-J2 similarity", "source_label": "selegiline", "target_label": "GSK-J2", "cosine_similarity": 0.4365339279174804 } }, { "source": "CID:5282440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "ozagrel-tiapride similarity", "source_label": "ozagrel", "target_label": "tiapride", "cosine_similarity": 0.4531871974468231 } }, { "source": "CID:446157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "rosuvastatin-lorcaserin similarity", "source_label": "rosuvastatin", "target_label": "lorcaserin", "cosine_similarity": 0.4205593466758728 } }, { "source": "CID:72551585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "UNC-1999-sertraline similarity", "source_label": "UNC-1999", "target_label": "sertraline", "cosine_similarity": 0.5120464563369751 } }, { "source": "CID:135787369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "BG-1020-BG-1023 similarity", "source_label": "BG-1020", "target_label": "BG-1023", "cosine_similarity": 0.2737579345703125 } }, { "source": "CID:5994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "progesterone-dexamethasone similarity", "source_label": "progesterone", "target_label": "dexamethasone", "cosine_similarity": 0.3393610715866089 } }, { "source": "CID:3540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3542", "properties": { "id": "H-8-H-7 similarity", "source_label": "H-8", "target_label": "H-7", "cosine_similarity": 0.2559060752391815 } }, { "source": "CID:442128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3442", "properties": { "id": "dihydrosamidin-fusaric-acid similarity", "source_label": "dihydrosamidin", "target_label": "fusaric-acid", "cosine_similarity": 0.3482155501842499 } }, { "source": "CID:5573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "trimebutine-bucladesine similarity", "source_label": "trimebutine", "target_label": "bucladesine", "cosine_similarity": 0.4010736644268036 } }, { "source": "CID:134018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "febuxostat-dorzolamide similarity", "source_label": "febuxostat", "target_label": "dorzolamide", "cosine_similarity": 0.3650917410850525 } }, { "source": "CID:54669118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669111", "properties": { "id": "SA-1921902-SA-1921614 similarity", "source_label": "SA-1921902", "target_label": "SA-1921614", "cosine_similarity": 0.245404377579689 } }, { "source": "CID:125519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23777784", "properties": { "id": "aminogenistein-UGISS-186 similarity", "source_label": "aminogenistein", "target_label": "UGISS-186", "cosine_similarity": 0.2384102493524551 } }, { "source": "CID:5281426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22565", "properties": { "id": "umbelliferone-aminopentamide similarity", "source_label": "umbelliferone", "target_label": "aminopentamide", "cosine_similarity": 0.2590857744216919 } }, { "source": "CID:4976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "protriptyline-STA-5326 similarity", "source_label": "protriptyline", "target_label": "STA-5326", "cosine_similarity": 0.5276556015014648 } }, { "source": "CID:9543540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "BML-210-tacedinaline similarity", "source_label": "BML-210", "target_label": "tacedinaline", "cosine_similarity": 0.572002112865448 } }, { "source": "CID:46209133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "omarigliptin-T-0156 similarity", "source_label": "omarigliptin", "target_label": "T-0156", "cosine_similarity": 0.2971988618373871 } }, { "source": "CID:3760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "isoconazole-meclizine similarity", "source_label": "isoconazole", "target_label": "meclizine", "cosine_similarity": 0.3502974808216095 } }, { "source": "CID:5316606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "piceid-navitoclax similarity", "source_label": "piceid", "target_label": "navitoclax", "cosine_similarity": 0.3148220777511596 } }, { "source": "CID:2377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "bifemelane-pritelivir similarity", "source_label": "bifemelane", "target_label": "pritelivir", "cosine_similarity": 0.4584094882011413 } }, { "source": "CID:34040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "nicergoline-ketorolac similarity", "source_label": "nicergoline", "target_label": "ketorolac", "cosine_similarity": 0.3955007493495941 } }, { "source": "CID:442912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91896203", "properties": { "id": "hydroquinidine-ST-4070169 similarity", "source_label": "hydroquinidine", "target_label": "ST-4070169", "cosine_similarity": 0.2124391496181488 } }, { "source": "CID:5702036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "dexamethasone-acetate-clobetasol similarity", "source_label": "dexamethasone-acetate", "target_label": "clobetasol", "cosine_similarity": 0.5880598425865173 } }, { "source": "CID:12387471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "KUC111774N-tyrphostin-A9 similarity", "source_label": "KUC111774N", "target_label": "tyrphostin-A9", "cosine_similarity": 0.4522509574890136 } }, { "source": "CID:5282493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "clocortolone-pivalate-methylprednisolone similarity", "source_label": "clocortolone-pivalate", "target_label": "methylprednisolone", "cosine_similarity": 0.6400787234306335 } }, { "source": "CID:188914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "BD-1047-SAL-1 similarity", "source_label": "BD-1047", "target_label": "SAL-1", "cosine_similarity": 0.2906957864761352 } }, { "source": "CID:16118392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3036703", "properties": { "id": "golvatinib-zosuquidar similarity", "source_label": "golvatinib", "target_label": "zosuquidar", "cosine_similarity": 0.3444126844406128 } }, { "source": "CID:213023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "dabigatran-etexilate-lomerizine similarity", "source_label": "dabigatran-etexilate", "target_label": "lomerizine", "cosine_similarity": 0.3495850265026092 } }, { "source": "CID:2159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "amisulpride-fumonisin-b1 similarity", "source_label": "amisulpride", "target_label": "fumonisin-b1", "cosine_similarity": 0.5610645413398743 } }, { "source": "CID:9553856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2736690", "properties": { "id": "furaltadone-IBC-293 similarity", "source_label": "furaltadone", "target_label": "IBC-293", "cosine_similarity": 0.2259638309478759 } }, { "source": "CID:44618423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SD-6-035-A1-phenothiazine similarity", "source_label": "SD-6-035-A1", "target_label": "phenothiazine", "cosine_similarity": 0.2094362080097198 } }, { "source": "CID:9860529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "NU-7026-CGS-21680 similarity", "source_label": "NU-7026", "target_label": "CGS-21680", "cosine_similarity": 0.3895278871059418 } }, { "source": "CID:72894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36689751", "properties": { "id": "2-aminobenzenesulfonamide-tetroquinone similarity", "source_label": "2-aminobenzenesulfonamide", "target_label": "tetroquinone", "cosine_similarity": 0.2953421175479889 } }, { "source": "CID:2733768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4178", "properties": { "id": "taurodeoxycholic-acid-mexiletine similarity", "source_label": "taurodeoxycholic-acid", "target_label": "mexiletine", "cosine_similarity": 0.2705863416194916 } }, { "source": "CID:1780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "eicosatetraynoic-acid-mannitol similarity", "source_label": "eicosatetraynoic-acid", "target_label": "mannitol", "cosine_similarity": 0.3097834289073944 } }, { "source": "CID:4636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "oxymetazoline-carprofen similarity", "source_label": "oxymetazoline", "target_label": "carprofen", "cosine_similarity": 0.3412429690361023 } }, { "source": "CID:72430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "MDL-28170-leu-enkephalin similarity", "source_label": "MDL-28170", "target_label": "leu-enkephalin", "cosine_similarity": 0.3365801870822906 } }, { "source": "CID:3448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "gaboxadol-bupropion similarity", "source_label": "gaboxadol", "target_label": "bupropion", "cosine_similarity": 0.360556960105896 } }, { "source": "CID:5132514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "L-690488-TW-37 similarity", "source_label": "L-690488", "target_label": "TW-37", "cosine_similarity": 0.4081769287586212 } }, { "source": "CID:2777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "CL-82198-FTI-276 similarity", "source_label": "CL-82198", "target_label": "FTI-276", "cosine_similarity": 0.3331890404224396 } }, { "source": "CID:148124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009963", "properties": { "id": "docetaxel-cabazitaxel similarity", "source_label": "docetaxel", "target_label": "cabazitaxel", "cosine_similarity": 0.8941783905029297 } }, { "source": "CID:4302962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "AM-281-GNF-2 similarity", "source_label": "AM-281", "target_label": "GNF-2", "cosine_similarity": 0.161133587360382 } }, { "source": "CID:442793", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "gingerol-myricetin similarity", "source_label": "gingerol", "target_label": "myricetin", "cosine_similarity": 0.2735344767570495 } }, { "source": "CID:24151277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "nikkomycin-L-ergothioneine similarity", "source_label": "nikkomycin", "target_label": "L-ergothioneine", "cosine_similarity": 0.396100789308548 } }, { "source": "CID:9839311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "A-205804-troglitazone similarity", "source_label": "A-205804", "target_label": "troglitazone", "cosine_similarity": 0.2902125418186188 } }, { "source": "CID:6449767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "arvanil-SA-792709 similarity", "source_label": "arvanil", "target_label": "SA-792709", "cosine_similarity": 0.4697344303131103 } }, { "source": "CID:46844147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57340671", "properties": { "id": "XMD-885-JWE-035 similarity", "source_label": "XMD-885", "target_label": "JWE-035", "cosine_similarity": 0.5964460968971252 } }, { "source": "CID:4909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439246", "properties": { "id": "primidone-naringenin similarity", "source_label": "primidone", "target_label": "naringenin", "cosine_similarity": 0.3752439022064209 } }, { "source": "CID:3604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282375", "properties": { "id": "hexamethonium-etretinate similarity", "source_label": "hexamethonium", "target_label": "etretinate", "cosine_similarity": 0.1804421544075012 } }, { "source": "CID:21785456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607977", "properties": { "id": "KU-C103869-KU-C104145 similarity", "source_label": "KU-C103869", "target_label": "KU-C104145", "cosine_similarity": 0.3478590548038482 } }, { "source": "CID:2972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "deferiprone-cabozantinib similarity", "source_label": "deferiprone", "target_label": "cabozantinib", "cosine_similarity": 0.2859843671321869 } }, { "source": "CID:438981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3272300", "properties": { "id": "NSC-693868-SB-203186 similarity", "source_label": "NSC-693868", "target_label": "SB-203186", "cosine_similarity": 0.3143669962882995 } }, { "source": "CID:6010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483291", "properties": { "id": "testosterone-medrysone similarity", "source_label": "testosterone", "target_label": "medrysone", "cosine_similarity": 0.2071905881166458 } }, { "source": "CID:20854195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "KUC104235N-pepstatin similarity", "source_label": "KUC104235N", "target_label": "pepstatin", "cosine_similarity": 0.3431300222873688 } }, { "source": "CID:60773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441594", "properties": { "id": "valaciclovir-hippeastrine similarity", "source_label": "valaciclovir", "target_label": "hippeastrine", "cosine_similarity": 0.2228929251432418 } }, { "source": "CID:54656096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483932", "properties": { "id": "SA-1473648-SA-423862 similarity", "source_label": "SA-1473648", "target_label": "SA-423862", "cosine_similarity": 0.2394358962774276 } }, { "source": "CID:3455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "vanoxerine-dabrafenib similarity", "source_label": "vanoxerine", "target_label": "dabrafenib", "cosine_similarity": 0.3678682744503021 } }, { "source": "CID:51537051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "LDN-57444-camptothecin similarity", "source_label": "LDN-57444", "target_label": "camptothecin", "cosine_similarity": 0.3288843631744385 } }, { "source": "CID:4237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "mofezolac-DM-161 similarity", "source_label": "mofezolac", "target_label": "DM-161", "cosine_similarity": 0.2958761751651764 } }, { "source": "CID:9880620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "piroxicam-methimazole similarity", "source_label": "piroxicam", "target_label": "methimazole", "cosine_similarity": 0.3350077271461487 } }, { "source": "CID:6610267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "EI-231-HO-013 similarity", "source_label": "EI-231", "target_label": "HO-013", "cosine_similarity": 0.3853660225868225 } }, { "source": "CID:16490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "flumetasone-hydrocortisone similarity", "source_label": "flumetasone", "target_label": "hydrocortisone", "cosine_similarity": 0.4949342012405395 } }, { "source": "CID:2685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11626560", "properties": { "id": "CGP-20712-crizotinib similarity", "source_label": "CGP-20712", "target_label": "crizotinib", "cosine_similarity": 0.2341703027486801 } }, { "source": "CID:19728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "noscapine-fluoropyruvate similarity", "source_label": "noscapine", "target_label": "fluoropyruvate", "cosine_similarity": 0.3030095994472503 } }, { "source": "CID:4849", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "piretanide-cholic-acid similarity", "source_label": "piretanide", "target_label": "cholic-acid", "cosine_similarity": 0.4370968639850616 } }, { "source": "CID:128853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107950", "properties": { "id": "delphinidin-CL-218872 similarity", "source_label": "delphinidin", "target_label": "CL-218872", "cosine_similarity": 0.1505587548017501 } }, { "source": "CID:54667764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7079134", "properties": { "id": "SA-1920756-JAS07-001 similarity", "source_label": "SA-1920756", "target_label": "JAS07-001", "cosine_similarity": 0.2153246402740478 } }, { "source": "CID:168182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "valyltryptophan-zebularine similarity", "source_label": "valyltryptophan", "target_label": "zebularine", "cosine_similarity": 0.2957338094711303 } }, { "source": "CID:3780913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "ST-019386-cortisone-acetate similarity", "source_label": "ST-019386", "target_label": "cortisone-acetate", "cosine_similarity": 0.2467378824949264 } }, { "source": "CID:10099206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "LB-42708-PI-828 similarity", "source_label": "LB-42708", "target_label": "PI-828", "cosine_similarity": 0.4038281142711639 } }, { "source": "CID:2904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "cyclopenthiazide-amyleine similarity", "source_label": "cyclopenthiazide", "target_label": "amyleine", "cosine_similarity": 0.2407173365354538 } }, { "source": "CID:11012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15478", "properties": { "id": "gitoxigenin-digoxigenin similarity", "source_label": "gitoxigenin", "target_label": "digoxigenin", "cosine_similarity": 0.5438812971115112 } }, { "source": "CID:2630179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "EMF-sumo1-12-sildenafil similarity", "source_label": "EMF-sumo1-12", "target_label": "sildenafil", "cosine_similarity": 0.3536445796489715 } }, { "source": "CID:9886498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "HU-211-heliomycin similarity", "source_label": "HU-211", "target_label": "heliomycin", "cosine_similarity": 0.334800660610199 } }, { "source": "CID:984170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "CCT-018159-geldanamycin similarity", "source_label": "CCT-018159", "target_label": "geldanamycin", "cosine_similarity": 0.6432656049728394 } }, { "source": "CID:5353760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187611", "properties": { "id": "methoprene-acid-SA-1939838 similarity", "source_label": "methoprene-acid", "target_label": "SA-1939838", "cosine_similarity": 0.246537759900093 } }, { "source": "CID:2541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "candesartan-CO-102862 similarity", "source_label": "candesartan", "target_label": "CO-102862", "cosine_similarity": 0.321460485458374 } }, { "source": "CID:14987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156314", "properties": { "id": "lysergol-dipropyl-5ct similarity", "source_label": "lysergol", "target_label": "dipropyl-5ct", "cosine_similarity": 0.2242739796638488 } }, { "source": "CID:44618378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-424170-SA-441487 similarity", "source_label": "SA-424170", "target_label": "SA-441487", "cosine_similarity": 0.3372286558151245 } }, { "source": "CID:25109985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680398", "properties": { "id": "SJB-shh-31-MW-SHH-97 similarity", "source_label": "SJB-shh-31", "target_label": "MW-SHH-97", "cosine_similarity": 0.2821808755397796 } }, { "source": "CID:10074640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "masitinib-salmeterol similarity", "source_label": "masitinib", "target_label": "salmeterol", "cosine_similarity": 0.5471807718276978 } }, { "source": "CID:24831714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5560", "properties": { "id": "sotagliflozin-trichlormethiazide similarity", "source_label": "sotagliflozin", "target_label": "trichlormethiazide", "cosine_similarity": 0.1724409013986587 } }, { "source": "CID:600670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "lomatin-amikacin similarity", "source_label": "lomatin", "target_label": "amikacin", "cosine_similarity": 0.4232588410377502 } }, { "source": "CID:60194076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "MD-II-008-P-F-1566-0341 similarity", "source_label": "MD-II-008-P", "target_label": "F-1566-0341", "cosine_similarity": 0.7560514807701111 } }, { "source": "CID:34772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6449767", "properties": { "id": "BE-2254-arvanil similarity", "source_label": "BE-2254", "target_label": "arvanil", "cosine_similarity": 0.2958130240440368 } }, { "source": "CID:219078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "lacosamide-meloxicam similarity", "source_label": "lacosamide", "target_label": "meloxicam", "cosine_similarity": 0.4618237018585205 } }, { "source": "CID:3950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "lomustine-marbofloxacin similarity", "source_label": "lomustine", "target_label": "marbofloxacin", "cosine_similarity": 0.4510438442230224 } }, { "source": "CID:4038180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "A-61603-6-chloromelatonin similarity", "source_label": "A-61603", "target_label": "6-chloromelatonin", "cosine_similarity": 0.4433874189853668 } }, { "source": "CID:44484010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483932", "properties": { "id": "SA-85764-SA-423862 similarity", "source_label": "SA-85764", "target_label": "SA-423862", "cosine_similarity": 0.2466895580291748 } }, { "source": "CID:2794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6915744", "properties": { "id": "clofazimine-roxithromycin similarity", "source_label": "clofazimine", "target_label": "roxithromycin", "cosine_similarity": 0.360886663198471 } }, { "source": "CID:60773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3247059", "properties": { "id": "valaciclovir-epoxycholesterol similarity", "source_label": "valaciclovir", "target_label": "epoxycholesterol", "cosine_similarity": 0.240051582455635 } }, { "source": "CID:11345983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "cardiogenol-c-lenalidomide similarity", "source_label": "cardiogenol-c", "target_label": "lenalidomide", "cosine_similarity": 0.2866061925888061 } }, { "source": "CID:24864821", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "AMG-208-phenylbutazone similarity", "source_label": "AMG-208", "target_label": "phenylbutazone", "cosine_similarity": 0.3253485262393951 } }, { "source": "CID:71188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "enrofloxacin-vecuronium similarity", "source_label": "enrofloxacin", "target_label": "vecuronium", "cosine_similarity": 0.3546613156795501 } }, { "source": "CID:6710752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "iriflophenone-JAS07-006 similarity", "source_label": "iriflophenone", "target_label": "JAS07-006", "cosine_similarity": 0.3804540932178497 } }, { "source": "CID:4112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "methotrexate-mitomycin-c similarity", "source_label": "methotrexate", "target_label": "mitomycin-c", "cosine_similarity": 0.5110704898834229 } }, { "source": "CID:3600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57697", "properties": { "id": "miltefosine-pemirolast similarity", "source_label": "miltefosine", "target_label": "pemirolast", "cosine_similarity": 0.3144549131393432 } }, { "source": "CID:16363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "benperidol-mebendazole similarity", "source_label": "benperidol", "target_label": "mebendazole", "cosine_similarity": 0.2292878031730651 } }, { "source": "CID:6603901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "L-2167-triprolidine similarity", "source_label": "L-2167", "target_label": "triprolidine", "cosine_similarity": 0.286088228225708 } }, { "source": "CID:5601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "thenoyltrifluoroacetone-levosulpiride similarity", "source_label": "thenoyltrifluoroacetone", "target_label": "levosulpiride", "cosine_similarity": 0.2945439219474792 } }, { "source": "CID:5315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "succinylsulfathiazole-ajmaline similarity", "source_label": "succinylsulfathiazole", "target_label": "ajmaline", "cosine_similarity": 0.3934679329395294 } }, { "source": "CID:146570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "escitalopram-phenylacetylglutamine similarity", "source_label": "escitalopram", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.4236055314540863 } }, { "source": "CID:3655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11618368", "properties": { "id": "velnacrine-tozadenant similarity", "source_label": "velnacrine", "target_label": "tozadenant", "cosine_similarity": 0.2210147082805633 } }, { "source": "CID:44623946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "N-6022-clofibric-acid similarity", "source_label": "N-6022", "target_label": "clofibric-acid", "cosine_similarity": 0.4462101757526397 } }, { "source": "CID:53389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "rimcazole-FIT similarity", "source_label": "rimcazole", "target_label": "FIT", "cosine_similarity": 0.5319745540618896 } }, { "source": "CID:5455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "thiram-F-1566-0341 similarity", "source_label": "thiram", "target_label": "F-1566-0341", "cosine_similarity": 0.4290657937526703 } }, { "source": "CID:5665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5319", "properties": { "id": "vigabatrin-sulfabenzamide similarity", "source_label": "vigabatrin", "target_label": "sulfabenzamide", "cosine_similarity": 0.2670925259590149 } }, { "source": "CID:135886612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "DAC-003-DAC-009 similarity", "source_label": "DAC-003", "target_label": "DAC-009", "cosine_similarity": 0.4234117567539215 } }, { "source": "CID:5273569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "fraxetin-Gossypetin similarity", "source_label": "fraxetin", "target_label": "Gossypetin", "cosine_similarity": 0.32450732588768 } }, { "source": "CID:25051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5757", "properties": { "id": "cyclocytidine-estradiol similarity", "source_label": "cyclocytidine", "target_label": "estradiol", "cosine_similarity": 0.14247527718544 } }, { "source": "CID:2894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "cyclazosin-trifluoperazine similarity", "source_label": "cyclazosin", "target_label": "trifluoperazine", "cosine_similarity": 0.3499385118484497 } }, { "source": "CID:7048637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "cefalotin-JAS07-006 similarity", "source_label": "cefalotin", "target_label": "JAS07-006", "cosine_similarity": 0.2688624858856201 } }, { "source": "CID:460747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "STK-397047-celastrol similarity", "source_label": "STK-397047", "target_label": "celastrol", "cosine_similarity": 0.5309956669807434 } }, { "source": "CID:3151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "domperidone-simvastatin similarity", "source_label": "domperidone", "target_label": "simvastatin", "cosine_similarity": 0.1836631447076797 } }, { "source": "CID:73707519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62389", "properties": { "id": "chlortetracycline-6-benzylaminopurine similarity", "source_label": "chlortetracycline", "target_label": "6-benzylaminopurine", "cosine_similarity": 0.2533311545848846 } }, { "source": "CID:54657735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:761523", "properties": { "id": "SA-1457187-m-3M3FBS similarity", "source_label": "SA-1457187", "target_label": "m-3M3FBS", "cosine_similarity": 0.2059178501367569 } }, { "source": "CID:5462501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6049", "properties": { "id": "enalaprilat-ethylenediaminetetraacetic-acid similarity", "source_label": "enalaprilat", "target_label": "ethylenediaminetetraacetic-acid", "cosine_similarity": 0.1609906554222107 } }, { "source": "CID:35370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44112", "properties": { "id": "zidovudine-bopindolol similarity", "source_label": "zidovudine", "target_label": "bopindolol", "cosine_similarity": 0.4068901836872101 } }, { "source": "CID:72303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "honokiol-saxagliptin similarity", "source_label": "honokiol", "target_label": "saxagliptin", "cosine_similarity": 0.5319896936416626 } }, { "source": "CID:6918184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "Y-27152-paracetamol similarity", "source_label": "Y-27152", "target_label": "paracetamol", "cosine_similarity": 0.3655179142951965 } }, { "source": "CID:4369270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "digitoxigenin-bufalin similarity", "source_label": "digitoxigenin", "target_label": "bufalin", "cosine_similarity": 0.8317912817001343 } }, { "source": "CID:5472495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "exisulind-cephaeline similarity", "source_label": "exisulind", "target_label": "cephaeline", "cosine_similarity": 0.2909433245658874 } }, { "source": "CID:24868317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20345", "properties": { "id": "UCL-2077-kinetin-riboside similarity", "source_label": "UCL-2077", "target_label": "kinetin-riboside", "cosine_similarity": 0.2559555172920227 } }, { "source": "CID:449459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "tamoxifen-trifluoperazine similarity", "source_label": "tamoxifen", "target_label": "trifluoperazine", "cosine_similarity": 0.7010775208473206 } }, { "source": "CID:9867642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "laropiprant-meclizine similarity", "source_label": "laropiprant", "target_label": "meclizine", "cosine_similarity": 0.3257681131362915 } }, { "source": "CID:9803963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "GW-501516-lorazepam similarity", "source_label": "GW-501516", "target_label": "lorazepam", "cosine_similarity": 0.4505556523799896 } }, { "source": "CID:4235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2782", "properties": { "id": "moclobemide-clemizole similarity", "source_label": "moclobemide", "target_label": "clemizole", "cosine_similarity": 0.3324747383594513 } }, { "source": "CID:24151277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "nikkomycin-idelalisib similarity", "source_label": "nikkomycin", "target_label": "idelalisib", "cosine_similarity": 0.3944120109081268 } }, { "source": "CID:5163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "SB-206553-dubinidine similarity", "source_label": "SB-206553", "target_label": "dubinidine", "cosine_similarity": 0.3395578563213348 } }, { "source": "CID:6035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "broxuridine-SB-683698 similarity", "source_label": "broxuridine", "target_label": "SB-683698", "cosine_similarity": 0.2454082369804382 } }, { "source": "CID:65015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "plerixafor-meglitinide similarity", "source_label": "plerixafor", "target_label": "meglitinide", "cosine_similarity": 0.2973699569702148 } }, { "source": "CID:182593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "RS-23597-190-YK-4279 similarity", "source_label": "RS-23597-190", "target_label": "YK-4279", "cosine_similarity": 0.3839912712574005 } }, { "source": "CID:9874838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "T-98475-terfenadine similarity", "source_label": "T-98475", "target_label": "terfenadine", "cosine_similarity": 0.6819251775741577 } }, { "source": "CID:9884685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "PI-103-ZSTK-474 similarity", "source_label": "PI-103", "target_label": "ZSTK-474", "cosine_similarity": 0.7932680249214172 } }, { "source": "CID:44483957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "SA-424936-SD-6-035-A3 similarity", "source_label": "SA-424936", "target_label": "SD-6-035-A3", "cosine_similarity": 0.3087759017944336 } }, { "source": "CID:6857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "quinisocaine-ML-161 similarity", "source_label": "quinisocaine", "target_label": "ML-161", "cosine_similarity": 0.2939117550849914 } }, { "source": "CID:10297043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2895", "properties": { "id": "AEE-788-cyclobenzaprine similarity", "source_label": "AEE-788", "target_label": "cyclobenzaprine", "cosine_similarity": 0.3156845271587372 } }, { "source": "CID:3062316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16038120", "properties": { "id": "dasatinib-NVP-TAE684 similarity", "source_label": "dasatinib", "target_label": "NVP-TAE684", "cosine_similarity": 0.5375686287879944 } }, { "source": "CID:16747683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46220502", "properties": { "id": "AZD-5438-LY-2835219 similarity", "source_label": "AZD-5438", "target_label": "LY-2835219", "cosine_similarity": 0.6361256837844849 } }, { "source": "CID:73265276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "WZ-7043-AZD-8330 similarity", "source_label": "WZ-7043", "target_label": "AZD-8330", "cosine_similarity": 0.3333004415035248 } }, { "source": "CID:10410894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "LE-135-FCCP similarity", "source_label": "LE-135", "target_label": "FCCP", "cosine_similarity": 0.4791718125343323 } }, { "source": "CID:51003694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "EMF-sumo1-39-EMF-sumo1-11 similarity", "source_label": "EMF-sumo1-39", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.7973282933235168 } }, { "source": "CID:22752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "lobendazole-prima-1-met similarity", "source_label": "lobendazole", "target_label": "prima-1-met", "cosine_similarity": 0.2478464245796203 } }, { "source": "CID:4528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "nomifensine-diazoxide similarity", "source_label": "nomifensine", "target_label": "diazoxide", "cosine_similarity": 0.2247344404458999 } }, { "source": "CID:6708718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3329", "properties": { "id": "lupanine-faropenem similarity", "source_label": "lupanine", "target_label": "faropenem", "cosine_similarity": 0.3354764580726623 } }, { "source": "CID:5152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "salmeterol-thioridazine similarity", "source_label": "salmeterol", "target_label": "thioridazine", "cosine_similarity": 0.6111940145492554 } }, { "source": "CID:145659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "sinensetin-fasudil similarity", "source_label": "sinensetin", "target_label": "fasudil", "cosine_similarity": 0.2307732999324798 } }, { "source": "CID:108143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "tamibarotene-tretinoin similarity", "source_label": "tamibarotene", "target_label": "tretinoin", "cosine_similarity": 0.5252888798713684 } }, { "source": "CID:5742673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "cefotaxime-NCS-382 similarity", "source_label": "cefotaxime", "target_label": "NCS-382", "cosine_similarity": 0.3225706219673157 } }, { "source": "CID:46931004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "danoprevir-AICA-ribonucleotide similarity", "source_label": "danoprevir", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3104413151741028 } }, { "source": "CID:73707407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "doxercalciferol-BG-STK33-55 similarity", "source_label": "doxercalciferol", "target_label": "BG-STK33-55", "cosine_similarity": 0.2853280901908874 } }, { "source": "CID:6604928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "GS-39783-Gossypetin similarity", "source_label": "GS-39783", "target_label": "Gossypetin", "cosine_similarity": 0.2442389279603958 } }, { "source": "CID:23947601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "cinobufagin-ouabain similarity", "source_label": "cinobufagin", "target_label": "ouabain", "cosine_similarity": 0.8825254440307617 } }, { "source": "CID:5482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9889366", "properties": { "id": "tioconazole-mibampator similarity", "source_label": "tioconazole", "target_label": "mibampator", "cosine_similarity": 0.3515509665012359 } }, { "source": "CID:66265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "dexfenfluramine-rocuronium similarity", "source_label": "dexfenfluramine", "target_label": "rocuronium", "cosine_similarity": 0.5098318457603455 } }, { "source": "CID:44607591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "KU-C104142-NM-PP1 similarity", "source_label": "KU-C104142", "target_label": "NM-PP1", "cosine_similarity": 0.3252213597297668 } }, { "source": "CID:53358942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "RG-7388-etoposide similarity", "source_label": "RG-7388", "target_label": "etoposide", "cosine_similarity": 0.5359343886375427 } }, { "source": "CID:3488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "glibenclamide-JZL-184 similarity", "source_label": "glibenclamide", "target_label": "JZL-184", "cosine_similarity": 0.4096782803535461 } }, { "source": "CID:2284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505490", "properties": { "id": "baclofen-SA-419172 similarity", "source_label": "baclofen", "target_label": "SA-419172", "cosine_similarity": 0.2555834352970123 } }, { "source": "CID:398148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44199317", "properties": { "id": "NU-6027-AZD-2461 similarity", "source_label": "NU-6027", "target_label": "AZD-2461", "cosine_similarity": 0.3196721076965332 } }, { "source": "CID:149784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "EHNA-LFM-A13 similarity", "source_label": "EHNA", "target_label": "LFM-A13", "cosine_similarity": 0.2623846530914306 } }, { "source": "CID:54614984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507307", "properties": { "id": "SA-434027-SA-247654 similarity", "source_label": "SA-434027", "target_label": "SA-247654", "cosine_similarity": 0.2741924822330475 } }, { "source": "CID:44483234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "terreic-acid-NSC-95397 similarity", "source_label": "terreic-acid", "target_label": "NSC-95397", "cosine_similarity": 0.5975224375724792 } }, { "source": "CID:25150857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "BIX-01294-tetrandrine similarity", "source_label": "BIX-01294", "target_label": "tetrandrine", "cosine_similarity": 0.466329276561737 } }, { "source": "CID:19529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53001", "properties": { "id": "diloxanide-dazoxiben similarity", "source_label": "diloxanide", "target_label": "dazoxiben", "cosine_similarity": 0.2107271254062652 } }, { "source": "CID:2378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "bifonazole-GDC-0199 similarity", "source_label": "bifonazole", "target_label": "GDC-0199", "cosine_similarity": 0.3654184341430664 } }, { "source": "CID:3634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "hycanthone-R-547 similarity", "source_label": "hycanthone", "target_label": "R-547", "cosine_similarity": 0.3128929436206817 } }, { "source": "CID:23418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4097", "properties": { "id": "ormetoprim-methantheline similarity", "source_label": "ormetoprim", "target_label": "methantheline", "cosine_similarity": 0.2032654285430908 } }, { "source": "CID:69216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329099", "properties": { "id": "5-methylhydantoin-orantinib similarity", "source_label": "5-methylhydantoin", "target_label": "orantinib", "cosine_similarity": 0.2336584329605102 } }, { "source": "CID:31101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "bromocriptine-palovarotene similarity", "source_label": "bromocriptine", "target_label": "palovarotene", "cosine_similarity": 0.3614879548549652 } }, { "source": "CID:20854254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "KU-C104236N-myricetin similarity", "source_label": "KU-C104236N", "target_label": "myricetin", "cosine_similarity": 0.3597109615802765 } }, { "source": "CID:409805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "NSC-23766-T-5345967 similarity", "source_label": "NSC-23766", "target_label": "T-5345967", "cosine_similarity": 0.5023126602172852 } }, { "source": "CID:3229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68634", "properties": { "id": "enoxacin-oxiperomide similarity", "source_label": "enoxacin", "target_label": "oxiperomide", "cosine_similarity": 0.3001250922679901 } }, { "source": "CID:9810884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "Y-39983-THZ-2-98-01 similarity", "source_label": "Y-39983", "target_label": "THZ-2-98-01", "cosine_similarity": 0.4549514353275299 } }, { "source": "CID:46908929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "tofogliflozin-gemcitabine similarity", "source_label": "tofogliflozin", "target_label": "gemcitabine", "cosine_similarity": 0.3805607855319977 } }, { "source": "CID:9797857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "AR-C133057XX-fumonisin-b1 similarity", "source_label": "AR-C133057XX", "target_label": "fumonisin-b1", "cosine_similarity": 0.6010947227478027 } }, { "source": "CID:9223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "benzofuran-FTI-276 similarity", "source_label": "benzofuran", "target_label": "FTI-276", "cosine_similarity": 0.3629815876483917 } }, { "source": "CID:5475158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "cinanserin-TUL-XX025TFA similarity", "source_label": "cinanserin", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2520588636398315 } }, { "source": "CID:54666593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666596", "properties": { "id": "SA-1920687-SA-1920453 similarity", "source_label": "SA-1920687", "target_label": "SA-1920453", "cosine_similarity": 0.2576113045215606 } }, { "source": "CID:9926791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "tofacitinib-tetrahydrouridine similarity", "source_label": "tofacitinib", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6577567458152771 } }, { "source": "CID:23919667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "DY-44-TUL-XX025TFA similarity", "source_label": "DY-44", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3042008280754089 } }, { "source": "CID:73707421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "ascorbic-acid-dienestrol similarity", "source_label": "ascorbic-acid", "target_label": "dienestrol", "cosine_similarity": 0.2507005035877228 } }, { "source": "CID:766949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "JNK-IN-5A-paclitaxel similarity", "source_label": "JNK-IN-5A", "target_label": "paclitaxel", "cosine_similarity": 0.7663595676422119 } }, { "source": "CID:42890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "idarubicin-topotecan similarity", "source_label": "idarubicin", "target_label": "topotecan", "cosine_similarity": 0.7601781487464905 } }, { "source": "CID:3357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5794", "properties": { "id": "fleroxacin-piperonyl-butoxide similarity", "source_label": "fleroxacin", "target_label": "piperonyl-butoxide", "cosine_similarity": 0.1884286254644394 } }, { "source": "CID:51358113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914946", "properties": { "id": "torin-2-GSK-2126458 similarity", "source_label": "torin-2", "target_label": "GSK-2126458", "cosine_similarity": 0.7118517756462097 } }, { "source": "CID:54654560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "SA-1473468-phenoxazine similarity", "source_label": "SA-1473468", "target_label": "phenoxazine", "cosine_similarity": 0.2975808084011078 } }, { "source": "CID:639665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "xanthohumol-EMF-sumo1-11 similarity", "source_label": "xanthohumol", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.4622040390968323 } }, { "source": "CID:1979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "aceclidine-fumonisin-b1 similarity", "source_label": "aceclidine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2530232667922973 } }, { "source": "CID:151289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "evodiamine-YK-4279 similarity", "source_label": "evodiamine", "target_label": "YK-4279", "cosine_similarity": 0.464450478553772 } }, { "source": "CID:71490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759359", "properties": { "id": "fenpiverinium-SQ-29548 similarity", "source_label": "fenpiverinium", "target_label": "SQ-29548", "cosine_similarity": 0.2391754537820816 } }, { "source": "CID:3579902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "KU-C103874-rilmenidine similarity", "source_label": "KU-C103874", "target_label": "rilmenidine", "cosine_similarity": 0.3523772656917572 } }, { "source": "CID:44607586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11338033", "properties": { "id": "KU-C104135-AT-7519 similarity", "source_label": "KU-C104135", "target_label": "AT-7519", "cosine_similarity": 0.298816978931427 } }, { "source": "CID:227112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843648", "properties": { "id": "reichstein-NPK76-II-72-1 similarity", "source_label": "reichstein", "target_label": "NPK76-II-72-1", "cosine_similarity": 0.2157693952322006 } }, { "source": "CID:54666571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "SA-1921867-dasatinib similarity", "source_label": "SA-1921867", "target_label": "dasatinib", "cosine_similarity": 0.3122256994247436 } }, { "source": "CID:3689415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "K784-3187-K784-3131 similarity", "source_label": "K784-3187", "target_label": "K784-3131", "cosine_similarity": 0.9026772975921632 } }, { "source": "CID:132496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "FGIN-1-27-NSC-23766 similarity", "source_label": "FGIN-1-27", "target_label": "NSC-23766", "cosine_similarity": 0.3519360721111297 } }, { "source": "CID:160020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "tetrindole-amiodarone similarity", "source_label": "tetrindole", "target_label": "amiodarone", "cosine_similarity": 0.4685771465301513 } }, { "source": "CID:2448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1241", "properties": { "id": "bromperidol-SKF-77434 similarity", "source_label": "bromperidol", "target_label": "SKF-77434", "cosine_similarity": 0.203041210770607 } }, { "source": "CID:135659046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747776", "properties": { "id": "salermide-CHEMBL-399379 similarity", "source_label": "salermide", "target_label": "CHEMBL-399379", "cosine_similarity": 0.5492507815361023 } }, { "source": "CID:5702135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "strychnine-fumonisin-b1 similarity", "source_label": "strychnine", "target_label": "fumonisin-b1", "cosine_similarity": 0.3131147027015686 } }, { "source": "CID:6610350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "SB-203580-VX-745 similarity", "source_label": "SB-203580", "target_label": "VX-745", "cosine_similarity": 0.5576012134552002 } }, { "source": "CID:65663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "aloxistatin-labetalol similarity", "source_label": "aloxistatin", "target_label": "labetalol", "cosine_similarity": 0.1929524391889572 } }, { "source": "CID:2818982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "KM-00519SC-UB-165 similarity", "source_label": "KM-00519SC", "target_label": "UB-165", "cosine_similarity": 0.3853827118873596 } }, { "source": "CID:2540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126688", "properties": { "id": "candesartan-cilextil-amthamine similarity", "source_label": "candesartan-cilextil", "target_label": "amthamine", "cosine_similarity": 0.2711245417594909 } }, { "source": "CID:6018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "tetrabenazine-tafamidis-meglumine similarity", "source_label": "tetrabenazine", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.2413240820169448 } }, { "source": "CID:9926832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9223", "properties": { "id": "mavoglurant-benzofuran similarity", "source_label": "mavoglurant", "target_label": "benzofuran", "cosine_similarity": 0.1447390168905258 } }, { "source": "CID:3423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "FPL-64176-T-0156 similarity", "source_label": "FPL-64176", "target_label": "T-0156", "cosine_similarity": 0.3467943072319031 } }, { "source": "CID:5191289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259137", "properties": { "id": "Ro-60-0175-VU-0415011 similarity", "source_label": "Ro-60-0175", "target_label": "VU-0415011", "cosine_similarity": 0.2530626952648163 } }, { "source": "CID:45115609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "VU-0414833-2-CAM-9-021 similarity", "source_label": "VU-0414833-2", "target_label": "CAM-9-021", "cosine_similarity": 0.2705523669719696 } }, { "source": "CID:1716436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "JMW-MITF1-methylene-blue similarity", "source_label": "JMW-MITF1", "target_label": "methylene-blue", "cosine_similarity": 0.2972504198551178 } }, { "source": "CID:25105715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "CAY-10594-tamoxifen similarity", "source_label": "CAY-10594", "target_label": "tamoxifen", "cosine_similarity": 0.7629026174545288 } }, { "source": "CID:39147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "nadolol-LY-255283 similarity", "source_label": "nadolol", "target_label": "LY-255283", "cosine_similarity": 0.3586992621421814 } }, { "source": "CID:6018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4507", "properties": { "id": "tetrabenazine-nitrendipine similarity", "source_label": "tetrabenazine", "target_label": "nitrendipine", "cosine_similarity": 0.2535487115383148 } }, { "source": "CID:11957615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610313", "properties": { "id": "lisuride-ryanodine similarity", "source_label": "lisuride", "target_label": "ryanodine", "cosine_similarity": 0.242575392127037 } }, { "source": "CID:135409468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "desmethylclozapine-sertraline similarity", "source_label": "desmethylclozapine", "target_label": "sertraline", "cosine_similarity": 0.4425432085990906 } }, { "source": "CID:3919910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "tubaic-acid-MW-STK33-4C similarity", "source_label": "tubaic-acid", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2525776624679565 } }, { "source": "CID:22416272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "KU-C103868-RG-108 similarity", "source_label": "KU-C103868", "target_label": "RG-108", "cosine_similarity": 0.2607671320438385 } }, { "source": "CID:72344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71414", "properties": { "id": "nobiletin-diflorasone similarity", "source_label": "nobiletin", "target_label": "diflorasone", "cosine_similarity": 0.211456298828125 } }, { "source": "CID:6604887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "Ro-25-6981-enrofloxacin similarity", "source_label": "Ro-25-6981", "target_label": "enrofloxacin", "cosine_similarity": 0.2386924773454666 } }, { "source": "CID:2392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11570626", "properties": { "id": "pibenzimol-MK-0893 similarity", "source_label": "pibenzimol", "target_label": "MK-0893", "cosine_similarity": 0.3776537477970123 } }, { "source": "CID:6918184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "Y-27152-acetazolamide similarity", "source_label": "Y-27152", "target_label": "acetazolamide", "cosine_similarity": 0.4231951236724853 } }, { "source": "CID:11998575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "palomid-529-sumatriptan similarity", "source_label": "palomid-529", "target_label": "sumatriptan", "cosine_similarity": 0.4306723177433014 } }, { "source": "CID:5281004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "budesonide-beclomethasone-dipropionate similarity", "source_label": "budesonide", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.5089737772941589 } }, { "source": "CID:709391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448013", "properties": { "id": "MW-STK33-2A-epothilone similarity", "source_label": "MW-STK33-2A", "target_label": "epothilone", "cosine_similarity": 0.3682412505149841 } }, { "source": "CID:36273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "mecillinam-myricetin similarity", "source_label": "mecillinam", "target_label": "myricetin", "cosine_similarity": 0.2323319315910339 } }, { "source": "CID:5436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "thiamylal-indinavir similarity", "source_label": "thiamylal", "target_label": "indinavir", "cosine_similarity": 0.2559301853179931 } }, { "source": "CID:42008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3516", "properties": { "id": "cefmetazole-guaifenesin similarity", "source_label": "cefmetazole", "target_label": "guaifenesin", "cosine_similarity": 0.200617104768753 } }, { "source": "CID:71414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "diflorasone-betamethasone similarity", "source_label": "diflorasone", "target_label": "betamethasone", "cosine_similarity": 0.3619899451732635 } }, { "source": "CID:73707419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "chromomycin-a3-dactinomycin similarity", "source_label": "chromomycin-a3", "target_label": "dactinomycin", "cosine_similarity": 0.7938079237937927 } }, { "source": "CID:2392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "pibenzimol-ripasudil similarity", "source_label": "pibenzimol", "target_label": "ripasudil", "cosine_similarity": 0.3266114592552185 } }, { "source": "CID:443278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12387471", "properties": { "id": "pifithrin-KUC111774N similarity", "source_label": "pifithrin", "target_label": "KUC111774N", "cosine_similarity": 0.2104507684707641 } }, { "source": "CID:4928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2815801", "properties": { "id": "prometon-HTS-11203SC similarity", "source_label": "prometon", "target_label": "HTS-11203SC", "cosine_similarity": 0.240686759352684 } }, { "source": "CID:54841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "atomoxetine-fexofenadine similarity", "source_label": "atomoxetine", "target_label": "fexofenadine", "cosine_similarity": 0.307536244392395 } }, { "source": "CID:4935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "proxymetacaine-XAV-939 similarity", "source_label": "proxymetacaine", "target_label": "XAV-939", "cosine_similarity": 0.3294210135936737 } }, { "source": "CID:148201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "tariquidar-salmeterol similarity", "source_label": "tariquidar", "target_label": "salmeterol", "cosine_similarity": 0.2629194259643554 } }, { "source": "CID:107838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "noreleagnine-NSC-23766 similarity", "source_label": "noreleagnine", "target_label": "NSC-23766", "cosine_similarity": 0.3253514468669891 } }, { "source": "CID:3272524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "NBQX-pentoxifylline similarity", "source_label": "NBQX", "target_label": "pentoxifylline", "cosine_similarity": 0.2431669682264328 } }, { "source": "CID:44507307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658205", "properties": { "id": "SA-247654-SA-1456102 similarity", "source_label": "SA-247654", "target_label": "SA-1456102", "cosine_similarity": 0.2474716752767563 } }, { "source": "CID:73602827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "THZ-1-CGP-60474 similarity", "source_label": "THZ-1", "target_label": "CGP-60474", "cosine_similarity": 0.3503970205783844 } }, { "source": "CID:5593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "tropicamide-bucladesine similarity", "source_label": "tropicamide", "target_label": "bucladesine", "cosine_similarity": 0.2980466783046722 } }, { "source": "CID:4309557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "tetramethyl-haematoxylone-PRIMA1 similarity", "source_label": "tetramethyl-haematoxylone", "target_label": "PRIMA1", "cosine_similarity": 0.2642205357551574 } }, { "source": "CID:72430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "MDL-28170-XAV-939 similarity", "source_label": "MDL-28170", "target_label": "XAV-939", "cosine_similarity": 0.4241121411323547 } }, { "source": "CID:9907323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "cutamesine-perindopril similarity", "source_label": "cutamesine", "target_label": "perindopril", "cosine_similarity": 0.2531207799911499 } }, { "source": "CID:9795278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "PNU-282987-chloroquine similarity", "source_label": "PNU-282987", "target_label": "chloroquine", "cosine_similarity": 0.2622535526752472 } }, { "source": "CID:90488984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "I-CBP112-VX-745 similarity", "source_label": "I-CBP112", "target_label": "VX-745", "cosine_similarity": 0.1943778842687606 } }, { "source": "CID:4994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "pyrithyldione-sulfanitran similarity", "source_label": "pyrithyldione", "target_label": "sulfanitran", "cosine_similarity": 0.2675617635250091 } }, { "source": "CID:5626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "U-99194-rolipram similarity", "source_label": "U-99194", "target_label": "rolipram", "cosine_similarity": 0.3012258112430572 } }, { "source": "CID:3035842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "immepip-RU-24969 similarity", "source_label": "immepip", "target_label": "RU-24969", "cosine_similarity": 0.323215514421463 } }, { "source": "CID:6103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "zoxazolamine-tretinoin similarity", "source_label": "zoxazolamine", "target_label": "tretinoin", "cosine_similarity": 0.2464702576398849 } }, { "source": "CID:44493394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707408", "properties": { "id": "SA-90377-megestrol similarity", "source_label": "SA-90377", "target_label": "megestrol", "cosine_similarity": 0.2382079064846038 } }, { "source": "CID:23789069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448991", "properties": { "id": "nitrarine-purvalanol-b similarity", "source_label": "nitrarine", "target_label": "purvalanol-b", "cosine_similarity": 0.2967444658279419 } }, { "source": "CID:3456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "GBR-12935-MM77 similarity", "source_label": "GBR-12935", "target_label": "MM77", "cosine_similarity": 0.190198540687561 } }, { "source": "CID:91769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "zolantidine-vandetanib similarity", "source_label": "zolantidine", "target_label": "vandetanib", "cosine_similarity": 0.3149588704109192 } }, { "source": "CID:2335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "benzethonium-bithionol similarity", "source_label": "benzethonium", "target_label": "bithionol", "cosine_similarity": 0.6252565383911133 } }, { "source": "CID:3385203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:438981", "properties": { "id": "GTP-14564-NSC-693868 similarity", "source_label": "GTP-14564", "target_label": "NSC-693868", "cosine_similarity": 0.2150214314460754 } }, { "source": "CID:54614981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-426799-SA-103013 similarity", "source_label": "SA-426799", "target_label": "SA-103013", "cosine_similarity": 0.1960544437170028 } }, { "source": "CID:5153532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1021-BG-1032 similarity", "source_label": "BG-1021", "target_label": "BG-1032", "cosine_similarity": 0.3229997456073761 } }, { "source": "CID:135565635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "PP-242-GSK-1059615 similarity", "source_label": "PP-242", "target_label": "GSK-1059615", "cosine_similarity": 0.3960567414760589 } }, { "source": "CID:44483885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-244237-SA-89763 similarity", "source_label": "SA-244237", "target_label": "SA-89763", "cosine_similarity": 0.2928248643875122 } }, { "source": "CID:438981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "NSC-693868-DAC-012 similarity", "source_label": "NSC-693868", "target_label": "DAC-012", "cosine_similarity": 0.3290060758590698 } }, { "source": "CID:4445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "rhodomyrtoxin-FCCP similarity", "source_label": "rhodomyrtoxin", "target_label": "FCCP", "cosine_similarity": 0.3772068321704864 } }, { "source": "CID:11095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54677407", "properties": { "id": "eriodictyol-robustic-acid similarity", "source_label": "eriodictyol", "target_label": "robustic-acid", "cosine_similarity": 0.2976217865943908 } }, { "source": "CID:3387354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135399748", "properties": { "id": "SB-218078-CHIR-124 similarity", "source_label": "SB-218078", "target_label": "CHIR-124", "cosine_similarity": 0.6328902840614319 } }, { "source": "CID:54614219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660617", "properties": { "id": "SA-441092-SA-1457458 similarity", "source_label": "SA-441092", "target_label": "SA-1457458", "cosine_similarity": 0.320487231016159 } }, { "source": "CID:3078519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "7-hydroxystaurosporine-perphenazine similarity", "source_label": "7-hydroxystaurosporine", "target_label": "perphenazine", "cosine_similarity": 0.3920198082923889 } }, { "source": "CID:122173063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "GSK-J2-gliclazide similarity", "source_label": "GSK-J2", "target_label": "gliclazide", "cosine_similarity": 0.7060672044754028 } }, { "source": "CID:154575236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "tribenoside-artesunate similarity", "source_label": "tribenoside", "target_label": "artesunate", "cosine_similarity": 0.1912219226360321 } }, { "source": "CID:27447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "cephalexin-tetrahydrouridine similarity", "source_label": "cephalexin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.2564428150653839 } }, { "source": "CID:44246715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3741", "properties": { "id": "metacycline-ioversol similarity", "source_label": "metacycline", "target_label": "ioversol", "cosine_similarity": 0.2216724008321762 } }, { "source": "CID:5803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "tiratricol-metacetamol similarity", "source_label": "tiratricol", "target_label": "metacetamol", "cosine_similarity": 0.3155387938022613 } }, { "source": "CID:3894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2755", "properties": { "id": "lavendustin-a-cimaterol similarity", "source_label": "lavendustin-a", "target_label": "cimaterol", "cosine_similarity": 0.2223329991102218 } }, { "source": "CID:6710659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "fludrocortisone-acetate-dexamethasone similarity", "source_label": "fludrocortisone-acetate", "target_label": "dexamethasone", "cosine_similarity": 0.37120121717453 } }, { "source": "CID:16667686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "ajmaline-gramine similarity", "source_label": "ajmaline", "target_label": "gramine", "cosine_similarity": 0.6169624924659729 } }, { "source": "CID:44483303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "gelsemine-naloxone similarity", "source_label": "gelsemine", "target_label": "naloxone", "cosine_similarity": 0.2738558650016784 } }, { "source": "CID:444795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "tretinoin-tamibarotene similarity", "source_label": "tretinoin", "target_label": "tamibarotene", "cosine_similarity": 0.5252888798713684 } }, { "source": "CID:2141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "amifostine-CGS-20625 similarity", "source_label": "amifostine", "target_label": "CGS-20625", "cosine_similarity": 0.3609861135482788 } }, { "source": "CID:2088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5319", "properties": { "id": "alendronic-acid-sulfabenzamide similarity", "source_label": "alendronic-acid", "target_label": "sulfabenzamide", "cosine_similarity": 0.2062460780143737 } }, { "source": "CID:8378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "neomycin-ripasudil similarity", "source_label": "neomycin", "target_label": "ripasudil", "cosine_similarity": 0.1730704307556152 } }, { "source": "CID:3337816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2803", "properties": { "id": "CCMQ-clonidine similarity", "source_label": "CCMQ", "target_label": "clonidine", "cosine_similarity": 0.264362633228302 } }, { "source": "CID:54657711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SA-1456751-SA-1458689 similarity", "source_label": "SA-1456751", "target_label": "SA-1458689", "cosine_similarity": 0.3000541031360626 } }, { "source": "CID:54660070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "SA-1456734-MW-MITF22 similarity", "source_label": "SA-1456734", "target_label": "MW-MITF22", "cosine_similarity": 0.3203878104686737 } }, { "source": "CID:54666597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20393", "properties": { "id": "SA-1920890-monoethylhexylphthalate similarity", "source_label": "SA-1920890", "target_label": "monoethylhexylphthalate", "cosine_similarity": 0.2075434476137161 } }, { "source": "CID:60785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "fananserin-phenoxazine similarity", "source_label": "fananserin", "target_label": "phenoxazine", "cosine_similarity": 0.3287668526172638 } }, { "source": "CID:5287969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "alvocidib-PIK-75 similarity", "source_label": "alvocidib", "target_label": "PIK-75", "cosine_similarity": 0.859281599521637 } }, { "source": "CID:11949652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "teneligliptin-CV-1808 similarity", "source_label": "teneligliptin", "target_label": "CV-1808", "cosine_similarity": 0.4095058143138885 } }, { "source": "CID:2120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "alrestatin-PF-04217903 similarity", "source_label": "alrestatin", "target_label": "PF-04217903", "cosine_similarity": 0.238911896944046 } }, { "source": "CID:44628955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707544", "properties": { "id": "foxy-5-BG-1027 similarity", "source_label": "foxy-5", "target_label": "BG-1027", "cosine_similarity": 0.2162584364414215 } }, { "source": "CID:73707473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281707", "properties": { "id": "ribostamycin-coumestrol similarity", "source_label": "ribostamycin", "target_label": "coumestrol", "cosine_similarity": 0.2769568264484405 } }, { "source": "CID:5819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "levothyroxine-rifabutin similarity", "source_label": "levothyroxine", "target_label": "rifabutin", "cosine_similarity": 0.4364067018032074 } }, { "source": "CID:9801969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "EO-1428-PP-2 similarity", "source_label": "EO-1428", "target_label": "PP-2", "cosine_similarity": 0.296764999628067 } }, { "source": "CID:23748533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "ML-3163-PIK-90 similarity", "source_label": "ML-3163", "target_label": "PIK-90", "cosine_similarity": 0.2442781031131744 } }, { "source": "CID:442424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "genipin-herniarin similarity", "source_label": "genipin", "target_label": "herniarin", "cosine_similarity": 0.3156226575374603 } }, { "source": "CID:5429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "theobromine-nateglinide similarity", "source_label": "theobromine", "target_label": "nateglinide", "cosine_similarity": 0.5279129147529602 } }, { "source": "CID:44485323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "SA-86418-MW-STK33-4C similarity", "source_label": "SA-86418", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2433993518352508 } }, { "source": "CID:4412255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "CP-55940-GR-127935 similarity", "source_label": "CP-55940", "target_label": "GR-127935", "cosine_similarity": 0.261335164308548 } }, { "source": "CID:3194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918305", "properties": { "id": "ebselen-ganaxolone similarity", "source_label": "ebselen", "target_label": "ganaxolone", "cosine_similarity": 0.3101375997066498 } }, { "source": "CID:49843318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "SD-6-035-A11-KU-0063794 similarity", "source_label": "SD-6-035-A11", "target_label": "KU-0063794", "cosine_similarity": 0.2981789410114288 } }, { "source": "CID:51038269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "GZD-824-erlotinib similarity", "source_label": "GZD-824", "target_label": "erlotinib", "cosine_similarity": 0.4866512417793274 } }, { "source": "CID:9908992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "RS-79948-gossypin similarity", "source_label": "RS-79948", "target_label": "gossypin", "cosine_similarity": 0.2644875347614288 } }, { "source": "CID:667484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "etomidate-iguratimod similarity", "source_label": "etomidate", "target_label": "iguratimod", "cosine_similarity": 0.4377885460853576 } }, { "source": "CID:129010004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "tebipenem-diphenylpyraline similarity", "source_label": "tebipenem", "target_label": "diphenylpyraline", "cosine_similarity": 0.3982018530368805 } }, { "source": "CID:44498587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "SA-425500-SA-1973507 similarity", "source_label": "SA-425500", "target_label": "SA-1973507", "cosine_similarity": 0.5266596674919128 } }, { "source": "CID:5497136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "ceramide-YK-4279 similarity", "source_label": "ceramide", "target_label": "YK-4279", "cosine_similarity": 0.2136043906211853 } }, { "source": "CID:414684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707600", "properties": { "id": "ephedrine-APEC similarity", "source_label": "ephedrine", "target_label": "APEC", "cosine_similarity": 0.2441799938678741 } }, { "source": "CID:73010922", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707546", "properties": { "id": "ischemin-garcinol similarity", "source_label": "ischemin", "target_label": "garcinol", "cosine_similarity": 0.3987928032875061 } }, { "source": "CID:6604889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "SB-269970-dictamnine similarity", "source_label": "SB-269970", "target_label": "dictamnine", "cosine_similarity": 0.3462895452976227 } }, { "source": "CID:2882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "cromoglicic-acid-SB-683698 similarity", "source_label": "cromoglicic-acid", "target_label": "SB-683698", "cosine_similarity": 0.3796853125095367 } }, { "source": "CID:46199646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121928", "properties": { "id": "VX-661-amiprilose similarity", "source_label": "VX-661", "target_label": "amiprilose", "cosine_similarity": 0.3119153380393982 } }, { "source": "CID:54668530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3585", "properties": { "id": "SA-1920722-hemicholinium-3 similarity", "source_label": "SA-1920722", "target_label": "hemicholinium-3", "cosine_similarity": 0.3399278223514557 } }, { "source": "CID:44137675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "AZD-6482-taselisib similarity", "source_label": "AZD-6482", "target_label": "taselisib", "cosine_similarity": 0.6684277653694153 } }, { "source": "CID:44607591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "KU-C104142-quercetin similarity", "source_label": "KU-C104142", "target_label": "quercetin", "cosine_similarity": 0.3081822395324707 } }, { "source": "CID:73707378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "triacsin-c-GW-9662 similarity", "source_label": "triacsin-c", "target_label": "GW-9662", "cosine_similarity": 0.4332422316074371 } }, { "source": "CID:2351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71277", "properties": { "id": "bepridil-erythromycin-estolate similarity", "source_label": "bepridil", "target_label": "erythromycin-estolate", "cosine_similarity": 0.3570932745933532 } }, { "source": "CID:2736690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50287", "properties": { "id": "IBC-293-tiotidine similarity", "source_label": "IBC-293", "target_label": "tiotidine", "cosine_similarity": 0.270781010389328 } }, { "source": "CID:42633508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15983966", "properties": { "id": "VU-0238429-GSK-461364 similarity", "source_label": "VU-0238429", "target_label": "GSK-461364", "cosine_similarity": 0.4398927390575409 } }, { "source": "CID:54653980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2415", "properties": { "id": "SA-1472321-BML-190 similarity", "source_label": "SA-1472321", "target_label": "BML-190", "cosine_similarity": 0.2335485965013504 } }, { "source": "CID:3038525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "VX-745-SB-239063 similarity", "source_label": "VX-745", "target_label": "SB-239063", "cosine_similarity": 0.5778414011001587 } }, { "source": "CID:3220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "emodin-RAF-265 similarity", "source_label": "emodin", "target_label": "RAF-265", "cosine_similarity": 0.3203842341899872 } }, { "source": "CID:3899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "leflunomide-sirolimus similarity", "source_label": "leflunomide", "target_label": "sirolimus", "cosine_similarity": 0.3217856287956238 } }, { "source": "CID:68911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "artemether-parecoxib similarity", "source_label": "artemether", "target_label": "parecoxib", "cosine_similarity": 0.2809560894966125 } }, { "source": "CID:448013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "epothilone-docetaxel similarity", "source_label": "epothilone", "target_label": "docetaxel", "cosine_similarity": 0.7592512965202332 } }, { "source": "CID:5419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "tetryzoline-S-isopropylisothiourea similarity", "source_label": "tetryzoline", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.2782631814479828 } }, { "source": "CID:4364841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281087", "properties": { "id": "L-165041-oxantel similarity", "source_label": "L-165041", "target_label": "oxantel", "cosine_similarity": 0.2487779408693313 } }, { "source": "CID:54657710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "SA-1456508-darinaparsin similarity", "source_label": "SA-1456508", "target_label": "darinaparsin", "cosine_similarity": 0.3032498955726623 } }, { "source": "CID:5756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "estriol-aspirin similarity", "source_label": "estriol", "target_label": "aspirin", "cosine_similarity": 0.3860196471214294 } }, { "source": "CID:73707357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10050129", "properties": { "id": "mebhydrolin-demeclocycline similarity", "source_label": "mebhydrolin", "target_label": "demeclocycline", "cosine_similarity": 0.2403617352247238 } }, { "source": "CID:4485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "nifedipine-kenpaullone similarity", "source_label": "nifedipine", "target_label": "kenpaullone", "cosine_similarity": 0.4419319331645965 } }, { "source": "CID:123767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "norketamine-ARG-TC-41 similarity", "source_label": "norketamine", "target_label": "ARG-TC-41", "cosine_similarity": 0.2911626100540161 } }, { "source": "CID:3503044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68071", "properties": { "id": "dihydroobliquin-pinocembrin similarity", "source_label": "dihydroobliquin", "target_label": "pinocembrin", "cosine_similarity": 0.251967191696167 } }, { "source": "CID:73707380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "fumonisin-b1-ASN-05257430 similarity", "source_label": "fumonisin-b1", "target_label": "ASN-05257430", "cosine_similarity": 0.6114124655723572 } }, { "source": "CID:3168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "droperidol-RG-108 similarity", "source_label": "droperidol", "target_label": "RG-108", "cosine_similarity": 0.2778860330581665 } }, { "source": "CID:101616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "lobeline-anethole similarity", "source_label": "lobeline", "target_label": "anethole", "cosine_similarity": 0.2686646580696106 } }, { "source": "CID:4065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "meprylcaine-Gossypetin similarity", "source_label": "meprylcaine", "target_label": "Gossypetin", "cosine_similarity": 0.3206475973129272 } }, { "source": "CID:47811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "pergolide-JZL-184 similarity", "source_label": "pergolide", "target_label": "JZL-184", "cosine_similarity": 0.28768190741539 } }, { "source": "CID:56654642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "RG-2833-entinostat similarity", "source_label": "RG-2833", "target_label": "entinostat", "cosine_similarity": 0.4385182559490204 } }, { "source": "CID:6610268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "berbamine-GR-127935 similarity", "source_label": "berbamine", "target_label": "GR-127935", "cosine_similarity": 0.5727797150611877 } }, { "source": "CID:42618298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1030-BG-1003 similarity", "source_label": "BG-1030", "target_label": "BG-1003", "cosine_similarity": 0.495433509349823 } }, { "source": "CID:4687238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "L-693403-doramapimod similarity", "source_label": "L-693403", "target_label": "doramapimod", "cosine_similarity": 0.211495354771614 } }, { "source": "CID:15984937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "camicinal-SB-683698 similarity", "source_label": "camicinal", "target_label": "SB-683698", "cosine_similarity": 0.5248024463653564 } }, { "source": "CID:9982218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "NTNCB-sertraline similarity", "source_label": "NTNCB", "target_label": "sertraline", "cosine_similarity": 0.6678452491760254 } }, { "source": "CID:11749858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "PCI-24781-scriptaid similarity", "source_label": "PCI-24781", "target_label": "scriptaid", "cosine_similarity": 0.8190389275550842 } }, { "source": "CID:3033637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "nizatidine-APO-866 similarity", "source_label": "nizatidine", "target_label": "APO-866", "cosine_similarity": 0.3702345490455627 } }, { "source": "CID:2160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "amitriptyline-CAY-10594 similarity", "source_label": "amitriptyline", "target_label": "CAY-10594", "cosine_similarity": 0.6800691485404968 } }, { "source": "CID:44510971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "brucine-XAV-939 similarity", "source_label": "brucine", "target_label": "XAV-939", "cosine_similarity": 0.3196176886558532 } }, { "source": "CID:16666708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "AZD-8330-trametinib similarity", "source_label": "AZD-8330", "target_label": "trametinib", "cosine_similarity": 0.8794669508934021 } }, { "source": "CID:121892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "retigabine-GDC-0199 similarity", "source_label": "retigabine", "target_label": "GDC-0199", "cosine_similarity": 0.2607435584068298 } }, { "source": "CID:54676535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "scandenin-lenalidomide similarity", "source_label": "scandenin", "target_label": "lenalidomide", "cosine_similarity": 0.2189269512891769 } }, { "source": "CID:119376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "GR-113808-idelalisib similarity", "source_label": "GR-113808", "target_label": "idelalisib", "cosine_similarity": 0.4213253855705261 } }, { "source": "CID:11201035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "PHTPP-ifosfamide similarity", "source_label": "PHTPP", "target_label": "ifosfamide", "cosine_similarity": 0.2927080690860748 } }, { "source": "CID:9841834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "istaroxime-dideoxyadenosine similarity", "source_label": "istaroxime", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3461219370365143 } }, { "source": "CID:54658632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-1456977-SA-85148 similarity", "source_label": "SA-1456977", "target_label": "SA-85148", "cosine_similarity": 0.3196954429149627 } }, { "source": "CID:54666568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "SA-1919584-PD-198306 similarity", "source_label": "SA-1919584", "target_label": "PD-198306", "cosine_similarity": 0.2525615096092224 } }, { "source": "CID:5368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "T-0156-dienestrol similarity", "source_label": "T-0156", "target_label": "dienestrol", "cosine_similarity": 0.5473178625106812 } }, { "source": "CID:64971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "betulinic-acid-lorazepam similarity", "source_label": "betulinic-acid", "target_label": "lorazepam", "cosine_similarity": 0.3618530929088592 } }, { "source": "CID:5353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34633", "properties": { "id": "sulmazole-moracizine similarity", "source_label": "sulmazole", "target_label": "moracizine", "cosine_similarity": 0.3136491179466247 } }, { "source": "CID:492405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "favipiravir-sumatriptan similarity", "source_label": "favipiravir", "target_label": "sumatriptan", "cosine_similarity": 0.3498669862747192 } }, { "source": "CID:45115609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666569", "properties": { "id": "VU-0414833-2-SA-1920013 similarity", "source_label": "VU-0414833-2", "target_label": "SA-1920013", "cosine_similarity": 0.2116185575723648 } }, { "source": "CID:16061509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "bavisant-rilmenidine similarity", "source_label": "bavisant", "target_label": "rilmenidine", "cosine_similarity": 0.3646530210971832 } }, { "source": "CID:5288209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "fenretinide-EMF-bca1-16 similarity", "source_label": "fenretinide", "target_label": "EMF-bca1-16", "cosine_similarity": 0.5611773729324341 } }, { "source": "CID:4632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "oxybenzone-chlorpyrifos similarity", "source_label": "oxybenzone", "target_label": "chlorpyrifos", "cosine_similarity": 0.4114505052566528 } }, { "source": "CID:9867812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2907", "properties": { "id": "remimazolam-cyclophosphamide similarity", "source_label": "remimazolam", "target_label": "cyclophosphamide", "cosine_similarity": 0.1738506257534027 } }, { "source": "CID:16222096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "cobimetinib-Ro-4987655 similarity", "source_label": "cobimetinib", "target_label": "Ro-4987655", "cosine_similarity": 0.7523508667945862 } }, { "source": "CID:5291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "imatinib-tandutinib similarity", "source_label": "imatinib", "target_label": "tandutinib", "cosine_similarity": 0.4374190866947174 } }, { "source": "CID:6166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4020", "properties": { "id": "desoxycortone-mazindol similarity", "source_label": "desoxycortone", "target_label": "mazindol", "cosine_similarity": 0.2269032150506973 } }, { "source": "CID:44251605", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "LY-2811376-metamizole similarity", "source_label": "LY-2811376", "target_label": "metamizole", "cosine_similarity": 0.3364302217960357 } }, { "source": "CID:46239015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978790", "properties": { "id": "SCH-900776-BGT-226 similarity", "source_label": "SCH-900776", "target_label": "BGT-226", "cosine_similarity": 0.2905262112617492 } }, { "source": "CID:107867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "otenzepad-TUL-XXI039 similarity", "source_label": "otenzepad", "target_label": "TUL-XXI039", "cosine_similarity": 0.2064926326274871 } }, { "source": "CID:4350931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "LE-300-KU-C103428N similarity", "source_label": "LE-300", "target_label": "KU-C103428N", "cosine_similarity": 0.2669796049594879 } }, { "source": "CID:10202642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:447966", "properties": { "id": "GW-788388-LY-364947 similarity", "source_label": "GW-788388", "target_label": "LY-364947", "cosine_similarity": 0.3556239604949951 } }, { "source": "CID:3035746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "iodophenpropit-dichlorobenzamil similarity", "source_label": "iodophenpropit", "target_label": "dichlorobenzamil", "cosine_similarity": 0.4857843220233917 } }, { "source": "CID:54666569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "SA-1920013-GSK-1059615 similarity", "source_label": "SA-1920013", "target_label": "GSK-1059615", "cosine_similarity": 0.274562120437622 } }, { "source": "CID:54671008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "raltegravir-diphenylpyraline similarity", "source_label": "raltegravir", "target_label": "diphenylpyraline", "cosine_similarity": 0.3946544528007507 } }, { "source": "CID:2082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "albendazole-nocodazole similarity", "source_label": "albendazole", "target_label": "nocodazole", "cosine_similarity": 0.6300294399261475 } }, { "source": "CID:1225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:86101", "properties": { "id": "SKF-82958-epidepride similarity", "source_label": "SKF-82958", "target_label": "epidepride", "cosine_similarity": 0.258481502532959 } }, { "source": "CID:3739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4935", "properties": { "id": "adipiodone-proxymetacaine similarity", "source_label": "adipiodone", "target_label": "proxymetacaine", "cosine_similarity": 0.2880398631095886 } }, { "source": "CID:12387471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "KUC111774N-COL-3 similarity", "source_label": "KUC111774N", "target_label": "COL-3", "cosine_similarity": 0.5715401768684387 } }, { "source": "CID:54658844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658965", "properties": { "id": "SA-1457992-SA-1456352 similarity", "source_label": "SA-1457992", "target_label": "SA-1456352", "cosine_similarity": 0.2222298383712768 } }, { "source": "CID:833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "L-citrulline-cefepime similarity", "source_label": "L-citrulline", "target_label": "cefepime", "cosine_similarity": 0.4710598289966583 } }, { "source": "CID:44507291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9949641", "properties": { "id": "SA-247615-NPI-2358 similarity", "source_label": "SA-247615", "target_label": "NPI-2358", "cosine_similarity": 0.3250456154346466 } }, { "source": "CID:44516953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "PF-05212384-MLN-0128 similarity", "source_label": "PF-05212384", "target_label": "MLN-0128", "cosine_similarity": 0.6306639313697815 } }, { "source": "CID:5720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3371", "properties": { "id": "zaltoprofen-flufenamic-acid similarity", "source_label": "zaltoprofen", "target_label": "flufenamic-acid", "cosine_similarity": 0.2054878175258636 } }, { "source": "CID:6714003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443944", "properties": { "id": "cyproterone-metrizamide similarity", "source_label": "cyproterone", "target_label": "metrizamide", "cosine_similarity": 0.2212016284465789 } }, { "source": "CID:73707364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "I-212148-myricetin similarity", "source_label": "I-212148", "target_label": "myricetin", "cosine_similarity": 0.3189229071140289 } }, { "source": "CID:42617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "clavulanic-acid-tirasemtiv similarity", "source_label": "clavulanic-acid", "target_label": "tirasemtiv", "cosine_similarity": 0.2275475710630417 } }, { "source": "CID:3579925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "PHCCC-cyclizine similarity", "source_label": "PHCCC", "target_label": "cyclizine", "cosine_similarity": 0.2628462016582489 } }, { "source": "CID:40532410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:114811", "properties": { "id": "chlormadinone-florfenicol similarity", "source_label": "chlormadinone", "target_label": "florfenicol", "cosine_similarity": 0.2236973345279693 } }, { "source": "CID:6918852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "R-547-JNJ-7706621 similarity", "source_label": "R-547", "target_label": "JNJ-7706621", "cosine_similarity": 0.5791082382202148 } }, { "source": "CID:2858523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483329", "properties": { "id": "CHEMBL-374350-malonoben similarity", "source_label": "CHEMBL-374350", "target_label": "malonoben", "cosine_similarity": 0.6667683124542236 } }, { "source": "CID:3921152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "D-64131-dolastatin-10 similarity", "source_label": "D-64131", "target_label": "dolastatin-10", "cosine_similarity": 0.8022472858428955 } }, { "source": "CID:11382492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "CMPD-1-RJC-00245SC similarity", "source_label": "CMPD-1", "target_label": "RJC-00245SC", "cosine_similarity": 0.4809280335903168 } }, { "source": "CID:9834591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "LY-2140023-parbendazole similarity", "source_label": "LY-2140023", "target_label": "parbendazole", "cosine_similarity": 0.4255642592906952 } }, { "source": "CID:3406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "fomepizole-oxiconazole similarity", "source_label": "fomepizole", "target_label": "oxiconazole", "cosine_similarity": 0.4406359195709228 } }, { "source": "CID:101616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "lobeline-morin similarity", "source_label": "lobeline", "target_label": "morin", "cosine_similarity": 0.2889573872089386 } }, { "source": "CID:44139710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "KIN-001-220-BI-2536 similarity", "source_label": "KIN-001-220", "target_label": "BI-2536", "cosine_similarity": 0.3691305518150329 } }, { "source": "CID:9836739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "PNU-74654-ZM-336372 similarity", "source_label": "PNU-74654", "target_label": "ZM-336372", "cosine_similarity": 0.4372051358222961 } }, { "source": "CID:460747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:906542", "properties": { "id": "STK-397047-STK-249718 similarity", "source_label": "STK-397047", "target_label": "STK-249718", "cosine_similarity": 0.6961347460746765 } }, { "source": "CID:135400439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "KF-38789-vinblastine similarity", "source_label": "KF-38789", "target_label": "vinblastine", "cosine_similarity": 0.6251683235168457 } }, { "source": "CID:44507299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192328", "properties": { "id": "SA-247636-SA-1938756 similarity", "source_label": "SA-247636", "target_label": "SA-1938756", "cosine_similarity": 0.3136387467384338 } }, { "source": "CID:5310993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3277", "properties": { "id": "acipimox-etazolate similarity", "source_label": "acipimox", "target_label": "etazolate", "cosine_similarity": 0.2901973128318786 } }, { "source": "CID:6604794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2208391", "properties": { "id": "RS-16566-BJM-HSC2-10 similarity", "source_label": "RS-16566", "target_label": "BJM-HSC2-10", "cosine_similarity": 0.2279685139656067 } }, { "source": "CID:150311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "ezetimibe-CGP-71683 similarity", "source_label": "ezetimibe", "target_label": "CGP-71683", "cosine_similarity": 0.4829670190811157 } }, { "source": "CID:11238823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "azilsartan-medoxomil-niclosamide similarity", "source_label": "azilsartan-medoxomil", "target_label": "niclosamide", "cosine_similarity": 0.2401151061058044 } }, { "source": "CID:1727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "dalfampridine-cholic-acid similarity", "source_label": "dalfampridine", "target_label": "cholic-acid", "cosine_similarity": 0.4185089766979217 } }, { "source": "CID:3074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5352062", "properties": { "id": "dilazep-romidepsin similarity", "source_label": "dilazep", "target_label": "romidepsin", "cosine_similarity": 0.2956387102603912 } }, { "source": "CID:54660558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "SA-1456625-SA-1455822 similarity", "source_label": "SA-1456625", "target_label": "SA-1455822", "cosine_similarity": 0.463658720254898 } }, { "source": "CID:23725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "psoromic-acid-ajmaline similarity", "source_label": "psoromic-acid", "target_label": "ajmaline", "cosine_similarity": 0.2362057864665985 } }, { "source": "CID:54666790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54617432", "properties": { "id": "SA-1919918-SA-424380 similarity", "source_label": "SA-1919918", "target_label": "SA-424380", "cosine_similarity": 0.4514689445495605 } }, { "source": "CID:71781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "MDL-11939-JAS07-006 similarity", "source_label": "MDL-11939", "target_label": "JAS07-006", "cosine_similarity": 0.3611879050731659 } }, { "source": "CID:228398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "L-theanine-meloxicam similarity", "source_label": "L-theanine", "target_label": "meloxicam", "cosine_similarity": 0.1629750430583953 } }, { "source": "CID:11234052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "brivanib-ruxolitinib similarity", "source_label": "brivanib", "target_label": "ruxolitinib", "cosine_similarity": 0.486173152923584 } }, { "source": "CID:119584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604789", "properties": { "id": "mosapride-RS-56812 similarity", "source_label": "mosapride", "target_label": "RS-56812", "cosine_similarity": 0.3898108899593353 } }, { "source": "CID:2040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "afloqualone-aliskiren similarity", "source_label": "afloqualone", "target_label": "aliskiren", "cosine_similarity": 0.3331226408481598 } }, { "source": "CID:9592990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "BAS-00535043-BIBU-1361 similarity", "source_label": "BAS-00535043", "target_label": "BIBU-1361", "cosine_similarity": 0.5910194516181946 } }, { "source": "CID:2151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "ampyrone-ST-022313 similarity", "source_label": "ampyrone", "target_label": "ST-022313", "cosine_similarity": 0.1522719115018844 } }, { "source": "CID:44483259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "manumycin-a-MD-II-051 similarity", "source_label": "manumycin-a", "target_label": "MD-II-051", "cosine_similarity": 0.7351052165031433 } }, { "source": "CID:54654330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "SA-1463814-SA-101776 similarity", "source_label": "SA-1463814", "target_label": "SA-101776", "cosine_similarity": 0.2124576717615127 } }, { "source": "CID:60193939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666597", "properties": { "id": "SA-1939915-SA-1920890 similarity", "source_label": "SA-1939915", "target_label": "SA-1920890", "cosine_similarity": 0.2758376896381378 } }, { "source": "CID:3182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "dyphylline-thalidomide similarity", "source_label": "dyphylline", "target_label": "thalidomide", "cosine_similarity": 0.2469056397676468 } }, { "source": "CID:56962337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "SGC-0946-LGK-974 similarity", "source_label": "SGC-0946", "target_label": "LGK-974", "cosine_similarity": 0.4841147661209106 } }, { "source": "CID:121878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "Y-26763-palovarotene similarity", "source_label": "Y-26763", "target_label": "palovarotene", "cosine_similarity": 0.4443841576576233 } }, { "source": "CID:6708584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10251", "properties": { "id": "isogedunin-flavanone similarity", "source_label": "isogedunin", "target_label": "flavanone", "cosine_similarity": 0.2884525060653686 } }, { "source": "CID:21100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "metanephrine-cyclothiazide similarity", "source_label": "metanephrine", "target_label": "cyclothiazide", "cosine_similarity": 0.2462775260210037 } }, { "source": "CID:2119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2712", "properties": { "id": "alprenolol-chlordiazepoxide similarity", "source_label": "alprenolol", "target_label": "chlordiazepoxide", "cosine_similarity": 0.2077708840370178 } }, { "source": "CID:23948194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "PATI-1-2-3-T-5345967 similarity", "source_label": "PATI-1-2-3", "target_label": "T-5345967", "cosine_similarity": 0.2889846563339233 } }, { "source": "CID:2743956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5132514", "properties": { "id": "SPB02137-L-690488 similarity", "source_label": "SPB02137", "target_label": "L-690488", "cosine_similarity": 0.3219938278198242 } }, { "source": "CID:897475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "ARG-CSC-81-gliclazide similarity", "source_label": "ARG-CSC-81", "target_label": "gliclazide", "cosine_similarity": 0.4701814651489258 } }, { "source": "CID:23760135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34772", "properties": { "id": "ungerine-BE-2254 similarity", "source_label": "ungerine", "target_label": "BE-2254", "cosine_similarity": 0.2203789055347442 } }, { "source": "CID:5311454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "stiripentol-chlorpropamide similarity", "source_label": "stiripentol", "target_label": "chlorpropamide", "cosine_similarity": 0.2182417660951614 } }, { "source": "CID:5452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "thioridazine-trifluoperazine similarity", "source_label": "thioridazine", "target_label": "trifluoperazine", "cosine_similarity": 0.7709812521934509 } }, { "source": "CID:25154868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "PF-750-Ro-28-1675 similarity", "source_label": "PF-750", "target_label": "Ro-28-1675", "cosine_similarity": 0.4588060677051544 } }, { "source": "CID:19003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "ciclacillin-PT-630 similarity", "source_label": "ciclacillin", "target_label": "PT-630", "cosine_similarity": 0.3300902247428894 } }, { "source": "CID:11538455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918837", "properties": { "id": "JNJ-26481585-panobinostat similarity", "source_label": "JNJ-26481585", "target_label": "panobinostat", "cosine_similarity": 0.9138470888137816 } }, { "source": "CID:2878746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "STK-064652-FTI-276 similarity", "source_label": "STK-064652", "target_label": "FTI-276", "cosine_similarity": 0.3503507971763611 } }, { "source": "CID:176157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "NBI-27914-ASN-05257430 similarity", "source_label": "NBI-27914", "target_label": "ASN-05257430", "cosine_similarity": 0.2812208533287048 } }, { "source": "CID:44483270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "ouabain-bufalin similarity", "source_label": "ouabain", "target_label": "bufalin", "cosine_similarity": 0.9049561619758606 } }, { "source": "CID:25025298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441314", "properties": { "id": "telotristat-miglitol similarity", "source_label": "telotristat", "target_label": "miglitol", "cosine_similarity": 0.312583178281784 } }, { "source": "CID:4494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "nilvadipine-perzinfotel similarity", "source_label": "nilvadipine", "target_label": "perzinfotel", "cosine_similarity": 0.4195802509784698 } }, { "source": "CID:44473132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "KU-C103676-carbon-tetrachloride similarity", "source_label": "KU-C103676", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.2575869858264923 } }, { "source": "CID:5361092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44295709", "properties": { "id": "butorphanol-(+)-tartrate-RTI-55 similarity", "source_label": "butorphanol-(+)-tartrate", "target_label": "RTI-55", "cosine_similarity": 0.1656650304794311 } }, { "source": "CID:2990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "dephostatin-cefotaxime similarity", "source_label": "dephostatin", "target_label": "cefotaxime", "cosine_similarity": 0.2880502939224243 } }, { "source": "CID:54657730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "SA-1458450-SA-441350 similarity", "source_label": "SA-1458450", "target_label": "SA-441350", "cosine_similarity": 0.2768725156784057 } }, { "source": "CID:4992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "mepyramine-mirtazapine similarity", "source_label": "mepyramine", "target_label": "mirtazapine", "cosine_similarity": 0.3920125663280487 } }, { "source": "CID:68508601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "PT-630-FTI-276 similarity", "source_label": "PT-630", "target_label": "FTI-276", "cosine_similarity": 0.5886031985282898 } }, { "source": "CID:6918409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "CO-101244-T-0156 similarity", "source_label": "CO-101244", "target_label": "T-0156", "cosine_similarity": 0.4754462838172912 } }, { "source": "CID:9932888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610353", "properties": { "id": "lestaurtinib-staurosporine similarity", "source_label": "lestaurtinib", "target_label": "staurosporine", "cosine_similarity": 0.512030839920044 } }, { "source": "CID:4306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132846", "properties": { "id": "W-9-L-733060 similarity", "source_label": "W-9", "target_label": "L-733060", "cosine_similarity": 0.3003180921077728 } }, { "source": "CID:441383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:941650", "properties": { "id": "terconazole-thiothixene similarity", "source_label": "terconazole", "target_label": "thiothixene", "cosine_similarity": 0.3839664459228515 } }, { "source": "CID:4831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "pipemidic-acid-3-CPMT similarity", "source_label": "pipemidic-acid", "target_label": "3-CPMT", "cosine_similarity": 0.26588174700737 } }, { "source": "CID:4207396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2818982", "properties": { "id": "ST-014147-KM-00519SC similarity", "source_label": "ST-014147", "target_label": "KM-00519SC", "cosine_similarity": 0.2993830740451813 } }, { "source": "CID:54657737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "SA-1457769-EMF-sumo1-11 similarity", "source_label": "SA-1457769", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.2247377187013626 } }, { "source": "CID:2933863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "KU-C103875-temozolomide similarity", "source_label": "KU-C103875", "target_label": "temozolomide", "cosine_similarity": 0.2407809793949127 } }, { "source": "CID:9927531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "BIBR-1532-PLX-4720 similarity", "source_label": "BIBR-1532", "target_label": "PLX-4720", "cosine_similarity": 0.3764099776744842 } }, { "source": "CID:3827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "ketotifen-venlafaxine similarity", "source_label": "ketotifen", "target_label": "venlafaxine", "cosine_similarity": 0.3768662810325622 } }, { "source": "CID:2837663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "foliosidine-naloxone similarity", "source_label": "foliosidine", "target_label": "naloxone", "cosine_similarity": 0.2888842523097992 } }, { "source": "CID:153005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "tyramine-gabexate similarity", "source_label": "tyramine", "target_label": "gabexate", "cosine_similarity": 0.1989475339651107 } }, { "source": "CID:46926360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "PF-04620110-felodipine similarity", "source_label": "PF-04620110", "target_label": "felodipine", "cosine_similarity": 0.5538089871406555 } }, { "source": "CID:44630541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "KU-C104253-actarit similarity", "source_label": "KU-C104253", "target_label": "actarit", "cosine_similarity": 0.2351598441600799 } }, { "source": "CID:2733529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "baccatin-III-parbendazole similarity", "source_label": "baccatin-III", "target_label": "parbendazole", "cosine_similarity": 0.317240446805954 } }, { "source": "CID:2369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "betaxolol-phenoxazine similarity", "source_label": "betaxolol", "target_label": "phenoxazine", "cosine_similarity": 0.3108306527137756 } }, { "source": "CID:5186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "scriptaid-ISOX similarity", "source_label": "scriptaid", "target_label": "ISOX", "cosine_similarity": 0.8292171955108643 } }, { "source": "CID:5350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "sulforaphane-cerulenin similarity", "source_label": "sulforaphane", "target_label": "cerulenin", "cosine_similarity": 0.6162845492362976 } }, { "source": "CID:4712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "PD-169316-rilmenidine similarity", "source_label": "PD-169316", "target_label": "rilmenidine", "cosine_similarity": 0.3549236953258514 } }, { "source": "CID:2930014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "K-858-paclitaxel similarity", "source_label": "K-858", "target_label": "paclitaxel", "cosine_similarity": 0.5995982885360718 } }, { "source": "CID:5312531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "mead-acid-carbon-tetrachloride similarity", "source_label": "mead-acid", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.2768310904502868 } }, { "source": "CID:107905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "epicatechin-amikacin similarity", "source_label": "epicatechin", "target_label": "amikacin", "cosine_similarity": 0.4501369893550873 } }, { "source": "CID:2551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "carbachol-mCPP similarity", "source_label": "carbachol", "target_label": "mCPP", "cosine_similarity": 0.3396526277065277 } }, { "source": "CID:73707349", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "BG-1003-HC-toxin similarity", "source_label": "BG-1003", "target_label": "HC-toxin", "cosine_similarity": 0.6928523182868958 } }, { "source": "CID:33613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2680", "properties": { "id": "amoxicillin-cetraxate similarity", "source_label": "amoxicillin", "target_label": "cetraxate", "cosine_similarity": 0.2088378518819809 } }, { "source": "CID:5281643", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "hyperoside-gliclazide similarity", "source_label": "hyperoside", "target_label": "gliclazide", "cosine_similarity": 0.1591300666332245 } }, { "source": "CID:3936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "liranaftate-imiloxan similarity", "source_label": "liranaftate", "target_label": "imiloxan", "cosine_similarity": 0.4901497364044189 } }, { "source": "CID:5281614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "fisetin-cephalothin similarity", "source_label": "fisetin", "target_label": "cephalothin", "cosine_similarity": 0.4570868611335754 } }, { "source": "CID:5362116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:190901", "properties": { "id": "delapril-N-MPPP similarity", "source_label": "delapril", "target_label": "N-MPPP", "cosine_similarity": 0.3588563203811645 } }, { "source": "CID:3906780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44386188", "properties": { "id": "NNC-63-0532-3-deazaadenosine similarity", "source_label": "NNC-63-0532", "target_label": "3-deazaadenosine", "cosine_similarity": 0.2356149405241012 } }, { "source": "CID:612556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "dihydroptaeroxylin-MW-MITF22 similarity", "source_label": "dihydroptaeroxylin", "target_label": "MW-MITF22", "cosine_similarity": 0.268620491027832 } }, { "source": "CID:5281081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4760", "properties": { "id": "entacapone-phenindione similarity", "source_label": "entacapone", "target_label": "phenindione", "cosine_similarity": 0.1973335444927215 } }, { "source": "CID:25227462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71481097", "properties": { "id": "PF-03758309-KPT-330 similarity", "source_label": "PF-03758309", "target_label": "KPT-330", "cosine_similarity": 0.4602829813957214 } }, { "source": "CID:2477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "buspirone-cefepime similarity", "source_label": "buspirone", "target_label": "cefepime", "cosine_similarity": 0.2677410244941711 } }, { "source": "CID:31101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60663", "properties": { "id": "bromocriptine-mibefradil similarity", "source_label": "bromocriptine", "target_label": "mibefradil", "cosine_similarity": 0.3505025506019592 } }, { "source": "CID:5283393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "arachidonamide-PTB1 similarity", "source_label": "arachidonamide", "target_label": "PTB1", "cosine_similarity": 0.3029058873653412 } }, { "source": "CID:155982217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "monensin-NNC-55-0396 similarity", "source_label": "monensin", "target_label": "NNC-55-0396", "cosine_similarity": 0.2832038402557373 } }, { "source": "CID:2415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6127", "properties": { "id": "BML-190-diphemanil similarity", "source_label": "BML-190", "target_label": "diphemanil", "cosine_similarity": 0.258231908082962 } }, { "source": "CID:73707420", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1206243", "properties": { "id": "EI-247-mirin similarity", "source_label": "EI-247", "target_label": "mirin", "cosine_similarity": 0.3452045321464538 } }, { "source": "CID:5282593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "homatropine-epicatechin similarity", "source_label": "homatropine", "target_label": "epicatechin", "cosine_similarity": 0.2858591377735138 } }, { "source": "CID:5904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "benzylpenicillin-orphenadrine similarity", "source_label": "benzylpenicillin", "target_label": "orphenadrine", "cosine_similarity": 0.3482942879199981 } }, { "source": "CID:54385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "levocabastine-azathioprine similarity", "source_label": "levocabastine", "target_label": "azathioprine", "cosine_similarity": 0.3945521116256714 } }, { "source": "CID:448799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448013", "properties": { "id": "epothilone-a-epothilone similarity", "source_label": "epothilone-a", "target_label": "epothilone", "cosine_similarity": 0.5863699913024902 } }, { "source": "CID:4289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "Ro-16-6941-FTI-276 similarity", "source_label": "Ro-16-6941", "target_label": "FTI-276", "cosine_similarity": 0.2709914147853851 } }, { "source": "CID:5702036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "dexamethasone-acetate-halcinonide similarity", "source_label": "dexamethasone-acetate", "target_label": "halcinonide", "cosine_similarity": 0.5909385085105896 } }, { "source": "CID:3042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132059", "properties": { "id": "dicycloverine-L-694247 similarity", "source_label": "dicycloverine", "target_label": "L-694247", "cosine_similarity": 0.2435463964939117 } }, { "source": "CID:5362119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "lisinopril-phenylbutyrate similarity", "source_label": "lisinopril", "target_label": "phenylbutyrate", "cosine_similarity": 0.4783389866352081 } }, { "source": "CID:5281847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "rottlerin-I-070759 similarity", "source_label": "rottlerin", "target_label": "I-070759", "cosine_similarity": 0.5810189843177795 } }, { "source": "CID:219078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "lacosamide-REV-5901 similarity", "source_label": "lacosamide", "target_label": "REV-5901", "cosine_similarity": 0.4888418912887573 } }, { "source": "CID:23947601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "cinobufagin-bufalin similarity", "source_label": "cinobufagin", "target_label": "bufalin", "cosine_similarity": 0.8473522663116455 } }, { "source": "CID:24086306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "I-070759-CGP-71683 similarity", "source_label": "I-070759", "target_label": "CGP-71683", "cosine_similarity": 0.6882929801940918 } }, { "source": "CID:4883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5756", "properties": { "id": "practolol-estriol similarity", "source_label": "practolol", "target_label": "estriol", "cosine_similarity": 0.2924102544784546 } }, { "source": "CID:362328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4628", "properties": { "id": "NSC-625987-oxolinic-acid similarity", "source_label": "NSC-625987", "target_label": "oxolinic-acid", "cosine_similarity": 0.3796009123325348 } }, { "source": "CID:2895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "cyclobenzaprine-SR-33805 similarity", "source_label": "cyclobenzaprine", "target_label": "SR-33805", "cosine_similarity": 0.4243680834770202 } }, { "source": "CID:4533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "nor-binaltorphimine-DAC-009 similarity", "source_label": "nor-binaltorphimine", "target_label": "DAC-009", "cosine_similarity": 0.234448492527008 } }, { "source": "CID:15548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "laudanosine-zebularine similarity", "source_label": "laudanosine", "target_label": "zebularine", "cosine_similarity": 0.2694721817970276 } }, { "source": "CID:2819993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "P-5091-withaferin-a similarity", "source_label": "P-5091", "target_label": "withaferin-a", "cosine_similarity": 0.3695566952228546 } }, { "source": "CID:5225092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "westcort-hydrocortisone similarity", "source_label": "westcort", "target_label": "hydrocortisone", "cosine_similarity": 0.2195464521646499 } }, { "source": "CID:44602404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640175", "properties": { "id": "KU-C104133-KU-C104487 similarity", "source_label": "KU-C104133", "target_label": "KU-C104487", "cosine_similarity": 0.2535698711872101 } }, { "source": "CID:175805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8421", "properties": { "id": "ropivacaine-homoveratrylamine similarity", "source_label": "ropivacaine", "target_label": "homoveratrylamine", "cosine_similarity": 0.2434859871864318 } }, { "source": "CID:9795867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65599", "properties": { "id": "LFM-A12-lomifylline similarity", "source_label": "LFM-A12", "target_label": "lomifylline", "cosine_similarity": 0.2995120882987976 } }, { "source": "CID:704473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "STF-62247-CAY-10594 similarity", "source_label": "STF-62247", "target_label": "CAY-10594", "cosine_similarity": 0.318377822637558 } }, { "source": "CID:4915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "procarbazine-minoxidil similarity", "source_label": "procarbazine", "target_label": "minoxidil", "cosine_similarity": 0.2775691449642181 } }, { "source": "CID:5702068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "hydrocortisone-acetate-dubinidine similarity", "source_label": "hydrocortisone-acetate", "target_label": "dubinidine", "cosine_similarity": 0.4931499063968658 } }, { "source": "CID:446156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "cerivastatin-RS-17053 similarity", "source_label": "cerivastatin", "target_label": "RS-17053", "cosine_similarity": 0.4590288400650024 } }, { "source": "CID:104956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "SKF-96365-docetaxel similarity", "source_label": "SKF-96365", "target_label": "docetaxel", "cosine_similarity": 0.6449901461601257 } }, { "source": "CID:9886498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "HU-211-FCCP similarity", "source_label": "HU-211", "target_label": "FCCP", "cosine_similarity": 0.364754319190979 } }, { "source": "CID:9884685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "PI-103-AZD-8055 similarity", "source_label": "PI-103", "target_label": "AZD-8055", "cosine_similarity": 0.8466425538063049 } }, { "source": "CID:105007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "FPL-55712-aliskiren similarity", "source_label": "FPL-55712", "target_label": "aliskiren", "cosine_similarity": 0.3758283853530884 } }, { "source": "CID:448912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "aloisine-AZD-5438 similarity", "source_label": "aloisine", "target_label": "AZD-5438", "cosine_similarity": 0.3954513370990753 } }, { "source": "CID:9820766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "PD-160170-GP-42 similarity", "source_label": "PD-160170", "target_label": "GP-42", "cosine_similarity": 0.3959172368049621 } }, { "source": "CID:278679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "cephalotaxine-3-CPMT similarity", "source_label": "cephalotaxine", "target_label": "3-CPMT", "cosine_similarity": 0.3265848159790039 } }, { "source": "CID:5225086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "ingenol-ALW-II-49-7 similarity", "source_label": "ingenol", "target_label": "ALW-II-49-7", "cosine_similarity": 0.4385628700256347 } }, { "source": "CID:73707544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1027-BG-1003 similarity", "source_label": "BG-1027", "target_label": "BG-1003", "cosine_similarity": 0.4921973347663879 } }, { "source": "CID:151166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "lumiracoxib-T-0156 similarity", "source_label": "lumiracoxib", "target_label": "T-0156", "cosine_similarity": 0.302887499332428 } }, { "source": "CID:54657694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "SA-1460192-COL-3 similarity", "source_label": "SA-1460192", "target_label": "COL-3", "cosine_similarity": 0.3123597502708435 } }, { "source": "CID:49766518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "TL-HRAS-24-K784-3131 similarity", "source_label": "TL-HRAS-24", "target_label": "K784-3131", "cosine_similarity": 0.4388067126274109 } }, { "source": "CID:73010922", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "ischemin-CV-1808 similarity", "source_label": "ischemin", "target_label": "CV-1808", "cosine_similarity": 0.3737333118915558 } }, { "source": "CID:659031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "EMF-sumo1-11-K784-3187 similarity", "source_label": "EMF-sumo1-11", "target_label": "K784-3187", "cosine_similarity": 0.7271844148635864 } }, { "source": "CID:2803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "clonidine-Gossypetin similarity", "source_label": "clonidine", "target_label": "Gossypetin", "cosine_similarity": 0.3888019025325775 } }, { "source": "CID:46843648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "NPK76-II-72-1-iproniazid similarity", "source_label": "NPK76-II-72-1", "target_label": "iproniazid", "cosine_similarity": 0.4354797303676605 } }, { "source": "CID:6708573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "oleanolic-acid-UB-165 similarity", "source_label": "oleanolic-acid", "target_label": "UB-165", "cosine_similarity": 0.2374003678560257 } }, { "source": "CID:161591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "chaetocin-cerulenin similarity", "source_label": "chaetocin", "target_label": "cerulenin", "cosine_similarity": 0.5869144201278687 } }, { "source": "CID:3080836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918509", "properties": { "id": "clonixin-lysinate-BIBN-4096 similarity", "source_label": "clonixin-lysinate", "target_label": "BIBN-4096", "cosine_similarity": 0.2201893776655197 } }, { "source": "CID:9949641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "NPI-2358-dolastatin-10 similarity", "source_label": "NPI-2358", "target_label": "dolastatin-10", "cosine_similarity": 0.5346099734306335 } }, { "source": "CID:16759169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "ACDPP-S-isopropylisothiourea similarity", "source_label": "ACDPP", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.3459484875202179 } }, { "source": "CID:2187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "anastrozole-pregnenolone similarity", "source_label": "anastrozole", "target_label": "pregnenolone", "cosine_similarity": 0.3380829393863678 } }, { "source": "CID:68077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "tangeritin-isradipine similarity", "source_label": "tangeritin", "target_label": "isradipine", "cosine_similarity": 0.2414329797029495 } }, { "source": "CID:40692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "mefloquine-conivaptan similarity", "source_label": "mefloquine", "target_label": "conivaptan", "cosine_similarity": 0.3511922657489776 } }, { "source": "CID:11201705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "ivachtin-prima-1-met similarity", "source_label": "ivachtin", "target_label": "prima-1-met", "cosine_similarity": 0.3440072238445282 } }, { "source": "CID:1983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "paracetamol-acetazolamide similarity", "source_label": "paracetamol", "target_label": "acetazolamide", "cosine_similarity": 0.3621864020824432 } }, { "source": "CID:650919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "ST-4049616-SA-423131 similarity", "source_label": "ST-4049616", "target_label": "SA-423131", "cosine_similarity": 0.348501980304718 } }, { "source": "CID:4926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "promazine-trifluoperazine similarity", "source_label": "promazine", "target_label": "trifluoperazine", "cosine_similarity": 0.5827863216400146 } }, { "source": "CID:108046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "BMY-14802-iguratimod similarity", "source_label": "BMY-14802", "target_label": "iguratimod", "cosine_similarity": 0.5258435010910034 } }, { "source": "CID:2196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "aniracetam-dienestrol similarity", "source_label": "aniracetam", "target_label": "dienestrol", "cosine_similarity": 0.4044697880744934 } }, { "source": "CID:159594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "atrasentan-aclidinium similarity", "source_label": "atrasentan", "target_label": "aclidinium", "cosine_similarity": 0.2706175446510315 } }, { "source": "CID:3114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11326715", "properties": { "id": "disopyramide-ostarine similarity", "source_label": "disopyramide", "target_label": "ostarine", "cosine_similarity": 0.6225060224533081 } }, { "source": "CID:68770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2165", "properties": { "id": "talinolol-amodiaquine similarity", "source_label": "talinolol", "target_label": "amodiaquine", "cosine_similarity": 0.318583071231842 } }, { "source": "CID:442530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "ochratoxin-a-PJ-34 similarity", "source_label": "ochratoxin-a", "target_label": "PJ-34", "cosine_similarity": 0.2848692834377289 } }, { "source": "CID:216345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:58573469", "properties": { "id": "nutlin-3-AMG-232 similarity", "source_label": "nutlin-3", "target_label": "AMG-232", "cosine_similarity": 0.661383330821991 } }, { "source": "CID:32170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "articaine-dropropizine similarity", "source_label": "articaine", "target_label": "dropropizine", "cosine_similarity": 0.2984747588634491 } }, { "source": "CID:3292447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "SB-216641-GR-127935 similarity", "source_label": "SB-216641", "target_label": "GR-127935", "cosine_similarity": 0.56056147813797 } }, { "source": "CID:5280363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "dinoprost-estramustine-phosphate similarity", "source_label": "dinoprost", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4832587838172912 } }, { "source": "CID:5280647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "Gossypetin-zebularine similarity", "source_label": "Gossypetin", "target_label": "zebularine", "cosine_similarity": 0.4849846959114074 } }, { "source": "CID:54657141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "SA-1462678-SA-84512 similarity", "source_label": "SA-1462678", "target_label": "SA-84512", "cosine_similarity": 0.3113197386264801 } }, { "source": "CID:71655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "moroxydine-quercetin similarity", "source_label": "moroxydine", "target_label": "quercetin", "cosine_similarity": 0.2078801989555359 } }, { "source": "CID:6913176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "NXY-059-meclizine similarity", "source_label": "NXY-059", "target_label": "meclizine", "cosine_similarity": 0.4109869301319122 } }, { "source": "CID:135886614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "BG-1018-dubinidine similarity", "source_label": "BG-1018", "target_label": "dubinidine", "cosine_similarity": 0.3171696364879608 } }, { "source": "CID:44603531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "grazoprevir-camicinal similarity", "source_label": "grazoprevir", "target_label": "camicinal", "cosine_similarity": 0.5909014940261841 } }, { "source": "CID:9954280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "nTZDpa-dichlorophen similarity", "source_label": "nTZDpa", "target_label": "dichlorophen", "cosine_similarity": 0.2583155632019043 } }, { "source": "CID:104850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "rimonabant-doxazosin similarity", "source_label": "rimonabant", "target_label": "doxazosin", "cosine_similarity": 0.4030951857566833 } }, { "source": "CID:5191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "SDZ-205-557-chloroxylenol similarity", "source_label": "SDZ-205-557", "target_label": "chloroxylenol", "cosine_similarity": 0.2352192401885986 } }, { "source": "CID:45489447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "VU-0415555-1-artesunate similarity", "source_label": "VU-0415555-1", "target_label": "artesunate", "cosine_similarity": 0.260489821434021 } }, { "source": "CID:23891056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "I-606051-I-606061 similarity", "source_label": "I-606051", "target_label": "I-606061", "cosine_similarity": 0.8102016448974609 } }, { "source": "CID:442428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "naringin-quinethazone similarity", "source_label": "naringin", "target_label": "quinethazone", "cosine_similarity": 0.2808820605278015 } }, { "source": "CID:3442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "fusaric-acid-LY-255283 similarity", "source_label": "fusaric-acid", "target_label": "LY-255283", "cosine_similarity": 0.352580726146698 } }, { "source": "CID:47472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "butoconazole-troglitazone similarity", "source_label": "butoconazole", "target_label": "troglitazone", "cosine_similarity": 0.3111321926116943 } }, { "source": "CID:68591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "toltrazuril-Gly-Gly-PALO similarity", "source_label": "toltrazuril", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2817067503929138 } }, { "source": "CID:44603531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "grazoprevir-danegaptide similarity", "source_label": "grazoprevir", "target_label": "danegaptide", "cosine_similarity": 0.5931045413017273 } }, { "source": "CID:115368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747193", "properties": { "id": "perospirone-JAS07-005 similarity", "source_label": "perospirone", "target_label": "JAS07-005", "cosine_similarity": 0.2196650803089141 } }, { "source": "CID:637863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "S-18986-diphenidol similarity", "source_label": "S-18986", "target_label": "diphenidol", "cosine_similarity": 0.5043255686759949 } }, { "source": "CID:25019940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "MK-3207-iproniazid similarity", "source_label": "MK-3207", "target_label": "iproniazid", "cosine_similarity": 0.4359857439994812 } }, { "source": "CID:5280863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "kaempferol-metacetamol similarity", "source_label": "kaempferol", "target_label": "metacetamol", "cosine_similarity": 0.2934751212596893 } }, { "source": "CID:44483303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "gelsemine-RG-108 similarity", "source_label": "gelsemine", "target_label": "RG-108", "cosine_similarity": 0.3004769682884216 } }, { "source": "CID:441724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "delcorine-naloxone similarity", "source_label": "delcorine", "target_label": "naloxone", "cosine_similarity": 0.2648565471172333 } }, { "source": "CID:3105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "dipivefrine-ML-161 similarity", "source_label": "dipivefrine", "target_label": "ML-161", "cosine_similarity": 0.2885649502277374 } }, { "source": "CID:54666596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "SA-1920453-SA-90024 similarity", "source_label": "SA-1920453", "target_label": "SA-90024", "cosine_similarity": 0.2758113741874695 } }, { "source": "CID:5702090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "naloxone-Gossypetin similarity", "source_label": "naloxone", "target_label": "Gossypetin", "cosine_similarity": 0.4179867506027221 } }, { "source": "CID:4011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "maprotiline-vandetanib similarity", "source_label": "maprotiline", "target_label": "vandetanib", "cosine_similarity": 0.4518639743328094 } }, { "source": "CID:71759907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658632", "properties": { "id": "SA-1939891-SA-1456977 similarity", "source_label": "SA-1939891", "target_label": "SA-1456977", "cosine_similarity": 0.2868766486644745 } }, { "source": "CID:6560164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "azlocillin-dipyrocetyl similarity", "source_label": "azlocillin", "target_label": "dipyrocetyl", "cosine_similarity": 0.2630507051944732 } }, { "source": "CID:11249248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "BMS-299897-tolazamide similarity", "source_label": "BMS-299897", "target_label": "tolazamide", "cosine_similarity": 0.3831326067447662 } }, { "source": "CID:6708600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "sarmentogenin-proscillaridin similarity", "source_label": "sarmentogenin", "target_label": "proscillaridin", "cosine_similarity": 0.7965047955513 } }, { "source": "CID:53377408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "MW-STK33-97-TUL_XIX003 similarity", "source_label": "MW-STK33-97", "target_label": "TUL_XIX003", "cosine_similarity": 0.3777667284011841 } }, { "source": "CID:2531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "calmidazolium-heliomycin similarity", "source_label": "calmidazolium", "target_label": "heliomycin", "cosine_similarity": 0.5892350673675537 } }, { "source": "CID:774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "histamine-S-18986 similarity", "source_label": "histamine", "target_label": "S-18986", "cosine_similarity": 0.5574179291725159 } }, { "source": "CID:6597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "dichloroacetic-acid-sibutramine similarity", "source_label": "dichloroacetic-acid", "target_label": "sibutramine", "cosine_similarity": 0.2943058013916015 } }, { "source": "CID:90843500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23777784", "properties": { "id": "rolitetracycline-UGISS-186 similarity", "source_label": "rolitetracycline", "target_label": "UGISS-186", "cosine_similarity": 0.3121123909950256 } }, { "source": "CID:8215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "AGP-103-bemegride similarity", "source_label": "AGP-103", "target_label": "bemegride", "cosine_similarity": 0.3114183247089386 } }, { "source": "CID:46911863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "JNJ-38877605-sofalcone similarity", "source_label": "JNJ-38877605", "target_label": "sofalcone", "cosine_similarity": 0.4844849109649658 } }, { "source": "CID:60187003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654560", "properties": { "id": "SA-1937536-SA-1473468 similarity", "source_label": "SA-1937536", "target_label": "SA-1473468", "cosine_similarity": 0.2972733080387115 } }, { "source": "CID:4184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "mianserin-thalidomide similarity", "source_label": "mianserin", "target_label": "thalidomide", "cosine_similarity": 0.3114928305149078 } }, { "source": "CID:445713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759169", "properties": { "id": "farnesylpyrophosphate-ACDPP similarity", "source_label": "farnesylpyrophosphate", "target_label": "ACDPP", "cosine_similarity": 0.1891774237155914 } }, { "source": "CID:11598628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "PF-431396-BMS-345541 similarity", "source_label": "PF-431396", "target_label": "BMS-345541", "cosine_similarity": 0.4018540382385254 } }, { "source": "CID:122327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "CI-976-pazopanib similarity", "source_label": "CI-976", "target_label": "pazopanib", "cosine_similarity": 0.3112408220767975 } }, { "source": "CID:13765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "ethylestrenol-enrofloxacin similarity", "source_label": "ethylestrenol", "target_label": "enrofloxacin", "cosine_similarity": 0.292575865983963 } }, { "source": "CID:6603820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "dihydrexidine-Y-27632 similarity", "source_label": "dihydrexidine", "target_label": "Y-27632", "cosine_similarity": 0.2676934599876404 } }, { "source": "CID:46897844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "VU-0420363-1-beclometasone similarity", "source_label": "VU-0420363-1", "target_label": "beclometasone", "cosine_similarity": 0.2472825795412063 } }, { "source": "CID:71234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3494", "properties": { "id": "nicaraven-glycopyrrolate similarity", "source_label": "nicaraven", "target_label": "glycopyrrolate", "cosine_similarity": 0.4021412134170532 } }, { "source": "CID:33613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667717", "properties": { "id": "amoxicillin-alclometasone similarity", "source_label": "amoxicillin", "target_label": "alclometasone", "cosine_similarity": 0.2145222574472427 } }, { "source": "CID:6604926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "SB-334867-gabexate similarity", "source_label": "SB-334867", "target_label": "gabexate", "cosine_similarity": 0.3870193362236023 } }, { "source": "CID:5284329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "purmorphamine-BMS-536924 similarity", "source_label": "purmorphamine", "target_label": "BMS-536924", "cosine_similarity": 0.3515843152999878 } }, { "source": "CID:82146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131682", "properties": { "id": "bexarotene-safinamide similarity", "source_label": "bexarotene", "target_label": "safinamide", "cosine_similarity": 0.3856992423534393 } }, { "source": "CID:71310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "atipamezole-lorcaserin similarity", "source_label": "atipamezole", "target_label": "lorcaserin", "cosine_similarity": 0.3694199323654175 } }, { "source": "CID:51360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "KUC107191N-ITSA-1 similarity", "source_label": "KUC107191N", "target_label": "ITSA-1", "cosine_similarity": 0.3246144354343414 } }, { "source": "CID:5281743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328768", "properties": { "id": "retrorsine-TYRPHOSTIN-46 similarity", "source_label": "retrorsine", "target_label": "TYRPHOSTIN-46", "cosine_similarity": 0.2468783855438232 } }, { "source": "CID:2477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "buspirone-doramapimod similarity", "source_label": "buspirone", "target_label": "doramapimod", "cosine_similarity": 0.2680951654911041 } }, { "source": "CID:10932412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2148", "properties": { "id": "6-nitrodopamine-aminohippuric-acid similarity", "source_label": "6-nitrodopamine", "target_label": "aminohippuric-acid", "cosine_similarity": 0.2458956837654113 } }, { "source": "CID:441029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:146570", "properties": { "id": "fosfomycin-escitalopram similarity", "source_label": "fosfomycin", "target_label": "escitalopram", "cosine_similarity": 0.3258589804172516 } }, { "source": "CID:6918140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "MRE-269-GSK-1059615 similarity", "source_label": "MRE-269", "target_label": "GSK-1059615", "cosine_similarity": 0.2791178822517395 } }, { "source": "CID:188244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10932412", "properties": { "id": "allantoxanamide-6-nitrodopamine similarity", "source_label": "allantoxanamide", "target_label": "6-nitrodopamine", "cosine_similarity": 0.2116651386022567 } }, { "source": "CID:4927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "promethazine-AR-C133057XX similarity", "source_label": "promethazine", "target_label": "AR-C133057XX", "cosine_similarity": 0.3782756328582763 } }, { "source": "CID:604519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "ipidacrine-luliconazole similarity", "source_label": "ipidacrine", "target_label": "luliconazole", "cosine_similarity": 0.1992709338665008 } }, { "source": "CID:16760044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "latrunculin-b-PI-828 similarity", "source_label": "latrunculin-b", "target_label": "PI-828", "cosine_similarity": 0.4659470617771148 } }, { "source": "CID:51695577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4855", "properties": { "id": "melengestrol-piromidic-acid similarity", "source_label": "melengestrol", "target_label": "piromidic-acid", "cosine_similarity": 0.2010591626167297 } }, { "source": "CID:121926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "ZK-93423-COL-3 similarity", "source_label": "ZK-93423", "target_label": "COL-3", "cosine_similarity": 0.4626126587390899 } }, { "source": "CID:3903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "leu-enkephalin-dubinidine similarity", "source_label": "leu-enkephalin", "target_label": "dubinidine", "cosine_similarity": 0.4873456954956054 } }, { "source": "CID:6505803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "tanespimycin-geldanamycin similarity", "source_label": "tanespimycin", "target_label": "geldanamycin", "cosine_similarity": 0.930849313735962 } }, { "source": "CID:3180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34772", "properties": { "id": "dyclonine-BE-2254 similarity", "source_label": "dyclonine", "target_label": "BE-2254", "cosine_similarity": 0.1554456502199173 } }, { "source": "CID:1989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503093", "properties": { "id": "acetohexamide-SA-246522 similarity", "source_label": "acetohexamide", "target_label": "SA-246522", "cosine_similarity": 0.1965082436800003 } }, { "source": "CID:21700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "beclomethasone-dipropionate-dexamethasone similarity", "source_label": "beclomethasone-dipropionate", "target_label": "dexamethasone", "cosine_similarity": 0.6540664434432983 } }, { "source": "CID:9832447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "efatutazone-roquinimex similarity", "source_label": "efatutazone", "target_label": "roquinimex", "cosine_similarity": 0.3667149543762207 } }, { "source": "CID:3278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "etacrynic-acid-aminocaproic-acid similarity", "source_label": "etacrynic-acid", "target_label": "aminocaproic-acid", "cosine_similarity": 0.3128969073295593 } }, { "source": "CID:154257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "bazedoxifene-amiodarone similarity", "source_label": "bazedoxifene", "target_label": "amiodarone", "cosine_similarity": 0.3841375708580017 } }, { "source": "CID:24871506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "RVX-208-JNJ-38877605 similarity", "source_label": "RVX-208", "target_label": "JNJ-38877605", "cosine_similarity": 0.2928490042686462 } }, { "source": "CID:5534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "tremorine-rilmenidine similarity", "source_label": "tremorine", "target_label": "rilmenidine", "cosine_similarity": 0.2900435030460357 } }, { "source": "CID:3103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "diphenylpyraline-roquinimex similarity", "source_label": "diphenylpyraline", "target_label": "roquinimex", "cosine_similarity": 0.4582778513431549 } }, { "source": "CID:31553", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1646", "properties": { "id": "silibinin-tramiprosate similarity", "source_label": "silibinin", "target_label": "tramiprosate", "cosine_similarity": 0.2569411396980285 } }, { "source": "CID:158781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "olmesartan-fumonisin-b1 similarity", "source_label": "olmesartan", "target_label": "fumonisin-b1", "cosine_similarity": 0.2554378807544708 } }, { "source": "CID:54669462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494000", "properties": { "id": "SA-1922796-SA-243423 similarity", "source_label": "SA-1922796", "target_label": "SA-243423", "cosine_similarity": 0.3354316651821136 } }, { "source": "CID:6918140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "MRE-269-BMS-754807 similarity", "source_label": "MRE-269", "target_label": "BMS-754807", "cosine_similarity": 0.2780694663524627 } }, { "source": "CID:36273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51081", "properties": { "id": "mecillinam-pefloxacin similarity", "source_label": "mecillinam", "target_label": "pefloxacin", "cosine_similarity": 0.2383859306573867 } }, { "source": "CID:9824562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "andarine-epirizole similarity", "source_label": "andarine", "target_label": "epirizole", "cosine_similarity": 0.3511401116847992 } }, { "source": "CID:6440033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "temsirolimus-sirolimus similarity", "source_label": "temsirolimus", "target_label": "sirolimus", "cosine_similarity": 0.84207683801651 } }, { "source": "CID:51755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132449", "properties": { "id": "fenticonazole-L-690330 similarity", "source_label": "fenticonazole", "target_label": "L-690330", "cosine_similarity": 0.4272310435771942 } }, { "source": "CID:149096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "levofloxacin-tolcapone similarity", "source_label": "levofloxacin", "target_label": "tolcapone", "cosine_similarity": 0.4647298157215118 } }, { "source": "CID:104865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3969", "properties": { "id": "bosentan-tomelukast similarity", "source_label": "bosentan", "target_label": "tomelukast", "cosine_similarity": 0.414165198802948 } }, { "source": "CID:9882972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "PS-178990-NF-449 similarity", "source_label": "PS-178990", "target_label": "NF-449", "cosine_similarity": 0.3596312701702118 } }, { "source": "CID:73707445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "nicardipine-RG-108 similarity", "source_label": "nicardipine", "target_label": "RG-108", "cosine_similarity": 0.3324061036109924 } }, { "source": "CID:3055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2170", "properties": { "id": "diphenidol-amoxapine similarity", "source_label": "diphenidol", "target_label": "amoxapine", "cosine_similarity": 0.5210089087486267 } }, { "source": "CID:54892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "quinapril-dorzolamide similarity", "source_label": "quinapril", "target_label": "dorzolamide", "cosine_similarity": 0.3986121416091919 } }, { "source": "CID:3463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "gemfibrozil-rotundine similarity", "source_label": "gemfibrozil", "target_label": "rotundine", "cosine_similarity": 0.502392053604126 } }, { "source": "CID:10437018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47510", "properties": { "id": "BMS-599626-lidamidine similarity", "source_label": "BMS-599626", "target_label": "lidamidine", "cosine_similarity": 0.2744737565517425 } }, { "source": "CID:5850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8480", "properties": { "id": "pentolinium-carbarsone similarity", "source_label": "pentolinium", "target_label": "carbarsone", "cosine_similarity": 0.216881975531578 } }, { "source": "CID:9823820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918493", "properties": { "id": "lenvatinib-ambrisentan similarity", "source_label": "lenvatinib", "target_label": "ambrisentan", "cosine_similarity": 0.5214403867721558 } }, { "source": "CID:5273569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "fraxetin-rolipram similarity", "source_label": "fraxetin", "target_label": "rolipram", "cosine_similarity": 0.3097473978996277 } }, { "source": "CID:4260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3494", "properties": { "id": "moxisylyte-glycopyrrolate similarity", "source_label": "moxisylyte", "target_label": "glycopyrrolate", "cosine_similarity": 0.4467655122280121 } }, { "source": "CID:54658402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657738", "properties": { "id": "SA-1458026-SA-1458487 similarity", "source_label": "SA-1458026", "target_label": "SA-1458487", "cosine_similarity": 0.3241690695285797 } }, { "source": "CID:9892554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "EMD-84-NF-449 similarity", "source_label": "EMD-84", "target_label": "NF-449", "cosine_similarity": 0.296532392501831 } }, { "source": "CID:1133083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1013-BML-210 similarity", "source_label": "BG-1013", "target_label": "BML-210", "cosine_similarity": 0.512841522693634 } }, { "source": "CID:16351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "clotiapine-fisetin similarity", "source_label": "clotiapine", "target_label": "fisetin", "cosine_similarity": 0.3225397169589996 } }, { "source": "CID:170344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "etifenin-lenalidomide similarity", "source_label": "etifenin", "target_label": "lenalidomide", "cosine_similarity": 0.2916200160980224 } }, { "source": "CID:15301607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3338", "properties": { "id": "VU-0415012-fenipentol similarity", "source_label": "VU-0415012", "target_label": "fenipentol", "cosine_similarity": 0.1775257885456085 } }, { "source": "CID:44506448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "BG-1004-ISOX similarity", "source_label": "BG-1004", "target_label": "ISOX", "cosine_similarity": 0.5845909118652344 } }, { "source": "CID:1348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "MY-5445-SKI-II similarity", "source_label": "MY-5445", "target_label": "SKI-II", "cosine_similarity": 0.3167888522148132 } }, { "source": "CID:2754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "cilostazol-lorcaserin similarity", "source_label": "cilostazol", "target_label": "lorcaserin", "cosine_similarity": 0.4534029960632324 } }, { "source": "CID:5323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "sulfadimethoxine-piperacillin similarity", "source_label": "sulfadimethoxine", "target_label": "piperacillin", "cosine_similarity": 0.255066454410553 } }, { "source": "CID:6413301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "VLX-600-VU-0418946-1 similarity", "source_label": "VLX-600", "target_label": "VU-0418946-1", "cosine_similarity": 0.6576293110847473 } }, { "source": "CID:46943432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "I-BET-762-I-BET-151 similarity", "source_label": "I-BET-762", "target_label": "I-BET-151", "cosine_similarity": 0.9265797138214112 } }, { "source": "CID:13765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483247", "properties": { "id": "ethylestrenol-prednicarbate similarity", "source_label": "ethylestrenol", "target_label": "prednicarbate", "cosine_similarity": 0.2438518702983856 } }, { "source": "CID:4105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "met-leu-phe-7-nitroindazole similarity", "source_label": "met-leu-phe", "target_label": "7-nitroindazole", "cosine_similarity": 0.2977548837661743 } }, { "source": "CID:135398516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "OSI-027-torin-1 similarity", "source_label": "OSI-027", "target_label": "torin-1", "cosine_similarity": 0.8064727187156677 } }, { "source": "CID:168613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "timolol-phenformin similarity", "source_label": "timolol", "target_label": "phenformin", "cosine_similarity": 0.3693335950374603 } }, { "source": "CID:11096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "pseudopelletierine-MW-MITF28 similarity", "source_label": "pseudopelletierine", "target_label": "MW-MITF28", "cosine_similarity": 0.2776638567447662 } }, { "source": "CID:54680692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3902", "properties": { "id": "phenprocoumon-letrozole similarity", "source_label": "phenprocoumon", "target_label": "letrozole", "cosine_similarity": 0.3643529713153839 } }, { "source": "CID:24768935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "BMS-641988-amisulpride similarity", "source_label": "BMS-641988", "target_label": "amisulpride", "cosine_similarity": 0.5737142562866211 } }, { "source": "CID:3903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "leu-enkephalin-amyleine similarity", "source_label": "leu-enkephalin", "target_label": "amyleine", "cosine_similarity": 0.3980355560779571 } }, { "source": "CID:22094941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "norcitalopram-ST-209453 similarity", "source_label": "norcitalopram", "target_label": "ST-209453", "cosine_similarity": 0.255685418844223 } }, { "source": "CID:3965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "loxoprofen-actarit similarity", "source_label": "loxoprofen", "target_label": "actarit", "cosine_similarity": 0.4523006677627563 } }, { "source": "CID:3310692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31307", "properties": { "id": "leoidin-triamcinolone similarity", "source_label": "leoidin", "target_label": "triamcinolone", "cosine_similarity": 0.2368944138288498 } }, { "source": "CID:54666820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666596", "properties": { "id": "SA-1921996-SA-1920453 similarity", "source_label": "SA-1921996", "target_label": "SA-1920453", "cosine_similarity": 0.2901710271835327 } }, { "source": "CID:5342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "sulfinpyrazone-Gossypetin similarity", "source_label": "sulfinpyrazone", "target_label": "Gossypetin", "cosine_similarity": 0.2472223937511444 } }, { "source": "CID:3219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "emedastine-milnacipran similarity", "source_label": "emedastine", "target_label": "milnacipran", "cosine_similarity": 0.5634778738021851 } }, { "source": "CID:44485243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502756", "properties": { "id": "SA-85290-SA-102695 similarity", "source_label": "SA-85290", "target_label": "SA-102695", "cosine_similarity": 0.2778360247611999 } }, { "source": "CID:135419190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "AG-879-cyclosporin-a similarity", "source_label": "AG-879", "target_label": "cyclosporin-a", "cosine_similarity": 0.6485907435417175 } }, { "source": "CID:23748511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "III606050-terfenadine similarity", "source_label": "III606050", "target_label": "terfenadine", "cosine_similarity": 0.3494270443916321 } }, { "source": "CID:73265271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "LY-2886721-gimeracil similarity", "source_label": "LY-2886721", "target_label": "gimeracil", "cosine_similarity": 0.5506482124328613 } }, { "source": "CID:16759155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2809486", "properties": { "id": "DAU-5884-S-206352 similarity", "source_label": "DAU-5884", "target_label": "S-206352", "cosine_similarity": 0.2965149581432342 } }, { "source": "CID:6481236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "PSI-6130-lersivirine similarity", "source_label": "PSI-6130", "target_label": "lersivirine", "cosine_similarity": 0.5361166596412659 } }, { "source": "CID:70311789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "LGX-818-BI-2536 similarity", "source_label": "LGX-818", "target_label": "BI-2536", "cosine_similarity": 0.6041005253791809 } }, { "source": "CID:24747189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3455", "properties": { "id": "JAS07-004-vanoxerine similarity", "source_label": "JAS07-004", "target_label": "vanoxerine", "cosine_similarity": 0.2169540971517563 } }, { "source": "CID:11238823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "azilsartan-medoxomil-FCCP similarity", "source_label": "azilsartan-medoxomil", "target_label": "FCCP", "cosine_similarity": 0.2405757755041122 } }, { "source": "CID:44601475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "KUC103903N-epicatechin similarity", "source_label": "KUC103903N", "target_label": "epicatechin", "cosine_similarity": 0.3293279707431793 } }, { "source": "CID:42574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "closantel-castanospermine similarity", "source_label": "closantel", "target_label": "castanospermine", "cosine_similarity": 0.3623306155204773 } }, { "source": "CID:1548887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "sulindac-RG-108 similarity", "source_label": "sulindac", "target_label": "RG-108", "cosine_similarity": 0.3005605936050415 } }, { "source": "CID:9910224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "zibotentan-anandamide similarity", "source_label": "zibotentan", "target_label": "anandamide", "cosine_similarity": 0.308859646320343 } }, { "source": "CID:6918314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "vilazodone-aminocaproic-acid similarity", "source_label": "vilazodone", "target_label": "aminocaproic-acid", "cosine_similarity": 0.3960711658000946 } }, { "source": "CID:73707439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "YL-55-nadolol similarity", "source_label": "YL-55", "target_label": "nadolol", "cosine_similarity": 0.2284338176250457 } }, { "source": "CID:4217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "ML-9-sertraline similarity", "source_label": "ML-9", "target_label": "sertraline", "cosine_similarity": 0.3037644028663635 } }, { "source": "CID:2680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6410758", "properties": { "id": "cetraxate-cefatrizine similarity", "source_label": "cetraxate", "target_label": "cefatrizine", "cosine_similarity": 0.3084141314029693 } }, { "source": "CID:40634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2448", "properties": { "id": "trolox-bromperidol similarity", "source_label": "trolox", "target_label": "bromperidol", "cosine_similarity": 0.1949478983879089 } }, { "source": "CID:5132514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "L-690488-PAC-1 similarity", "source_label": "L-690488", "target_label": "PAC-1", "cosine_similarity": 0.3940896987915039 } }, { "source": "CID:49836027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "torin-1-KU-0063794 similarity", "source_label": "torin-1", "target_label": "KU-0063794", "cosine_similarity": 0.8209730386734009 } }, { "source": "CID:27559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1403142", "properties": { "id": "PNU-22394-biochanin-a similarity", "source_label": "PNU-22394", "target_label": "biochanin-a", "cosine_similarity": 0.2974500954151153 } }, { "source": "CID:5748555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "mammea-a-rhodomyrtoxin-b similarity", "source_label": "mammea-a", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.3682708144187927 } }, { "source": "CID:3105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9961192", "properties": { "id": "dipivefrine-L-161982 similarity", "source_label": "dipivefrine", "target_label": "L-161982", "cosine_similarity": 0.2963165938854217 } }, { "source": "CID:172997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "lixivaptan-SGI-1776 similarity", "source_label": "lixivaptan", "target_label": "SGI-1776", "cosine_similarity": 0.3174907565116882 } }, { "source": "CID:10253143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "GW-842166-CV-1808 similarity", "source_label": "GW-842166", "target_label": "CV-1808", "cosine_similarity": 0.3740099966526031 } }, { "source": "CID:5210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "sibutramine-parecoxib similarity", "source_label": "sibutramine", "target_label": "parecoxib", "cosine_similarity": 0.4344523251056671 } }, { "source": "CID:5405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "terfenadine-GR-127935 similarity", "source_label": "terfenadine", "target_label": "GR-127935", "cosine_similarity": 0.7077482342720032 } }, { "source": "CID:70680396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "MW-SHH-28-DAC-012 similarity", "source_label": "MW-SHH-28", "target_label": "DAC-012", "cosine_similarity": 0.2806959152221679 } }, { "source": "CID:4170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "metolazone-probucol similarity", "source_label": "metolazone", "target_label": "probucol", "cosine_similarity": 0.4158764183521271 } }, { "source": "CID:3219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "emedastine-actarit similarity", "source_label": "emedastine", "target_label": "actarit", "cosine_similarity": 0.5375295877456665 } }, { "source": "CID:3488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "glibenclamide-fluoropyruvate similarity", "source_label": "glibenclamide", "target_label": "fluoropyruvate", "cosine_similarity": 0.4525507986545563 } }, { "source": "CID:42760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "olvanil-SA-792709 similarity", "source_label": "olvanil", "target_label": "SA-792709", "cosine_similarity": 0.2747105062007904 } }, { "source": "CID:9865652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4624", "properties": { "id": "IDAM-oxidopamine similarity", "source_label": "IDAM", "target_label": "oxidopamine", "cosine_similarity": 0.2206211686134338 } }, { "source": "CID:54657757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886614", "properties": { "id": "SA-1459008-BG-1018 similarity", "source_label": "SA-1459008", "target_label": "BG-1018", "cosine_similarity": 0.1838544011116027 } }, { "source": "CID:19009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "palmatine-chloride-2-phenylmelatonin similarity", "source_label": "palmatine-chloride", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.4188412427902221 } }, { "source": "CID:51003702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ARG-CSC2-23-Gossypetin similarity", "source_label": "ARG-CSC2-23", "target_label": "Gossypetin", "cosine_similarity": 0.2547720074653625 } }, { "source": "CID:16759359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "SQ-29548-TUL-XX025TFA similarity", "source_label": "SQ-29548", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2667239904403686 } }, { "source": "CID:11655119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10202642", "properties": { "id": "LY-2109761-GW-788388 similarity", "source_label": "LY-2109761", "target_label": "GW-788388", "cosine_similarity": 0.4007301330566406 } }, { "source": "CID:3762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "isoetharine-A-61603 similarity", "source_label": "isoetharine", "target_label": "A-61603", "cosine_similarity": 0.5712332725524902 } }, { "source": "CID:374536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "RITA-camptothecin similarity", "source_label": "RITA", "target_label": "camptothecin", "cosine_similarity": 0.5141509175300598 } }, { "source": "CID:127404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "isamoltane-TUL-XX025TFA similarity", "source_label": "isamoltane", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.306459367275238 } }, { "source": "CID:6597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "dichloroacetic-acid-KU-C104137 similarity", "source_label": "dichloroacetic-acid", "target_label": "KU-C104137", "cosine_similarity": 0.2722170352935791 } }, { "source": "CID:18283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "stavudine-marbofloxacin similarity", "source_label": "stavudine", "target_label": "marbofloxacin", "cosine_similarity": 0.306097149848938 } }, { "source": "CID:2726824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "XAV-939-APO-866 similarity", "source_label": "XAV-939", "target_label": "APO-866", "cosine_similarity": 0.4289284348487854 } }, { "source": "CID:5320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "sulfacetamide-pemoline similarity", "source_label": "sulfacetamide", "target_label": "pemoline", "cosine_similarity": 0.3043352365493774 } }, { "source": "CID:131906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6001", "properties": { "id": "S-14506-DMBA similarity", "source_label": "S-14506", "target_label": "DMBA", "cosine_similarity": 0.2206792533397674 } }, { "source": "CID:73707606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195294", "properties": { "id": "oxetane-LDN-193189 similarity", "source_label": "oxetane", "target_label": "LDN-193189", "cosine_similarity": 0.4116973280906677 } }, { "source": "CID:25154867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "PF-3845-ZM-336372 similarity", "source_label": "PF-3845", "target_label": "ZM-336372", "cosine_similarity": 0.4098129868507385 } }, { "source": "CID:54445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65781", "properties": { "id": "castanospermine-ecabet similarity", "source_label": "castanospermine", "target_label": "ecabet", "cosine_similarity": 0.4869947135448456 } }, { "source": "CID:4436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4296446", "properties": { "id": "naphazoline-VU-0447127-2 similarity", "source_label": "naphazoline", "target_label": "VU-0447127-2", "cosine_similarity": 0.2226044684648513 } }, { "source": "CID:71384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "razoxane-paclitaxel similarity", "source_label": "razoxane", "target_label": "paclitaxel", "cosine_similarity": 0.6182984709739685 } }, { "source": "CID:2900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "cycloheximide-narciclasine similarity", "source_label": "cycloheximide", "target_label": "narciclasine", "cosine_similarity": 0.7790869474411011 } }, { "source": "CID:4946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2788", "properties": { "id": "propranolol-clioquinol similarity", "source_label": "propranolol", "target_label": "clioquinol", "cosine_similarity": 0.3219382762908935 } }, { "source": "CID:57946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "tenidap-linsidomine similarity", "source_label": "tenidap", "target_label": "linsidomine", "cosine_similarity": 0.4048209190368652 } }, { "source": "CID:46901937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "UNC-0321-fumonisin-b1 similarity", "source_label": "UNC-0321", "target_label": "fumonisin-b1", "cosine_similarity": 0.4219226539134979 } }, { "source": "CID:6196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6759", "properties": { "id": "oxacillin-riboflavin similarity", "source_label": "oxacillin", "target_label": "riboflavin", "cosine_similarity": 0.2040537297725677 } }, { "source": "CID:5281437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:393595", "properties": { "id": "costunolide-MRS-1220 similarity", "source_label": "costunolide", "target_label": "MRS-1220", "cosine_similarity": 0.3474403917789459 } }, { "source": "CID:6918540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "dalcetrapib-NSC-23766 similarity", "source_label": "dalcetrapib", "target_label": "NSC-23766", "cosine_similarity": 0.4948484599590301 } }, { "source": "CID:78357816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "VT-464-marbofloxacin similarity", "source_label": "VT-464", "target_label": "marbofloxacin", "cosine_similarity": 0.3849326372146606 } }, { "source": "CID:5467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "tiapride-acifran similarity", "source_label": "tiapride", "target_label": "acifran", "cosine_similarity": 0.4548656046390533 } }, { "source": "CID:65999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60953", "properties": { "id": "telmisartan-capecitabine similarity", "source_label": "telmisartan", "target_label": "capecitabine", "cosine_similarity": 0.3710056245326996 } }, { "source": "CID:9849616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760692", "properties": { "id": "SR-147778-U-0124 similarity", "source_label": "SR-147778", "target_label": "U-0124", "cosine_similarity": 0.2181903421878814 } }, { "source": "CID:54686939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25124826", "properties": { "id": "dihydrorobustic-acid-PSB-06126 similarity", "source_label": "dihydrorobustic-acid", "target_label": "PSB-06126", "cosine_similarity": 0.2890970408916473 } }, { "source": "CID:25195294", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2900", "properties": { "id": "LDN-193189-cycloheximide similarity", "source_label": "LDN-193189", "target_label": "cycloheximide", "cosine_similarity": 0.4332104623317718 } }, { "source": "CID:23727689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "almorexant-VX-222 similarity", "source_label": "almorexant", "target_label": "VX-222", "cosine_similarity": 0.3309556245803833 } }, { "source": "CID:92400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "zofenopril-calcium-topiramate similarity", "source_label": "zofenopril-calcium", "target_label": "topiramate", "cosine_similarity": 0.2840253412723541 } }, { "source": "CID:53245473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "TUL-XXI039-GW-5074 similarity", "source_label": "TUL-XXI039", "target_label": "GW-5074", "cosine_similarity": 0.3691229820251465 } }, { "source": "CID:54669151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666790", "properties": { "id": "SA-1921783-SA-1919918 similarity", "source_label": "SA-1921783", "target_label": "SA-1919918", "cosine_similarity": 0.3282016813755035 } }, { "source": "CID:24747273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "PSH-010-PSH-028 similarity", "source_label": "PSH-010", "target_label": "PSH-028", "cosine_similarity": 0.4637899100780487 } }, { "source": "CID:3121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "valproic-acid-gossypin similarity", "source_label": "valproic-acid", "target_label": "gossypin", "cosine_similarity": 0.3889568150043487 } }, { "source": "CID:300471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "elesclomol-EMF-sumo1-11 similarity", "source_label": "elesclomol", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.4575979709625244 } }, { "source": "CID:4055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "menadione-NSC-663284 similarity", "source_label": "menadione", "target_label": "NSC-663284", "cosine_similarity": 0.4658267199993133 } }, { "source": "CID:17507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081", "properties": { "id": "etamsylate-dimethadione similarity", "source_label": "etamsylate", "target_label": "dimethadione", "cosine_similarity": 0.2636599242687225 } }, { "source": "CID:44607586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109823", "properties": { "id": "KU-C104135-AS-601245 similarity", "source_label": "KU-C104135", "target_label": "AS-601245", "cosine_similarity": 0.3313182890415191 } }, { "source": "CID:2478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "busulfan-acetazolamide similarity", "source_label": "busulfan", "target_label": "acetazolamide", "cosine_similarity": 0.3483692109584808 } }, { "source": "CID:133076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3489614", "properties": { "id": "RS-67506-CGP-54626 similarity", "source_label": "RS-67506", "target_label": "CGP-54626", "cosine_similarity": 0.2494813650846481 } }, { "source": "CID:984170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736529", "properties": { "id": "CCT-018159-BIIB-021 similarity", "source_label": "CCT-018159", "target_label": "BIIB-021", "cosine_similarity": 0.5835047960281372 } }, { "source": "CID:16095342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25062766", "properties": { "id": "GSK-269962-CYT-387 similarity", "source_label": "GSK-269962", "target_label": "CYT-387", "cosine_similarity": 0.3927981257438659 } }, { "source": "CID:4670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "PACOCF3-SA-792709 similarity", "source_label": "PACOCF3", "target_label": "SA-792709", "cosine_similarity": 0.1820458322763443 } }, { "source": "CID:13817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "benzopurpurin-4b-polydatin similarity", "source_label": "benzopurpurin-4b", "target_label": "polydatin", "cosine_similarity": 0.3296928703784942 } }, { "source": "CID:2674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "cercosporin-NSC-663284 similarity", "source_label": "cercosporin", "target_label": "NSC-663284", "cosine_similarity": 0.634818434715271 } }, { "source": "CID:47528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321414", "properties": { "id": "nicorandil-cefpodoxime similarity", "source_label": "nicorandil", "target_label": "cefpodoxime", "cosine_similarity": 0.2225126922130584 } }, { "source": "CID:54655268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654232", "properties": { "id": "SA-1462246-SA-1463785 similarity", "source_label": "SA-1462246", "target_label": "SA-1463785", "cosine_similarity": 0.2936580181121826 } }, { "source": "CID:57335384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "rociletinib-SGI-1776 similarity", "source_label": "rociletinib", "target_label": "SGI-1776", "cosine_similarity": 0.3153408467769623 } }, { "source": "CID:46742354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "VU-0418947-2-VU-0410183-2 similarity", "source_label": "VU-0418947-2", "target_label": "VU-0410183-2", "cosine_similarity": 0.9207344651222228 } }, { "source": "CID:60753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "ibutilide-A-769662 similarity", "source_label": "ibutilide", "target_label": "A-769662", "cosine_similarity": 0.2686379849910736 } }, { "source": "CID:11455910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "TW-37-VU-0418939-2 similarity", "source_label": "TW-37", "target_label": "VU-0418939-2", "cosine_similarity": 0.786262571811676 } }, { "source": "CID:46843648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918409", "properties": { "id": "NPK76-II-72-1-CO-101244 similarity", "source_label": "NPK76-II-72-1", "target_label": "CO-101244", "cosine_similarity": 0.4013704657554626 } }, { "source": "CID:71226662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "acalabrutinib-oxaprozin similarity", "source_label": "acalabrutinib", "target_label": "oxaprozin", "cosine_similarity": 0.2898326814174652 } }, { "source": "CID:668081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "selinidin-dubinidine similarity", "source_label": "selinidin", "target_label": "dubinidine", "cosine_similarity": 0.3856337368488312 } }, { "source": "CID:54669304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "SA-1922927-5-methoxytryptamine similarity", "source_label": "SA-1922927", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.1918388158082962 } }, { "source": "CID:5720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11618368", "properties": { "id": "zaltoprofen-tozadenant similarity", "source_label": "zaltoprofen", "target_label": "tozadenant", "cosine_similarity": 0.2473448067903518 } }, { "source": "CID:155982217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "monensin-rhodomyrtoxin-b similarity", "source_label": "monensin", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.2994701266288757 } }, { "source": "CID:72326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "NSC-4644-pyrazinoylguanidine similarity", "source_label": "NSC-4644", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.4368546307086944 } }, { "source": "CID:49871818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "JQ-1-R-levosulpiride similarity", "source_label": "JQ-1-R", "target_label": "levosulpiride", "cosine_similarity": 0.4052852690219879 } }, { "source": "CID:492405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "favipiravir-estramustine-phosphate similarity", "source_label": "favipiravir", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4139109849929809 } }, { "source": "CID:2993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "dequalinium-cyclosporin-a similarity", "source_label": "dequalinium", "target_label": "cyclosporin-a", "cosine_similarity": 0.4073913991451263 } }, { "source": "CID:4114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "methoxsalen-rutin similarity", "source_label": "methoxsalen", "target_label": "rutin", "cosine_similarity": 0.3451413810253143 } }, { "source": "CID:127894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "LY-215490-theobromine similarity", "source_label": "LY-215490", "target_label": "theobromine", "cosine_similarity": 0.5652974843978882 } }, { "source": "CID:9889200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "balaglitazone-flutrimazole similarity", "source_label": "balaglitazone", "target_label": "flutrimazole", "cosine_similarity": 0.54545658826828 } }, { "source": "CID:3634881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10205", "properties": { "id": "CCT036477-plumbagin similarity", "source_label": "CCT036477", "target_label": "plumbagin", "cosine_similarity": 0.4663935005664825 } }, { "source": "CID:123606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "almotriptan-metacetamol similarity", "source_label": "almotriptan", "target_label": "metacetamol", "cosine_similarity": 0.5686978101730347 } }, { "source": "CID:59174488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071196", "properties": { "id": "AVL-292-pimavanserin similarity", "source_label": "AVL-292", "target_label": "pimavanserin", "cosine_similarity": 0.3999045789241791 } }, { "source": "CID:5865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "prednisone-hydrocortisone similarity", "source_label": "prednisone", "target_label": "hydrocortisone", "cosine_similarity": 0.5873715877532959 } }, { "source": "CID:49867926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6399253", "properties": { "id": "SAR-245409-cefdinir similarity", "source_label": "SAR-245409", "target_label": "cefdinir", "cosine_similarity": 0.3256630599498749 } }, { "source": "CID:46244454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "AZ-20-torin-1 similarity", "source_label": "AZ-20", "target_label": "torin-1", "cosine_similarity": 0.6105313897132874 } }, { "source": "CID:9801969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "EO-1428-BMS-536924 similarity", "source_label": "EO-1428", "target_label": "BMS-536924", "cosine_similarity": 0.3039475977420807 } }, { "source": "CID:3838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "KN-62-CAM-9-027-3 similarity", "source_label": "KN-62", "target_label": "CAM-9-027-3", "cosine_similarity": 0.4998892843723297 } }, { "source": "CID:43231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:195165", "properties": { "id": "clorsulon-SR-95639A similarity", "source_label": "clorsulon", "target_label": "SR-95639A", "cosine_similarity": 0.196446418762207 } }, { "source": "CID:4396344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3489614", "properties": { "id": "5'-guanidinonaltrindole-CGP-54626 similarity", "source_label": "5'-guanidinonaltrindole", "target_label": "CGP-54626", "cosine_similarity": 0.2388864308595657 } }, { "source": "CID:26533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "tiletamine-ipratropium similarity", "source_label": "tiletamine", "target_label": "ipratropium", "cosine_similarity": 0.226715937256813 } }, { "source": "CID:9687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "bucladesine-diazoxide similarity", "source_label": "bucladesine", "target_label": "diazoxide", "cosine_similarity": 0.4819428622722626 } }, { "source": "CID:2990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "dephostatin-sibutramine similarity", "source_label": "dephostatin", "target_label": "sibutramine", "cosine_similarity": 0.2679176926612854 } }, { "source": "CID:4059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1241", "properties": { "id": "mephenesin-SKF-77434 similarity", "source_label": "mephenesin", "target_label": "SKF-77434", "cosine_similarity": 0.1982822269201278 } }, { "source": "CID:3037918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3316", "properties": { "id": "dimemorfan-exalamide similarity", "source_label": "dimemorfan", "target_label": "exalamide", "cosine_similarity": 0.1864165812730789 } }, { "source": "CID:9616928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "MW-MITF24-glutamine similarity", "source_label": "MW-MITF24", "target_label": "glutamine", "cosine_similarity": 0.5685747861862183 } }, { "source": "CID:4122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "nocodazole-parbendazole similarity", "source_label": "nocodazole", "target_label": "parbendazole", "cosine_similarity": 0.9610114097595216 } }, { "source": "CID:5281040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "montelukast-SD-6-035-A8 similarity", "source_label": "montelukast", "target_label": "SD-6-035-A8", "cosine_similarity": 0.3458949327468872 } }, { "source": "CID:3682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "ICI-118551-UB-165 similarity", "source_label": "ICI-118551", "target_label": "UB-165", "cosine_similarity": 0.1995777189731598 } }, { "source": "CID:115348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "2-iodomelatonin-metacetamol similarity", "source_label": "2-iodomelatonin", "target_label": "metacetamol", "cosine_similarity": 0.3345475494861603 } }, { "source": "CID:73707438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "YL-54-azacitidine similarity", "source_label": "YL-54", "target_label": "azacitidine", "cosine_similarity": 0.2599430680274963 } }, { "source": "CID:11717001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9868037", "properties": { "id": "GDC-0879-OSI-930 similarity", "source_label": "GDC-0879", "target_label": "OSI-930", "cosine_similarity": 0.3026325702667236 } }, { "source": "CID:6917960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "KBG-apocynin similarity", "source_label": "KBG", "target_label": "apocynin", "cosine_similarity": 0.3887557685375213 } }, { "source": "CID:6160690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4914", "properties": { "id": "GR-46611-procaine similarity", "source_label": "GR-46611", "target_label": "procaine", "cosine_similarity": 0.1888861507177353 } }, { "source": "CID:6001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "DMBA-irinotecan similarity", "source_label": "DMBA", "target_label": "irinotecan", "cosine_similarity": 0.2336716502904892 } }, { "source": "CID:10313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "benzohydroxamic-acid-FTI-276 similarity", "source_label": "benzohydroxamic-acid", "target_label": "FTI-276", "cosine_similarity": 0.3558167219161987 } }, { "source": "CID:4030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "mebendazole-vinblastine similarity", "source_label": "mebendazole", "target_label": "vinblastine", "cosine_similarity": 0.7483747601509094 } }, { "source": "CID:126388", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6256", "properties": { "id": "BD-1008-trifluridine similarity", "source_label": "BD-1008", "target_label": "trifluridine", "cosine_similarity": 0.2969557642936706 } }, { "source": "CID:3034010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "orlistat-trifluoperazine similarity", "source_label": "orlistat", "target_label": "trifluoperazine", "cosine_similarity": 0.5464411377906799 } }, { "source": "CID:4737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "pentobarbital-withaferin-a similarity", "source_label": "pentobarbital", "target_label": "withaferin-a", "cosine_similarity": 0.2560248076915741 } }, { "source": "CID:54613931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-441412-SA-419010 similarity", "source_label": "SA-441412", "target_label": "SA-419010", "cosine_similarity": 0.3558462560176849 } }, { "source": "CID:4034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "meclizine-valsartan similarity", "source_label": "meclizine", "target_label": "valsartan", "cosine_similarity": 0.4165730774402618 } }, { "source": "CID:183470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "U-54494A-gramine similarity", "source_label": "U-54494A", "target_label": "gramine", "cosine_similarity": 0.265994131565094 } }, { "source": "CID:5265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68186", "properties": { "id": "spiperone-spiramide similarity", "source_label": "spiperone", "target_label": "spiramide", "cosine_similarity": 0.5327188968658447 } }, { "source": "CID:60751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4449", "properties": { "id": "temoporfin-nefazodone similarity", "source_label": "temoporfin", "target_label": "nefazodone", "cosine_similarity": 0.4223548471927643 } }, { "source": "CID:135412795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "bentazepam-docetaxel similarity", "source_label": "bentazepam", "target_label": "docetaxel", "cosine_similarity": 0.4925110936164856 } }, { "source": "CID:44620657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658832", "properties": { "id": "SA-424233-SA-1459256 similarity", "source_label": "SA-424233", "target_label": "SA-1459256", "cosine_similarity": 0.2470544278621673 } }, { "source": "CID:196841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "FR-122047-loperamide similarity", "source_label": "FR-122047", "target_label": "loperamide", "cosine_similarity": 0.2858689427375793 } }, { "source": "CID:25025298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10427712", "properties": { "id": "telotristat-TG-100115 similarity", "source_label": "telotristat", "target_label": "TG-100115", "cosine_similarity": 0.2804329693317413 } }, { "source": "CID:227112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "reichstein-1-benzylimidazole similarity", "source_label": "reichstein", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2072809934616089 } }, { "source": "CID:4713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "PD-98059-PD-184352 similarity", "source_label": "PD-98059", "target_label": "PD-184352", "cosine_similarity": 0.454710304737091 } }, { "source": "CID:3385203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "GTP-14564-hemado similarity", "source_label": "GTP-14564", "target_label": "hemado", "cosine_similarity": 0.2042644023895263 } }, { "source": "CID:5284583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "levetiracetam-diazoxide similarity", "source_label": "levetiracetam", "target_label": "diazoxide", "cosine_similarity": 0.4409642219543457 } }, { "source": "CID:629852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:656731", "properties": { "id": "BML-257-chromanol similarity", "source_label": "BML-257", "target_label": "chromanol", "cosine_similarity": 0.2182193249464035 } }, { "source": "CID:107930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19675", "properties": { "id": "ecopipam-piperacetazine similarity", "source_label": "ecopipam", "target_label": "piperacetazine", "cosine_similarity": 0.2932868897914886 } }, { "source": "CID:13013971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71414", "properties": { "id": "depomedrol-diflorasone similarity", "source_label": "depomedrol", "target_label": "diflorasone", "cosine_similarity": 0.3028581142425537 } }, { "source": "CID:45259133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44828476", "properties": { "id": "VU-0415113-1-KU-C104545N similarity", "source_label": "VU-0415113-1", "target_label": "KU-C104545N", "cosine_similarity": 0.2216341346502304 } }, { "source": "CID:44640175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "KU-C104487-L-ergothioneine similarity", "source_label": "KU-C104487", "target_label": "L-ergothioneine", "cosine_similarity": 0.3942004144191742 } }, { "source": "CID:3540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "H-8-ruxolitinib similarity", "source_label": "H-8", "target_label": "ruxolitinib", "cosine_similarity": 0.2930262386798858 } }, { "source": "CID:54654437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184895", "properties": { "id": "SA-1472734-SA-1939938 similarity", "source_label": "SA-1472734", "target_label": "SA-1939938", "cosine_similarity": 0.2903755605220794 } }, { "source": "CID:4212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "mitoxantrone-doxorubicin similarity", "source_label": "mitoxantrone", "target_label": "doxorubicin", "cosine_similarity": 0.8193166255950928 } }, { "source": "CID:5288382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23351218", "properties": { "id": "geldanamycin-radicicol similarity", "source_label": "geldanamycin", "target_label": "radicicol", "cosine_similarity": 0.8417353630065918 } }, { "source": "CID:25183872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "ixazomib-thiostrepton similarity", "source_label": "ixazomib", "target_label": "thiostrepton", "cosine_similarity": 0.6572304368019104 } }, { "source": "CID:4858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "PJ-34-APO-866 similarity", "source_label": "PJ-34", "target_label": "APO-866", "cosine_similarity": 0.4603673219680786 } }, { "source": "CID:6758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3854666", "properties": { "id": "rotenone-SB-225002 similarity", "source_label": "rotenone", "target_label": "SB-225002", "cosine_similarity": 0.5592222809791565 } }, { "source": "CID:4381125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "K784-3131-K784-3188 similarity", "source_label": "K784-3131", "target_label": "K784-3188", "cosine_similarity": 0.8466416597366333 } }, { "source": "CID:4911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "probenecid-marbofloxacin similarity", "source_label": "probenecid", "target_label": "marbofloxacin", "cosine_similarity": 0.3638973534107208 } }, { "source": "CID:3598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "hexachlorophene-niclosamide similarity", "source_label": "hexachlorophene", "target_label": "niclosamide", "cosine_similarity": 0.6467416286468506 } }, { "source": "CID:1464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "bisbenzimide-doxorubicin similarity", "source_label": "bisbenzimide", "target_label": "doxorubicin", "cosine_similarity": 0.3316398859024048 } }, { "source": "CID:57369718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "vecuronium-RG-108 similarity", "source_label": "vecuronium", "target_label": "RG-108", "cosine_similarity": 0.370770514011383 } }, { "source": "CID:8567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4207396", "properties": { "id": "meglumine-ST-014147 similarity", "source_label": "meglumine", "target_label": "ST-014147", "cosine_similarity": 0.2076740860939026 } }, { "source": "CID:5359371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "levallorphan-tecastemizole similarity", "source_label": "levallorphan", "target_label": "tecastemizole", "cosine_similarity": 0.2888121902942657 } }, { "source": "CID:54666595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "SA-1921085-fluvastatin similarity", "source_label": "SA-1921085", "target_label": "fluvastatin", "cosine_similarity": 0.3569912612438202 } }, { "source": "CID:9891901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "NGB-2904-enzastaurin similarity", "source_label": "NGB-2904", "target_label": "enzastaurin", "cosine_similarity": 0.2620492577552795 } }, { "source": "CID:3105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "dipivefrine-KU-C104137 similarity", "source_label": "dipivefrine", "target_label": "KU-C104137", "cosine_similarity": 0.289196252822876 } }, { "source": "CID:46944259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "LY-2874455-TAK-733 similarity", "source_label": "LY-2874455", "target_label": "TAK-733", "cosine_similarity": 0.4371621608734131 } }, { "source": "CID:5288320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "topiroxostat-lorcaserin similarity", "source_label": "topiroxostat", "target_label": "lorcaserin", "cosine_similarity": 0.3502056002616882 } }, { "source": "CID:70680410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680398", "properties": { "id": "MW-SHH-98-MW-SHH-97 similarity", "source_label": "MW-SHH-98", "target_label": "MW-SHH-97", "cosine_similarity": 0.2738027572631836 } }, { "source": "CID:54657732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488194", "properties": { "id": "SA-1458985-SA-426029 similarity", "source_label": "SA-1458985", "target_label": "SA-426029", "cosine_similarity": 0.3867851793766022 } }, { "source": "CID:73707348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "anthothecol-K784-3131 similarity", "source_label": "anthothecol", "target_label": "K784-3131", "cosine_similarity": 0.5898312330245972 } }, { "source": "CID:46854655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5565", "properties": { "id": "AMG-837-trientine similarity", "source_label": "AMG-837", "target_label": "trientine", "cosine_similarity": 0.2601526081562042 } }, { "source": "CID:4421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "nalidixic-acid-gossypin similarity", "source_label": "nalidixic-acid", "target_label": "gossypin", "cosine_similarity": 0.3124996721744537 } }, { "source": "CID:135411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "CD-437-amsacrine similarity", "source_label": "CD-437", "target_label": "amsacrine", "cosine_similarity": 0.6560938358306885 } }, { "source": "CID:125519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "aminogenistein-dipyrocetyl similarity", "source_label": "aminogenistein", "target_label": "dipyrocetyl", "cosine_similarity": 0.2387036979198455 } }, { "source": "CID:19529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16659841", "properties": { "id": "diloxanide-AZD-1480 similarity", "source_label": "diloxanide", "target_label": "AZD-1480", "cosine_similarity": 0.2091187685728073 } }, { "source": "CID:1714884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "AC-55649-tretinoin similarity", "source_label": "AC-55649", "target_label": "tretinoin", "cosine_similarity": 0.4530493319034576 } }, { "source": "CID:16118392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60663", "properties": { "id": "golvatinib-mibefradil similarity", "source_label": "golvatinib", "target_label": "mibefradil", "cosine_similarity": 0.3687793016433716 } }, { "source": "CID:443944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "metrizamide-Gly-Gly-PALO similarity", "source_label": "metrizamide", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2753389179706573 } }, { "source": "CID:5467485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "AG-592-CGP-71683 similarity", "source_label": "AG-592", "target_label": "CGP-71683", "cosine_similarity": 0.707599937915802 } }, { "source": "CID:4578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "O6-benzylguanine-JNJ-38877605 similarity", "source_label": "O6-benzylguanine", "target_label": "JNJ-38877605", "cosine_similarity": 0.3399458229541778 } }, { "source": "CID:4934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "propantheline-darinaparsin similarity", "source_label": "propantheline", "target_label": "darinaparsin", "cosine_similarity": 0.2319151014089584 } }, { "source": "CID:7083563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104758", "properties": { "id": "floxuridine-raltitrexed similarity", "source_label": "floxuridine", "target_label": "raltitrexed", "cosine_similarity": 0.758905827999115 } }, { "source": "CID:1243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4671", "properties": { "id": "SKF-83566-palmitoylethanolamide similarity", "source_label": "SKF-83566", "target_label": "palmitoylethanolamide", "cosine_similarity": 0.2486549913883209 } }, { "source": "CID:1510378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602375", "properties": { "id": "KU-C103671-KU-C104123 similarity", "source_label": "KU-C103671", "target_label": "KU-C104123", "cosine_similarity": 0.2391703724861145 } }, { "source": "CID:9848818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10117987", "properties": { "id": "ursodeoxycholyltaurine-preladenant similarity", "source_label": "ursodeoxycholyltaurine", "target_label": "preladenant", "cosine_similarity": 0.2742110788822174 } }, { "source": "CID:3899541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "DNQX-bucladesine similarity", "source_label": "DNQX", "target_label": "bucladesine", "cosine_similarity": 0.294286847114563 } }, { "source": "CID:31635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42785", "properties": { "id": "tromaril-metenkephalin similarity", "source_label": "tromaril", "target_label": "metenkephalin", "cosine_similarity": 0.1729451417922973 } }, { "source": "CID:445858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82320", "properties": { "id": "ferulic-acid-1-EBIO similarity", "source_label": "ferulic-acid", "target_label": "1-EBIO", "cosine_similarity": 0.6077872514724731 } }, { "source": "CID:10071166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10745", "properties": { "id": "DCPIB-acetylsalicylsalicylic-acid similarity", "source_label": "DCPIB", "target_label": "acetylsalicylsalicylic-acid", "cosine_similarity": 0.2605418264865875 } }, { "source": "CID:7699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6560153", "properties": { "id": "benzonatate-penicillin similarity", "source_label": "benzonatate", "target_label": "penicillin", "cosine_similarity": 0.2340074926614761 } }, { "source": "CID:2802894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707399", "properties": { "id": "LY-288513-SA-1458571 similarity", "source_label": "LY-288513", "target_label": "SA-1458571", "cosine_similarity": 0.2268263101577758 } }, { "source": "CID:1140587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "BAS-02859604-idelalisib similarity", "source_label": "BAS-02859604", "target_label": "idelalisib", "cosine_similarity": 0.3333947956562042 } }, { "source": "CID:637563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "anethole-Gossypetin similarity", "source_label": "anethole", "target_label": "Gossypetin", "cosine_similarity": 0.3048610389232635 } }, { "source": "CID:35028748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "CAY-10585-azacitidine similarity", "source_label": "CAY-10585", "target_label": "azacitidine", "cosine_similarity": 0.2907834053039551 } }, { "source": "CID:54677407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "robustic-acid-lorazepam similarity", "source_label": "robustic-acid", "target_label": "lorazepam", "cosine_similarity": 0.2800362408161163 } }, { "source": "CID:3742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "ioxaglic-acid-meclofenamic-acid similarity", "source_label": "ioxaglic-acid", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3984658420085907 } }, { "source": "CID:55283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11256587", "properties": { "id": "itraconazole-AMD-11070 similarity", "source_label": "itraconazole", "target_label": "AMD-11070", "cosine_similarity": 0.3428531885147095 } }, { "source": "CID:6610273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15604015", "properties": { "id": "C2-dihydroceramide-ABC-294640 similarity", "source_label": "C2-dihydroceramide", "target_label": "ABC-294640", "cosine_similarity": 0.4155714511871338 } }, { "source": "CID:119182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "clofarabine-mitomycin-c similarity", "source_label": "clofarabine", "target_label": "mitomycin-c", "cosine_similarity": 0.7030609846115112 } }, { "source": "CID:107935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9836739", "properties": { "id": "deguelin-PNU-74654 similarity", "source_label": "deguelin", "target_label": "PNU-74654", "cosine_similarity": 0.4411178529262543 } }, { "source": "CID:2794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "clofazimine-ibutamoren similarity", "source_label": "clofazimine", "target_label": "ibutamoren", "cosine_similarity": 0.3073299527168274 } }, { "source": "CID:4277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167683", "properties": { "id": "dicyclohexylurea-leucodin similarity", "source_label": "dicyclohexylurea", "target_label": "leucodin", "cosine_similarity": 0.2108617424964904 } }, { "source": "CID:4250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122162", "properties": { "id": "morantel-luzindole similarity", "source_label": "morantel", "target_label": "luzindole", "cosine_similarity": 0.2364207804203033 } }, { "source": "CID:6918837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5352062", "properties": { "id": "panobinostat-romidepsin similarity", "source_label": "panobinostat", "target_label": "romidepsin", "cosine_similarity": 0.9294694066047668 } }, { "source": "CID:676352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121926", "properties": { "id": "DBeQ-ZK-93423 similarity", "source_label": "DBeQ", "target_label": "ZK-93423", "cosine_similarity": 0.2604680359363556 } }, { "source": "CID:3000322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3324", "properties": { "id": "scopolamine-famciclovir similarity", "source_label": "scopolamine", "target_label": "famciclovir", "cosine_similarity": 0.4088522791862488 } }, { "source": "CID:49871818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71271629", "properties": { "id": "JQ-1-R-PFI-1 similarity", "source_label": "JQ-1-R", "target_label": "PFI-1", "cosine_similarity": 0.3719755709171295 } }, { "source": "CID:73707476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3779", "properties": { "id": "pivampicillin-isoprenaline similarity", "source_label": "pivampicillin", "target_label": "isoprenaline", "cosine_similarity": 0.2357425391674041 } }, { "source": "CID:2802894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "LY-288513-VER-155008 similarity", "source_label": "LY-288513", "target_label": "VER-155008", "cosine_similarity": 0.2307387888431549 } }, { "source": "CID:5288382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288674", "properties": { "id": "geldanamycin-alvespimycin similarity", "source_label": "geldanamycin", "target_label": "alvespimycin", "cosine_similarity": 0.8729522824287415 } }, { "source": "CID:53276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "flupirtine-NNC-711 similarity", "source_label": "flupirtine", "target_label": "NNC-711", "cosine_similarity": 0.2770422995090484 } }, { "source": "CID:25260757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "WYE-125132-AZD-8055 similarity", "source_label": "WYE-125132", "target_label": "AZD-8055", "cosine_similarity": 0.8411659598350525 } }, { "source": "CID:9417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "opipramol-vandetanib similarity", "source_label": "opipramol", "target_label": "vandetanib", "cosine_similarity": 0.2340803891420364 } }, { "source": "CID:134778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "ICI-162846-granisetron similarity", "source_label": "ICI-162846", "target_label": "granisetron", "cosine_similarity": 0.6316555142402649 } }, { "source": "CID:3741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4930", "properties": { "id": "ioversol-pronetalol similarity", "source_label": "ioversol", "target_label": "pronetalol", "cosine_similarity": 0.2480630278587341 } }, { "source": "CID:1189521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "MW-MITF9-7-nitroindazole similarity", "source_label": "MW-MITF9", "target_label": "7-nitroindazole", "cosine_similarity": 0.3946434557437897 } }, { "source": "CID:216454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10099206", "properties": { "id": "L-778123-LB-42708 similarity", "source_label": "L-778123", "target_label": "LB-42708", "cosine_similarity": 0.611160933971405 } }, { "source": "CID:4768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5356121", "properties": { "id": "phenoxybenzamine-flavokavain-b similarity", "source_label": "phenoxybenzamine", "target_label": "flavokavain-b", "cosine_similarity": 0.301996111869812 } }, { "source": "CID:5320346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "hydrocortisone-methylprednisolone similarity", "source_label": "hydrocortisone", "target_label": "methylprednisolone", "cosine_similarity": 0.611260175704956 } }, { "source": "CID:135470813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17534", "properties": { "id": "MW-STK33-2C-6-aminochrysene similarity", "source_label": "MW-STK33-2C", "target_label": "6-aminochrysene", "cosine_similarity": 0.2726060748100281 } }, { "source": "CID:5329480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5354033", "properties": { "id": "GW-583340-U-0126 similarity", "source_label": "GW-583340", "target_label": "U-0126", "cosine_similarity": 0.2603572010993957 } }, { "source": "CID:182593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "RS-23597-190-thiazolopyrimidine similarity", "source_label": "RS-23597-190", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.4407228529453277 } }, { "source": "CID:5002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "quetiapine-BMS-191011 similarity", "source_label": "quetiapine", "target_label": "BMS-191011", "cosine_similarity": 0.4133782982826233 } }, { "source": "CID:5734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "zonisamide-eperezolid similarity", "source_label": "zonisamide", "target_label": "eperezolid", "cosine_similarity": 0.4035238027572632 } }, { "source": "CID:7427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "trehalose-sodium-gualenate similarity", "source_label": "trehalose", "target_label": "sodium-gualenate", "cosine_similarity": 0.469045341014862 } }, { "source": "CID:49849909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "DM-161-PSH-003 similarity", "source_label": "DM-161", "target_label": "PSH-003", "cosine_similarity": 0.3210642039775848 } }, { "source": "CID:2678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "cetirizine-LY-2365109 similarity", "source_label": "cetirizine", "target_label": "LY-2365109", "cosine_similarity": 0.2686217129230499 } }, { "source": "CID:73707372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "PP-30-PP-110 similarity", "source_label": "PP-30", "target_label": "PP-110", "cosine_similarity": 0.5955394506454468 } }, { "source": "CID:54655704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44491382", "properties": { "id": "SA-1462738-SA-97343 similarity", "source_label": "SA-1462738", "target_label": "SA-97343", "cosine_similarity": 0.2852663397789001 } }, { "source": "CID:6439848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2540", "properties": { "id": "eicosadienoic-acid-candesartan-cilextil similarity", "source_label": "eicosadienoic-acid", "target_label": "candesartan-cilextil", "cosine_similarity": 0.215380385518074 } }, { "source": "CID:5328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1359", "properties": { "id": "sulfamethizole-TRIM similarity", "source_label": "sulfamethizole", "target_label": "TRIM", "cosine_similarity": 0.3969710767269134 } }, { "source": "CID:4891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2187", "properties": { "id": "praziquantel-anastrozole similarity", "source_label": "praziquantel", "target_label": "anastrozole", "cosine_similarity": 0.3185940086841583 } }, { "source": "CID:3758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68591", "properties": { "id": "IBMX-toltrazuril similarity", "source_label": "IBMX", "target_label": "toltrazuril", "cosine_similarity": 0.1506441235542297 } }, { "source": "CID:1092458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "DAC-013-gossypin similarity", "source_label": "DAC-013", "target_label": "gossypin", "cosine_similarity": 0.3841188848018646 } }, { "source": "CID:2390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2549", "properties": { "id": "AG-490-capsazepine similarity", "source_label": "AG-490", "target_label": "capsazepine", "cosine_similarity": 0.3425042331218719 } }, { "source": "CID:92144482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5983", "properties": { "id": "semagacestat-physostigmine similarity", "source_label": "semagacestat", "target_label": "physostigmine", "cosine_similarity": 0.3153517544269562 } }, { "source": "CID:6481236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "PSI-6130-roquinimex similarity", "source_label": "PSI-6130", "target_label": "roquinimex", "cosine_similarity": 0.5537768006324768 } }, { "source": "CID:446155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "fluvastatin-BIBU-1361 similarity", "source_label": "fluvastatin", "target_label": "BIBU-1361", "cosine_similarity": 0.6287004351615906 } }, { "source": "CID:3903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "leu-enkephalin-PSH-028 similarity", "source_label": "leu-enkephalin", "target_label": "PSH-028", "cosine_similarity": 0.4085226655006408 } }, { "source": "CID:5369716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91930061", "properties": { "id": "verrucarin-a-bruceantin similarity", "source_label": "verrucarin-a", "target_label": "bruceantin", "cosine_similarity": 0.7986533045768738 } }, { "source": "CID:2771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "citalopram-lorazepam similarity", "source_label": "citalopram", "target_label": "lorazepam", "cosine_similarity": 0.4615127444267273 } }, { "source": "CID:4284720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "BW-723C86-U-18666A similarity", "source_label": "BW-723C86", "target_label": "U-18666A", "cosine_similarity": 0.2438143640756607 } }, { "source": "CID:5472495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "exisulind-narciclasine similarity", "source_label": "exisulind", "target_label": "narciclasine", "cosine_similarity": 0.2851821482181549 } }, { "source": "CID:5092098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:512292", "properties": { "id": "RU-28318-iso-olomoucine similarity", "source_label": "RU-28318", "target_label": "iso-olomoucine", "cosine_similarity": 0.2231141924858093 } }, { "source": "CID:89683805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483163", "properties": { "id": "enasidenib-endo-IWR-1 similarity", "source_label": "enasidenib", "target_label": "endo-IWR-1", "cosine_similarity": 0.1686214804649353 } }, { "source": "CID:34772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483234", "properties": { "id": "BE-2254-terreic-acid similarity", "source_label": "BE-2254", "target_label": "terreic-acid", "cosine_similarity": 0.3120491802692413 } }, { "source": "CID:31508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "proquazone-dienestrol similarity", "source_label": "proquazone", "target_label": "dienestrol", "cosine_similarity": 0.2662356197834015 } }, { "source": "CID:6710776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "nomilin-dalcetrapib similarity", "source_label": "nomilin", "target_label": "dalcetrapib", "cosine_similarity": 0.2841992974281311 } }, { "source": "CID:163844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "CGS-20625-valsartan similarity", "source_label": "CGS-20625", "target_label": "valsartan", "cosine_similarity": 0.5269050002098083 } }, { "source": "CID:1243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91610", "properties": { "id": "SKF-83566-gliquidone similarity", "source_label": "SKF-83566", "target_label": "gliquidone", "cosine_similarity": 0.24298195540905 } }, { "source": "CID:5340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12625909", "properties": { "id": "sulfathiazole-cloxacillin similarity", "source_label": "sulfathiazole", "target_label": "cloxacillin", "cosine_similarity": 0.3135941326618194 } }, { "source": "CID:8249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "phenformin-sparfloxacin similarity", "source_label": "phenformin", "target_label": "sparfloxacin", "cosine_similarity": 0.4946531057357788 } }, { "source": "CID:159603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "resiquimod-isradipine similarity", "source_label": "resiquimod", "target_label": "isradipine", "cosine_similarity": 0.2542101740837097 } }, { "source": "CID:3003141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "luliconazole-probucol similarity", "source_label": "luliconazole", "target_label": "probucol", "cosine_similarity": 0.4724887013435364 } }, { "source": "CID:6708582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604858", "properties": { "id": "deoxyandirobin-SB-218795 similarity", "source_label": "deoxyandirobin", "target_label": "SB-218795", "cosine_similarity": 0.2069365829229354 } }, { "source": "CID:10125107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124846", "properties": { "id": "lawsone-HTMT similarity", "source_label": "lawsone", "target_label": "HTMT", "cosine_similarity": 0.2039818465709686 } }, { "source": "CID:4780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707411", "properties": { "id": "1-phenylbiguanide-treprostinil similarity", "source_label": "1-phenylbiguanide", "target_label": "treprostinil", "cosine_similarity": 0.2764482796192169 } }, { "source": "CID:10052040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "CP-945598-levofloxacin similarity", "source_label": "CP-945598", "target_label": "levofloxacin", "cosine_similarity": 0.4605401754379272 } }, { "source": "CID:11625818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "idelalisib-ifosfamide similarity", "source_label": "idelalisib", "target_label": "ifosfamide", "cosine_similarity": 0.5636183619499207 } }, { "source": "CID:5983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "physostigmine-pritelivir similarity", "source_label": "physostigmine", "target_label": "pritelivir", "cosine_similarity": 0.4317698180675506 } }, { "source": "CID:451668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "decitabine-topotecan similarity", "source_label": "decitabine", "target_label": "topotecan", "cosine_similarity": 0.3814609348773956 } }, { "source": "CID:73707475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5572", "properties": { "id": "bacampicilline-trihexyphenidyl similarity", "source_label": "bacampicilline", "target_label": "trihexyphenidyl", "cosine_similarity": 0.2020465433597564 } }, { "source": "CID:50248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:492405", "properties": { "id": "triclabendazole-favipiravir similarity", "source_label": "triclabendazole", "target_label": "favipiravir", "cosine_similarity": 0.276920348405838 } }, { "source": "CID:4996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53340666", "properties": { "id": "pyroxamide-ACY-1215 similarity", "source_label": "pyroxamide", "target_label": "ACY-1215", "cosine_similarity": 0.6018815636634827 } }, { "source": "CID:4760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14520", "properties": { "id": "phenindione-citiolone similarity", "source_label": "phenindione", "target_label": "citiolone", "cosine_similarity": 0.2854800224304199 } }, { "source": "CID:195165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "SR-95639A-alfuzosin similarity", "source_label": "SR-95639A", "target_label": "alfuzosin", "cosine_similarity": 0.2747921645641327 } }, { "source": "CID:3568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "EI-273-meclofenamic-acid similarity", "source_label": "EI-273", "target_label": "meclofenamic-acid", "cosine_similarity": 0.435204803943634 } }, { "source": "CID:5014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1243", "properties": { "id": "QX-222-SKF-83566 similarity", "source_label": "QX-222", "target_label": "SKF-83566", "cosine_similarity": 0.2230985313653946 } }, { "source": "CID:3906779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "Ro-106-9920-withaferin-a similarity", "source_label": "Ro-106-9920", "target_label": "withaferin-a", "cosine_similarity": 0.5543301701545715 } }, { "source": "CID:49766530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "TL-HRAS-61-K784-3187 similarity", "source_label": "TL-HRAS-61", "target_label": "K784-3187", "cosine_similarity": 0.5894072651863098 } }, { "source": "CID:23897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "molindone-resatorvid similarity", "source_label": "molindone", "target_label": "resatorvid", "cosine_similarity": 0.4475229382514953 } }, { "source": "CID:73707446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "tigecycline-tyrphostin-A9 similarity", "source_label": "tigecycline", "target_label": "tyrphostin-A9", "cosine_similarity": 0.465453565120697 } }, { "source": "CID:6710736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "troxerutin-sulfanitran similarity", "source_label": "troxerutin", "target_label": "sulfanitran", "cosine_similarity": 0.4186748564243316 } }, { "source": "CID:3825829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "mdivi-1-docetaxel similarity", "source_label": "mdivi-1", "target_label": "docetaxel", "cosine_similarity": 0.3130478858947754 } }, { "source": "CID:5319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "sulfabenzamide-temozolomide similarity", "source_label": "sulfabenzamide", "target_label": "temozolomide", "cosine_similarity": 0.3633813560009002 } }, { "source": "CID:39468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25031915", "properties": { "id": "levobunolol-lucitanib similarity", "source_label": "levobunolol", "target_label": "lucitanib", "cosine_similarity": 0.2780212461948395 } }, { "source": "CID:446156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135409453", "properties": { "id": "cerivastatin-tegaserod similarity", "source_label": "cerivastatin", "target_label": "tegaserod", "cosine_similarity": 0.4692593216896057 } }, { "source": "CID:6603931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "MRS-1754-TUL-XX025TFA similarity", "source_label": "MRS-1754", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2873473167419433 } }, { "source": "CID:2343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "benzthiazide-mestranol similarity", "source_label": "benzthiazide", "target_label": "mestranol", "cosine_similarity": 0.3399857878684997 } }, { "source": "CID:52914932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "SAR-245408-PLX-4720 similarity", "source_label": "SAR-245408", "target_label": "PLX-4720", "cosine_similarity": 0.35151407122612 } }, { "source": "CID:10182969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "apixaban-PYM-50028 similarity", "source_label": "apixaban", "target_label": "PYM-50028", "cosine_similarity": 0.4409202635288238 } }, { "source": "CID:3488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "glibenclamide-PRIMA1 similarity", "source_label": "glibenclamide", "target_label": "PRIMA1", "cosine_similarity": 0.4528465270996094 } }, { "source": "CID:4038180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3762", "properties": { "id": "A-61603-isoetharine similarity", "source_label": "A-61603", "target_label": "isoetharine", "cosine_similarity": 0.5712332725524902 } }, { "source": "CID:10202642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "GW-788388-cefepime similarity", "source_label": "GW-788388", "target_label": "cefepime", "cosine_similarity": 0.3228206634521484 } }, { "source": "CID:23817956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "hydralazine-DR-2313 similarity", "source_label": "hydralazine", "target_label": "DR-2313", "cosine_similarity": 0.2339295297861099 } }, { "source": "CID:3035746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "iodophenpropit-FIT similarity", "source_label": "iodophenpropit", "target_label": "FIT", "cosine_similarity": 0.4810845553874969 } }, { "source": "CID:68844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "brinzolamide-JZL-184 similarity", "source_label": "brinzolamide", "target_label": "JZL-184", "cosine_similarity": 0.2864283323287964 } }, { "source": "CID:4210951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "SB-415286-roscovitine similarity", "source_label": "SB-415286", "target_label": "roscovitine", "cosine_similarity": 0.4200106263160705 } }, { "source": "CID:6604931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "aminopurvalanol-a-mitoxantrone similarity", "source_label": "aminopurvalanol-a", "target_label": "mitoxantrone", "cosine_similarity": 0.4867799878120422 } }, { "source": "CID:72201027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "SGC-CBP30-OTX-015 similarity", "source_label": "SGC-CBP30", "target_label": "OTX-015", "cosine_similarity": 0.3252418637275696 } }, { "source": "CID:9642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "fluocinonide-halcinonide similarity", "source_label": "fluocinonide", "target_label": "halcinonide", "cosine_similarity": 0.34955894947052 } }, { "source": "CID:3463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "gemfibrozil-disopyramide similarity", "source_label": "gemfibrozil", "target_label": "disopyramide", "cosine_similarity": 0.5642885565757751 } }, { "source": "CID:10429242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "CAY-10415-DMNB similarity", "source_label": "CAY-10415", "target_label": "DMNB", "cosine_similarity": 0.2626053094863891 } }, { "source": "CID:119607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707429", "properties": { "id": "valdecoxib-oligomycin-a similarity", "source_label": "valdecoxib", "target_label": "oligomycin-a", "cosine_similarity": 0.3752784430980682 } }, { "source": "CID:2868392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "NECA-FTI-276 similarity", "source_label": "NECA", "target_label": "FTI-276", "cosine_similarity": 0.3367468416690826 } }, { "source": "CID:54613797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-440968-SA-1456625 similarity", "source_label": "SA-440968", "target_label": "SA-1456625", "cosine_similarity": 0.2911722064018249 } }, { "source": "CID:299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71748056", "properties": { "id": "kepone-QL-XII-47 similarity", "source_label": "kepone", "target_label": "QL-XII-47", "cosine_similarity": 0.2927761375904083 } }, { "source": "CID:22094941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4784", "properties": { "id": "norcitalopram-PMSF similarity", "source_label": "norcitalopram", "target_label": "PMSF", "cosine_similarity": 0.2289440482854843 } }, { "source": "CID:44507283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-247592-SA-85268 similarity", "source_label": "SA-247592", "target_label": "SA-85268", "cosine_similarity": 0.3098984062671661 } }, { "source": "CID:54659308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-1457169-SA-441181 similarity", "source_label": "SA-1457169", "target_label": "SA-441181", "cosine_similarity": 0.4770387411117553 } }, { "source": "CID:5312557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006141", "properties": { "id": "docosatrienoic-acid-pregnenolone-succinate similarity", "source_label": "docosatrienoic-acid", "target_label": "pregnenolone-succinate", "cosine_similarity": 0.2436464875936508 } }, { "source": "CID:24856436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11955855", "properties": { "id": "MK-1775-LY-2603618 similarity", "source_label": "MK-1775", "target_label": "LY-2603618", "cosine_similarity": 0.4718871116638183 } }, { "source": "CID:2554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148198", "properties": { "id": "carbamazepine-GMX-1778 similarity", "source_label": "carbamazepine", "target_label": "GMX-1778", "cosine_similarity": 0.536605179309845 } }, { "source": "CID:45006145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "hydrocortisone-valerate-fluticasone-propionate similarity", "source_label": "hydrocortisone-valerate", "target_label": "fluticasone-propionate", "cosine_similarity": 0.3757610917091369 } }, { "source": "CID:71721648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "CEP-37440-GDC-0980 similarity", "source_label": "CEP-37440", "target_label": "GDC-0980", "cosine_similarity": 0.5959901213645935 } }, { "source": "CID:11561383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "nesbuvir-linsidomine similarity", "source_label": "nesbuvir", "target_label": "linsidomine", "cosine_similarity": 0.5249212384223938 } }, { "source": "CID:1505783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72385", "properties": { "id": "STK-661558-nonoxynol-9 similarity", "source_label": "STK-661558", "target_label": "nonoxynol-9", "cosine_similarity": 0.3964127004146576 } }, { "source": "CID:4116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "methoxyflurane-danegaptide similarity", "source_label": "methoxyflurane", "target_label": "danegaptide", "cosine_similarity": 0.2978741228580475 } }, { "source": "CID:44490413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SA-432998-phenothiazine similarity", "source_label": "SA-432998", "target_label": "phenothiazine", "cosine_similarity": 0.3284311294555664 } }, { "source": "CID:6597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "dichloroacetic-acid-alosetron similarity", "source_label": "dichloroacetic-acid", "target_label": "alosetron", "cosine_similarity": 0.3889011740684509 } }, { "source": "CID:3688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "IDRA-21-drofenine similarity", "source_label": "IDRA-21", "target_label": "drofenine", "cosine_similarity": 0.5392138957977295 } }, { "source": "CID:4099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280378", "properties": { "id": "metharbital-formononetin similarity", "source_label": "metharbital", "target_label": "formononetin", "cosine_similarity": 0.2685190141201019 } }, { "source": "CID:5126051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "CPCCOEt-enrofloxacin similarity", "source_label": "CPCCOEt", "target_label": "enrofloxacin", "cosine_similarity": 0.2581475675106048 } }, { "source": "CID:73707550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601455", "properties": { "id": "BG-1026-WT-171 similarity", "source_label": "BG-1026", "target_label": "WT-171", "cosine_similarity": 0.3512075543403625 } }, { "source": "CID:2882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "cromoglicic-acid-lorcaserin similarity", "source_label": "cromoglicic-acid", "target_label": "lorcaserin", "cosine_similarity": 0.3846212029457092 } }, { "source": "CID:44492098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "SA-427543-YK-4279 similarity", "source_label": "SA-427543", "target_label": "YK-4279", "cosine_similarity": 0.3690022230148315 } }, { "source": "CID:82146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "bexarotene-primaquine similarity", "source_label": "bexarotene", "target_label": "primaquine", "cosine_similarity": 0.3892170786857605 } }, { "source": "CID:44623839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107935", "properties": { "id": "KU-C104233-deguelin similarity", "source_label": "KU-C104233", "target_label": "deguelin", "cosine_similarity": 0.225034475326538 } }, { "source": "CID:44640181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "KU-C104495-triptolide similarity", "source_label": "KU-C104495", "target_label": "triptolide", "cosine_similarity": 0.4134986996650696 } }, { "source": "CID:3645619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "PD-168077-fillalbin similarity", "source_label": "PD-168077", "target_label": "fillalbin", "cosine_similarity": 0.2885483801364898 } }, { "source": "CID:3117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "disulfiram-BNTX similarity", "source_label": "disulfiram", "target_label": "BNTX", "cosine_similarity": 0.580793023109436 } }, { "source": "CID:5961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747193", "properties": { "id": "glutamine-JAS07-005 similarity", "source_label": "glutamine", "target_label": "JAS07-005", "cosine_similarity": 0.3673396408557892 } }, { "source": "CID:5240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "iodoacetic-acid-K784-3187 similarity", "source_label": "iodoacetic-acid", "target_label": "K784-3187", "cosine_similarity": 0.6190723180770874 } }, { "source": "CID:44492894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659344", "properties": { "id": "SA-90471-SA-1457415 similarity", "source_label": "SA-90471", "target_label": "SA-1457415", "cosine_similarity": 0.4351101219654083 } }, { "source": "CID:6918878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6675804", "properties": { "id": "Merck60-tubacin similarity", "source_label": "Merck60", "target_label": "tubacin", "cosine_similarity": 0.4661376774311065 } }, { "source": "CID:667477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:177", "properties": { "id": "doxepin-acetaldehyde similarity", "source_label": "doxepin", "target_label": "acetaldehyde", "cosine_similarity": 0.239639401435852 } }, { "source": "CID:10296883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5496659", "properties": { "id": "sotrastaurin-otamixaban similarity", "source_label": "sotrastaurin", "target_label": "otamixaban", "cosine_similarity": 0.2835286855697632 } }, { "source": "CID:5311037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23116322", "properties": { "id": "istradefylline-KW-2478 similarity", "source_label": "istradefylline", "target_label": "KW-2478", "cosine_similarity": 0.1957437098026275 } }, { "source": "CID:5577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9824562", "properties": { "id": "trimethobenzamide-andarine similarity", "source_label": "trimethobenzamide", "target_label": "andarine", "cosine_similarity": 0.2766035497188568 } }, { "source": "CID:216345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "nutlin-3-etoposide similarity", "source_label": "nutlin-3", "target_label": "etoposide", "cosine_similarity": 0.5523563623428345 } }, { "source": "CID:644030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "DY-131-tivantinib similarity", "source_label": "DY-131", "target_label": "tivantinib", "cosine_similarity": 0.27601158618927 } }, { "source": "CID:44591583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2266", "properties": { "id": "AN-2728-azelaic-acid similarity", "source_label": "AN-2728", "target_label": "azelaic-acid", "cosine_similarity": 0.1879619657993316 } }, { "source": "CID:54659344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-1457415-SA-1925610 similarity", "source_label": "SA-1457415", "target_label": "SA-1925610", "cosine_similarity": 0.292337566614151 } }, { "source": "CID:4250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "morantel-carprofen similarity", "source_label": "morantel", "target_label": "carprofen", "cosine_similarity": 0.2196897864341735 } }, { "source": "CID:44490857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442128", "properties": { "id": "SA-103123-dihydrosamidin similarity", "source_label": "SA-103123", "target_label": "dihydrosamidin", "cosine_similarity": 0.3078018128871918 } }, { "source": "CID:44630539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505769", "properties": { "id": "KU-C104256-SA-418267 similarity", "source_label": "KU-C104256", "target_label": "SA-418267", "cosine_similarity": 0.2302041500806808 } }, { "source": "CID:24094187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "UGISS-451-neratinib similarity", "source_label": "UGISS-451", "target_label": "neratinib", "cosine_similarity": 0.3422152698040008 } }, { "source": "CID:659840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5383", "properties": { "id": "vesamicol-tebuthiuron similarity", "source_label": "vesamicol", "target_label": "tebuthiuron", "cosine_similarity": 0.3356747925281524 } }, { "source": "CID:65999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "telmisartan-vinburnine similarity", "source_label": "telmisartan", "target_label": "vinburnine", "cosine_similarity": 0.3781389594078064 } }, { "source": "CID:1989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "acetohexamide-PT-630 similarity", "source_label": "acetohexamide", "target_label": "PT-630", "cosine_similarity": 0.1962790489196777 } }, { "source": "CID:2265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "azathioprine-nelfinavir similarity", "source_label": "azathioprine", "target_label": "nelfinavir", "cosine_similarity": 0.3638828694820404 } }, { "source": "CID:44629744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "KU-C104248-L-ergothioneine similarity", "source_label": "KU-C104248", "target_label": "L-ergothioneine", "cosine_similarity": 0.6163346171379089 } }, { "source": "CID:3503044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:334704", "properties": { "id": "dihydroobliquin-marmesin similarity", "source_label": "dihydroobliquin", "target_label": "marmesin", "cosine_similarity": 0.2597020864486694 } }, { "source": "CID:262093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "NSC-95397-7b-cis similarity", "source_label": "NSC-95397", "target_label": "7b-cis", "cosine_similarity": 0.6930529475212097 } }, { "source": "CID:44504286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659868", "properties": { "id": "SA-102042-SA-1459031 similarity", "source_label": "SA-102042", "target_label": "SA-1459031", "cosine_similarity": 0.338080495595932 } }, { "source": "CID:44488016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "SA-94315-rolipram similarity", "source_label": "SA-94315", "target_label": "rolipram", "cosine_similarity": 0.2733398377895355 } }, { "source": "CID:6857685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "PIK-90-ZSTK-474 similarity", "source_label": "PIK-90", "target_label": "ZSTK-474", "cosine_similarity": 0.7194700241088867 } }, { "source": "CID:24113957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "H-9-linifanib similarity", "source_label": "H-9", "target_label": "linifanib", "cosine_similarity": 0.4272076189517975 } }, { "source": "CID:4884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "pralidoxime-tipiracil similarity", "source_label": "pralidoxime", "target_label": "tipiracil", "cosine_similarity": 0.2878218293190002 } }, { "source": "CID:60194076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "MD-II-008-P-GP-42 similarity", "source_label": "MD-II-008-P", "target_label": "GP-42", "cosine_similarity": 0.7784857153892517 } }, { "source": "CID:54657713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "SA-1459963-SA-1458026 similarity", "source_label": "SA-1459963", "target_label": "SA-1458026", "cosine_similarity": 0.2508340775966644 } }, { "source": "CID:3033825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:30668", "properties": { "id": "levosimendan-lofexidine similarity", "source_label": "levosimendan", "target_label": "lofexidine", "cosine_similarity": 0.4891673028469085 } }, { "source": "CID:44489675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "EMF-BCA1-57-milnacipran similarity", "source_label": "EMF-BCA1-57", "target_label": "milnacipran", "cosine_similarity": 0.2891550064086914 } }, { "source": "CID:6610300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "dichlorobenzamil-terfenadine similarity", "source_label": "dichlorobenzamil", "target_label": "terfenadine", "cosine_similarity": 0.6195566654205322 } }, { "source": "CID:95801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "BTS-butylated-hydroxytoluene similarity", "source_label": "BTS", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.6255391836166382 } }, { "source": "CID:4409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "nabumetone-orciprenaline similarity", "source_label": "nabumetone", "target_label": "orciprenaline", "cosine_similarity": 0.312015563249588 } }, { "source": "CID:5312529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "eicosatrienoic-acid-DAC-012 similarity", "source_label": "eicosatrienoic-acid", "target_label": "DAC-012", "cosine_similarity": 0.3296130299568176 } }, { "source": "CID:60186762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-1939126-SA-97378 similarity", "source_label": "SA-1939126", "target_label": "SA-97378", "cosine_similarity": 0.3817174732685089 } }, { "source": "CID:73707575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10081070", "properties": { "id": "MK-801-butyrolactone similarity", "source_label": "MK-801", "target_label": "butyrolactone", "cosine_similarity": 0.2391301691532135 } }, { "source": "CID:2799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54671008", "properties": { "id": "clofoctol-raltegravir similarity", "source_label": "clofoctol", "target_label": "raltegravir", "cosine_similarity": 0.4144811034202575 } }, { "source": "CID:123692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "CS-110266-herniarin similarity", "source_label": "CS-110266", "target_label": "herniarin", "cosine_similarity": 0.2465184032917022 } }, { "source": "CID:1379247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "DAC-004-nadolol similarity", "source_label": "DAC-004", "target_label": "nadolol", "cosine_similarity": 0.398863136768341 } }, { "source": "CID:4336830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10745", "properties": { "id": "SC-19220-acetylsalicylsalicylic-acid similarity", "source_label": "SC-19220", "target_label": "acetylsalicylsalicylic-acid", "cosine_similarity": 0.2349739968776703 } }, { "source": "CID:6444692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4449", "properties": { "id": "mubritinib-nefazodone similarity", "source_label": "mubritinib", "target_label": "nefazodone", "cosine_similarity": 0.3082174062728882 } }, { "source": "CID:11570626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:864", "properties": { "id": "MK-0893-thioctic-acid similarity", "source_label": "MK-0893", "target_label": "thioctic-acid", "cosine_similarity": 0.3794292509555816 } }, { "source": "CID:5756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "estriol-phenformin similarity", "source_label": "estriol", "target_label": "phenformin", "cosine_similarity": 0.3857374787330627 } }, { "source": "CID:2820696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8357", "properties": { "id": "KM-04644SC-eudesmic-acid similarity", "source_label": "KM-04644SC", "target_label": "eudesmic-acid", "cosine_similarity": 0.284897893667221 } }, { "source": "CID:5482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11249248", "properties": { "id": "tioconazole-BMS-299897 similarity", "source_label": "tioconazole", "target_label": "BMS-299897", "cosine_similarity": 0.3352122902870178 } }, { "source": "CID:183470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760692", "properties": { "id": "U-54494A-U-0124 similarity", "source_label": "U-54494A", "target_label": "U-0124", "cosine_similarity": 0.2852270305156708 } }, { "source": "CID:25182616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "GSK-1838705A-ruxolitinib similarity", "source_label": "GSK-1838705A", "target_label": "ruxolitinib", "cosine_similarity": 0.3206968903541565 } }, { "source": "CID:2549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "capsazepine-K784-3188 similarity", "source_label": "capsazepine", "target_label": "K784-3188", "cosine_similarity": 0.6258073449134827 } }, { "source": "CID:10081070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "butyrolactone-LY-255283 similarity", "source_label": "butyrolactone", "target_label": "LY-255283", "cosine_similarity": 0.2875437140464782 } }, { "source": "CID:435678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:237", "properties": { "id": "HLI-373-mepacrine similarity", "source_label": "HLI-373", "target_label": "mepacrine", "cosine_similarity": 0.5611971616744995 } }, { "source": "CID:439533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "taxifolin-FTI-276 similarity", "source_label": "taxifolin", "target_label": "FTI-276", "cosine_similarity": 0.2723675966262817 } }, { "source": "CID:24794418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "BMS-777607-ABT-202 similarity", "source_label": "BMS-777607", "target_label": "ABT-202", "cosine_similarity": 0.3907779455184936 } }, { "source": "CID:9444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "azacitidine-sorafenib similarity", "source_label": "azacitidine", "target_label": "sorafenib", "cosine_similarity": 0.5714410543441772 } }, { "source": "CID:65854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "anpirtoline-XAV-939 similarity", "source_label": "anpirtoline", "target_label": "XAV-939", "cosine_similarity": 0.2608348429203033 } }, { "source": "CID:4698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68873", "properties": { "id": "PCA-4248-drospirenone similarity", "source_label": "PCA-4248", "target_label": "drospirenone", "cosine_similarity": 0.2116745561361313 } }, { "source": "CID:6610337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "dibutyrylcyclic-gmp-GW-501516 similarity", "source_label": "dibutyrylcyclic-gmp", "target_label": "GW-501516", "cosine_similarity": 0.2576969563961029 } }, { "source": "CID:151819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "BL-050-Gly-Gly-PALO similarity", "source_label": "BL-050", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2973657548427582 } }, { "source": "CID:2763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4631", "properties": { "id": "ciprofibrate-oxprenolol similarity", "source_label": "ciprofibrate", "target_label": "oxprenolol", "cosine_similarity": 0.2565987706184387 } }, { "source": "CID:5281672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "myricetin-zebularine similarity", "source_label": "myricetin", "target_label": "zebularine", "cosine_similarity": 0.4441229104995727 } }, { "source": "CID:119192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5383", "properties": { "id": "SR-48692-tebuthiuron similarity", "source_label": "SR-48692", "target_label": "tebuthiuron", "cosine_similarity": 0.1978880763053894 } }, { "source": "CID:24871506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "RVX-208-PF-04620110 similarity", "source_label": "RVX-208", "target_label": "PF-04620110", "cosine_similarity": 0.2946735322475433 } }, { "source": "CID:9830392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "WAY-170523-VU-0418947-2 similarity", "source_label": "WAY-170523", "target_label": "VU-0418947-2", "cosine_similarity": 0.582495927810669 } }, { "source": "CID:15330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119565", "properties": { "id": "levopropoxyphene-l-bso similarity", "source_label": "levopropoxyphene", "target_label": "l-bso", "cosine_similarity": 0.2758537828922272 } }, { "source": "CID:54666820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-1921996-SA-1459849 similarity", "source_label": "SA-1921996", "target_label": "SA-1459849", "cosine_similarity": 0.3548628091812134 } }, { "source": "CID:57345410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "EPZ-5676-DL-TBOA similarity", "source_label": "EPZ-5676", "target_label": "DL-TBOA", "cosine_similarity": 0.3092884719371795 } }, { "source": "CID:73707462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3394", "properties": { "id": "alfadolone-flurbiprofen similarity", "source_label": "alfadolone", "target_label": "flurbiprofen", "cosine_similarity": 0.2301626056432724 } }, { "source": "CID:1370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "CX-516-aminoglutethimide similarity", "source_label": "CX-516", "target_label": "aminoglutethimide", "cosine_similarity": 0.4473045766353607 } }, { "source": "CID:73707438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707606", "properties": { "id": "YL-54-oxetane similarity", "source_label": "YL-54", "target_label": "oxetane", "cosine_similarity": 0.2883014380931854 } }, { "source": "CID:104858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:30951", "properties": { "id": "S-nitrosoglutathione-alclofenac similarity", "source_label": "S-nitrosoglutathione", "target_label": "alclofenac", "cosine_similarity": 0.2988372445106506 } }, { "source": "CID:46897843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "VU-0420364-1-BMS-345541 similarity", "source_label": "VU-0420364-1", "target_label": "BMS-345541", "cosine_similarity": 0.3700996339321136 } }, { "source": "CID:156414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "canertinib-neratinib similarity", "source_label": "canertinib", "target_label": "neratinib", "cosine_similarity": 0.4922975897789001 } }, { "source": "CID:68827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:139032007", "properties": { "id": "artemisinin-avermectin similarity", "source_label": "artemisinin", "target_label": "avermectin", "cosine_similarity": 0.2340750992298126 } }, { "source": "CID:6337614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "palonosetron-phenylbutazone similarity", "source_label": "palonosetron", "target_label": "phenylbutazone", "cosine_similarity": 0.3681557178497314 } }, { "source": "CID:11857239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11154555", "properties": { "id": "narlaprevir-cariprazine similarity", "source_label": "narlaprevir", "target_label": "cariprazine", "cosine_similarity": 0.3088839054107666 } }, { "source": "CID:4075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "mesalazine-MW-STK33-2B similarity", "source_label": "mesalazine", "target_label": "MW-STK33-2B", "cosine_similarity": 0.2134369164705276 } }, { "source": "CID:54614219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659344", "properties": { "id": "SA-441092-SA-1457415 similarity", "source_label": "SA-441092", "target_label": "SA-1457415", "cosine_similarity": 0.3701049089431762 } }, { "source": "CID:5509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2182", "properties": { "id": "tolmetin-anagrelide similarity", "source_label": "tolmetin", "target_label": "anagrelide", "cosine_similarity": 0.219570055603981 } }, { "source": "CID:4943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "propofol-PRIMA1 similarity", "source_label": "propofol", "target_label": "PRIMA1", "cosine_similarity": 0.2593803107738495 } }, { "source": "CID:11228183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "ABT-737-thapsigargin similarity", "source_label": "ABT-737", "target_label": "thapsigargin", "cosine_similarity": 0.5018389225006104 } }, { "source": "CID:5311451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "SR-142948-PF-04217903 similarity", "source_label": "SR-142948", "target_label": "PF-04217903", "cosine_similarity": 0.2442287057638168 } }, { "source": "CID:60190124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618017", "properties": { "id": "SA-1939007-SA-427137 similarity", "source_label": "SA-1939007", "target_label": "SA-427137", "cosine_similarity": 0.2972418367862701 } }, { "source": "CID:4908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10235", "properties": { "id": "primaquine-cytisine similarity", "source_label": "primaquine", "target_label": "cytisine", "cosine_similarity": 0.5146205425262451 } }, { "source": "CID:23748533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ML-3163-gossypin similarity", "source_label": "ML-3163", "target_label": "gossypin", "cosine_similarity": 0.2359296679496765 } }, { "source": "CID:139032029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:230748", "properties": { "id": "amphotericin-b-INCA-6 similarity", "source_label": "amphotericin-b", "target_label": "INCA-6", "cosine_similarity": 0.202576607465744 } }, { "source": "CID:2129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "AM-92016-nilvadipine similarity", "source_label": "AM-92016", "target_label": "nilvadipine", "cosine_similarity": 0.3479373753070831 } }, { "source": "CID:46233311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:363863", "properties": { "id": "GSK-0660-maackiain similarity", "source_label": "GSK-0660", "target_label": "maackiain", "cosine_similarity": 0.2717783153057098 } }, { "source": "CID:43345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441594", "properties": { "id": "P-1075-hippeastrine similarity", "source_label": "P-1075", "target_label": "hippeastrine", "cosine_similarity": 0.3055156469345093 } }, { "source": "CID:5339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:198693", "properties": { "id": "sulfasalazine-CI-966 similarity", "source_label": "sulfasalazine", "target_label": "CI-966", "cosine_similarity": 0.3290790319442749 } }, { "source": "CID:5452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "thioridazine-BIBU-1361 similarity", "source_label": "thioridazine", "target_label": "BIBU-1361", "cosine_similarity": 0.6657078266143799 } }, { "source": "CID:3598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "hexachlorophene-FCCP similarity", "source_label": "hexachlorophene", "target_label": "FCCP", "cosine_similarity": 0.7034851312637329 } }, { "source": "CID:16094766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2063", "properties": { "id": "GP-2a-tyrphostin-1 similarity", "source_label": "GP-2a", "target_label": "tyrphostin-1", "cosine_similarity": 0.2420084178447723 } }, { "source": "CID:25062766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46220502", "properties": { "id": "CYT-387-LY-2835219 similarity", "source_label": "CYT-387", "target_label": "LY-2835219", "cosine_similarity": 0.4563415050506592 } }, { "source": "CID:4043357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "hemado-gliclazide similarity", "source_label": "hemado", "target_label": "gliclazide", "cosine_similarity": 0.4422803819179535 } }, { "source": "CID:659840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "vesamicol-Gossypetin similarity", "source_label": "vesamicol", "target_label": "Gossypetin", "cosine_similarity": 0.3596355617046356 } }, { "source": "CID:3607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "hexetidine-remacemide similarity", "source_label": "hexetidine", "target_label": "remacemide", "cosine_similarity": 0.3117789626121521 } }, { "source": "CID:5717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "zafirlukast-terbinafine similarity", "source_label": "zafirlukast", "target_label": "terbinafine", "cosine_similarity": 0.3458662033081054 } }, { "source": "CID:4912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "probucol-SB-683698 similarity", "source_label": "probucol", "target_label": "SB-683698", "cosine_similarity": 0.4761964976787567 } }, { "source": "CID:44489454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "SA-84902-Gossypetin similarity", "source_label": "SA-84902", "target_label": "Gossypetin", "cosine_similarity": 0.2776478826999664 } }, { "source": "CID:3290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "profenamine-amiodarone similarity", "source_label": "profenamine", "target_label": "amiodarone", "cosine_similarity": 0.4040237367153168 } }, { "source": "CID:5202074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329255", "properties": { "id": "MRS-1845-bis-tyrphostin similarity", "source_label": "MRS-1845", "target_label": "bis-tyrphostin", "cosine_similarity": 0.3019120693206787 } }, { "source": "CID:5280863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123606", "properties": { "id": "kaempferol-almotriptan similarity", "source_label": "kaempferol", "target_label": "almotriptan", "cosine_similarity": 0.2654420137405395 } }, { "source": "CID:122162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "luzindole-ML-161 similarity", "source_label": "luzindole", "target_label": "ML-161", "cosine_similarity": 0.287167489528656 } }, { "source": "CID:70680404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "AT1-SHH-09-EMF-csc-9 similarity", "source_label": "AT1-SHH-09", "target_label": "EMF-csc-9", "cosine_similarity": 0.3767504692077636 } }, { "source": "CID:2481", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "butalbital-FTI-276 similarity", "source_label": "butalbital", "target_label": "FTI-276", "cosine_similarity": 0.2577714323997497 } }, { "source": "CID:2467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "buflomedil-orciprenaline similarity", "source_label": "buflomedil", "target_label": "orciprenaline", "cosine_similarity": 0.3056039810180664 } }, { "source": "CID:3730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "iohexol-thalidomide similarity", "source_label": "iohexol", "target_label": "thalidomide", "cosine_similarity": 0.1950810253620147 } }, { "source": "CID:5702090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "naloxone-rolipram similarity", "source_label": "naloxone", "target_label": "rolipram", "cosine_similarity": 0.4390600025653839 } }, { "source": "CID:5572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "trihexyphenidyl-MW-STK33-100 similarity", "source_label": "trihexyphenidyl", "target_label": "MW-STK33-100", "cosine_similarity": 0.2425835281610489 } }, { "source": "CID:42633508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "VU-0238429-NMS-1286937 similarity", "source_label": "VU-0238429", "target_label": "NMS-1286937", "cosine_similarity": 0.4462148547172546 } }, { "source": "CID:16760027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4485", "properties": { "id": "BML-259-nifedipine similarity", "source_label": "BML-259", "target_label": "nifedipine", "cosine_similarity": 0.5911322832107544 } }, { "source": "CID:183470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492086", "properties": { "id": "U-54494A-SD-8-006 similarity", "source_label": "U-54494A", "target_label": "SD-8-006", "cosine_similarity": 0.2502833008766174 } }, { "source": "CID:55283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4534086", "properties": { "id": "itraconazole-KB-R7943 similarity", "source_label": "itraconazole", "target_label": "KB-R7943", "cosine_similarity": 0.3439416587352752 } }, { "source": "CID:10343454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4485", "properties": { "id": "vercirnon-nifedipine similarity", "source_label": "vercirnon", "target_label": "nifedipine", "cosine_similarity": 0.1488008648157119 } }, { "source": "CID:3157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11973736", "properties": { "id": "doxazosin-TG-100801 similarity", "source_label": "doxazosin", "target_label": "TG-100801", "cosine_similarity": 0.4914453029632568 } }, { "source": "CID:11646777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4633", "properties": { "id": "LY-2334737-oxybuprocaine similarity", "source_label": "LY-2334737", "target_label": "oxybuprocaine", "cosine_similarity": 0.2993179857730865 } }, { "source": "CID:11442891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191454", "properties": { "id": "danusertib-PHA-793887 similarity", "source_label": "danusertib", "target_label": "PHA-793887", "cosine_similarity": 0.4473713040351867 } }, { "source": "CID:9834591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "LY-2140023-ABT-751 similarity", "source_label": "LY-2140023", "target_label": "ABT-751", "cosine_similarity": 0.420208603143692 } }, { "source": "CID:10251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "flavanone-gossypin similarity", "source_label": "flavanone", "target_label": "gossypin", "cosine_similarity": 0.3018196225166321 } }, { "source": "CID:9823820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "lenvatinib-rifabutin similarity", "source_label": "lenvatinib", "target_label": "rifabutin", "cosine_similarity": 0.5132920742034912 } }, { "source": "CID:24780598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7073234", "properties": { "id": "danirixin-catharanthine similarity", "source_label": "danirixin", "target_label": "catharanthine", "cosine_similarity": 0.158151164650917 } }, { "source": "CID:16760141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "moxidectin-milrinone similarity", "source_label": "moxidectin", "target_label": "milrinone", "cosine_similarity": 0.4792535305023193 } }, { "source": "CID:45006157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109823", "properties": { "id": "altrenogest-AS-601245 similarity", "source_label": "altrenogest", "target_label": "AS-601245", "cosine_similarity": 0.2730616629123688 } }, { "source": "CID:44489343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5479", "properties": { "id": "SA-425929-tinidazole similarity", "source_label": "SA-425929", "target_label": "tinidazole", "cosine_similarity": 0.2752331793308258 } }, { "source": "CID:5320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281750", "properties": { "id": "sulfacetamide-seneciphylline similarity", "source_label": "sulfacetamide", "target_label": "seneciphylline", "cosine_similarity": 0.3191694915294647 } }, { "source": "CID:800654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "ARG-A1-22-MD-049 similarity", "source_label": "ARG-A1-22", "target_label": "MD-049", "cosine_similarity": 0.3283422887325287 } }, { "source": "CID:127404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "isamoltane-zebularine similarity", "source_label": "isamoltane", "target_label": "zebularine", "cosine_similarity": 0.2619580626487732 } }, { "source": "CID:3219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "emedastine-alaproclate similarity", "source_label": "emedastine", "target_label": "alaproclate", "cosine_similarity": 0.5346607565879822 } }, { "source": "CID:9223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:243", "properties": { "id": "benzofuran-benzoic-acid similarity", "source_label": "benzofuran", "target_label": "benzoic-acid", "cosine_similarity": 0.3097456991672516 } }, { "source": "CID:135886614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "BG-1018-tetrahydrouridine similarity", "source_label": "BG-1018", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3417291641235351 } }, { "source": "CID:4066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "levomequitazine-molsidomine similarity", "source_label": "levomequitazine", "target_label": "molsidomine", "cosine_similarity": 0.2885990440845489 } }, { "source": "CID:73707346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "pyrvinium-heliomycin similarity", "source_label": "pyrvinium", "target_label": "heliomycin", "cosine_similarity": 0.5049126148223877 } }, { "source": "CID:2803059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853908", "properties": { "id": "CD-00491SC-SA-3676 similarity", "source_label": "CD-00491SC", "target_label": "SA-3676", "cosine_similarity": 0.2028611451387405 } }, { "source": "CID:46926574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24094067", "properties": { "id": "MW-A1-18-I-303059 similarity", "source_label": "MW-A1-18", "target_label": "I-303059", "cosine_similarity": 0.28999924659729 } }, { "source": "CID:53382764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-1459213-SA-1455938 similarity", "source_label": "SA-1459213", "target_label": "SA-1455938", "cosine_similarity": 0.4773198664188385 } }, { "source": "CID:3973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "LY-294002-GSK-1059615 similarity", "source_label": "LY-294002", "target_label": "GSK-1059615", "cosine_similarity": 0.6430734992027283 } }, { "source": "CID:3517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "guanabenz-VU-0405172-2 similarity", "source_label": "guanabenz", "target_label": "VU-0405172-2", "cosine_similarity": 0.3621293306350708 } }, { "source": "CID:2736690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088438", "properties": { "id": "IBC-293-ML-130 similarity", "source_label": "IBC-293", "target_label": "ML-130", "cosine_similarity": 0.2727194130420685 } }, { "source": "CID:57469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "imiquimod-AICA-ribonucleotide similarity", "source_label": "imiquimod", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.4118215143680572 } }, { "source": "CID:44483281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25124826", "properties": { "id": "GW-4064-PSB-06126 similarity", "source_label": "GW-4064", "target_label": "PSB-06126", "cosine_similarity": 0.2092746943235397 } }, { "source": "CID:16231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "amiloride-cianidanol similarity", "source_label": "amiloride", "target_label": "cianidanol", "cosine_similarity": 0.3777068853378296 } }, { "source": "CID:72947410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "MD-II-051-GP-42 similarity", "source_label": "MD-II-051", "target_label": "GP-42", "cosine_similarity": 0.8007804155349731 } }, { "source": "CID:10479060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "BAY-59-3074-SMER-28 similarity", "source_label": "BAY-59-3074", "target_label": "SMER-28", "cosine_similarity": 0.2488533407449722 } }, { "source": "CID:73707421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "ascorbic-acid-anethole similarity", "source_label": "ascorbic-acid", "target_label": "anethole", "cosine_similarity": 0.249255284667015 } }, { "source": "CID:44246708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "minocycline-erlotinib similarity", "source_label": "minocycline", "target_label": "erlotinib", "cosine_similarity": 0.3234455585479736 } }, { "source": "CID:11249248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "BMS-299897-myriocin similarity", "source_label": "BMS-299897", "target_label": "myriocin", "cosine_similarity": 0.3488122522830963 } }, { "source": "CID:60651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "marbofloxacin-orciprenaline similarity", "source_label": "marbofloxacin", "target_label": "orciprenaline", "cosine_similarity": 0.5943421721458435 } }, { "source": "CID:73707437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24733", "properties": { "id": "YL-53-alfadolone-acetate similarity", "source_label": "YL-53", "target_label": "alfadolone-acetate", "cosine_similarity": 0.2451214045286178 } }, { "source": "CID:2148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72894", "properties": { "id": "aminohippuric-acid-2-aminobenzenesulfonamide similarity", "source_label": "aminohippuric-acid", "target_label": "2-aminobenzenesulfonamide", "cosine_similarity": 0.2917101383209228 } }, { "source": "CID:3454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9690109", "properties": { "id": "ganciclovir-armodafinil similarity", "source_label": "ganciclovir", "target_label": "armodafinil", "cosine_similarity": 0.2749490737915039 } }, { "source": "CID:936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "nicotinamide-ABT-202 similarity", "source_label": "nicotinamide", "target_label": "ABT-202", "cosine_similarity": 0.4227054417133331 } }, { "source": "CID:51634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978813", "properties": { "id": "miglustat-brexpiprazole similarity", "source_label": "miglustat", "target_label": "brexpiprazole", "cosine_similarity": 0.4136489927768707 } }, { "source": "CID:6445562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "pelitinib-afatinib similarity", "source_label": "pelitinib", "target_label": "afatinib", "cosine_similarity": 0.7214495539665222 } }, { "source": "CID:2724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "chlorphensin-hydroxyamphetamine similarity", "source_label": "chlorphensin", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.3148782253265381 } }, { "source": "CID:44628955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926575", "properties": { "id": "foxy-5-MW-A1-14 similarity", "source_label": "foxy-5", "target_label": "MW-A1-14", "cosine_similarity": 0.2098061740398407 } }, { "source": "CID:46199207", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "stemregenin-1-sorafenib similarity", "source_label": "stemregenin-1", "target_label": "sorafenib", "cosine_similarity": 0.3416119813919067 } }, { "source": "CID:54657713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "SA-1459963-FPL-62064 similarity", "source_label": "SA-1459963", "target_label": "FPL-62064", "cosine_similarity": 0.2657963633537292 } }, { "source": "CID:3406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "fomepizole-losmapimod similarity", "source_label": "fomepizole", "target_label": "losmapimod", "cosine_similarity": 0.4167547523975372 } }, { "source": "CID:3658", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "hydroxyzine-fisetin similarity", "source_label": "hydroxyzine", "target_label": "fisetin", "cosine_similarity": 0.3693686127662658 } }, { "source": "CID:6708762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "periplocymarin-proscillaridin similarity", "source_label": "periplocymarin", "target_label": "proscillaridin", "cosine_similarity": 0.7785980701446533 } }, { "source": "CID:2540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "candesartan-cilextil-methapyrilene similarity", "source_label": "candesartan-cilextil", "target_label": "methapyrilene", "cosine_similarity": 0.2510533034801483 } }, { "source": "CID:19529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4429", "properties": { "id": "diloxanide-naltriben similarity", "source_label": "diloxanide", "target_label": "naltriben", "cosine_similarity": 0.2174576520919799 } }, { "source": "CID:44616686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494424", "properties": { "id": "SA-441487-SA-103021 similarity", "source_label": "SA-441487", "target_label": "SA-103021", "cosine_similarity": 0.3315665423870086 } }, { "source": "CID:51683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "swainsonine-rilmenidine similarity", "source_label": "swainsonine", "target_label": "rilmenidine", "cosine_similarity": 0.5116500854492188 } }, { "source": "CID:1225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "SKF-82958-TUL-XX025TFA similarity", "source_label": "SKF-82958", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2292812615633011 } }, { "source": "CID:2984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5468216", "properties": { "id": "denbufylline-RG-13022 similarity", "source_label": "denbufylline", "target_label": "RG-13022", "cosine_similarity": 0.282341331243515 } }, { "source": "CID:10748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "herniarin-PSB-069 similarity", "source_label": "herniarin", "target_label": "PSB-069", "cosine_similarity": 0.3544605374336242 } }, { "source": "CID:71748056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "QL-XII-47-cephaeline similarity", "source_label": "QL-XII-47", "target_label": "cephaeline", "cosine_similarity": 0.7082842588424683 } }, { "source": "CID:50997747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362116", "properties": { "id": "DMH1-delapril similarity", "source_label": "DMH1", "target_label": "delapril", "cosine_similarity": 0.2575209736824035 } }, { "source": "CID:3394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "flurbiprofen-phenothiazine similarity", "source_label": "flurbiprofen", "target_label": "phenothiazine", "cosine_similarity": 0.2978783547878265 } }, { "source": "CID:11552757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "LY-2365109-methocarbamol similarity", "source_label": "LY-2365109", "target_label": "methocarbamol", "cosine_similarity": 0.4059365093708038 } }, { "source": "CID:73707393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "GP-42-SA-1447005 similarity", "source_label": "GP-42", "target_label": "SA-1447005", "cosine_similarity": 0.7866986989974976 } }, { "source": "CID:5361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62872", "properties": { "id": "suramin-aminobenztropine similarity", "source_label": "suramin", "target_label": "aminobenztropine", "cosine_similarity": 0.3069106638431549 } }, { "source": "CID:2431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "bretylium-DAC-003 similarity", "source_label": "bretylium", "target_label": "DAC-003", "cosine_similarity": 0.2419816851615905 } }, { "source": "CID:65957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "pazufloxacin-cholic-acid similarity", "source_label": "pazufloxacin", "target_label": "cholic-acid", "cosine_similarity": 0.3459156453609466 } }, { "source": "CID:5311217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "lacidipine-tyrphostin-A9 similarity", "source_label": "lacidipine", "target_label": "tyrphostin-A9", "cosine_similarity": 0.3294702470302582 } }, { "source": "CID:10022508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "MDM2-inhibitor-cerulenin similarity", "source_label": "MDM2-inhibitor", "target_label": "cerulenin", "cosine_similarity": 0.3193180561065674 } }, { "source": "CID:44229302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "RAN-05-NNC-55-0396 similarity", "source_label": "RAN-05", "target_label": "NNC-55-0396", "cosine_similarity": 0.376177579164505 } }, { "source": "CID:5702003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "mitomycin-c-clofarabine similarity", "source_label": "mitomycin-c", "target_label": "clofarabine", "cosine_similarity": 0.7030609846115112 } }, { "source": "CID:60149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "sertindole-wortmannin similarity", "source_label": "sertindole", "target_label": "wortmannin", "cosine_similarity": 0.3811288774013519 } }, { "source": "CID:73707350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "BG-1029-HC-toxin similarity", "source_label": "BG-1029", "target_label": "HC-toxin", "cosine_similarity": 0.5678017735481262 } }, { "source": "CID:54657728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657716", "properties": { "id": "SA-1459224-SA-1457472 similarity", "source_label": "SA-1459224", "target_label": "SA-1457472", "cosine_similarity": 0.3101117312908172 } }, { "source": "CID:60184097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-1938421-SA-1938867 similarity", "source_label": "SA-1938421", "target_label": "SA-1938867", "cosine_similarity": 0.3918604254722595 } }, { "source": "CID:39981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "sparfosic-acid-Gly-Gly-PALO similarity", "source_label": "sparfosic-acid", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4774373769760132 } }, { "source": "CID:1329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "DPCPX-cilomilast similarity", "source_label": "DPCPX", "target_label": "cilomilast", "cosine_similarity": 0.4807840883731842 } }, { "source": "CID:2431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449215", "properties": { "id": "bretylium-cycloserine similarity", "source_label": "bretylium", "target_label": "cycloserine", "cosine_similarity": 0.2441354393959045 } }, { "source": "CID:3428129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "ichthynone-L-ergothioneine similarity", "source_label": "ichthynone", "target_label": "L-ergothioneine", "cosine_similarity": 0.3448175191879272 } }, { "source": "CID:57519544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:790", "properties": { "id": "wnt-c59-hypoxanthine similarity", "source_label": "wnt-c59", "target_label": "hypoxanthine", "cosine_similarity": 0.4396713674068451 } }, { "source": "CID:1893730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11224409", "properties": { "id": "XL-147-radezolid similarity", "source_label": "XL-147", "target_label": "radezolid", "cosine_similarity": 0.2844399511814117 } }, { "source": "CID:60857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:260972", "properties": { "id": "zolmitriptan-EMF-sumo1-8 similarity", "source_label": "zolmitriptan", "target_label": "EMF-sumo1-8", "cosine_similarity": 0.3152096569538116 } }, { "source": "CID:16219259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53340666", "properties": { "id": "depudecin-ACY-1215 similarity", "source_label": "depudecin", "target_label": "ACY-1215", "cosine_similarity": 0.2756226360797882 } }, { "source": "CID:49849909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "DM-161-Gossypetin similarity", "source_label": "DM-161", "target_label": "Gossypetin", "cosine_similarity": 0.3519627153873443 } }, { "source": "CID:6603827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "N20C-sparfloxacin similarity", "source_label": "N20C", "target_label": "sparfloxacin", "cosine_similarity": 0.185129165649414 } }, { "source": "CID:73707398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "MD-040-MD-II-008-P similarity", "source_label": "MD-040", "target_label": "MD-II-008-P", "cosine_similarity": 0.5095520615577698 } }, { "source": "CID:121878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "Y-26763-dorzolamide similarity", "source_label": "Y-26763", "target_label": "dorzolamide", "cosine_similarity": 0.4775994122028351 } }, { "source": "CID:46780805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "bimatoprost-DPCPX similarity", "source_label": "bimatoprost", "target_label": "DPCPX", "cosine_similarity": 0.2482374608516693 } }, { "source": "CID:60726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "bromfenac-methapyrilene similarity", "source_label": "bromfenac", "target_label": "methapyrilene", "cosine_similarity": 0.2607252299785614 } }, { "source": "CID:2878746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "STK-064652-mestranol similarity", "source_label": "STK-064652", "target_label": "mestranol", "cosine_similarity": 0.3226991891860962 } }, { "source": "CID:1189521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "MW-MITF9-zebularine similarity", "source_label": "MW-MITF9", "target_label": "zebularine", "cosine_similarity": 0.3932194709777832 } }, { "source": "CID:3080836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "clonixin-lysinate-azathioprine similarity", "source_label": "clonixin-lysinate", "target_label": "azathioprine", "cosine_similarity": 0.2039980739355087 } }, { "source": "CID:16760044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "latrunculin-b-wortmannin similarity", "source_label": "latrunculin-b", "target_label": "wortmannin", "cosine_similarity": 0.5600570440292358 } }, { "source": "CID:44507272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "K1448-tacedinaline similarity", "source_label": "K1448", "target_label": "tacedinaline", "cosine_similarity": 0.2307130098342895 } }, { "source": "CID:71234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "nicaraven-cabergoline similarity", "source_label": "nicaraven", "target_label": "cabergoline", "cosine_similarity": 0.4531889855861664 } }, { "source": "CID:4708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "PD-168393-TAK-733 similarity", "source_label": "PD-168393", "target_label": "TAK-733", "cosine_similarity": 0.5236598253250122 } }, { "source": "CID:44240264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "SRT-1720-CAY-10594 similarity", "source_label": "SRT-1720", "target_label": "CAY-10594", "cosine_similarity": 0.5075611472129822 } }, { "source": "CID:3941250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "nitrocaramiphen-zebularine similarity", "source_label": "nitrocaramiphen", "target_label": "zebularine", "cosine_similarity": 0.3134515881538391 } }, { "source": "CID:9416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "testosterone-enanthate-PSH-028 similarity", "source_label": "testosterone-enanthate", "target_label": "PSH-028", "cosine_similarity": 0.1458698958158493 } }, { "source": "CID:9907323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56959", "properties": { "id": "cutamesine-ranolazine similarity", "source_label": "cutamesine", "target_label": "ranolazine", "cosine_similarity": 0.2439348846673965 } }, { "source": "CID:4938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "propentofylline-oxiconazole similarity", "source_label": "propentofylline", "target_label": "oxiconazole", "cosine_similarity": 0.449410080909729 } }, { "source": "CID:10660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "dimenhydrinate-bemegride similarity", "source_label": "dimenhydrinate", "target_label": "bemegride", "cosine_similarity": 0.181043803691864 } }, { "source": "CID:3034010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "orlistat-atorvastatin similarity", "source_label": "orlistat", "target_label": "atorvastatin", "cosine_similarity": 0.5629882216453552 } }, { "source": "CID:20507134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "isoxicam-evodiamine similarity", "source_label": "isoxicam", "target_label": "evodiamine", "cosine_similarity": 0.2887753248214721 } }, { "source": "CID:213039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "darunavir-ipratropium similarity", "source_label": "darunavir", "target_label": "ipratropium", "cosine_similarity": 0.3796416819095611 } }, { "source": "CID:1201549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "benzatropine-meclofenamic-acid similarity", "source_label": "benzatropine", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2706186771392822 } }, { "source": "CID:4044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "mefenamic-acid-thiotepa similarity", "source_label": "mefenamic-acid", "target_label": "thiotepa", "cosine_similarity": 0.2492746710777282 } }, { "source": "CID:4754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "phenacetin-rolipram similarity", "source_label": "phenacetin", "target_label": "rolipram", "cosine_similarity": 0.2912348806858063 } }, { "source": "CID:161591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "chaetocin-pifithrin-mu similarity", "source_label": "chaetocin", "target_label": "pifithrin-mu", "cosine_similarity": 0.6139352321624756 } }, { "source": "CID:46239015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67077825", "properties": { "id": "SCH-900776-AZD-7762 similarity", "source_label": "SCH-900776", "target_label": "AZD-7762", "cosine_similarity": 0.2444186955690384 } }, { "source": "CID:12791166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "ketocholesterol-fatostatin similarity", "source_label": "ketocholesterol", "target_label": "fatostatin", "cosine_similarity": 0.2209119945764541 } }, { "source": "CID:5908088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "oxindole-I-KO-143 similarity", "source_label": "oxindole-I", "target_label": "KO-143", "cosine_similarity": 0.2720330953598022 } }, { "source": "CID:56599293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16038120", "properties": { "id": "AZD-3463-NVP-TAE684 similarity", "source_label": "AZD-3463", "target_label": "NVP-TAE684", "cosine_similarity": 0.4522857367992401 } }, { "source": "CID:24988881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "MK-8245-emtricitabine similarity", "source_label": "MK-8245", "target_label": "emtricitabine", "cosine_similarity": 0.3698168098926544 } }, { "source": "CID:6129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "carbaryl-SA-101776 similarity", "source_label": "carbaryl", "target_label": "SA-101776", "cosine_similarity": 0.2819895148277282 } }, { "source": "CID:9884817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4065", "properties": { "id": "GR-79236-meprylcaine similarity", "source_label": "GR-79236", "target_label": "meprylcaine", "cosine_similarity": 0.2729508280754089 } }, { "source": "CID:46912230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "SB-2343-NVP-BEZ235 similarity", "source_label": "SB-2343", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7181684970855713 } }, { "source": "CID:73707561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657758", "properties": { "id": "desmethyl-DASB-SA-1459020 similarity", "source_label": "desmethyl-DASB", "target_label": "SA-1459020", "cosine_similarity": 0.1735245734453201 } }, { "source": "CID:129360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "L-670596-azathioprine similarity", "source_label": "L-670596", "target_label": "azathioprine", "cosine_similarity": 0.26346555352211 } }, { "source": "CID:10370504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "UK-356618-PAC-1 similarity", "source_label": "UK-356618", "target_label": "PAC-1", "cosine_similarity": 0.556618869304657 } }, { "source": "CID:3682562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7791937", "properties": { "id": "BG-1001-BG-1022 similarity", "source_label": "BG-1001", "target_label": "BG-1022", "cosine_similarity": 0.2456991970539093 } }, { "source": "CID:42617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489343", "properties": { "id": "clavulanic-acid-SA-425929 similarity", "source_label": "clavulanic-acid", "target_label": "SA-425929", "cosine_similarity": 0.2377902418375015 } }, { "source": "CID:4369270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "digitoxigenin-proscillaridin similarity", "source_label": "digitoxigenin", "target_label": "proscillaridin", "cosine_similarity": 0.8384453058242798 } }, { "source": "CID:457964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "aphidicolin-floxuridine similarity", "source_label": "aphidicolin", "target_label": "floxuridine", "cosine_similarity": 0.5985730886459351 } }, { "source": "CID:5311452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "SR-59230A-fluvastatin similarity", "source_label": "SR-59230A", "target_label": "fluvastatin", "cosine_similarity": 0.3141171038150787 } }, { "source": "CID:5745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "cortisone-acetate-flutamide similarity", "source_label": "cortisone-acetate", "target_label": "flutamide", "cosine_similarity": 0.3511627316474914 } }, { "source": "CID:4084010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "EMF-sumo1-1-rilmenidine similarity", "source_label": "EMF-sumo1-1", "target_label": "rilmenidine", "cosine_similarity": 0.2578029036521911 } }, { "source": "CID:24965990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44557636", "properties": { "id": "suvorexant-dipraglurant similarity", "source_label": "suvorexant", "target_label": "dipraglurant", "cosine_similarity": 0.3781512081623077 } }, { "source": "CID:5083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "bisindolylmaleimide-ix-triptolide similarity", "source_label": "bisindolylmaleimide-ix", "target_label": "triptolide", "cosine_similarity": 0.6871091723442078 } }, { "source": "CID:728578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "ST-022313-EMF-sumo1-6 similarity", "source_label": "ST-022313", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.3337659537792206 } }, { "source": "CID:41049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "meptazinol-milnacipran similarity", "source_label": "meptazinol", "target_label": "milnacipran", "cosine_similarity": 0.3421941101551056 } }, { "source": "CID:72201027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71271629", "properties": { "id": "SGC-CBP30-PFI-1 similarity", "source_label": "SGC-CBP30", "target_label": "PFI-1", "cosine_similarity": 0.4301420748233795 } }, { "source": "CID:131906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "S-14506-PLX-4720 similarity", "source_label": "S-14506", "target_label": "PLX-4720", "cosine_similarity": 0.2211136668920517 } }, { "source": "CID:4775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "phenylbutyrate-lacosamide similarity", "source_label": "phenylbutyrate", "target_label": "lacosamide", "cosine_similarity": 0.413226455450058 } }, { "source": "CID:870371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "STK-222600-lorazepam similarity", "source_label": "STK-222600", "target_label": "lorazepam", "cosine_similarity": 0.2843267917633056 } }, { "source": "CID:49381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "fluperlapine-diclofenac similarity", "source_label": "fluperlapine", "target_label": "diclofenac", "cosine_similarity": 0.2272183746099472 } }, { "source": "CID:10171544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "zaprinast-marbofloxacin similarity", "source_label": "zaprinast", "target_label": "marbofloxacin", "cosine_similarity": 0.4017437100410461 } }, { "source": "CID:3132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "thiorphan-riluzole similarity", "source_label": "thiorphan", "target_label": "riluzole", "cosine_similarity": 0.29855477809906 } }, { "source": "CID:65626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "dimesna-phenformin similarity", "source_label": "dimesna", "target_label": "phenformin", "cosine_similarity": 0.4080269336700439 } }, { "source": "CID:3947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "lofepramine-CGP-71683 similarity", "source_label": "lofepramine", "target_label": "CGP-71683", "cosine_similarity": 0.2493869811296463 } }, { "source": "CID:5078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "rizatriptan-rutin similarity", "source_label": "rizatriptan", "target_label": "rutin", "cosine_similarity": 0.4047594666481018 } }, { "source": "CID:4946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "propranolol-imiloxan similarity", "source_label": "propranolol", "target_label": "imiloxan", "cosine_similarity": 0.3352007567882538 } }, { "source": "CID:5281691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "rhamnetin-SKI-II similarity", "source_label": "rhamnetin", "target_label": "SKI-II", "cosine_similarity": 0.2956503927707672 } }, { "source": "CID:132059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3042", "properties": { "id": "L-694247-dicycloverine similarity", "source_label": "L-694247", "target_label": "dicycloverine", "cosine_similarity": 0.2435463964939117 } }, { "source": "CID:54657713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2300880", "properties": { "id": "SA-1459963-ST-013960 similarity", "source_label": "SA-1459963", "target_label": "ST-013960", "cosine_similarity": 0.2481987625360489 } }, { "source": "CID:415541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "U-18666A-sertraline similarity", "source_label": "U-18666A", "target_label": "sertraline", "cosine_similarity": 0.5737243294715881 } }, { "source": "CID:44616591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-427069-SA-419010 similarity", "source_label": "SA-427069", "target_label": "SA-419010", "cosine_similarity": 0.278699517250061 } }, { "source": "CID:54746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "cabergoline-linsidomine similarity", "source_label": "cabergoline", "target_label": "linsidomine", "cosine_similarity": 0.5071097612380981 } }, { "source": "CID:44601475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "KUC103903N-KU-C104248 similarity", "source_label": "KUC103903N", "target_label": "KU-C104248", "cosine_similarity": 0.3155187964439392 } }, { "source": "CID:2092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602378", "properties": { "id": "alfuzosin-KU-C104129 similarity", "source_label": "alfuzosin", "target_label": "KU-C104129", "cosine_similarity": 0.2962833940982818 } }, { "source": "CID:10251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "flavanone-NU-1025 similarity", "source_label": "flavanone", "target_label": "NU-1025", "cosine_similarity": 0.3154753148555755 } }, { "source": "CID:5601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "thenoyltrifluoroacetone-APO-866 similarity", "source_label": "thenoyltrifluoroacetone", "target_label": "APO-866", "cosine_similarity": 0.3243329226970672 } }, { "source": "CID:44484222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "SA-90024-SA-441412 similarity", "source_label": "SA-90024", "target_label": "SA-441412", "cosine_similarity": 0.3554585874080658 } }, { "source": "CID:5311221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "latanoprost-travoprost similarity", "source_label": "latanoprost", "target_label": "travoprost", "cosine_similarity": 0.5103945732116699 } }, { "source": "CID:4993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760312", "properties": { "id": "pyrimethamine-inhibitor-BEC similarity", "source_label": "pyrimethamine", "target_label": "inhibitor-BEC", "cosine_similarity": 0.3234736025333404 } }, { "source": "CID:2799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "clofoctol-EX-527 similarity", "source_label": "clofoctol", "target_label": "EX-527", "cosine_similarity": 0.3131769001483917 } }, { "source": "CID:5281727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483234", "properties": { "id": "pterostilbene-terreic-acid similarity", "source_label": "pterostilbene", "target_label": "terreic-acid", "cosine_similarity": 0.3403122723102569 } }, { "source": "CID:753704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2549", "properties": { "id": "SKI-II-capsazepine similarity", "source_label": "SKI-II", "target_label": "capsazepine", "cosine_similarity": 0.6104272603988647 } }, { "source": "CID:55652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "spiradoline-riluzole similarity", "source_label": "spiradoline", "target_label": "riluzole", "cosine_similarity": 0.2186245769262313 } }, { "source": "CID:673465", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7972413", "properties": { "id": "evoxine-KB188-III-56 similarity", "source_label": "evoxine", "target_label": "KB188-III-56", "cosine_similarity": 0.3447093367576599 } }, { "source": "CID:73707446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "tigecycline-COL-3 similarity", "source_label": "tigecycline", "target_label": "COL-3", "cosine_similarity": 0.4758540689945221 } }, { "source": "CID:5290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "L-stepholidine-pipenzolate similarity", "source_label": "L-stepholidine", "target_label": "pipenzolate", "cosine_similarity": 0.2490881830453872 } }, { "source": "CID:67077825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565545", "properties": { "id": "AZD-7762-PF-477736 similarity", "source_label": "AZD-7762", "target_label": "PF-477736", "cosine_similarity": 0.5323193073272705 } }, { "source": "CID:4823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318433", "properties": { "id": "pimobendan-indirubin similarity", "source_label": "pimobendan", "target_label": "indirubin", "cosine_similarity": 0.3348937630653381 } }, { "source": "CID:54656096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "SA-1473648-rolipram similarity", "source_label": "SA-1473648", "target_label": "rolipram", "cosine_similarity": 0.2337944209575653 } }, { "source": "CID:44483271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154868", "properties": { "id": "meclocycline-PF-750 similarity", "source_label": "meclocycline", "target_label": "PF-750", "cosine_similarity": 0.2517325282096863 } }, { "source": "CID:54657678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-1456443-SA-1459849 similarity", "source_label": "SA-1456443", "target_label": "SA-1459849", "cosine_similarity": 0.4526886641979217 } }, { "source": "CID:9801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "prenylamine-clopidogrel similarity", "source_label": "prenylamine", "target_label": "clopidogrel", "cosine_similarity": 0.2531890273094177 } }, { "source": "CID:5430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "tiabendazole-rizatriptan similarity", "source_label": "tiabendazole", "target_label": "rizatriptan", "cosine_similarity": 0.3594481945037842 } }, { "source": "CID:134551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "ergocryptine-APO-866 similarity", "source_label": "ergocryptine", "target_label": "APO-866", "cosine_similarity": 0.2451782822608947 } }, { "source": "CID:65016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918456", "properties": { "id": "amprenavir-prasugrel similarity", "source_label": "amprenavir", "target_label": "prasugrel", "cosine_similarity": 0.2988694012165069 } }, { "source": "CID:9828429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "proscillaridin-digitoxigenin similarity", "source_label": "proscillaridin", "target_label": "digitoxigenin", "cosine_similarity": 0.8384453058242798 } }, { "source": "CID:108029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "RU-24969-RK-682 similarity", "source_label": "RU-24969", "target_label": "RK-682", "cosine_similarity": 0.3596754968166351 } }, { "source": "CID:54667575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483977", "properties": { "id": "SA-1921599-DM-55-3 similarity", "source_label": "SA-1921599", "target_label": "DM-55-3", "cosine_similarity": 0.3177357614040375 } }, { "source": "CID:54658632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44495084", "properties": { "id": "SA-1456977-SA-440772 similarity", "source_label": "SA-1456977", "target_label": "SA-440772", "cosine_similarity": 0.3266398012638092 } }, { "source": "CID:153241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "merimepodib-palovarotene similarity", "source_label": "merimepodib", "target_label": "palovarotene", "cosine_similarity": 0.3786458075046539 } }, { "source": "CID:870371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "STK-222600-losartan similarity", "source_label": "STK-222600", "target_label": "losartan", "cosine_similarity": 0.2829335033893585 } }, { "source": "CID:2753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "cilostamide-FTI-276 similarity", "source_label": "cilostamide", "target_label": "FTI-276", "cosine_similarity": 0.248157262802124 } }, { "source": "CID:44182295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "refametinib-Ro-4987655 similarity", "source_label": "refametinib", "target_label": "Ro-4987655", "cosine_similarity": 0.7959343791007996 } }, { "source": "CID:4781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3672", "properties": { "id": "phenylbutazone-ibuprofen similarity", "source_label": "phenylbutazone", "target_label": "ibuprofen", "cosine_similarity": 0.3594041466712951 } }, { "source": "CID:3795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "WHI-P154-neratinib similarity", "source_label": "WHI-P154", "target_label": "neratinib", "cosine_similarity": 0.4741996526718139 } }, { "source": "CID:7061041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756791", "properties": { "id": "ethisterone-Ro-08-2750 similarity", "source_label": "ethisterone", "target_label": "Ro-08-2750", "cosine_similarity": 0.1879670470952987 } }, { "source": "CID:5780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "mannitol-D-bemegride similarity", "source_label": "mannitol-D", "target_label": "bemegride", "cosine_similarity": 0.3788839280605316 } }, { "source": "CID:54675769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "novobiocin-acrivastine similarity", "source_label": "novobiocin", "target_label": "acrivastine", "cosine_similarity": 0.339897483587265 } }, { "source": "CID:54660617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490257", "properties": { "id": "SA-1457458-SA-102607 similarity", "source_label": "SA-1457458", "target_label": "SA-102607", "cosine_similarity": 0.335449606180191 } }, { "source": "CID:2787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "clinofibrate-temozolomide similarity", "source_label": "clinofibrate", "target_label": "temozolomide", "cosine_similarity": 0.2448023706674575 } }, { "source": "CID:4521392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2921148", "properties": { "id": "SB-431542-BRL-50481 similarity", "source_label": "SB-431542", "target_label": "BRL-50481", "cosine_similarity": 0.3118132352828979 } }, { "source": "CID:6918454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "PD-184352-PD-0325901 similarity", "source_label": "PD-184352", "target_label": "PD-0325901", "cosine_similarity": 0.8428844213485718 } }, { "source": "CID:667476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "dienestrol-CV-1808 similarity", "source_label": "dienestrol", "target_label": "CV-1808", "cosine_similarity": 0.5551847815513611 } }, { "source": "CID:60838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "irinotecan-teniposide similarity", "source_label": "irinotecan", "target_label": "teniposide", "cosine_similarity": 0.7329027056694031 } }, { "source": "CID:6450813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "indiplon-rizatriptan similarity", "source_label": "indiplon", "target_label": "rizatriptan", "cosine_similarity": 0.2756847143173218 } }, { "source": "CID:4528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60726", "properties": { "id": "nomifensine-bromfenac similarity", "source_label": "nomifensine", "target_label": "bromfenac", "cosine_similarity": 0.2231945395469665 } }, { "source": "CID:1923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "oxyquinoline-pelitinib similarity", "source_label": "oxyquinoline", "target_label": "pelitinib", "cosine_similarity": 0.2147752791643142 } }, { "source": "CID:5280378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "formononetin-VX-745 similarity", "source_label": "formononetin", "target_label": "VX-745", "cosine_similarity": 0.2853655517101288 } }, { "source": "CID:46233311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9961192", "properties": { "id": "GSK-0660-L-161982 similarity", "source_label": "GSK-0660", "target_label": "L-161982", "cosine_similarity": 0.2813190519809723 } }, { "source": "CID:1697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12387471", "properties": { "id": "CGP-52411-KUC111774N similarity", "source_label": "CGP-52411", "target_label": "KUC111774N", "cosine_similarity": 0.2721116542816162 } }, { "source": "CID:51039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11960529", "properties": { "id": "cefaclor-veliparib similarity", "source_label": "cefaclor", "target_label": "veliparib", "cosine_similarity": 0.2464874237775802 } }, { "source": "CID:9953592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "naltrindole-CAM-9-027-3 similarity", "source_label": "naltrindole", "target_label": "CAM-9-027-3", "cosine_similarity": 0.2652135789394378 } }, { "source": "CID:2585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "carvedilol-imiloxan similarity", "source_label": "carvedilol", "target_label": "imiloxan", "cosine_similarity": 0.4160255491733551 } }, { "source": "CID:16118392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "golvatinib-fluspirilene similarity", "source_label": "golvatinib", "target_label": "fluspirilene", "cosine_similarity": 0.3106859028339386 } }, { "source": "CID:5281750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "seneciphylline-fumonisin-b1 similarity", "source_label": "seneciphylline", "target_label": "fumonisin-b1", "cosine_similarity": 0.324733555316925 } }, { "source": "CID:134117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "BP-554-BMS-641988 similarity", "source_label": "BP-554", "target_label": "BMS-641988", "cosine_similarity": 0.3298245966434479 } }, { "source": "CID:10311918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445621", "properties": { "id": "CTPB-glucosamine similarity", "source_label": "CTPB", "target_label": "glucosamine", "cosine_similarity": 0.2500528395175934 } }, { "source": "CID:6710622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14900", "properties": { "id": "bicuculline-1-monopalmitin similarity", "source_label": "bicuculline", "target_label": "1-monopalmitin", "cosine_similarity": 0.3611648380756378 } }, { "source": "CID:9956222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "YM-201636-BIBU-1361 similarity", "source_label": "YM-201636", "target_label": "BIBU-1361", "cosine_similarity": 0.469150185585022 } }, { "source": "CID:54658744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "SA-1455938-SA-1456170 similarity", "source_label": "SA-1455938", "target_label": "SA-1456170", "cosine_similarity": 0.4284102916717529 } }, { "source": "CID:2712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "chlordiazepoxide-guanabenz similarity", "source_label": "chlordiazepoxide", "target_label": "guanabenz", "cosine_similarity": 0.309618204832077 } }, { "source": "CID:22416236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "KU-C103655-NSC-632839 similarity", "source_label": "KU-C103655", "target_label": "NSC-632839", "cosine_similarity": 0.3521397709846496 } }, { "source": "CID:44483291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "medrysone-rimexolone similarity", "source_label": "medrysone", "target_label": "rimexolone", "cosine_similarity": 0.5190923810005188 } }, { "source": "CID:4472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "nialamide-APO-866 similarity", "source_label": "nialamide", "target_label": "APO-866", "cosine_similarity": 0.2898258566856384 } }, { "source": "CID:72430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707378", "properties": { "id": "MDL-28170-triacsin-c similarity", "source_label": "MDL-28170", "target_label": "triacsin-c", "cosine_similarity": 0.3592312932014465 } }, { "source": "CID:6505803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "tanespimycin-NVP-AUY922 similarity", "source_label": "tanespimycin", "target_label": "NVP-AUY922", "cosine_similarity": 0.9203543663024902 } }, { "source": "CID:5482874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "rifabutin-dapivirine similarity", "source_label": "rifabutin", "target_label": "dapivirine", "cosine_similarity": 0.4750131964683532 } }, { "source": "CID:54654640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3442", "properties": { "id": "SA-1472514-fusaric-acid similarity", "source_label": "SA-1472514", "target_label": "fusaric-acid", "cosine_similarity": 0.2357630729675293 } }, { "source": "CID:2484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68827", "properties": { "id": "butenafine-artemisinin similarity", "source_label": "butenafine", "target_label": "artemisinin", "cosine_similarity": 0.1763035804033279 } }, { "source": "CID:24748573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "CX-4945-pelitinib similarity", "source_label": "CX-4945", "target_label": "pelitinib", "cosine_similarity": 0.3796378076076507 } }, { "source": "CID:5282440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "ozagrel-ripasudil similarity", "source_label": "ozagrel", "target_label": "ripasudil", "cosine_similarity": 0.5353208780288696 } }, { "source": "CID:1893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "7-nitroindazole-NSC-23766 similarity", "source_label": "7-nitroindazole", "target_label": "NSC-23766", "cosine_similarity": 0.5028756260871887 } }, { "source": "CID:13019152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59149652", "properties": { "id": "isosorbide-AZD-5069 similarity", "source_label": "isosorbide", "target_label": "AZD-5069", "cosine_similarity": 0.2397377640008926 } }, { "source": "CID:3546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "HA-1004-valsartan similarity", "source_label": "HA-1004", "target_label": "valsartan", "cosine_similarity": 0.3185542821884155 } }, { "source": "CID:60184097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506644", "properties": { "id": "SA-1938421-SA-247508 similarity", "source_label": "SA-1938421", "target_label": "SA-247508", "cosine_similarity": 0.2608604431152344 } }, { "source": "CID:9914412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "ZM-447439-cabozantinib similarity", "source_label": "ZM-447439", "target_label": "cabozantinib", "cosine_similarity": 0.2716360986232757 } }, { "source": "CID:2355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "bergapten-metacetamol similarity", "source_label": "bergapten", "target_label": "metacetamol", "cosine_similarity": 0.7220702767372131 } }, { "source": "CID:2320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2148", "properties": { "id": "benfotiamine-aminohippuric-acid similarity", "source_label": "benfotiamine", "target_label": "aminohippuric-acid", "cosine_similarity": 0.2173417657613754 } }, { "source": "CID:68602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "medetomidine-castanospermine similarity", "source_label": "medetomidine", "target_label": "castanospermine", "cosine_similarity": 0.4339717626571655 } }, { "source": "CID:44369694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "BNTX-EMF-sumo1-39 similarity", "source_label": "BNTX", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7577212452888489 } }, { "source": "CID:3883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "lansoprazole-alosetron similarity", "source_label": "lansoprazole", "target_label": "alosetron", "cosine_similarity": 0.244064524769783 } }, { "source": "CID:4008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1400", "properties": { "id": "manidipine-PP-1 similarity", "source_label": "manidipine", "target_label": "PP-1", "cosine_similarity": 0.2711133062839508 } }, { "source": "CID:5591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4829", "properties": { "id": "troglitazone-pioglitazone similarity", "source_label": "troglitazone", "target_label": "pioglitazone", "cosine_similarity": 0.4323288798332214 } }, { "source": "CID:610479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "tolfenamic-acid-alaproclate similarity", "source_label": "tolfenamic-acid", "target_label": "alaproclate", "cosine_similarity": 0.3534137606620788 } }, { "source": "CID:11609586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2949965", "properties": { "id": "serdemetan-importazole similarity", "source_label": "serdemetan", "target_label": "importazole", "cosine_similarity": 0.5953064560890198 } }, { "source": "CID:3335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "fenbufen-Gossypetin similarity", "source_label": "fenbufen", "target_label": "Gossypetin", "cosine_similarity": 0.3419888019561767 } }, { "source": "CID:11957722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "terguride-valproic-acid similarity", "source_label": "terguride", "target_label": "valproic-acid", "cosine_similarity": 0.2532737255096435 } }, { "source": "CID:41049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "meptazinol-CV-1808 similarity", "source_label": "meptazinol", "target_label": "CV-1808", "cosine_similarity": 0.3625314831733703 } }, { "source": "CID:4671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "palmitoylethanolamide-bucladesine similarity", "source_label": "palmitoylethanolamide", "target_label": "bucladesine", "cosine_similarity": 0.4043813943862915 } }, { "source": "CID:443874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "temocapril-granisetron similarity", "source_label": "temocapril", "target_label": "granisetron", "cosine_similarity": 0.3614985048770904 } }, { "source": "CID:90488984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "I-CBP112-SB-239063 similarity", "source_label": "I-CBP112", "target_label": "SB-239063", "cosine_similarity": 0.2024428099393844 } }, { "source": "CID:5702124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707546", "properties": { "id": "tranylcypromine-garcinol similarity", "source_label": "tranylcypromine", "target_label": "garcinol", "cosine_similarity": 0.3823709487915039 } }, { "source": "CID:6736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "skatole-topotecan similarity", "source_label": "skatole", "target_label": "topotecan", "cosine_similarity": 0.2292077988386154 } }, { "source": "CID:236702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "dexamethasone-clobetasol similarity", "source_label": "dexamethasone", "target_label": "clobetasol", "cosine_similarity": 0.7273829579353333 } }, { "source": "CID:9926048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329099", "properties": { "id": "DMAB-anabaseine-orantinib similarity", "source_label": "DMAB-anabaseine", "target_label": "orantinib", "cosine_similarity": 0.2422024309635162 } }, { "source": "CID:4168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "metoclopramide-phenylacetylglutamine similarity", "source_label": "metoclopramide", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.3609541952610016 } }, { "source": "CID:9952773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "TAK-715-doramapimod similarity", "source_label": "TAK-715", "target_label": "doramapimod", "cosine_similarity": 0.4354684352874756 } }, { "source": "CID:446598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132519", "properties": { "id": "clindamycin-ilomastat similarity", "source_label": "clindamycin", "target_label": "ilomastat", "cosine_similarity": 0.3968482315540313 } }, { "source": "CID:4284720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "BW-723C86-sertraline similarity", "source_label": "BW-723C86", "target_label": "sertraline", "cosine_similarity": 0.2352411299943924 } }, { "source": "CID:54669118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666571", "properties": { "id": "SA-1921902-SA-1921867 similarity", "source_label": "SA-1921902", "target_label": "SA-1921867", "cosine_similarity": 0.2158486992120742 } }, { "source": "CID:5466054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ST-208960-FTI-276 similarity", "source_label": "ST-208960", "target_label": "FTI-276", "cosine_similarity": 0.2997587025165558 } }, { "source": "CID:3671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54841", "properties": { "id": "ibudilast-atomoxetine similarity", "source_label": "ibudilast", "target_label": "atomoxetine", "cosine_similarity": 0.2974773049354553 } }, { "source": "CID:3042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11957615", "properties": { "id": "dicycloverine-lisuride similarity", "source_label": "dicycloverine", "target_label": "lisuride", "cosine_similarity": 0.200897142291069 } }, { "source": "CID:4670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:984170", "properties": { "id": "PACOCF3-CCT-018159 similarity", "source_label": "PACOCF3", "target_label": "CCT-018159", "cosine_similarity": 0.1678471118211746 } }, { "source": "CID:42628535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "XMD-1185H-BI-2536 similarity", "source_label": "XMD-1185H", "target_label": "BI-2536", "cosine_similarity": 0.402098000049591 } }, { "source": "CID:5723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "zardaverine-primaquine similarity", "source_label": "zardaverine", "target_label": "primaquine", "cosine_similarity": 0.428713709115982 } }, { "source": "CID:128268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "FPL-62064-emedastine similarity", "source_label": "FPL-62064", "target_label": "emedastine", "cosine_similarity": 0.4544692933559418 } }, { "source": "CID:24747231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1720", "properties": { "id": "JAS07-009-CS-1657 similarity", "source_label": "JAS07-009", "target_label": "CS-1657", "cosine_similarity": 0.2450958043336868 } }, { "source": "CID:5330790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "JNJ-7706621-AZD-5438 similarity", "source_label": "JNJ-7706621", "target_label": "AZD-5438", "cosine_similarity": 0.6111471056938171 } }, { "source": "CID:12385463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44473128", "properties": { "id": "KU-C103670-KU-C103672 similarity", "source_label": "KU-C103670", "target_label": "KU-C103672", "cosine_similarity": 0.3184762299060821 } }, { "source": "CID:25183872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "ixazomib-NSC-632839 similarity", "source_label": "ixazomib", "target_label": "NSC-632839", "cosine_similarity": 0.6348172426223755 } }, { "source": "CID:50287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446916", "properties": { "id": "tiotidine-MDL-29951 similarity", "source_label": "tiotidine", "target_label": "MDL-29951", "cosine_similarity": 0.3113799393177032 } }, { "source": "CID:5282381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5666", "properties": { "id": "misoprostol-viloxazine similarity", "source_label": "misoprostol", "target_label": "viloxazine", "cosine_similarity": 0.2274360656738281 } }, { "source": "CID:470071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439620", "properties": { "id": "ethambutol-oxalomalic-acid similarity", "source_label": "ethambutol", "target_label": "oxalomalic-acid", "cosine_similarity": 0.2659516036510467 } }, { "source": "CID:213039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "darunavir-D-serine similarity", "source_label": "darunavir", "target_label": "D-serine", "cosine_similarity": 0.3604952096939087 } }, { "source": "CID:3275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5385074", "properties": { "id": "etafenone-kakonein similarity", "source_label": "etafenone", "target_label": "kakonein", "cosine_similarity": 0.2148211896419525 } }, { "source": "CID:3476986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68870", "properties": { "id": "blebbistatin-tianeptine similarity", "source_label": "blebbistatin", "target_label": "tianeptine", "cosine_similarity": 0.4192995727062225 } }, { "source": "CID:5312529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3742", "properties": { "id": "eicosatrienoic-acid-ioxaglic-acid similarity", "source_label": "eicosatrienoic-acid", "target_label": "ioxaglic-acid", "cosine_similarity": 0.3440769612789154 } }, { "source": "CID:4477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "niclosamide-heliomycin similarity", "source_label": "niclosamide", "target_label": "heliomycin", "cosine_similarity": 0.6812579035758972 } }, { "source": "CID:73707583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9458", "properties": { "id": "PD-149163-triflusal similarity", "source_label": "PD-149163", "target_label": "triflusal", "cosine_similarity": 0.1620339304208755 } }, { "source": "CID:44506630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "SA-247384-entinostat similarity", "source_label": "SA-247384", "target_label": "entinostat", "cosine_similarity": 0.4968830347061157 } }, { "source": "CID:10446295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "JNJ-10191584-gatifloxacin similarity", "source_label": "JNJ-10191584", "target_label": "gatifloxacin", "cosine_similarity": 0.300457090139389 } }, { "source": "CID:5312122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "KN-93-RS-17053 similarity", "source_label": "KN-93", "target_label": "RS-17053", "cosine_similarity": 0.4902506470680237 } }, { "source": "CID:44601475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854195", "properties": { "id": "KUC103903N-KUC104235N similarity", "source_label": "KUC103903N", "target_label": "KUC104235N", "cosine_similarity": 0.3357723653316498 } }, { "source": "CID:637858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "piperlongumine-GP-42 similarity", "source_label": "piperlongumine", "target_label": "GP-42", "cosine_similarity": 0.7678521871566772 } }, { "source": "CID:68071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "pinocembrin-darinaparsin similarity", "source_label": "pinocembrin", "target_label": "darinaparsin", "cosine_similarity": 0.3065065145492553 } }, { "source": "CID:71447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "talampicillin-naloxone similarity", "source_label": "talampicillin", "target_label": "naloxone", "cosine_similarity": 0.3090683817863464 } }, { "source": "CID:5269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "splitomycin-dipyridamole similarity", "source_label": "splitomycin", "target_label": "dipyridamole", "cosine_similarity": 0.2644983232021332 } }, { "source": "CID:6435901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "linoleamide-bucladesine similarity", "source_label": "linoleamide", "target_label": "bucladesine", "cosine_similarity": 0.265937328338623 } }, { "source": "CID:2577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "carmofur-topotecan similarity", "source_label": "carmofur", "target_label": "topotecan", "cosine_similarity": 0.2930643260478973 } }, { "source": "CID:24747183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747213", "properties": { "id": "JAS07-008-PSH-008 similarity", "source_label": "JAS07-008", "target_label": "PSH-008", "cosine_similarity": 0.2492756247520446 } }, { "source": "CID:18721", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "apigenin-kenpaullone similarity", "source_label": "apigenin", "target_label": "kenpaullone", "cosine_similarity": 0.7679065465927124 } }, { "source": "CID:56599293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "AZD-3463-CEP-37440 similarity", "source_label": "AZD-3463", "target_label": "CEP-37440", "cosine_similarity": 0.4622348845005035 } }, { "source": "CID:11289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "chlorotrianisene-SA-96805 similarity", "source_label": "chlorotrianisene", "target_label": "SA-96805", "cosine_similarity": 0.2833533883094787 } }, { "source": "CID:68801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4170", "properties": { "id": "piketoprofen-metolazone similarity", "source_label": "piketoprofen", "target_label": "metolazone", "cosine_similarity": 0.267500102519989 } }, { "source": "CID:6328608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11219835", "properties": { "id": "abacavir-ataluren similarity", "source_label": "abacavir", "target_label": "ataluren", "cosine_similarity": 0.352837860584259 } }, { "source": "CID:24800541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "delanzomib-MLN-9708 similarity", "source_label": "delanzomib", "target_label": "MLN-9708", "cosine_similarity": 0.8700364232063293 } }, { "source": "CID:72943187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "bromosporine-I-BET-762 similarity", "source_label": "bromosporine", "target_label": "I-BET-762", "cosine_similarity": 0.8142921328544617 } }, { "source": "CID:115113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71815", "properties": { "id": "L-701324-secnidazole similarity", "source_label": "L-701324", "target_label": "secnidazole", "cosine_similarity": 0.2856533527374267 } }, { "source": "CID:3428129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "ichthynone-ifosfamide similarity", "source_label": "ichthynone", "target_label": "ifosfamide", "cosine_similarity": 0.3252796232700348 } }, { "source": "CID:5901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666568", "properties": { "id": "azauridine-SA-1919584 similarity", "source_label": "azauridine", "target_label": "SA-1919584", "cosine_similarity": 0.2731512486934662 } }, { "source": "CID:10410894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483329", "properties": { "id": "LE-135-malonoben similarity", "source_label": "LE-135", "target_label": "malonoben", "cosine_similarity": 0.4511576294898987 } }, { "source": "CID:135564558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "PF-04447943-tipiracil similarity", "source_label": "PF-04447943", "target_label": "tipiracil", "cosine_similarity": 0.3149617910385132 } }, { "source": "CID:67243342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "TUL-XIX029-fatostatin similarity", "source_label": "TUL-XIX029", "target_label": "fatostatin", "cosine_similarity": 0.3081280589103699 } }, { "source": "CID:5310993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "acipimox-meloxicam similarity", "source_label": "acipimox", "target_label": "meloxicam", "cosine_similarity": 0.2648484408855438 } }, { "source": "CID:3307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "etizolam-nicotinamide similarity", "source_label": "etizolam", "target_label": "nicotinamide", "cosine_similarity": 0.3337476551532745 } }, { "source": "CID:2353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "berberine-cinoxacin similarity", "source_label": "berberine", "target_label": "cinoxacin", "cosine_similarity": 0.5369767546653748 } }, { "source": "CID:5145950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "RS-39604-NTNCB similarity", "source_label": "RS-39604", "target_label": "NTNCB", "cosine_similarity": 0.5540245771408081 } }, { "source": "CID:5328748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "AG-370-selinidin similarity", "source_label": "AG-370", "target_label": "selinidin", "cosine_similarity": 0.2732458710670471 } }, { "source": "CID:49867936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "MLN-9708-oprozomib similarity", "source_label": "MLN-9708", "target_label": "oprozomib", "cosine_similarity": 0.8586973547935486 } }, { "source": "CID:49843099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502756", "properties": { "id": "SA-441350-SA-102695 similarity", "source_label": "SA-441350", "target_label": "SA-102695", "cosine_similarity": 0.3587920665740967 } }, { "source": "CID:44488330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488194", "properties": { "id": "SA-85148-SA-426029 similarity", "source_label": "SA-85148", "target_label": "SA-426029", "cosine_similarity": 0.4733908772468567 } }, { "source": "CID:3646984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "F-1061-0166-cerulenin similarity", "source_label": "F-1061-0166", "target_label": "cerulenin", "cosine_similarity": 0.5480406284332275 } }, { "source": "CID:4412255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "CP-55940-rhodomyrtoxin-b similarity", "source_label": "CP-55940", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.2638098895549774 } }, { "source": "CID:9836739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24868309", "properties": { "id": "PNU-74654-CD-1530 similarity", "source_label": "PNU-74654", "target_label": "CD-1530", "cosine_similarity": 0.3874184787273407 } }, { "source": "CID:72193870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2744062", "properties": { "id": "QW-BI-011-SPB02303 similarity", "source_label": "QW-BI-011", "target_label": "SPB02303", "cosine_similarity": 0.3490080833435058 } }, { "source": "CID:6605258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "CGK-733-azacitidine similarity", "source_label": "CGK-733", "target_label": "azacitidine", "cosine_similarity": 0.5771099328994751 } }, { "source": "CID:5289501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "TTNPB-AM-580 similarity", "source_label": "TTNPB", "target_label": "AM-580", "cosine_similarity": 0.3942020237445831 } }, { "source": "CID:2946601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "JW-55-VX-745 similarity", "source_label": "JW-55", "target_label": "VX-745", "cosine_similarity": 0.4273513555526733 } }, { "source": "CID:54657736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1460224-SA-419050 similarity", "source_label": "SA-1460224", "target_label": "SA-419050", "cosine_similarity": 0.2350499927997589 } }, { "source": "CID:23633604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3194", "properties": { "id": "LX-1031-ebselen similarity", "source_label": "LX-1031", "target_label": "ebselen", "cosine_similarity": 0.3169356882572174 } }, { "source": "CID:132059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "L-694247-valproic-acid similarity", "source_label": "L-694247", "target_label": "valproic-acid", "cosine_similarity": 0.2626045942306518 } }, { "source": "CID:132496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "FGIN-1-27-Gly-Gly-PALO similarity", "source_label": "FGIN-1-27", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2933923006057739 } }, { "source": "CID:60190124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "SA-1939007-SA-427228 similarity", "source_label": "SA-1939007", "target_label": "SA-427228", "cosine_similarity": 0.334258884191513 } }, { "source": "CID:1201549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "benzatropine-ifosfamide similarity", "source_label": "benzatropine", "target_label": "ifosfamide", "cosine_similarity": 0.2701725363731384 } }, { "source": "CID:6451149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4746", "properties": { "id": "netupitant-perhexiline similarity", "source_label": "netupitant", "target_label": "perhexiline", "cosine_similarity": 0.2873378992080688 } }, { "source": "CID:5511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159269", "properties": { "id": "tolperisone-telbivudine similarity", "source_label": "tolperisone", "target_label": "telbivudine", "cosine_similarity": 0.2768174409866333 } }, { "source": "CID:4018928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25151504", "properties": { "id": "sulpiride-cobicistat similarity", "source_label": "sulpiride", "target_label": "cobicistat", "cosine_similarity": 0.4050839245319366 } }, { "source": "CID:4369491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "PD-407824-neratinib similarity", "source_label": "PD-407824", "target_label": "neratinib", "cosine_similarity": 0.6149448156356812 } }, { "source": "CID:5282230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "tranilast-lenalidomide similarity", "source_label": "tranilast", "target_label": "lenalidomide", "cosine_similarity": 0.4047378897666931 } }, { "source": "CID:44492462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2818982", "properties": { "id": "EMF-BCA1-60-KM-00519SC similarity", "source_label": "EMF-BCA1-60", "target_label": "KM-00519SC", "cosine_similarity": 0.2418341636657714 } }, { "source": "CID:6445533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "dacinostat-PCI-24781 similarity", "source_label": "dacinostat", "target_label": "PCI-24781", "cosine_similarity": 0.9085165858268738 } }, { "source": "CID:73707600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720272", "properties": { "id": "APEC-ST-012015 similarity", "source_label": "APEC", "target_label": "ST-012015", "cosine_similarity": 0.1811759322881698 } }, { "source": "CID:896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "melatonin-PTB1 similarity", "source_label": "melatonin", "target_label": "PTB1", "cosine_similarity": 0.3562899529933929 } }, { "source": "CID:8569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "dioxybenzone-TEPP-46 similarity", "source_label": "dioxybenzone", "target_label": "TEPP-46", "cosine_similarity": 0.2280899733304977 } }, { "source": "CID:1981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "acemetacin-imiloxan similarity", "source_label": "acemetacin", "target_label": "imiloxan", "cosine_similarity": 0.2549744844436645 } }, { "source": "CID:71693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3324", "properties": { "id": "fomocaine-famciclovir similarity", "source_label": "fomocaine", "target_label": "famciclovir", "cosine_similarity": 0.3523999452590942 } }, { "source": "CID:34040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "nicergoline-S-18986 similarity", "source_label": "nicergoline", "target_label": "S-18986", "cosine_similarity": 0.4247164130210876 } }, { "source": "CID:3921152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "D-64131-chelidonine similarity", "source_label": "D-64131", "target_label": "chelidonine", "cosine_similarity": 0.7868626117706299 } }, { "source": "CID:4939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "propidium-sulfamethoxypyridazine similarity", "source_label": "propidium", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.2450571656227111 } }, { "source": "CID:3386873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70882", "properties": { "id": "AH-11110-moxaverine similarity", "source_label": "AH-11110", "target_label": "moxaverine", "cosine_similarity": 0.3187937140464782 } }, { "source": "CID:54666790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669151", "properties": { "id": "SA-1919918-SA-1921783 similarity", "source_label": "SA-1919918", "target_label": "SA-1921783", "cosine_similarity": 0.3282016813755035 } }, { "source": "CID:70680396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "MW-SHH-28-darinaparsin similarity", "source_label": "MW-SHH-28", "target_label": "darinaparsin", "cosine_similarity": 0.3254998624324798 } }, { "source": "CID:5912039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "huperzine-a-minoxidil similarity", "source_label": "huperzine-a", "target_label": "minoxidil", "cosine_similarity": 0.3023573458194732 } }, { "source": "CID:688272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "levosulpiride-orciprenaline similarity", "source_label": "levosulpiride", "target_label": "orciprenaline", "cosine_similarity": 0.6042515635490417 } }, { "source": "CID:17507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3779", "properties": { "id": "etamsylate-isoprenaline similarity", "source_label": "etamsylate", "target_label": "isoprenaline", "cosine_similarity": 0.2507343888282776 } }, { "source": "CID:54688261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34870", "properties": { "id": "warfarin-amineptine similarity", "source_label": "warfarin", "target_label": "amineptine", "cosine_similarity": 0.4681266546249389 } }, { "source": "CID:24768935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "BMS-641988-pemetrexed similarity", "source_label": "BMS-641988", "target_label": "pemetrexed", "cosine_similarity": 0.5640756487846375 } }, { "source": "CID:54657740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666542", "properties": { "id": "SA-1456570-SA-1922006 similarity", "source_label": "SA-1456570", "target_label": "SA-1922006", "cosine_similarity": 0.231628805398941 } }, { "source": "CID:4133412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "DL-TBOA-BMS-191011 similarity", "source_label": "DL-TBOA", "target_label": "BMS-191011", "cosine_similarity": 0.5761497616767883 } }, { "source": "CID:5311181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "iloprost-orciprenaline similarity", "source_label": "iloprost", "target_label": "orciprenaline", "cosine_similarity": 0.3040632307529449 } }, { "source": "CID:52914946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "GSK-2126458-NVP-BEZ235 similarity", "source_label": "GSK-2126458", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6966550350189209 } }, { "source": "CID:6918540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "dalcetrapib-serotonin similarity", "source_label": "dalcetrapib", "target_label": "serotonin", "cosine_similarity": 0.5233675837516785 } }, { "source": "CID:1797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "5-nonyloxytryptamine-CGP-71683 similarity", "source_label": "5-nonyloxytryptamine", "target_label": "CGP-71683", "cosine_similarity": 0.5899081826210022 } }, { "source": "CID:44229302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "RAN-05-rhodomyrtoxin-b similarity", "source_label": "RAN-05", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.3780572116374969 } }, { "source": "CID:9840324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741245", "properties": { "id": "etomoxir-AZD-7545 similarity", "source_label": "etomoxir", "target_label": "AZD-7545", "cosine_similarity": 0.3322874903678894 } }, { "source": "CID:4904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6780", "properties": { "id": "pridinol-anthraquinone similarity", "source_label": "pridinol", "target_label": "anthraquinone", "cosine_similarity": 0.6660475134849548 } }, { "source": "CID:41684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "nitazoxanide-bithionol similarity", "source_label": "nitazoxanide", "target_label": "bithionol", "cosine_similarity": 0.4868288040161133 } }, { "source": "CID:56640146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "dasabuvir-sulpiride similarity", "source_label": "dasabuvir", "target_label": "sulpiride", "cosine_similarity": 0.3476134240627289 } }, { "source": "CID:11154555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156391", "properties": { "id": "cariprazine-naproxen similarity", "source_label": "cariprazine", "target_label": "naproxen", "cosine_similarity": 0.3969312906265259 } }, { "source": "CID:1549008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "terbinafine-valsartan similarity", "source_label": "terbinafine", "target_label": "valsartan", "cosine_similarity": 0.4372640550136566 } }, { "source": "CID:73707378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "triacsin-c-CT-200783 similarity", "source_label": "triacsin-c", "target_label": "CT-200783", "cosine_similarity": 0.418975293636322 } }, { "source": "CID:123600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "levalbuterol-imiquimod similarity", "source_label": "levalbuterol", "target_label": "imiquimod", "cosine_similarity": 0.3584409356117248 } }, { "source": "CID:5023925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "butabindide-chelidonine similarity", "source_label": "butabindide", "target_label": "chelidonine", "cosine_similarity": 0.2619120180606842 } }, { "source": "CID:104956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448013", "properties": { "id": "SKF-96365-epothilone similarity", "source_label": "SKF-96365", "target_label": "epothilone", "cosine_similarity": 0.6454504132270813 } }, { "source": "CID:5318433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "indirubin-LY-2886721 similarity", "source_label": "indirubin", "target_label": "LY-2886721", "cosine_similarity": 0.4308074116706848 } }, { "source": "CID:9848818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5780", "properties": { "id": "ursodeoxycholyltaurine-mannitol-D similarity", "source_label": "ursodeoxycholyltaurine", "target_label": "mannitol-D", "cosine_similarity": 0.2778902053833008 } }, { "source": "CID:5534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "tremorine-DM-161 similarity", "source_label": "tremorine", "target_label": "DM-161", "cosine_similarity": 0.2819023728370666 } }, { "source": "CID:896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "melatonin-prima-1-met similarity", "source_label": "melatonin", "target_label": "prima-1-met", "cosine_similarity": 0.3584185540676117 } }, { "source": "CID:11955855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856436", "properties": { "id": "LY-2603618-MK-1775 similarity", "source_label": "LY-2603618", "target_label": "MK-1775", "cosine_similarity": 0.4718871116638183 } }, { "source": "CID:4516886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91588", "properties": { "id": "GW-1929-salsolinol similarity", "source_label": "GW-1929", "target_label": "salsolinol", "cosine_similarity": 0.3643708527088165 } }, { "source": "CID:197033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "latrepirdine-evoxine similarity", "source_label": "latrepirdine", "target_label": "evoxine", "cosine_similarity": 0.1840620785951614 } }, { "source": "CID:11612883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "PF-573228-Ro-4987655 similarity", "source_label": "PF-573228", "target_label": "Ro-4987655", "cosine_similarity": 0.4025194346904754 } }, { "source": "CID:11640390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "linsitinib-taselisib similarity", "source_label": "linsitinib", "target_label": "taselisib", "cosine_similarity": 0.6451132893562317 } }, { "source": "CID:4477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "niclosamide-bithionol similarity", "source_label": "niclosamide", "target_label": "bithionol", "cosine_similarity": 0.6702303886413574 } }, { "source": "CID:5070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "riluzole-isradipine similarity", "source_label": "riluzole", "target_label": "isradipine", "cosine_similarity": 0.3959336280822754 } }, { "source": "CID:2858523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "CHEMBL-374350-clomipramine similarity", "source_label": "CHEMBL-374350", "target_label": "clomipramine", "cosine_similarity": 0.6867876648902893 } }, { "source": "CID:2065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6127", "properties": { "id": "AG-99-diphemanil similarity", "source_label": "AG-99", "target_label": "diphemanil", "cosine_similarity": 0.2580695152282715 } }, { "source": "CID:44607584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640178", "properties": { "id": "KU-C104137-KU-C104488 similarity", "source_label": "KU-C104137", "target_label": "KU-C104488", "cosine_similarity": 0.4121239185333252 } }, { "source": "CID:45934210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "solifenacin-erythrosine similarity", "source_label": "solifenacin", "target_label": "erythrosine", "cosine_similarity": 0.254435658454895 } }, { "source": "CID:180933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "chrysenequinone-EMF-sumo1-39 similarity", "source_label": "chrysenequinone", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.6365858912467957 } }, { "source": "CID:9363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "etamivan-AICA-ribonucleotide similarity", "source_label": "etamivan", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3125855028629303 } }, { "source": "CID:3447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9330", "properties": { "id": "gabexate-benactyzine similarity", "source_label": "gabexate", "target_label": "benactyzine", "cosine_similarity": 0.369731605052948 } }, { "source": "CID:25067890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "RK-682-UB-165 similarity", "source_label": "RK-682", "target_label": "UB-165", "cosine_similarity": 0.3739703595638275 } }, { "source": "CID:5572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2772764", "properties": { "id": "trihexyphenidyl-VU-0011562 similarity", "source_label": "trihexyphenidyl", "target_label": "VU-0011562", "cosine_similarity": 0.2141197472810745 } }, { "source": "CID:5083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "bisindolylmaleimide-ix-alvocidib similarity", "source_label": "bisindolylmaleimide-ix", "target_label": "alvocidib", "cosine_similarity": 0.7562860250473022 } }, { "source": "CID:4259181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "SCH-79797-trifluoperazine similarity", "source_label": "SCH-79797", "target_label": "trifluoperazine", "cosine_similarity": 0.4948216378688812 } }, { "source": "CID:10131112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2995", "properties": { "id": "EMD-386088-desipramine similarity", "source_label": "EMD-386088", "target_label": "desipramine", "cosine_similarity": 0.2924761176109314 } }, { "source": "CID:11012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708762", "properties": { "id": "gitoxigenin-periplocymarin similarity", "source_label": "gitoxigenin", "target_label": "periplocymarin", "cosine_similarity": 0.5374848246574402 } }, { "source": "CID:46869940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "VU-0415374-1-gossypin similarity", "source_label": "VU-0415374-1", "target_label": "gossypin", "cosine_similarity": 0.3224740326404571 } }, { "source": "CID:44607360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9933475", "properties": { "id": "WZ-3146-cediranib similarity", "source_label": "WZ-3146", "target_label": "cediranib", "cosine_similarity": 0.5040460228919983 } }, { "source": "CID:4105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760312", "properties": { "id": "met-leu-phe-inhibitor-BEC similarity", "source_label": "met-leu-phe", "target_label": "inhibitor-BEC", "cosine_similarity": 0.281019777059555 } }, { "source": "CID:62034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "lylamine-CGP-71683 similarity", "source_label": "lylamine", "target_label": "CGP-71683", "cosine_similarity": 0.5937379002571106 } }, { "source": "CID:6082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25419", "properties": { "id": "methoxamine-clodronic-acid similarity", "source_label": "methoxamine", "target_label": "clodronic-acid", "cosine_similarity": 0.2703147232532501 } }, { "source": "CID:5281750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "seneciphylline-hemado similarity", "source_label": "seneciphylline", "target_label": "hemado", "cosine_similarity": 0.3237409889698028 } }, { "source": "CID:13109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "levonorgestrel-valsartan similarity", "source_label": "levonorgestrel", "target_label": "valsartan", "cosine_similarity": 0.4683814346790313 } }, { "source": "CID:54658117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-1457810-SA-1920722 similarity", "source_label": "SA-1457810", "target_label": "SA-1920722", "cosine_similarity": 0.3483961224555969 } }, { "source": "CID:399698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "n-bromoacetyltryptamine-EMF-bca1-16 similarity", "source_label": "n-bromoacetyltryptamine", "target_label": "EMF-bca1-16", "cosine_similarity": 0.5718836784362793 } }, { "source": "CID:2725417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "RDR-01440SC-prima-1-met similarity", "source_label": "RDR-01440SC", "target_label": "prima-1-met", "cosine_similarity": 0.2721920907497406 } }, { "source": "CID:446916", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "MDL-29951-ifosfamide similarity", "source_label": "MDL-29951", "target_label": "ifosfamide", "cosine_similarity": 0.3873341679573059 } }, { "source": "CID:46901937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "UNC-0321-7-nitroindazole similarity", "source_label": "UNC-0321", "target_label": "7-nitroindazole", "cosine_similarity": 0.4358534514904022 } }, { "source": "CID:9223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "benzofuran-monocrotaline similarity", "source_label": "benzofuran", "target_label": "monocrotaline", "cosine_similarity": 0.2946081757545471 } }, { "source": "CID:60700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "topotecan-irinotecan similarity", "source_label": "topotecan", "target_label": "irinotecan", "cosine_similarity": 0.7331733703613281 } }, { "source": "CID:2817908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "JFD02227-SD-6-035-A3 similarity", "source_label": "JFD02227", "target_label": "SD-6-035-A3", "cosine_similarity": 0.2744853496551513 } }, { "source": "CID:9935249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "tipifarnib-PP-2 similarity", "source_label": "tipifarnib", "target_label": "PP-2", "cosine_similarity": 0.3549423813819885 } }, { "source": "CID:2129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10521421", "properties": { "id": "AM-92016-10-DEBC similarity", "source_label": "AM-92016", "target_label": "10-DEBC", "cosine_similarity": 0.2908750176429748 } }, { "source": "CID:6519698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "JIB04-VU-0418947-2 similarity", "source_label": "JIB04", "target_label": "VU-0418947-2", "cosine_similarity": 0.5410521030426025 } }, { "source": "CID:3101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707372", "properties": { "id": "diphenyleneiodonium-PP-30 similarity", "source_label": "diphenyleneiodonium", "target_label": "PP-30", "cosine_similarity": 0.3219031095504761 } }, { "source": "CID:15983966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "GSK-461364-NMS-1286937 similarity", "source_label": "GSK-461364", "target_label": "NMS-1286937", "cosine_similarity": 0.7813040614128113 } }, { "source": "CID:107751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "racecadotril-benzbromarone similarity", "source_label": "racecadotril", "target_label": "benzbromarone", "cosine_similarity": 0.48897784948349 } }, { "source": "CID:1361332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "SMI-4a-camicinal similarity", "source_label": "SMI-4a", "target_label": "camicinal", "cosine_similarity": 0.2959792017936706 } }, { "source": "CID:667601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "tyrphostin-47-dexloxiglumide similarity", "source_label": "tyrphostin-47", "target_label": "dexloxiglumide", "cosine_similarity": 0.2815567255020141 } }, { "source": "CID:443389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SB-221284-SA-424170 similarity", "source_label": "SB-221284", "target_label": "SA-424170", "cosine_similarity": 0.2756540477275848 } }, { "source": "CID:219104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11507802", "properties": { "id": "PX-12-LY-2183240 similarity", "source_label": "PX-12", "target_label": "LY-2183240", "cosine_similarity": 0.4615975320339203 } }, { "source": "CID:6610337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "dibutyrylcyclic-gmp-zebularine similarity", "source_label": "dibutyrylcyclic-gmp", "target_label": "zebularine", "cosine_similarity": 0.3167617619037628 } }, { "source": "CID:23606608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "EMF-sumo1-10-BMS-191011 similarity", "source_label": "EMF-sumo1-10", "target_label": "BMS-191011", "cosine_similarity": 0.3342811465263366 } }, { "source": "CID:6708725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857791", "properties": { "id": "gedunin-sappanone-a similarity", "source_label": "gedunin", "target_label": "sappanone-a", "cosine_similarity": 0.3672780394554138 } }, { "source": "CID:82755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4624", "properties": { "id": "hydroxytyrosol-oxidopamine similarity", "source_label": "hydroxytyrosol", "target_label": "oxidopamine", "cosine_similarity": 0.208242729306221 } }, { "source": "CID:3765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "isoguvacine-dinoprost similarity", "source_label": "isoguvacine", "target_label": "dinoprost", "cosine_similarity": 0.2084740102291107 } }, { "source": "CID:9860529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73010922", "properties": { "id": "NU-7026-ischemin similarity", "source_label": "NU-7026", "target_label": "ischemin", "cosine_similarity": 0.4812204241752624 } }, { "source": "CID:10294813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "genz-644282-topotecan similarity", "source_label": "genz-644282", "target_label": "topotecan", "cosine_similarity": 0.7914431095123291 } }, { "source": "CID:3000022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "MW-STK33-23-CGP-60474 similarity", "source_label": "MW-STK33-23", "target_label": "CGP-60474", "cosine_similarity": 0.5622209906578064 } }, { "source": "CID:3947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "lofepramine-RS-17053 similarity", "source_label": "lofepramine", "target_label": "RS-17053", "cosine_similarity": 0.2622196972370147 } }, { "source": "CID:60186945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507299", "properties": { "id": "SA-1938862-SA-247636 similarity", "source_label": "SA-1938862", "target_label": "SA-247636", "cosine_similarity": 0.298473984003067 } }, { "source": "CID:4078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "mesoridazine-myriocin similarity", "source_label": "mesoridazine", "target_label": "myriocin", "cosine_similarity": 0.3920773267745971 } }, { "source": "CID:44483939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3106", "properties": { "id": "SA-1944378-dipropyl-dopamine similarity", "source_label": "SA-1944378", "target_label": "dipropyl-dopamine", "cosine_similarity": 0.3271906971931457 } }, { "source": "CID:16773791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1032-BML-210 similarity", "source_label": "BG-1032", "target_label": "BML-210", "cosine_similarity": 0.6200123429298401 } }, { "source": "CID:44616738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185223", "properties": { "id": "SA-427228-SA-1939079 similarity", "source_label": "SA-427228", "target_label": "SA-1939079", "cosine_similarity": 0.3653452396392822 } }, { "source": "CID:49842983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SD-6-035-A2-phenothiazine similarity", "source_label": "SD-6-035-A2", "target_label": "phenothiazine", "cosine_similarity": 0.2311105579137802 } }, { "source": "CID:11667893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "motesanib-hypericin similarity", "source_label": "motesanib", "target_label": "hypericin", "cosine_similarity": 0.3965245485305786 } }, { "source": "CID:5277135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24770514", "properties": { "id": "elvitegravir-CPI-613 similarity", "source_label": "elvitegravir", "target_label": "CPI-613", "cosine_similarity": 0.2887772023677826 } }, { "source": "CID:192706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "phenserine-resatorvid similarity", "source_label": "phenserine", "target_label": "resatorvid", "cosine_similarity": 0.2697362303733825 } }, { "source": "CID:131747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214346", "properties": { "id": "SR-57227A-BCI-540 similarity", "source_label": "SR-57227A", "target_label": "BCI-540", "cosine_similarity": 0.359003335237503 } }, { "source": "CID:11984561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2318", "properties": { "id": "TH-302-benfluorex similarity", "source_label": "TH-302", "target_label": "benfluorex", "cosine_similarity": 0.3461726605892181 } }, { "source": "CID:7028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "pseudoephedrine-pregnenolone similarity", "source_label": "pseudoephedrine", "target_label": "pregnenolone", "cosine_similarity": 0.2990988492965698 } }, { "source": "CID:125312786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "KIN001-244-torin-1 similarity", "source_label": "KIN001-244", "target_label": "torin-1", "cosine_similarity": 0.3642959892749786 } }, { "source": "CID:3038525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "VX-745-JNJ-38877605 similarity", "source_label": "VX-745", "target_label": "JNJ-38877605", "cosine_similarity": 0.4739113748073578 } }, { "source": "CID:6185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "strophanthidin-bufalin similarity", "source_label": "strophanthidin", "target_label": "bufalin", "cosine_similarity": 0.7764103412628174 } }, { "source": "CID:639665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "xanthohumol-EMF-sumo1-39 similarity", "source_label": "xanthohumol", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4615235328674316 } }, { "source": "CID:3838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "KN-62-CAY-10594 similarity", "source_label": "KN-62", "target_label": "CAY-10594", "cosine_similarity": 0.5441529750823975 } }, { "source": "CID:73707399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187611", "properties": { "id": "SA-1458571-SA-1939838 similarity", "source_label": "SA-1458571", "target_label": "SA-1939838", "cosine_similarity": 0.4041982591152191 } }, { "source": "CID:5573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "trimebutine-aclidinium similarity", "source_label": "trimebutine", "target_label": "aclidinium", "cosine_similarity": 0.4416586458683014 } }, { "source": "CID:53708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "enoximone-sumatriptan similarity", "source_label": "enoximone", "target_label": "sumatriptan", "cosine_similarity": 0.2193531692028045 } }, { "source": "CID:861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "rathyronine-EMF-sumo1-6 similarity", "source_label": "rathyronine", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.315062403678894 } }, { "source": "CID:43231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4760", "properties": { "id": "clorsulon-phenindione similarity", "source_label": "clorsulon", "target_label": "phenindione", "cosine_similarity": 0.2500477731227875 } }, { "source": "CID:44484501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667764", "properties": { "id": "SA-244466-SA-1920756 similarity", "source_label": "SA-244466", "target_label": "SA-1920756", "cosine_similarity": 0.3402474820613861 } }, { "source": "CID:44498015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-97110-SA-1457188 similarity", "source_label": "SA-97110", "target_label": "SA-1457188", "cosine_similarity": 0.3052461147308349 } }, { "source": "CID:5095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159269", "properties": { "id": "ropinirole-telbivudine similarity", "source_label": "ropinirole", "target_label": "telbivudine", "cosine_similarity": 0.4653083980083465 } }, { "source": "CID:123618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11597537", "properties": { "id": "tecastemizole-CC-930 similarity", "source_label": "tecastemizole", "target_label": "CC-930", "cosine_similarity": 0.3715737760066986 } }, { "source": "CID:3472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "gimeracil-LY-2886721 similarity", "source_label": "gimeracil", "target_label": "LY-2886721", "cosine_similarity": 0.5506482124328613 } }, { "source": "CID:16395057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5310966", "properties": { "id": "pinitol-varenicline similarity", "source_label": "pinitol", "target_label": "varenicline", "cosine_similarity": 0.3041778802871704 } }, { "source": "CID:2126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "AM-580-orciprenaline similarity", "source_label": "AM-580", "target_label": "orciprenaline", "cosine_similarity": 0.5515578389167786 } }, { "source": "CID:5352062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918837", "properties": { "id": "romidepsin-panobinostat similarity", "source_label": "romidepsin", "target_label": "panobinostat", "cosine_similarity": 0.9294694066047668 } }, { "source": "CID:2165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2170", "properties": { "id": "amodiaquine-amoxapine similarity", "source_label": "amodiaquine", "target_label": "amoxapine", "cosine_similarity": 0.3785170614719391 } }, { "source": "CID:11687907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219271", "properties": { "id": "MSX-122-EBPC similarity", "source_label": "MSX-122", "target_label": "EBPC", "cosine_similarity": 0.2561728358268738 } }, { "source": "CID:42636350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "AZD-7687-cholic-acid similarity", "source_label": "AZD-7687", "target_label": "cholic-acid", "cosine_similarity": 0.5463061332702637 } }, { "source": "CID:4062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "mepivacaine-pinacidil similarity", "source_label": "mepivacaine", "target_label": "pinacidil", "cosine_similarity": 0.7804655432701111 } }, { "source": "CID:46843057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24964624", "properties": { "id": "GSK-2110183-MK-2206 similarity", "source_label": "GSK-2110183", "target_label": "MK-2206", "cosine_similarity": 0.4055306911468506 } }, { "source": "CID:9681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "methysergide-fluoropyruvate similarity", "source_label": "methysergide", "target_label": "fluoropyruvate", "cosine_similarity": 0.3017314374446869 } }, { "source": "CID:11167602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "regorafenib-ponatinib similarity", "source_label": "regorafenib", "target_label": "ponatinib", "cosine_similarity": 0.5258721113204956 } }, { "source": "CID:148201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "tariquidar-imatinib similarity", "source_label": "tariquidar", "target_label": "imatinib", "cosine_similarity": 0.2824833989143371 } }, { "source": "CID:24771867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51346455", "properties": { "id": "alisertib-PF-03814735 similarity", "source_label": "alisertib", "target_label": "PF-03814735", "cosine_similarity": 0.4394584000110626 } }, { "source": "CID:4071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "mercaptopurine-azacitidine similarity", "source_label": "mercaptopurine", "target_label": "azacitidine", "cosine_similarity": 0.2683710157871246 } }, { "source": "CID:6173479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "MW-STK33-4A-phenethyl-isothiocyanate similarity", "source_label": "MW-STK33-4A", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.2502519488334656 } }, { "source": "CID:839770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124172", "properties": { "id": "RAN-14B-SC-9 similarity", "source_label": "RAN-14B", "target_label": "SC-9", "cosine_similarity": 0.2589651048183441 } }, { "source": "CID:4946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "propranolol-latanoprost similarity", "source_label": "propranolol", "target_label": "latanoprost", "cosine_similarity": 0.3003366887569427 } }, { "source": "CID:54660156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-1459854-SA-85148 similarity", "source_label": "SA-1459854", "target_label": "SA-85148", "cosine_similarity": 0.2793438732624054 } }, { "source": "CID:73078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "tetrandrine-obatoclax similarity", "source_label": "tetrandrine", "target_label": "obatoclax", "cosine_similarity": 0.7100041508674622 } }, { "source": "CID:4189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "miconazole-cefoperazone similarity", "source_label": "miconazole", "target_label": "cefoperazone", "cosine_similarity": 0.2576667368412018 } }, { "source": "CID:4680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "papaverine-griseofulvin similarity", "source_label": "papaverine", "target_label": "griseofulvin", "cosine_similarity": 0.3311476111412048 } }, { "source": "CID:91588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "salsolinol-PJ-34 similarity", "source_label": "salsolinol", "target_label": "PJ-34", "cosine_similarity": 0.2974835932254791 } }, { "source": "CID:5284513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "acitretin-troglitazone similarity", "source_label": "acitretin", "target_label": "troglitazone", "cosine_similarity": 0.2688686847686767 } }, { "source": "CID:444029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9853053", "properties": { "id": "colforsin-daproate-lomitapide similarity", "source_label": "colforsin-daproate", "target_label": "lomitapide", "cosine_similarity": 0.2366966009140014 } }, { "source": "CID:177236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "darusentan-salermide similarity", "source_label": "darusentan", "target_label": "salermide", "cosine_similarity": 0.1416698843240738 } }, { "source": "CID:72199293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1383884", "properties": { "id": "EI1-URB-597 similarity", "source_label": "EI1", "target_label": "URB-597", "cosine_similarity": 0.3099983632564544 } }, { "source": "CID:2466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "bufexamac-Y-134 similarity", "source_label": "bufexamac", "target_label": "Y-134", "cosine_similarity": 0.2738740444183349 } }, { "source": "CID:223368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "equilin-GDC-0199 similarity", "source_label": "equilin", "target_label": "GDC-0199", "cosine_similarity": 0.397862434387207 } }, { "source": "CID:50312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "fiacitabine-SB-683698 similarity", "source_label": "fiacitabine", "target_label": "SB-683698", "cosine_similarity": 0.2989722788333893 } }, { "source": "CID:44623834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3646984", "properties": { "id": "KU-C104219-F-1061-0166 similarity", "source_label": "KU-C104219", "target_label": "F-1061-0166", "cosine_similarity": 0.1983060091733932 } }, { "source": "CID:41867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "epirubicin-doxorubicin similarity", "source_label": "epirubicin", "target_label": "doxorubicin", "cosine_similarity": 0.8539475798606873 } }, { "source": "CID:6560164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "azlocillin-SJ-172550 similarity", "source_label": "azlocillin", "target_label": "SJ-172550", "cosine_similarity": 0.279780626296997 } }, { "source": "CID:11360391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "A-769662-azathioprine similarity", "source_label": "A-769662", "target_label": "azathioprine", "cosine_similarity": 0.3541085720062256 } }, { "source": "CID:14113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "fenigam-temozolomide similarity", "source_label": "fenigam", "target_label": "temozolomide", "cosine_similarity": 0.2633989453315735 } }, { "source": "CID:71447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3162", "properties": { "id": "talampicillin-doxylamine similarity", "source_label": "talampicillin", "target_label": "doxylamine", "cosine_similarity": 0.2943035960197449 } }, { "source": "CID:2853753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "CCT-031374-UNC-0638 similarity", "source_label": "CCT-031374", "target_label": "UNC-0638", "cosine_similarity": 0.7427119016647339 } }, { "source": "CID:698112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "AEG-3482-AG-957 similarity", "source_label": "AEG-3482", "target_label": "AG-957", "cosine_similarity": 0.4379305839538574 } }, { "source": "CID:2266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "azelaic-acid-dienestrol similarity", "source_label": "azelaic-acid", "target_label": "dienestrol", "cosine_similarity": 0.3659902513027191 } }, { "source": "CID:129009888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "ursodiol-naftidrofuryl similarity", "source_label": "ursodiol", "target_label": "naftidrofuryl", "cosine_similarity": 0.4150794148445129 } }, { "source": "CID:5906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16126898", "properties": { "id": "metaraminol-VTP-27999 similarity", "source_label": "metaraminol", "target_label": "VTP-27999", "cosine_similarity": 0.1994737535715103 } }, { "source": "CID:60186978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620657", "properties": { "id": "SA-1938219-SA-424233 similarity", "source_label": "SA-1938219", "target_label": "SA-424233", "cosine_similarity": 0.3096394836902618 } }, { "source": "CID:92727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2182", "properties": { "id": "lopinavir-anagrelide similarity", "source_label": "lopinavir", "target_label": "anagrelide", "cosine_similarity": 0.3689518272876739 } }, { "source": "CID:4888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "pranoprofen-danegaptide similarity", "source_label": "pranoprofen", "target_label": "danegaptide", "cosine_similarity": 0.2189735919237136 } }, { "source": "CID:443872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5487", "properties": { "id": "eplerenone-tizanidine similarity", "source_label": "eplerenone", "target_label": "tizanidine", "cosine_similarity": 0.3651615977287292 } }, { "source": "CID:5702003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "mitomycin-c-floxuridine similarity", "source_label": "mitomycin-c", "target_label": "floxuridine", "cosine_similarity": 0.7836058139801025 } }, { "source": "CID:2370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "bethanechol-SMER-28 similarity", "source_label": "bethanechol", "target_label": "SMER-28", "cosine_similarity": 0.2550396621227264 } }, { "source": "CID:11581936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "PF-02545920-salmeterol similarity", "source_label": "PF-02545920", "target_label": "salmeterol", "cosine_similarity": 0.346835732460022 } }, { "source": "CID:27400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "pizotifen-trifluoperazine similarity", "source_label": "pizotifen", "target_label": "trifluoperazine", "cosine_similarity": 0.3153558373451233 } }, { "source": "CID:9891901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "NGB-2904-VER-155008 similarity", "source_label": "NGB-2904", "target_label": "VER-155008", "cosine_similarity": 0.2315940111875534 } }, { "source": "CID:10687292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "cytosporone-b-sparfosic-acid similarity", "source_label": "cytosporone-b", "target_label": "sparfosic-acid", "cosine_similarity": 0.4667370021343231 } }, { "source": "CID:449171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "alitretinoin-tamibarotene similarity", "source_label": "alitretinoin", "target_label": "tamibarotene", "cosine_similarity": 0.4306329786777496 } }, { "source": "CID:3579925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "PHCCC-linsidomine similarity", "source_label": "PHCCC", "target_label": "linsidomine", "cosine_similarity": 0.2772037982940674 } }, { "source": "CID:108046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33630", "properties": { "id": "BMY-14802-penfluridol similarity", "source_label": "BMY-14802", "target_label": "penfluridol", "cosine_similarity": 0.4560787975788116 } }, { "source": "CID:44504326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "SA-103013-fananserin similarity", "source_label": "SA-103013", "target_label": "fananserin", "cosine_similarity": 0.3172608017921448 } }, { "source": "CID:178024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "ibutamoren-vismodegib similarity", "source_label": "ibutamoren", "target_label": "vismodegib", "cosine_similarity": 0.4721094369888305 } }, { "source": "CID:6711154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5941539", "properties": { "id": "CGP-53353-SU-1498 similarity", "source_label": "CGP-53353", "target_label": "SU-1498", "cosine_similarity": 0.2738232910633087 } }, { "source": "CID:4284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "diethyltoluamide-AICA-ribonucleotide similarity", "source_label": "diethyltoluamide", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2563616037368774 } }, { "source": "CID:4788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "phloretin-vemurafenib similarity", "source_label": "phloretin", "target_label": "vemurafenib", "cosine_similarity": 0.4882358610630035 } }, { "source": "CID:94701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "diprotin-a-DAC-013 similarity", "source_label": "diprotin-a", "target_label": "DAC-013", "cosine_similarity": 0.2610222101211548 } }, { "source": "CID:44246708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "minocycline-PD-198306 similarity", "source_label": "minocycline", "target_label": "PD-198306", "cosine_similarity": 0.3584271073341369 } }, { "source": "CID:14520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "citiolone-iniparib similarity", "source_label": "citiolone", "target_label": "iniparib", "cosine_similarity": 0.2704199552536011 } }, { "source": "CID:16741282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "SDM-25N-leu-enkephalin similarity", "source_label": "SDM-25N", "target_label": "leu-enkephalin", "cosine_similarity": 0.3020322024822235 } }, { "source": "CID:44616738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-427228-FTI-276 similarity", "source_label": "SA-427228", "target_label": "FTI-276", "cosine_similarity": 0.2926085591316223 } }, { "source": "CID:4233538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68210102", "properties": { "id": "NAS-181-GSK-2816126 similarity", "source_label": "NAS-181", "target_label": "GSK-2816126", "cosine_similarity": 0.2331620007753372 } }, { "source": "CID:2141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "amifostine-thiazolopyrimidine similarity", "source_label": "amifostine", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3709005713462829 } }, { "source": "CID:122335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2022", "properties": { "id": "efaproxiral-acyclovir similarity", "source_label": "efaproxiral", "target_label": "acyclovir", "cosine_similarity": 0.4039665460586548 } }, { "source": "CID:5311047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "cisapride-griseofulvin similarity", "source_label": "cisapride", "target_label": "griseofulvin", "cosine_similarity": 0.5129895210266113 } }, { "source": "CID:2540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282379", "properties": { "id": "candesartan-cilextil-isotretinoin similarity", "source_label": "candesartan-cilextil", "target_label": "isotretinoin", "cosine_similarity": 0.2780186831951141 } }, { "source": "CID:5282440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "ozagrel-risperidone similarity", "source_label": "ozagrel", "target_label": "risperidone", "cosine_similarity": 0.4289266765117645 } }, { "source": "CID:73707536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "BG-1007-vorinostat similarity", "source_label": "BG-1007", "target_label": "vorinostat", "cosine_similarity": 0.4948189854621887 } }, { "source": "CID:6675804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "tubacin-valproic-acid similarity", "source_label": "tubacin", "target_label": "valproic-acid", "cosine_similarity": 0.4897362291812897 } }, { "source": "CID:1794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "hexamethyleneamiloride-sibutramine similarity", "source_label": "hexamethyleneamiloride", "target_label": "sibutramine", "cosine_similarity": 0.2669885754585266 } }, { "source": "CID:11609586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "serdemetan-CAY-10594 similarity", "source_label": "serdemetan", "target_label": "CAY-10594", "cosine_similarity": 0.4652098715305328 } }, { "source": "CID:38258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "imidazolidinyl-urea-UB-165 similarity", "source_label": "imidazolidinyl-urea", "target_label": "UB-165", "cosine_similarity": 0.203225091099739 } }, { "source": "CID:9681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "methysergide-AR-A014418 similarity", "source_label": "methysergide", "target_label": "AR-A014418", "cosine_similarity": 0.3125570714473724 } }, { "source": "CID:25262792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "AZD-2014-AZD-8055 similarity", "source_label": "AZD-2014", "target_label": "AZD-8055", "cosine_similarity": 0.7872501015663147 } }, { "source": "CID:17759555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "cyanoquinoline-11-Ro-28-1675 similarity", "source_label": "cyanoquinoline-11", "target_label": "Ro-28-1675", "cosine_similarity": 0.4309132397174835 } }, { "source": "CID:9914412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398510", "properties": { "id": "ZM-447439-dovitinib similarity", "source_label": "ZM-447439", "target_label": "dovitinib", "cosine_similarity": 0.2818653881549835 } }, { "source": "CID:4369359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70882", "properties": { "id": "sitagliptin-moxaverine similarity", "source_label": "sitagliptin", "target_label": "moxaverine", "cosine_similarity": 0.2875040769577026 } }, { "source": "CID:1359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "TRIM-6-chloromelatonin similarity", "source_label": "TRIM", "target_label": "6-chloromelatonin", "cosine_similarity": 0.4938222765922546 } }, { "source": "CID:2765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "cirazoline-UNC-1215 similarity", "source_label": "cirazoline", "target_label": "UNC-1215", "cosine_similarity": 0.2469980120658874 } }, { "source": "CID:4754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "phenacetin-PRIMA1 similarity", "source_label": "phenacetin", "target_label": "PRIMA1", "cosine_similarity": 0.2572052478790283 } }, { "source": "CID:16736529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135564985", "properties": { "id": "BIIB-021-ganetespib similarity", "source_label": "BIIB-021", "target_label": "ganetespib", "cosine_similarity": 0.8587309718132019 } }, { "source": "CID:86101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "epidepride-SA-1463838 similarity", "source_label": "epidepride", "target_label": "SA-1463838", "cosine_similarity": 0.2081073969602584 } }, { "source": "CID:44506630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "SA-247384-tacedinaline similarity", "source_label": "SA-247384", "target_label": "tacedinaline", "cosine_similarity": 0.5537285208702087 } }, { "source": "CID:46943432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "I-BET-762-OTX-015 similarity", "source_label": "I-BET-762", "target_label": "OTX-015", "cosine_similarity": 0.8076143860816956 } }, { "source": "CID:2951172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "EMF-sumo1-6-TCPOBOP similarity", "source_label": "EMF-sumo1-6", "target_label": "TCPOBOP", "cosine_similarity": 0.3933357000350952 } }, { "source": "CID:21678144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4552", "properties": { "id": "DPO-1-NS-1619 similarity", "source_label": "DPO-1", "target_label": "NS-1619", "cosine_similarity": 0.1625750660896301 } }, { "source": "CID:3559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "haloperidol-vandetanib similarity", "source_label": "haloperidol", "target_label": "vandetanib", "cosine_similarity": 0.4550546407699585 } }, { "source": "CID:34312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65599", "properties": { "id": "oxcarbazepine-lomifylline similarity", "source_label": "oxcarbazepine", "target_label": "lomifylline", "cosine_similarity": 0.3719371557235718 } }, { "source": "CID:1354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "m-chlorophenylbiguanide-herniarin similarity", "source_label": "m-chlorophenylbiguanide", "target_label": "herniarin", "cosine_similarity": 0.2315701842308044 } }, { "source": "CID:44483939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500998", "properties": { "id": "SA-1944378-SA-245650 similarity", "source_label": "SA-1944378", "target_label": "SA-245650", "cosine_similarity": 0.3283377885818481 } }, { "source": "CID:892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "inositol-gliclazide similarity", "source_label": "inositol", "target_label": "gliclazide", "cosine_similarity": 0.795416533946991 } }, { "source": "CID:73707604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195294", "properties": { "id": "avicin-g-LDN-193189 similarity", "source_label": "avicin-g", "target_label": "LDN-193189", "cosine_similarity": 0.426839143037796 } }, { "source": "CID:128563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "salvinorin-a-finasteride similarity", "source_label": "salvinorin-a", "target_label": "finasteride", "cosine_similarity": 0.3854018151760101 } }, { "source": "CID:51634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "miglustat-bupropion similarity", "source_label": "miglustat", "target_label": "bupropion", "cosine_similarity": 0.4320728182792663 } }, { "source": "CID:2585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "carvedilol-latanoprost similarity", "source_label": "carvedilol", "target_label": "latanoprost", "cosine_similarity": 0.4274422526359558 } }, { "source": "CID:135398745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "olanzapine-nateglinide similarity", "source_label": "olanzapine", "target_label": "nateglinide", "cosine_similarity": 0.3606642484664917 } }, { "source": "CID:7073234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72390", "properties": { "id": "catharanthine-thiazolidinecarboxylic-acid similarity", "source_label": "catharanthine", "target_label": "thiazolidinecarboxylic-acid", "cosine_similarity": 0.1834623962640762 } }, { "source": "CID:2320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "benfotiamine-venlafaxine similarity", "source_label": "benfotiamine", "target_label": "venlafaxine", "cosine_similarity": 0.215760126709938 } }, { "source": "CID:4353886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311304", "properties": { "id": "FR-139317-nalbuphine similarity", "source_label": "FR-139317", "target_label": "nalbuphine", "cosine_similarity": 0.2748732268810272 } }, { "source": "CID:24747272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747213", "properties": { "id": "PSH-023-PSH-008 similarity", "source_label": "PSH-023", "target_label": "PSH-008", "cosine_similarity": 0.2994168400764465 } }, { "source": "CID:3052776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "rasagiline-methimazole similarity", "source_label": "rasagiline", "target_label": "methimazole", "cosine_similarity": 0.3795560300350189 } }, { "source": "CID:2326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "benproperine-MK-212 similarity", "source_label": "benproperine", "target_label": "MK-212", "cosine_similarity": 0.3463623523712158 } }, { "source": "CID:3639", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "hydrochlorothiazide-tolazamide similarity", "source_label": "hydrochlorothiazide", "target_label": "tolazamide", "cosine_similarity": 0.2302273213863372 } }, { "source": "CID:2663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "celiprolol-SA-1937536 similarity", "source_label": "celiprolol", "target_label": "SA-1937536", "cosine_similarity": 0.2115598171949386 } }, { "source": "CID:15951529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "enzalutamide-PK-11195 similarity", "source_label": "enzalutamide", "target_label": "PK-11195", "cosine_similarity": 0.5300578474998474 } }, { "source": "CID:15548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3913", "properties": { "id": "laudanosine-tetramisole similarity", "source_label": "laudanosine", "target_label": "tetramisole", "cosine_similarity": 0.2718320786952972 } }, { "source": "CID:1282817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44247542", "properties": { "id": "KUC104240N-VU-0402604 similarity", "source_label": "KUC104240N", "target_label": "VU-0402604", "cosine_similarity": 0.2452488988637924 } }, { "source": "CID:25118059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918837", "properties": { "id": "BG-1005-panobinostat similarity", "source_label": "BG-1005", "target_label": "panobinostat", "cosine_similarity": 0.7774247527122498 } }, { "source": "CID:11646777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3767", "properties": { "id": "LY-2334737-isoniazid similarity", "source_label": "LY-2334737", "target_label": "isoniazid", "cosine_similarity": 0.2649165391921997 } }, { "source": "CID:24857885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "PTB1-pregnenolone similarity", "source_label": "PTB1", "target_label": "pregnenolone", "cosine_similarity": 0.4474466145038605 } }, { "source": "CID:4020240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "sericetin-T-5345967 similarity", "source_label": "sericetin", "target_label": "T-5345967", "cosine_similarity": 0.2652563154697418 } }, { "source": "CID:12791166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1126109", "properties": { "id": "ketocholesterol-JX-401 similarity", "source_label": "ketocholesterol", "target_label": "JX-401", "cosine_similarity": 0.2199998646974563 } }, { "source": "CID:54657689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "SA-1973507-NNC-55-0396 similarity", "source_label": "SA-1973507", "target_label": "NNC-55-0396", "cosine_similarity": 0.6391401290893555 } }, { "source": "CID:49806720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57345410", "properties": { "id": "alectinib-EPZ-5676 similarity", "source_label": "alectinib", "target_label": "EPZ-5676", "cosine_similarity": 0.3067004382610321 } }, { "source": "CID:124246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "iguratimod-BMY-14802 similarity", "source_label": "iguratimod", "target_label": "BMY-14802", "cosine_similarity": 0.5258435010910034 } }, { "source": "CID:44494424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54618085", "properties": { "id": "SA-103021-SA-424068 similarity", "source_label": "SA-103021", "target_label": "SA-424068", "cosine_similarity": 0.3558573424816131 } }, { "source": "CID:53377448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "ML-281-MW-STK33-100 similarity", "source_label": "ML-281", "target_label": "MW-STK33-100", "cosine_similarity": 0.3650646507740021 } }, { "source": "CID:73707542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "BG-1024-tacedinaline similarity", "source_label": "BG-1024", "target_label": "tacedinaline", "cosine_similarity": 0.5813382267951965 } }, { "source": "CID:5282379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "isotretinoin-alitretinoin similarity", "source_label": "isotretinoin", "target_label": "alitretinoin", "cosine_similarity": 0.367715060710907 } }, { "source": "CID:3336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66558664", "properties": { "id": "fendiline-E-7438 similarity", "source_label": "fendiline", "target_label": "E-7438", "cosine_similarity": 0.3211113512516022 } }, { "source": "CID:5702164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "puromycin-EMF-sumo1-39 similarity", "source_label": "puromycin", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7128105163574219 } }, { "source": "CID:3401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "flutrimazole-tolnaftate similarity", "source_label": "flutrimazole", "target_label": "tolnaftate", "cosine_similarity": 0.3308791220188141 } }, { "source": "CID:71234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130313", "properties": { "id": "nicaraven-sulbactam similarity", "source_label": "nicaraven", "target_label": "sulbactam", "cosine_similarity": 0.39478400349617 } }, { "source": "CID:92095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282136", "properties": { "id": "PYM-50028-lafutidine similarity", "source_label": "PYM-50028", "target_label": "lafutidine", "cosine_similarity": 0.5133079290390015 } }, { "source": "CID:54669029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708769", "properties": { "id": "SA-1921574-buddleoflavonoloside similarity", "source_label": "SA-1921574", "target_label": "buddleoflavonoloside", "cosine_similarity": 0.2993671298027038 } }, { "source": "CID:2732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3677", "properties": { "id": "chlortalidone-mephentermine similarity", "source_label": "chlortalidone", "target_label": "mephentermine", "cosine_similarity": 0.3954491019248962 } }, { "source": "CID:6419931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "methyl-hydantoin-ICI-162846 similarity", "source_label": "methyl-hydantoin", "target_label": "ICI-162846", "cosine_similarity": 0.2374915778636932 } }, { "source": "CID:73707538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1009-BG-1016 similarity", "source_label": "BG-1009", "target_label": "BG-1016", "cosine_similarity": 0.4422672390937805 } }, { "source": "CID:44505892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-419090-SA-103013 similarity", "source_label": "SA-419090", "target_label": "SA-103013", "cosine_similarity": 0.3375189006328583 } }, { "source": "CID:3025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5319", "properties": { "id": "cinchocaine-sulfabenzamide similarity", "source_label": "cinchocaine", "target_label": "sulfabenzamide", "cosine_similarity": 0.2061747610569 } }, { "source": "CID:183782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "RS-67333-FTI-276 similarity", "source_label": "RS-67333", "target_label": "FTI-276", "cosine_similarity": 0.2164599746465683 } }, { "source": "CID:2244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41781", "properties": { "id": "aspirin-torasemide similarity", "source_label": "aspirin", "target_label": "torasemide", "cosine_similarity": 0.4288033545017242 } }, { "source": "CID:2182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "anagrelide-oncrasin-1 similarity", "source_label": "anagrelide", "target_label": "oncrasin-1", "cosine_similarity": 0.3961344063282013 } }, { "source": "CID:62824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "ICI-63197-UNC-0321 similarity", "source_label": "ICI-63197", "target_label": "UNC-0321", "cosine_similarity": 0.3222453892230987 } }, { "source": "CID:753704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "SKI-II-SA-792709 similarity", "source_label": "SKI-II", "target_label": "SA-792709", "cosine_similarity": 0.6005944013595581 } }, { "source": "CID:13292831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "prostaglandin-AG-957 similarity", "source_label": "prostaglandin", "target_label": "AG-957", "cosine_similarity": 0.4228436648845672 } }, { "source": "CID:24747215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "JAS07-007-KU-C104248 similarity", "source_label": "JAS07-007", "target_label": "KU-C104248", "cosine_similarity": 0.2947192192077636 } }, { "source": "CID:2662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "celecoxib-hydrocortisone similarity", "source_label": "celecoxib", "target_label": "hydrocortisone", "cosine_similarity": 0.6701995134353638 } }, { "source": "CID:771910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "ITSA-1-erythrosine similarity", "source_label": "ITSA-1", "target_label": "erythrosine", "cosine_similarity": 0.3309779763221741 } }, { "source": "CID:25181195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "PI-828-wortmannin similarity", "source_label": "PI-828", "target_label": "wortmannin", "cosine_similarity": 0.703863263130188 } }, { "source": "CID:4488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160254", "properties": { "id": "niflumic-acid-cryptotanshinone similarity", "source_label": "niflumic-acid", "target_label": "cryptotanshinone", "cosine_similarity": 0.2610440850257873 } }, { "source": "CID:24747213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747272", "properties": { "id": "PSH-008-PSH-023 similarity", "source_label": "PSH-008", "target_label": "PSH-023", "cosine_similarity": 0.2994168400764465 } }, { "source": "CID:9615346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "cefepime-tipiracil similarity", "source_label": "cefepime", "target_label": "tipiracil", "cosine_similarity": 0.7123017907142639 } }, { "source": "CID:49806720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "alectinib-GW-501516 similarity", "source_label": "alectinib", "target_label": "GW-501516", "cosine_similarity": 0.3719746768474579 } }, { "source": "CID:54658205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1456102-SA-419050 similarity", "source_label": "SA-1456102", "target_label": "SA-419050", "cosine_similarity": 0.3305080831050873 } }, { "source": "CID:54766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "bambuterol-tolcapone similarity", "source_label": "bambuterol", "target_label": "tolcapone", "cosine_similarity": 0.326121062040329 } }, { "source": "CID:3293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "ethoxyquin-sibutramine similarity", "source_label": "ethoxyquin", "target_label": "sibutramine", "cosine_similarity": 0.2121850550174713 } }, { "source": "CID:5334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "sulfanitran-2-phenylmelatonin similarity", "source_label": "sulfanitran", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.5035760402679443 } }, { "source": "CID:180559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "esatenolol-IDRA-21 similarity", "source_label": "esatenolol", "target_label": "IDRA-21", "cosine_similarity": 0.257941722869873 } }, { "source": "CID:56959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46199646", "properties": { "id": "ranolazine-VX-661 similarity", "source_label": "ranolazine", "target_label": "VX-661", "cosine_similarity": 0.3270753920078277 } }, { "source": "CID:6473767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502953", "properties": { "id": "picrotoxin-SD-6-035-B4 similarity", "source_label": "picrotoxin", "target_label": "SD-6-035-B4", "cosine_similarity": 0.268902450799942 } }, { "source": "CID:3213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:435678", "properties": { "id": "ellipticine-HLI-373 similarity", "source_label": "ellipticine", "target_label": "HLI-373", "cosine_similarity": 0.6020117402076721 } }, { "source": "CID:454217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42623900", "properties": { "id": "prostratin-QS-11 similarity", "source_label": "prostratin", "target_label": "QS-11", "cosine_similarity": 0.4745312929153442 } }, { "source": "CID:3038525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "VX-745-KIN001-269 similarity", "source_label": "VX-745", "target_label": "KIN001-269", "cosine_similarity": 0.5189615488052368 } }, { "source": "CID:5906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3374", "properties": { "id": "metaraminol-flumequine similarity", "source_label": "metaraminol", "target_label": "flumequine", "cosine_similarity": 0.1907509267330169 } }, { "source": "CID:54657740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186845", "properties": { "id": "SA-1456570-SA-1938757 similarity", "source_label": "SA-1456570", "target_label": "SA-1938757", "cosine_similarity": 0.2448932379484176 } }, { "source": "CID:23919667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3036864", "properties": { "id": "DY-44-SCH-23390 similarity", "source_label": "DY-44", "target_label": "SCH-23390", "cosine_similarity": 0.2716765999794006 } }, { "source": "CID:10186367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "CT-7758-cabergoline similarity", "source_label": "CT-7758", "target_label": "cabergoline", "cosine_similarity": 0.4297123551368713 } }, { "source": "CID:3965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3902", "properties": { "id": "loxoprofen-letrozole similarity", "source_label": "loxoprofen", "target_label": "letrozole", "cosine_similarity": 0.4443319737911224 } }, { "source": "CID:23748511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "III606050-I-505056 similarity", "source_label": "III606050", "target_label": "I-505056", "cosine_similarity": 0.4086572527885437 } }, { "source": "CID:2946732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "STK-111867-zebularine similarity", "source_label": "STK-111867", "target_label": "zebularine", "cosine_similarity": 0.325014978647232 } }, { "source": "CID:464205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "tenofovir-herniarin similarity", "source_label": "tenofovir", "target_label": "herniarin", "cosine_similarity": 0.3490663766860962 } }, { "source": "CID:45375953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "MLN-0128-KU-0063794 similarity", "source_label": "MLN-0128", "target_label": "KU-0063794", "cosine_similarity": 0.8233805894851685 } }, { "source": "CID:3035842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "immepip-levocabastine similarity", "source_label": "immepip", "target_label": "levocabastine", "cosine_similarity": 0.2855561971664428 } }, { "source": "CID:46695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "salsoline-gramine similarity", "source_label": "salsoline", "target_label": "gramine", "cosine_similarity": 0.3167795538902282 } }, { "source": "CID:11719003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "BVD-523-MEK-162 similarity", "source_label": "BVD-523", "target_label": "MEK-162", "cosine_similarity": 0.6242501139640808 } }, { "source": "CID:5282593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "homatropine-vecuronium similarity", "source_label": "homatropine", "target_label": "vecuronium", "cosine_similarity": 0.2764011919498443 } }, { "source": "CID:9806489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "ZK-164015-NNC-55-0396 similarity", "source_label": "ZK-164015", "target_label": "NNC-55-0396", "cosine_similarity": 0.5343483686447144 } }, { "source": "CID:3767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9690109", "properties": { "id": "isoniazid-armodafinil similarity", "source_label": "isoniazid", "target_label": "armodafinil", "cosine_similarity": 0.430465817451477 } }, { "source": "CID:135398506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "SB-590885-SAR-245408 similarity", "source_label": "SB-590885", "target_label": "SAR-245408", "cosine_similarity": 0.3344016373157501 } }, { "source": "CID:2757788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "4-chlorophenylguanidine-phenyl-aminosalicylate similarity", "source_label": "4-chlorophenylguanidine", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.3024825155735016 } }, { "source": "CID:5280953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "harmine-lenalidomide similarity", "source_label": "harmine", "target_label": "lenalidomide", "cosine_similarity": 0.4793879389762878 } }, { "source": "CID:5219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "linsidomine-sodium-gualenate similarity", "source_label": "linsidomine", "target_label": "sodium-gualenate", "cosine_similarity": 0.5665916800498962 } }, { "source": "CID:4071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6803", "properties": { "id": "mercaptopurine-tioguanine similarity", "source_label": "mercaptopurine", "target_label": "tioguanine", "cosine_similarity": 0.3104692995548248 } }, { "source": "CID:23986045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "karakoline-guanabenz similarity", "source_label": "karakoline", "target_label": "guanabenz", "cosine_similarity": 0.3325304985046386 } }, { "source": "CID:165404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "L-ergothioneine-molsidomine similarity", "source_label": "L-ergothioneine", "target_label": "molsidomine", "cosine_similarity": 0.8148345351219177 } }, { "source": "CID:4601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052776", "properties": { "id": "orphenadrine-rasagiline similarity", "source_label": "orphenadrine", "target_label": "rasagiline", "cosine_similarity": 0.3815073668956756 } }, { "source": "CID:2214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "apocynin-resatorvid similarity", "source_label": "apocynin", "target_label": "resatorvid", "cosine_similarity": 0.621636152267456 } }, { "source": "CID:17142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "teroxirone-E-2012 similarity", "source_label": "teroxirone", "target_label": "E-2012", "cosine_similarity": 0.2816464602947235 } }, { "source": "CID:4211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6839", "properties": { "id": "mitotane-phensuximide similarity", "source_label": "mitotane", "target_label": "phensuximide", "cosine_similarity": 0.3296213746070862 } }, { "source": "CID:1282817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "KUC104240N-oxaprozin similarity", "source_label": "KUC104240N", "target_label": "oxaprozin", "cosine_similarity": 0.2600225806236267 } }, { "source": "CID:1935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "tacrine-CV-1808 similarity", "source_label": "tacrine", "target_label": "CV-1808", "cosine_similarity": 0.3108839690685272 } }, { "source": "CID:54654437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "SA-1472734-leu-enkephalin similarity", "source_label": "SA-1472734", "target_label": "leu-enkephalin", "cosine_similarity": 0.3170012831687927 } }, { "source": "CID:54685921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "hispidin-SA-1937536 similarity", "source_label": "hispidin", "target_label": "SA-1937536", "cosine_similarity": 0.3062857389450073 } }, { "source": "CID:5073", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5002", "properties": { "id": "risperidone-quetiapine similarity", "source_label": "risperidone", "target_label": "quetiapine", "cosine_similarity": 0.542312502861023 } }, { "source": "CID:57662985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "BMS-833923-fluvoxamine similarity", "source_label": "BMS-833923", "target_label": "fluvoxamine", "cosine_similarity": 0.32013139128685 } }, { "source": "CID:9838712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "reparixin-venlafaxine similarity", "source_label": "reparixin", "target_label": "venlafaxine", "cosine_similarity": 0.3360951542854309 } }, { "source": "CID:54659868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "SA-1459031-SA-90471 similarity", "source_label": "SA-1459031", "target_label": "SA-90471", "cosine_similarity": 0.420866459608078 } }, { "source": "CID:10343454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2782", "properties": { "id": "vercirnon-clemizole similarity", "source_label": "vercirnon", "target_label": "clemizole", "cosine_similarity": 0.1516695469617843 } }, { "source": "CID:637213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "rhapontin-N-methylquipazine similarity", "source_label": "rhapontin", "target_label": "N-methylquipazine", "cosine_similarity": 0.2998591661453247 } }, { "source": "CID:9836739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "PNU-74654-Ro-28-1675 similarity", "source_label": "PNU-74654", "target_label": "Ro-28-1675", "cosine_similarity": 0.4492428600788116 } }, { "source": "CID:6334600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607587", "properties": { "id": "hyoscyamine-KU-C104141 similarity", "source_label": "hyoscyamine", "target_label": "KU-C104141", "cosine_similarity": 0.3027389049530029 } }, { "source": "CID:44483939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1944378-SA-101686 similarity", "source_label": "SA-1944378", "target_label": "SA-101686", "cosine_similarity": 0.3072212636470794 } }, { "source": "CID:19003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "ciclacillin-MW-STK33-4C similarity", "source_label": "ciclacillin", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3147345185279846 } }, { "source": "CID:229021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442009", "properties": { "id": "methandriol-carnosol similarity", "source_label": "methandriol", "target_label": "carnosol", "cosine_similarity": 0.1822739988565445 } }, { "source": "CID:1392066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "MW-STK33-100-BG-STK33-55 similarity", "source_label": "MW-STK33-100", "target_label": "BG-STK33-55", "cosine_similarity": 0.5054478645324707 } }, { "source": "CID:5351542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:188914", "properties": { "id": "morphothebaine-BD-1047 similarity", "source_label": "morphothebaine", "target_label": "BD-1047", "cosine_similarity": 0.3189090192317962 } }, { "source": "CID:51755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "fenticonazole-taranabant similarity", "source_label": "fenticonazole", "target_label": "taranabant", "cosine_similarity": 0.4176028370857239 } }, { "source": "CID:25033539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "PF-04691502-NVP-BEZ235 similarity", "source_label": "PF-04691502", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7692645192146301 } }, { "source": "CID:3086618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3941250", "properties": { "id": "zamifenacin-nitrocaramiphen similarity", "source_label": "zamifenacin", "target_label": "nitrocaramiphen", "cosine_similarity": 0.1784258335828781 } }, { "source": "CID:5288320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:336423", "properties": { "id": "topiroxostat-TIC-10 similarity", "source_label": "topiroxostat", "target_label": "TIC-10", "cosine_similarity": 0.3748416304588318 } }, { "source": "CID:53377448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "ML-281-BG-STK33-55 similarity", "source_label": "ML-281", "target_label": "BG-STK33-55", "cosine_similarity": 0.3652692139148712 } }, { "source": "CID:9905190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710740", "properties": { "id": "CDC-endecaphyllin-x similarity", "source_label": "CDC", "target_label": "endecaphyllin-x", "cosine_similarity": 0.2327101528644561 } }, { "source": "CID:135412795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448013", "properties": { "id": "bentazepam-epothilone similarity", "source_label": "bentazepam", "target_label": "epothilone", "cosine_similarity": 0.479676216840744 } }, { "source": "CID:13782419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "PSB-069-LY-255283 similarity", "source_label": "PSB-069", "target_label": "LY-255283", "cosine_similarity": 0.3499686121940613 } }, { "source": "CID:151194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "vatalanib-wortmannin similarity", "source_label": "vatalanib", "target_label": "wortmannin", "cosine_similarity": 0.2048122435808181 } }, { "source": "CID:18381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "dicloxacillin-bupropion similarity", "source_label": "dicloxacillin", "target_label": "bupropion", "cosine_similarity": 0.4060424566268921 } }, { "source": "CID:128853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "delphinidin-castanospermine similarity", "source_label": "delphinidin", "target_label": "castanospermine", "cosine_similarity": 0.142123594880104 } }, { "source": "CID:5312145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "Ro-04-6790-GW-1929 similarity", "source_label": "Ro-04-6790", "target_label": "GW-1929", "cosine_similarity": 0.3231258690357208 } }, { "source": "CID:24856313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "FU-JMBII127B-SA-792709 similarity", "source_label": "FU-JMBII127B", "target_label": "SA-792709", "cosine_similarity": 0.5413379073143005 } }, { "source": "CID:54667764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "SA-1920756-SA-441350 similarity", "source_label": "SA-1920756", "target_label": "SA-441350", "cosine_similarity": 0.2130085676908493 } }, { "source": "CID:6913176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "NXY-059-tiapride similarity", "source_label": "NXY-059", "target_label": "tiapride", "cosine_similarity": 0.4203997254371643 } }, { "source": "CID:8982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "nafcillin-harmine similarity", "source_label": "nafcillin", "target_label": "harmine", "cosine_similarity": 0.3353861570358276 } }, { "source": "CID:151819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "BL-050-alda-1 similarity", "source_label": "BL-050", "target_label": "alda-1", "cosine_similarity": 0.291338175535202 } }, { "source": "CID:44483303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23986045", "properties": { "id": "gelsemine-karakoline similarity", "source_label": "gelsemine", "target_label": "karakoline", "cosine_similarity": 0.394916832447052 } }, { "source": "CID:16666708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "AZD-8330-selumetinib similarity", "source_label": "AZD-8330", "target_label": "selumetinib", "cosine_similarity": 0.8718810081481934 } }, { "source": "CID:54660194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666596", "properties": { "id": "SA-1458902-SA-1920453 similarity", "source_label": "SA-1458902", "target_label": "SA-1920453", "cosine_similarity": 0.2919100522994995 } }, { "source": "CID:6610303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10947895", "properties": { "id": "U-74389F-paroxetine similarity", "source_label": "U-74389F", "target_label": "paroxetine", "cosine_similarity": 0.2361352145671844 } }, { "source": "CID:51755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44112", "properties": { "id": "fenticonazole-bopindolol similarity", "source_label": "fenticonazole", "target_label": "bopindolol", "cosine_similarity": 0.4198378324508667 } }, { "source": "CID:17753743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "oprozomib-thiostrepton similarity", "source_label": "oprozomib", "target_label": "thiostrepton", "cosine_similarity": 0.516416609287262 } }, { "source": "CID:153994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "cleviprex-lomerizine similarity", "source_label": "cleviprex", "target_label": "lomerizine", "cosine_similarity": 0.2607974708080292 } }, { "source": "CID:6708582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60953", "properties": { "id": "deoxyandirobin-capecitabine similarity", "source_label": "deoxyandirobin", "target_label": "capecitabine", "cosine_similarity": 0.2033352553844452 } }, { "source": "CID:4410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "nadifloxacin-PK-11195 similarity", "source_label": "nadifloxacin", "target_label": "PK-11195", "cosine_similarity": 0.273708313703537 } }, { "source": "CID:73707359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "L-ascorbyl-6-palmitate-MW-MITF9 similarity", "source_label": "L-ascorbyl-6-palmitate", "target_label": "MW-MITF9", "cosine_similarity": 0.2580927014350891 } }, { "source": "CID:20345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853908", "properties": { "id": "kinetin-riboside-SA-3676 similarity", "source_label": "kinetin-riboside", "target_label": "SA-3676", "cosine_similarity": 0.4724524915218353 } }, { "source": "CID:33036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548076", "properties": { "id": "dexchlorpheniramine-STK-721917 similarity", "source_label": "dexchlorpheniramine", "target_label": "STK-721917", "cosine_similarity": 0.2381459772586822 } }, { "source": "CID:3012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "R-59022-pepstatin similarity", "source_label": "R-59022", "target_label": "pepstatin", "cosine_similarity": 0.3716908097267151 } }, { "source": "CID:399698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "n-bromoacetyltryptamine-K784-3131 similarity", "source_label": "n-bromoacetyltryptamine", "target_label": "K784-3131", "cosine_similarity": 0.5694890022277832 } }, { "source": "CID:5161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "sasapyrine-aspirin similarity", "source_label": "sasapyrine", "target_label": "aspirin", "cosine_similarity": 0.3309759199619293 } }, { "source": "CID:73707414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "nelfinavir-GDC-0199 similarity", "source_label": "nelfinavir", "target_label": "GDC-0199", "cosine_similarity": 0.6308053135871887 } }, { "source": "CID:63306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "NU-1025-amisulpride similarity", "source_label": "NU-1025", "target_label": "amisulpride", "cosine_similarity": 0.586604118347168 } }, { "source": "CID:4195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "midodrine-rolipram similarity", "source_label": "midodrine", "target_label": "rolipram", "cosine_similarity": 0.2862351238727569 } }, { "source": "CID:5280569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "daphnetin-zebularine similarity", "source_label": "daphnetin", "target_label": "zebularine", "cosine_similarity": 0.2571897208690643 } }, { "source": "CID:44828476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "KU-C104545N-morin similarity", "source_label": "KU-C104545N", "target_label": "morin", "cosine_similarity": 0.2034281343221664 } }, { "source": "CID:3016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "diazepam-zaprinast similarity", "source_label": "diazepam", "target_label": "zaprinast", "cosine_similarity": 0.3097608983516693 } }, { "source": "CID:173614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "GR-144053-lorazepam similarity", "source_label": "GR-144053", "target_label": "lorazepam", "cosine_similarity": 0.2888681292533874 } }, { "source": "CID:54668627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "SA-1922659-PI-828 similarity", "source_label": "SA-1922659", "target_label": "PI-828", "cosine_similarity": 0.3789079189300537 } }, { "source": "CID:2768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4099413", "properties": { "id": "dichlorodiamine-platinum-SB-366791 similarity", "source_label": "dichlorodiamine-platinum", "target_label": "SB-366791", "cosine_similarity": 0.2511554658412933 } }, { "source": "CID:7534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "eucatropine-DAC-004 similarity", "source_label": "eucatropine", "target_label": "DAC-004", "cosine_similarity": 0.2455761134624481 } }, { "source": "CID:3953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "lonidamine-JZL-184 similarity", "source_label": "lonidamine", "target_label": "JZL-184", "cosine_similarity": 0.370453268289566 } }, { "source": "CID:6435415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "cilastatin-tenoxicam similarity", "source_label": "cilastatin", "target_label": "tenoxicam", "cosine_similarity": 0.3056990802288055 } }, { "source": "CID:204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "allantoin-tofacitinib similarity", "source_label": "allantoin", "target_label": "tofacitinib", "cosine_similarity": 0.3355565965175628 } }, { "source": "CID:5816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "epinephrine-valsartan similarity", "source_label": "epinephrine", "target_label": "valsartan", "cosine_similarity": 0.2934480607509613 } }, { "source": "CID:20635522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609586", "properties": { "id": "KIN001-127-serdemetan similarity", "source_label": "KIN001-127", "target_label": "serdemetan", "cosine_similarity": 0.4198721051216125 } }, { "source": "CID:60773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707475", "properties": { "id": "valaciclovir-bacampicilline similarity", "source_label": "valaciclovir", "target_label": "bacampicilline", "cosine_similarity": 0.2330066412687301 } }, { "source": "CID:2674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "cercosporin-rhodomyrtoxin-b similarity", "source_label": "cercosporin", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.6464675664901733 } }, { "source": "CID:62034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "lylamine-RS-17053 similarity", "source_label": "lylamine", "target_label": "RS-17053", "cosine_similarity": 0.6838538646697998 } }, { "source": "CID:9926999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:681", "properties": { "id": "LY-456236-dopamine similarity", "source_label": "LY-456236", "target_label": "dopamine", "cosine_similarity": 0.2296197265386581 } }, { "source": "CID:44505124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-417716-SA-89763 similarity", "source_label": "SA-417716", "target_label": "SA-89763", "cosine_similarity": 0.3660882413387298 } }, { "source": "CID:3356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2520", "properties": { "id": "flecainide-verapamil similarity", "source_label": "flecainide", "target_label": "verapamil", "cosine_similarity": 0.4004379510879516 } }, { "source": "CID:4684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "parachlorophenol-CAM-9-021 similarity", "source_label": "parachlorophenol", "target_label": "CAM-9-021", "cosine_similarity": 0.2574833333492279 } }, { "source": "CID:50922681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565181", "properties": { "id": "NSI-189-IOWH-032 similarity", "source_label": "NSI-189", "target_label": "IOWH-032", "cosine_similarity": 0.2513239681720733 } }, { "source": "CID:441130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "meropenem-Gossypetin similarity", "source_label": "meropenem", "target_label": "Gossypetin", "cosine_similarity": 0.2848098576068878 } }, { "source": "CID:90843500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281707", "properties": { "id": "rolitetracycline-coumestrol similarity", "source_label": "rolitetracycline", "target_label": "coumestrol", "cosine_similarity": 0.2955812215805053 } }, { "source": "CID:9363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311042", "properties": { "id": "etamivan-CGP-55845 similarity", "source_label": "etamivan", "target_label": "CGP-55845", "cosine_similarity": 0.3038116991519928 } }, { "source": "CID:3785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135883127", "properties": { "id": "itdac-1-BG-1017 similarity", "source_label": "itdac-1", "target_label": "BG-1017", "cosine_similarity": 0.3176831901073456 } }, { "source": "CID:92258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26248", "properties": { "id": "phenylacetylglutamine-diacerein similarity", "source_label": "phenylacetylglutamine", "target_label": "diacerein", "cosine_similarity": 0.3729146718978882 } }, { "source": "CID:44494528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "SA-424763-enzalutamide similarity", "source_label": "SA-424763", "target_label": "enzalutamide", "cosine_similarity": 0.2588048875331878 } }, { "source": "CID:4043357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "hemado-amikacin similarity", "source_label": "hemado", "target_label": "amikacin", "cosine_similarity": 0.4674209654331207 } }, { "source": "CID:56676725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "BIX-01338-ST-059620 similarity", "source_label": "BIX-01338", "target_label": "ST-059620", "cosine_similarity": 0.2571166753768921 } }, { "source": "CID:132252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "CGP-52432-zebularine similarity", "source_label": "CGP-52432", "target_label": "zebularine", "cosine_similarity": 0.3116110563278198 } }, { "source": "CID:5742832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "aztreonam-BG-STK33-55 similarity", "source_label": "aztreonam", "target_label": "BG-STK33-55", "cosine_similarity": 0.2867266833782196 } }, { "source": "CID:44504533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658535", "properties": { "id": "SA-103150-SA-1459975 similarity", "source_label": "SA-103150", "target_label": "SA-1459975", "cosine_similarity": 0.4101550579071045 } }, { "source": "CID:1794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439620", "properties": { "id": "hexamethyleneamiloride-oxalomalic-acid similarity", "source_label": "hexamethyleneamiloride", "target_label": "oxalomalic-acid", "cosine_similarity": 0.223702386021614 } }, { "source": "CID:4477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "niclosamide-FCCP similarity", "source_label": "niclosamide", "target_label": "FCCP", "cosine_similarity": 0.7831971049308777 } }, { "source": "CID:24747215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854195", "properties": { "id": "JAS07-007-KUC104235N similarity", "source_label": "JAS07-007", "target_label": "KUC104235N", "cosine_similarity": 0.3387121856212616 } }, { "source": "CID:46215462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329102", "properties": { "id": "R-428-sunitinib similarity", "source_label": "R-428", "target_label": "sunitinib", "cosine_similarity": 0.5001435875892639 } }, { "source": "CID:168613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71354", "properties": { "id": "timolol-bindarit similarity", "source_label": "timolol", "target_label": "bindarit", "cosine_similarity": 0.3287065327167511 } }, { "source": "CID:2406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "bithionol-heliomycin similarity", "source_label": "bithionol", "target_label": "heliomycin", "cosine_similarity": 0.708893895149231 } }, { "source": "CID:71714682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265214", "properties": { "id": "K-145-QL-XI-92 similarity", "source_label": "K-145", "target_label": "QL-XI-92", "cosine_similarity": 0.2495574951171875 } }, { "source": "CID:260972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "EMF-sumo1-8-GW-9508 similarity", "source_label": "EMF-sumo1-8", "target_label": "GW-9508", "cosine_similarity": 0.3599187731742859 } }, { "source": "CID:2244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "aspirin-saxagliptin similarity", "source_label": "aspirin", "target_label": "saxagliptin", "cosine_similarity": 0.4359017014503479 } }, { "source": "CID:4309557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1534", "properties": { "id": "tetramethyl-haematoxylone-aminomethyltransferase similarity", "source_label": "tetramethyl-haematoxylone", "target_label": "aminomethyltransferase", "cosine_similarity": 0.2728631198406219 } }, { "source": "CID:53276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "flupirtine-bitopertin similarity", "source_label": "flupirtine", "target_label": "bitopertin", "cosine_similarity": 0.2768874168395996 } }, { "source": "CID:4934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2182", "properties": { "id": "propantheline-anagrelide similarity", "source_label": "propantheline", "target_label": "anagrelide", "cosine_similarity": 0.2302751839160919 } }, { "source": "CID:71815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "secnidazole-dorzolamide similarity", "source_label": "secnidazole", "target_label": "dorzolamide", "cosine_similarity": 0.3847563564777374 } }, { "source": "CID:4679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "pantoprazole-FPL-62064 similarity", "source_label": "pantoprazole", "target_label": "FPL-62064", "cosine_similarity": 0.3746805489063263 } }, { "source": "CID:2081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "alaproclate-cholic-acid similarity", "source_label": "alaproclate", "target_label": "cholic-acid", "cosine_similarity": 0.5203794836997986 } }, { "source": "CID:363863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "maackiain-dubinidine similarity", "source_label": "maackiain", "target_label": "dubinidine", "cosine_similarity": 0.3239921629428863 } }, { "source": "CID:54657695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "SA-1973497-niguldipine similarity", "source_label": "SA-1973497", "target_label": "niguldipine", "cosine_similarity": 0.4303848445415497 } }, { "source": "CID:21704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "vidarabine-actarit similarity", "source_label": "vidarabine", "target_label": "actarit", "cosine_similarity": 0.3149996101856231 } }, { "source": "CID:6708684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "scopoline-dictamnine similarity", "source_label": "scopoline", "target_label": "dictamnine", "cosine_similarity": 0.2878085970878601 } }, { "source": "CID:11095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2390", "properties": { "id": "eriodictyol-AG-490 similarity", "source_label": "eriodictyol", "target_label": "AG-490", "cosine_similarity": 0.3348706662654876 } }, { "source": "CID:44287635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280863", "properties": { "id": "6-nitronorepinephrine-kaempferol similarity", "source_label": "6-nitronorepinephrine", "target_label": "kaempferol", "cosine_similarity": 0.206369549036026 } }, { "source": "CID:24856224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328748", "properties": { "id": "FU-JMBII113B-AG-370 similarity", "source_label": "FU-JMBII113B", "target_label": "AG-370", "cosine_similarity": 0.2638939321041107 } }, { "source": "CID:44968231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "ML-167-PLX-4720 similarity", "source_label": "ML-167", "target_label": "PLX-4720", "cosine_similarity": 0.2612560093402862 } }, { "source": "CID:16741245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "AZD-7545-BMS-641988 similarity", "source_label": "AZD-7545", "target_label": "BMS-641988", "cosine_similarity": 0.4013513028621673 } }, { "source": "CID:5359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4701", "properties": { "id": "suprofen-PD-123319 similarity", "source_label": "suprofen", "target_label": "PD-123319", "cosine_similarity": 0.3261478841304779 } }, { "source": "CID:100018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "ginsenoside-dictamnine similarity", "source_label": "ginsenoside", "target_label": "dictamnine", "cosine_similarity": 0.2915207743644714 } }, { "source": "CID:444795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24868309", "properties": { "id": "tretinoin-CD-1530 similarity", "source_label": "tretinoin", "target_label": "CD-1530", "cosine_similarity": 0.4212537705898285 } }, { "source": "CID:2727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "chlorpropamide-aclidinium similarity", "source_label": "chlorpropamide", "target_label": "aclidinium", "cosine_similarity": 0.468027114868164 } }, { "source": "CID:11687907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "MSX-122-dipyridamole similarity", "source_label": "MSX-122", "target_label": "dipyridamole", "cosine_similarity": 0.192380353808403 } }, { "source": "CID:46902718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6338099", "properties": { "id": "KUC105208-securinine similarity", "source_label": "KUC105208", "target_label": "securinine", "cosine_similarity": 0.4016100764274597 } }, { "source": "CID:60184097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192484", "properties": { "id": "SA-1938421-SA-1925621 similarity", "source_label": "SA-1938421", "target_label": "SA-1925621", "cosine_similarity": 0.5189505815505981 } }, { "source": "CID:7456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "methylparaben-ibrutinib similarity", "source_label": "methylparaben", "target_label": "ibrutinib", "cosine_similarity": 0.2214630246162414 } }, { "source": "CID:44143698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448991", "properties": { "id": "KU-C103420N-purvalanol-b similarity", "source_label": "KU-C103420N", "target_label": "purvalanol-b", "cosine_similarity": 0.2663568556308746 } }, { "source": "CID:73602827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "THZ-1-dinaciclib similarity", "source_label": "THZ-1", "target_label": "dinaciclib", "cosine_similarity": 0.4122141599655151 } }, { "source": "CID:5702265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "colforsin-GSK-429286A similarity", "source_label": "colforsin", "target_label": "GSK-429286A", "cosine_similarity": 0.2824561595916748 } }, { "source": "CID:6918852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "R-547-alvocidib similarity", "source_label": "R-547", "target_label": "alvocidib", "cosine_similarity": 0.5519392490386963 } }, { "source": "CID:54477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "remoxipride-cytosporone-b similarity", "source_label": "remoxipride", "target_label": "cytosporone-b", "cosine_similarity": 0.3116134107112884 } }, { "source": "CID:3033818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "dolasetron-AICA-ribonucleotide similarity", "source_label": "dolasetron", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3064463436603546 } }, { "source": "CID:6128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "androstenedione-TEPP-46 similarity", "source_label": "androstenedione", "target_label": "TEPP-46", "cosine_similarity": 0.2470046877861023 } }, { "source": "CID:10295295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "palovarotene-Y-26763 similarity", "source_label": "palovarotene", "target_label": "Y-26763", "cosine_similarity": 0.4443841576576233 } }, { "source": "CID:5311493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "U-46619-drofenine similarity", "source_label": "U-46619", "target_label": "drofenine", "cosine_similarity": 0.2745115458965301 } }, { "source": "CID:4911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "probenecid-JNJ-38877605 similarity", "source_label": "probenecid", "target_label": "JNJ-38877605", "cosine_similarity": 0.3681371510028839 } }, { "source": "CID:46199207", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085416", "properties": { "id": "stemregenin-1-ivermectin similarity", "source_label": "stemregenin-1", "target_label": "ivermectin", "cosine_similarity": 0.2921422719955444 } }, { "source": "CID:1683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "bemesetron-dubinidine similarity", "source_label": "bemesetron", "target_label": "dubinidine", "cosine_similarity": 0.2832568883895874 } }, { "source": "CID:449381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "oseltamivir-carboxylate-bicalutamide similarity", "source_label": "oseltamivir-carboxylate", "target_label": "bicalutamide", "cosine_similarity": 0.4169521033763885 } }, { "source": "CID:5429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "theobromine-dipyridamole similarity", "source_label": "theobromine", "target_label": "dipyridamole", "cosine_similarity": 0.520095705986023 } }, { "source": "CID:6708762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23846563", "properties": { "id": "periplocymarin-helveticoside similarity", "source_label": "periplocymarin", "target_label": "helveticoside", "cosine_similarity": 0.8068142533302307 } }, { "source": "CID:25031915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "lucitanib-2-iminobiotin similarity", "source_label": "lucitanib", "target_label": "2-iminobiotin", "cosine_similarity": 0.4546588659286499 } }, { "source": "CID:5354033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "U-0126-trametinib similarity", "source_label": "U-0126", "target_label": "trametinib", "cosine_similarity": 0.5861138105392456 } }, { "source": "CID:667484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "etomidate-CV-1808 similarity", "source_label": "etomidate", "target_label": "CV-1808", "cosine_similarity": 0.472213864326477 } }, { "source": "CID:24856041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "AMG-900-tivantinib similarity", "source_label": "AMG-900", "target_label": "tivantinib", "cosine_similarity": 0.2694307565689087 } }, { "source": "CID:9935681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "firategrast-GSK-429286A similarity", "source_label": "firategrast", "target_label": "GSK-429286A", "cosine_similarity": 0.3088337182998657 } }, { "source": "CID:119828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "parecoxib-sibutramine similarity", "source_label": "parecoxib", "target_label": "sibutramine", "cosine_similarity": 0.4344523251056671 } }, { "source": "CID:1379247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "DAC-004-meclofenamic-acid similarity", "source_label": "DAC-004", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3972433805465698 } }, { "source": "CID:14182642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6437068", "properties": { "id": "propanoic-acid-enevalproate similarity", "source_label": "propanoic-acid", "target_label": "enevalproate", "cosine_similarity": 0.3140396773815155 } }, { "source": "CID:5701990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4624", "properties": { "id": "testosterone-propionate-oxidopamine similarity", "source_label": "testosterone-propionate", "target_label": "oxidopamine", "cosine_similarity": 0.1742154061794281 } }, { "source": "CID:25254071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25033539", "properties": { "id": "GDC-0980-PF-04691502 similarity", "source_label": "GDC-0980", "target_label": "PF-04691502", "cosine_similarity": 0.7755497694015503 } }, { "source": "CID:11771279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443872", "properties": { "id": "MRS-3777-eplerenone similarity", "source_label": "MRS-3777", "target_label": "eplerenone", "cosine_similarity": 0.1804983913898468 } }, { "source": "CID:4725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53465279", "properties": { "id": "penciclovir-lesinurad similarity", "source_label": "penciclovir", "target_label": "lesinurad", "cosine_similarity": 0.3599306344985962 } }, { "source": "CID:23351218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "radicicol-tanespimycin similarity", "source_label": "radicicol", "target_label": "tanespimycin", "cosine_similarity": 0.7470100522041321 } }, { "source": "CID:11488320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "AZD-8931-cobimetinib similarity", "source_label": "AZD-8931", "target_label": "cobimetinib", "cosine_similarity": 0.345198392868042 } }, { "source": "CID:130313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3494", "properties": { "id": "sulbactam-glycopyrrolate similarity", "source_label": "sulbactam", "target_label": "glycopyrrolate", "cosine_similarity": 0.3015225827693939 } }, { "source": "CID:657255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "suloctidil-NNC-55-0396 similarity", "source_label": "suloctidil", "target_label": "NNC-55-0396", "cosine_similarity": 0.6627484560012817 } }, { "source": "CID:73157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "lobaric-acid-SA-1462678 similarity", "source_label": "lobaric-acid", "target_label": "SA-1462678", "cosine_similarity": 0.2224791944026947 } }, { "source": "CID:44623837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "KU-C104223-evoxine similarity", "source_label": "KU-C104223", "target_label": "evoxine", "cosine_similarity": 0.2267805337905883 } }, { "source": "CID:2819095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "KM-00799-MD-049 similarity", "source_label": "KM-00799", "target_label": "MD-049", "cosine_similarity": 0.2971617877483368 } }, { "source": "CID:3248000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "3'-fluorobenzylspiperone-KO-143 similarity", "source_label": "3'-fluorobenzylspiperone", "target_label": "KO-143", "cosine_similarity": 0.5424392223358154 } }, { "source": "CID:2750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "ciglitazone-diethylcarbamazine similarity", "source_label": "ciglitazone", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3633362054824829 } }, { "source": "CID:9989505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "immethridine-chloroquine similarity", "source_label": "immethridine", "target_label": "chloroquine", "cosine_similarity": 0.3649326860904693 } }, { "source": "CID:44494463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-242443-SA-1919248 similarity", "source_label": "SA-242443", "target_label": "SA-1919248", "cosine_similarity": 0.4279991090297699 } }, { "source": "CID:262093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "NSC-95397-pifithrin-mu similarity", "source_label": "NSC-95397", "target_label": "pifithrin-mu", "cosine_similarity": 0.7159969806671143 } }, { "source": "CID:4217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "ML-9-amiodarone similarity", "source_label": "ML-9", "target_label": "amiodarone", "cosine_similarity": 0.2963193655014038 } }, { "source": "CID:3330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "FCCP-tyrphostin-A9 similarity", "source_label": "FCCP", "target_label": "tyrphostin-A9", "cosine_similarity": 0.6895794868469238 } }, { "source": "CID:65028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25051", "properties": { "id": "oseltamivir-phosphate-cyclocytidine similarity", "source_label": "oseltamivir-phosphate", "target_label": "cyclocytidine", "cosine_similarity": 0.1848708242177963 } }, { "source": "CID:60190226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484592", "properties": { "id": "SA-1925996-SA-424534 similarity", "source_label": "SA-1925996", "target_label": "SA-424534", "cosine_similarity": 0.240539938211441 } }, { "source": "CID:135999136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "AT-CSC-18-artesunate similarity", "source_label": "AT-CSC-18", "target_label": "artesunate", "cosine_similarity": 0.3736861050128937 } }, { "source": "CID:6603820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21785456", "properties": { "id": "dihydrexidine-KU-C103869 similarity", "source_label": "dihydrexidine", "target_label": "KU-C103869", "cosine_similarity": 0.3051792681217193 } }, { "source": "CID:44828476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44907120", "properties": { "id": "KU-C104545N-VU-0413243-1 similarity", "source_label": "KU-C104545N", "target_label": "VU-0413243-1", "cosine_similarity": 0.2011804729700088 } }, { "source": "CID:57345410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "EPZ-5676-gatifloxacin similarity", "source_label": "EPZ-5676", "target_label": "gatifloxacin", "cosine_similarity": 0.3072949349880218 } }, { "source": "CID:130313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54671008", "properties": { "id": "sulbactam-raltegravir similarity", "source_label": "sulbactam", "target_label": "raltegravir", "cosine_similarity": 0.2852032482624054 } }, { "source": "CID:60961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20555075", "properties": { "id": "adenosine-CGP-12177 similarity", "source_label": "adenosine", "target_label": "CGP-12177", "cosine_similarity": 0.4796960055828094 } }, { "source": "CID:44483247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "prednicarbate-hydrocortisone-acetate similarity", "source_label": "prednicarbate", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3694472312927246 } }, { "source": "CID:3760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "isoconazole-bicalutamide similarity", "source_label": "isoconazole", "target_label": "bicalutamide", "cosine_similarity": 0.3418022692203522 } }, { "source": "CID:4746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "perhexiline-thioridazine similarity", "source_label": "perhexiline", "target_label": "thioridazine", "cosine_similarity": 0.5570729374885559 } }, { "source": "CID:101498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91522200", "properties": { "id": "5-FP-benidipine similarity", "source_label": "5-FP", "target_label": "benidipine", "cosine_similarity": 0.2707862555980682 } }, { "source": "CID:4976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "protriptyline-rimcazole similarity", "source_label": "protriptyline", "target_label": "rimcazole", "cosine_similarity": 0.4619016647338867 } }, { "source": "CID:4449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "nefazodone-nateglinide similarity", "source_label": "nefazodone", "target_label": "nateglinide", "cosine_similarity": 0.4809392392635345 } }, { "source": "CID:9810929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "dolastatin-10-parbendazole similarity", "source_label": "dolastatin-10", "target_label": "parbendazole", "cosine_similarity": 0.8662678599357605 } }, { "source": "CID:17756791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15443", "properties": { "id": "Ro-08-2750-azaperone similarity", "source_label": "Ro-08-2750", "target_label": "azaperone", "cosine_similarity": 0.2628054618835449 } }, { "source": "CID:9918908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "PD-166793-YK-4279 similarity", "source_label": "PD-166793", "target_label": "YK-4279", "cosine_similarity": 0.288908988237381 } }, { "source": "CID:39981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "sparfosic-acid-alda-1 similarity", "source_label": "sparfosic-acid", "target_label": "alda-1", "cosine_similarity": 0.515665590763092 } }, { "source": "CID:153941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "entecavir-2-iminobiotin similarity", "source_label": "entecavir", "target_label": "2-iminobiotin", "cosine_similarity": 0.4849067628383636 } }, { "source": "CID:969472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "eszopiclone-SD-6-035-A8 similarity", "source_label": "eszopiclone", "target_label": "SD-6-035-A8", "cosine_similarity": 0.1818592250347137 } }, { "source": "CID:13711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "torcitabine-GDC-0199 similarity", "source_label": "torcitabine", "target_label": "GDC-0199", "cosine_similarity": 0.3398595750331878 } }, { "source": "CID:5574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "alimemazine-SA-1921456 similarity", "source_label": "alimemazine", "target_label": "SA-1921456", "cosine_similarity": 0.4675143957138061 } }, { "source": "CID:44251605", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "LY-2811376-marbofloxacin similarity", "source_label": "LY-2811376", "target_label": "marbofloxacin", "cosine_similarity": 0.3591718971729278 } }, { "source": "CID:3690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "ifosfamide-gliclazide similarity", "source_label": "ifosfamide", "target_label": "gliclazide", "cosine_similarity": 0.7859188318252563 } }, { "source": "CID:9926832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33572", "properties": { "id": "mavoglurant-ritodrine similarity", "source_label": "mavoglurant", "target_label": "ritodrine", "cosine_similarity": 0.1437362283468246 } }, { "source": "CID:44505769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-418267-SA-417716 similarity", "source_label": "SA-418267", "target_label": "SA-417716", "cosine_similarity": 0.3138214647769928 } }, { "source": "CID:133017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "rupatadine-inositol similarity", "source_label": "rupatadine", "target_label": "inositol", "cosine_similarity": 0.7274182438850403 } }, { "source": "CID:8550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216454", "properties": { "id": "deserpidine-L-778123 similarity", "source_label": "deserpidine", "target_label": "L-778123", "cosine_similarity": 0.2299954444169998 } }, { "source": "CID:2858523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "CHEMBL-374350-tamoxifen similarity", "source_label": "CHEMBL-374350", "target_label": "tamoxifen", "cosine_similarity": 0.6328713893890381 } }, { "source": "CID:11625818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "idelalisib-tofacitinib similarity", "source_label": "idelalisib", "target_label": "tofacitinib", "cosine_similarity": 0.5746434330940247 } }, { "source": "CID:4165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "meticrane-hydroxyamphetamine similarity", "source_label": "meticrane", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.2916527688503265 } }, { "source": "CID:26879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "levamisole-sodium-gualenate similarity", "source_label": "levamisole", "target_label": "sodium-gualenate", "cosine_similarity": 0.4471457302570343 } }, { "source": "CID:6473866", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "tacrolimus-CAM-9-027-3 similarity", "source_label": "tacrolimus", "target_label": "CAM-9-027-3", "cosine_similarity": 0.3840869069099426 } }, { "source": "CID:10113978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "pazopanib-sorafenib similarity", "source_label": "pazopanib", "target_label": "sorafenib", "cosine_similarity": 0.4964385628700256 } }, { "source": "CID:2882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:336423", "properties": { "id": "cromoglicic-acid-TIC-10 similarity", "source_label": "cromoglicic-acid", "target_label": "TIC-10", "cosine_similarity": 0.4242009222507477 } }, { "source": "CID:9883029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "orteronel-amisulpride similarity", "source_label": "orteronel", "target_label": "amisulpride", "cosine_similarity": 0.4366549551486969 } }, { "source": "CID:15443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "azaperone-phenothiazine similarity", "source_label": "azaperone", "target_label": "phenothiazine", "cosine_similarity": 0.2423597574234008 } }, { "source": "CID:4221587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "ST-4034902-AR-C133057XX similarity", "source_label": "ST-4034902", "target_label": "AR-C133057XX", "cosine_similarity": 0.2469183802604675 } }, { "source": "CID:193949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "SDZ-21009-trifluoperazine similarity", "source_label": "SDZ-21009", "target_label": "trifluoperazine", "cosine_similarity": 0.4831804633140564 } }, { "source": "CID:4631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "oxprenolol-cortisone-acetate similarity", "source_label": "oxprenolol", "target_label": "cortisone-acetate", "cosine_similarity": 0.290179580450058 } }, { "source": "CID:57946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "tenidap-apocynin similarity", "source_label": "tenidap", "target_label": "apocynin", "cosine_similarity": 0.4086524546146393 } }, { "source": "CID:4927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "promethazine-Gly-Gly-PALO similarity", "source_label": "promethazine", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3407038748264313 } }, { "source": "CID:3385203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "GTP-14564-DAC-003 similarity", "source_label": "GTP-14564", "target_label": "DAC-003", "cosine_similarity": 0.2014816701412201 } }, { "source": "CID:2929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "indibulin-paclitaxel similarity", "source_label": "indibulin", "target_label": "paclitaxel", "cosine_similarity": 0.7891940474510193 } }, { "source": "CID:24889392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644241", "properties": { "id": "quizartinib-nilotinib similarity", "source_label": "quizartinib", "target_label": "nilotinib", "cosine_similarity": 0.4071246385574341 } }, { "source": "CID:73707370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "TUL-XVIII076-PSH-003 similarity", "source_label": "TUL-XVIII076", "target_label": "PSH-003", "cosine_similarity": 0.3052728474140167 } }, { "source": "CID:222515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "brazilin-K784-3187 similarity", "source_label": "brazilin", "target_label": "K784-3187", "cosine_similarity": 0.4888654053211212 } }, { "source": "CID:148184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "ampalex-conivaptan similarity", "source_label": "ampalex", "target_label": "conivaptan", "cosine_similarity": 0.4594607949256897 } }, { "source": "CID:23637804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "ceforanide-L-689560 similarity", "source_label": "ceforanide", "target_label": "L-689560", "cosine_similarity": 0.2639327943325043 } }, { "source": "CID:5225092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "westcort-beclomethasone-dipropionate similarity", "source_label": "westcort", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.2361776828765869 } }, { "source": "CID:5065494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45281797", "properties": { "id": "K784-3391-VU-0365117-1 similarity", "source_label": "K784-3391", "target_label": "VU-0365117-1", "cosine_similarity": 0.2042893171310424 } }, { "source": "CID:4828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "pindolol-aclidinium similarity", "source_label": "pindolol", "target_label": "aclidinium", "cosine_similarity": 0.4603219628334045 } }, { "source": "CID:4412255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "CP-55940-VU-0418933-1 similarity", "source_label": "CP-55940", "target_label": "VU-0418933-1", "cosine_similarity": 0.2613551914691925 } }, { "source": "CID:57697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123683", "properties": { "id": "pemirolast-IB-MECA similarity", "source_label": "pemirolast", "target_label": "IB-MECA", "cosine_similarity": 0.3321694433689117 } }, { "source": "CID:9889200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "balaglitazone-sarcosine similarity", "source_label": "balaglitazone", "target_label": "sarcosine", "cosine_similarity": 0.3765047192573547 } }, { "source": "CID:33887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5564", "properties": { "id": "almitrine-triclosan similarity", "source_label": "almitrine", "target_label": "triclosan", "cosine_similarity": 0.4520643949508667 } }, { "source": "CID:46239015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565545", "properties": { "id": "SCH-900776-PF-477736 similarity", "source_label": "SCH-900776", "target_label": "PF-477736", "cosine_similarity": 0.2522597312927246 } }, { "source": "CID:4135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2335", "properties": { "id": "methyl-benzethonium-benzethonium similarity", "source_label": "methyl-benzethonium", "target_label": "benzethonium", "cosine_similarity": 0.7332014441490173 } }, { "source": "CID:54658965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669029", "properties": { "id": "SA-1456352-SA-1921574 similarity", "source_label": "SA-1456352", "target_label": "SA-1921574", "cosine_similarity": 0.2543332576751709 } }, { "source": "CID:9444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "azacitidine-oncrasin-1 similarity", "source_label": "azacitidine", "target_label": "oncrasin-1", "cosine_similarity": 0.5711685419082642 } }, { "source": "CID:2320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "benfotiamine-gossypin similarity", "source_label": "benfotiamine", "target_label": "gossypin", "cosine_similarity": 0.2323164194822311 } }, { "source": "CID:3475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "gliclazide-dexloxiglumide similarity", "source_label": "gliclazide", "target_label": "dexloxiglumide", "cosine_similarity": 0.827323317527771 } }, { "source": "CID:4167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "metixene-flecainide similarity", "source_label": "metixene", "target_label": "flecainide", "cosine_similarity": 0.3960300981998443 } }, { "source": "CID:5358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60769", "properties": { "id": "sumatriptan-MDL-73005EF similarity", "source_label": "sumatriptan", "target_label": "MDL-73005EF", "cosine_similarity": 0.4933405816555023 } }, { "source": "CID:1456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "ODQ-SA-1919345 similarity", "source_label": "ODQ", "target_label": "SA-1919345", "cosine_similarity": 0.2436076253652572 } }, { "source": "CID:73707463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707477", "properties": { "id": "lymecycline-pivmecillinam similarity", "source_label": "lymecycline", "target_label": "pivmecillinam", "cosine_similarity": 0.2171030938625335 } }, { "source": "CID:3081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "dimethadione-erythrosine similarity", "source_label": "dimethadione", "target_label": "erythrosine", "cosine_similarity": 0.2639400959014892 } }, { "source": "CID:135688221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44551660", "properties": { "id": "AT-CSC-07-CP-466722 similarity", "source_label": "AT-CSC-07", "target_label": "CP-466722", "cosine_similarity": 0.2250703871250152 } }, { "source": "CID:688020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "crotamiton-Y-27632 similarity", "source_label": "crotamiton", "target_label": "Y-27632", "cosine_similarity": 0.2482021898031234 } }, { "source": "CID:224246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "isoflupredone-acetate-dexamethasone similarity", "source_label": "isoflupredone-acetate", "target_label": "dexamethasone", "cosine_similarity": 0.434565395116806 } }, { "source": "CID:11222830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11848225", "properties": { "id": "WP-1130-cebranopadol similarity", "source_label": "WP-1130", "target_label": "cebranopadol", "cosine_similarity": 0.2418495714664459 } }, { "source": "CID:21700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "beclomethasone-dipropionate-rimexolone similarity", "source_label": "beclomethasone-dipropionate", "target_label": "rimexolone", "cosine_similarity": 0.6669957041740417 } }, { "source": "CID:11234052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "brivanib-doramapimod similarity", "source_label": "brivanib", "target_label": "doramapimod", "cosine_similarity": 0.4125670492649078 } }, { "source": "CID:4680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "papaverine-dapivirine similarity", "source_label": "papaverine", "target_label": "dapivirine", "cosine_similarity": 0.3574663400650024 } }, { "source": "CID:1697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "CGP-52411-methylene-blue similarity", "source_label": "CGP-52411", "target_label": "methylene-blue", "cosine_similarity": 0.2710258364677429 } }, { "source": "CID:71310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "atipamezole-ketorolac similarity", "source_label": "atipamezole", "target_label": "ketorolac", "cosine_similarity": 0.4172352254390716 } }, { "source": "CID:66265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "dexfenfluramine-lorcaserin similarity", "source_label": "dexfenfluramine", "target_label": "lorcaserin", "cosine_similarity": 0.4544805288314819 } }, { "source": "CID:71748056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "QL-XII-47-narciclasine similarity", "source_label": "QL-XII-47", "target_label": "narciclasine", "cosine_similarity": 0.657616913318634 } }, { "source": "CID:9826528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "PD-0325901-PD-184352 similarity", "source_label": "PD-0325901", "target_label": "PD-184352", "cosine_similarity": 0.8428844213485718 } }, { "source": "CID:53245442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "TUL-XX025TFA-MW-STK33-4C similarity", "source_label": "TUL-XX025TFA", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3890044689178467 } }, { "source": "CID:44487334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492693", "properties": { "id": "SA-89705-SA-84869 similarity", "source_label": "SA-89705", "target_label": "SA-84869", "cosine_similarity": 0.2633877694606781 } }, { "source": "CID:3765615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "L-152804-MW-MITF28 similarity", "source_label": "L-152804", "target_label": "MW-MITF28", "cosine_similarity": 0.3056900203227997 } }, { "source": "CID:54666593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60189878", "properties": { "id": "SA-1920687-SA-1939936 similarity", "source_label": "SA-1920687", "target_label": "SA-1939936", "cosine_similarity": 0.2213970869779586 } }, { "source": "CID:44505045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494463", "properties": { "id": "SA-419050-SA-242443 similarity", "source_label": "SA-419050", "target_label": "SA-242443", "cosine_similarity": 0.3148558735847473 } }, { "source": "CID:3365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033769", "properties": { "id": "fluconazole-raclopride similarity", "source_label": "fluconazole", "target_label": "raclopride", "cosine_similarity": 0.3250501155853271 } }, { "source": "CID:3373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "flumazenil-lenalidomide similarity", "source_label": "flumazenil", "target_label": "lenalidomide", "cosine_similarity": 0.2559384405612945 } }, { "source": "CID:15592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296583", "properties": { "id": "1-methylisoquinoline-pirarubicin similarity", "source_label": "1-methylisoquinoline", "target_label": "pirarubicin", "cosine_similarity": 0.1931993067264557 } }, { "source": "CID:16760692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "U-0124-UB-165 similarity", "source_label": "U-0124", "target_label": "UB-165", "cosine_similarity": 0.4159100949764251 } }, { "source": "CID:44502203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616431", "properties": { "id": "SA-101686-SA-441145 similarity", "source_label": "SA-101686", "target_label": "SA-441145", "cosine_similarity": 0.432437002658844 } }, { "source": "CID:44483932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-423862-SA-1458610 similarity", "source_label": "SA-423862", "target_label": "SA-1458610", "cosine_similarity": 0.3206899464130401 } }, { "source": "CID:2815801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "HTS-11203SC-quercetin similarity", "source_label": "HTS-11203SC", "target_label": "quercetin", "cosine_similarity": 0.3131978809833526 } }, { "source": "CID:47318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5487427", "properties": { "id": "oltipraz-tiotropium similarity", "source_label": "oltipraz", "target_label": "tiotropium", "cosine_similarity": 0.2290676087141037 } }, { "source": "CID:11201705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "ivachtin-thiazolopyrimidine similarity", "source_label": "ivachtin", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3349526822566986 } }, { "source": "CID:667601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "tyrphostin-47-L-ergothioneine similarity", "source_label": "tyrphostin-47", "target_label": "L-ergothioneine", "cosine_similarity": 0.2856744825839996 } }, { "source": "CID:6604918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "YM-976-aliskiren similarity", "source_label": "YM-976", "target_label": "aliskiren", "cosine_similarity": 0.4166598916053772 } }, { "source": "CID:58423153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "AZD-1208-everolimus similarity", "source_label": "AZD-1208", "target_label": "everolimus", "cosine_similarity": 0.374659389257431 } }, { "source": "CID:45115620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46233311", "properties": { "id": "VU-0413807-2-GSK-0660 similarity", "source_label": "VU-0413807-2", "target_label": "GSK-0660", "cosine_similarity": 0.2714266777038574 } }, { "source": "CID:51003717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "CVF-SUMO-13-EMF-sumo1-11 similarity", "source_label": "CVF-SUMO-13", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5559609532356262 } }, { "source": "CID:214347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "dapivirine-bicalutamide similarity", "source_label": "dapivirine", "target_label": "bicalutamide", "cosine_similarity": 0.5382869839668274 } }, { "source": "CID:108046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "BMY-14802-milnacipran similarity", "source_label": "BMY-14802", "target_label": "milnacipran", "cosine_similarity": 0.4591709077358246 } }, { "source": "CID:23635314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009963", "properties": { "id": "KX-2391-cabazitaxel similarity", "source_label": "KX-2391", "target_label": "cabazitaxel", "cosine_similarity": 0.8437714576721191 } }, { "source": "CID:73707395", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "rhizocarpic-acid-enzalutamide similarity", "source_label": "rhizocarpic-acid", "target_label": "enzalutamide", "cosine_similarity": 0.2335179150104522 } }, { "source": "CID:16095342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "GSK-269962-dasatinib similarity", "source_label": "GSK-269962", "target_label": "dasatinib", "cosine_similarity": 0.3435220718383789 } }, { "source": "CID:1140587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "BAS-02859604-tofacitinib similarity", "source_label": "BAS-02859604", "target_label": "tofacitinib", "cosine_similarity": 0.3275796473026275 } }, { "source": "CID:5281881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "flupentixol-STA-5326 similarity", "source_label": "flupentixol", "target_label": "STA-5326", "cosine_similarity": 0.5101654529571533 } }, { "source": "CID:2480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13121776", "properties": { "id": "butacaine-nafcilline similarity", "source_label": "butacaine", "target_label": "nafcilline", "cosine_similarity": 0.3376520872116089 } }, { "source": "CID:9904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3749", "properties": { "id": "nandrolone-irbesartan similarity", "source_label": "nandrolone", "target_label": "irbesartan", "cosine_similarity": 0.2494780719280243 } }, { "source": "CID:449196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "androstanol-TCPOBOP similarity", "source_label": "androstanol", "target_label": "TCPOBOP", "cosine_similarity": 0.2692773640155792 } }, { "source": "CID:451668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6253", "properties": { "id": "decitabine-cytarabine similarity", "source_label": "decitabine", "target_label": "cytarabine", "cosine_similarity": 0.3949335515499115 } }, { "source": "CID:44497649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "SD-6-035-A8-genipin similarity", "source_label": "SD-6-035-A8", "target_label": "genipin", "cosine_similarity": 0.3360163867473602 } }, { "source": "CID:10660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4628", "properties": { "id": "dimenhydrinate-oxolinic-acid similarity", "source_label": "dimenhydrinate", "target_label": "oxolinic-acid", "cosine_similarity": 0.2464892119169235 } }, { "source": "CID:208902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "ramelteon-myriocin similarity", "source_label": "ramelteon", "target_label": "myriocin", "cosine_similarity": 0.4112008213996887 } }, { "source": "CID:5311047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "cisapride-dapivirine similarity", "source_label": "cisapride", "target_label": "dapivirine", "cosine_similarity": 0.6011510491371155 } }, { "source": "CID:135565082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "talazoparib-amsacrine similarity", "source_label": "talazoparib", "target_label": "amsacrine", "cosine_similarity": 0.5747106671333313 } }, { "source": "CID:3247059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "epoxycholesterol-thalidomide similarity", "source_label": "epoxycholesterol", "target_label": "thalidomide", "cosine_similarity": 0.2621977925300598 } }, { "source": "CID:54659308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-1457169-SA-1458902 similarity", "source_label": "SA-1457169", "target_label": "SA-1458902", "cosine_similarity": 0.2474621683359146 } }, { "source": "CID:45489449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "VU-0415556-1-vorinostat similarity", "source_label": "VU-0415556-1", "target_label": "vorinostat", "cosine_similarity": 0.5187956690788269 } }, { "source": "CID:2949965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "importazole-CCT-031374 similarity", "source_label": "importazole", "target_label": "CCT-031374", "cosine_similarity": 0.6064362525939941 } }, { "source": "CID:24180719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "PLX-4720-vemurafenib similarity", "source_label": "PLX-4720", "target_label": "vemurafenib", "cosine_similarity": 0.4584619998931885 } }, { "source": "CID:73707477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "pivmecillinam-SA-423131 similarity", "source_label": "pivmecillinam", "target_label": "SA-423131", "cosine_similarity": 0.2825178205966949 } }, { "source": "CID:770820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "O-3M3FBS-nadolol similarity", "source_label": "O-3M3FBS", "target_label": "nadolol", "cosine_similarity": 0.3045181632041931 } }, { "source": "CID:24812758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "canagliflozin-NF-449 similarity", "source_label": "canagliflozin", "target_label": "NF-449", "cosine_similarity": 0.2800526916980743 } }, { "source": "CID:73707612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "BG-1015-dubinidine similarity", "source_label": "BG-1015", "target_label": "dubinidine", "cosine_similarity": 0.231621652841568 } }, { "source": "CID:65492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "iopamidol-amikacin similarity", "source_label": "iopamidol", "target_label": "amikacin", "cosine_similarity": 0.3134239614009857 } }, { "source": "CID:5702153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2286", "properties": { "id": "cinchonine-BADGE similarity", "source_label": "cinchonine", "target_label": "BADGE", "cosine_similarity": 0.2225703597068786 } }, { "source": "CID:71481097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "KPT-330-amsacrine similarity", "source_label": "KPT-330", "target_label": "amsacrine", "cosine_similarity": 0.5156018137931824 } }, { "source": "CID:24856041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771867", "properties": { "id": "AMG-900-alisertib similarity", "source_label": "AMG-900", "target_label": "alisertib", "cosine_similarity": 0.2602502703666687 } }, { "source": "CID:193949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "SDZ-21009-tamoxifen similarity", "source_label": "SDZ-21009", "target_label": "tamoxifen", "cosine_similarity": 0.4649383127689361 } }, { "source": "CID:54666570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "SA-1921456-T-98475 similarity", "source_label": "SA-1921456", "target_label": "T-98475", "cosine_similarity": 0.6087308526039124 } }, { "source": "CID:9806489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "ZK-164015-rhodomyrtoxin-b similarity", "source_label": "ZK-164015", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.5238602757453918 } }, { "source": "CID:25166913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "glasdegib-metixene similarity", "source_label": "glasdegib", "target_label": "metixene", "cosine_similarity": 0.30246502161026 } }, { "source": "CID:343083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "cuneatin-resveratrol similarity", "source_label": "cuneatin", "target_label": "resveratrol", "cosine_similarity": 0.30413818359375 } }, { "source": "CID:46220502", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "LY-2835219-JNJ-7706621 similarity", "source_label": "LY-2835219", "target_label": "JNJ-7706621", "cosine_similarity": 0.4851226508617401 } }, { "source": "CID:49843144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3579902", "properties": { "id": "SD-6-035-B2-KU-C103874 similarity", "source_label": "SD-6-035-B2", "target_label": "KU-C103874", "cosine_similarity": 0.2425382733345031 } }, { "source": "CID:24772043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "tenovin-6-obatoclax similarity", "source_label": "tenovin-6", "target_label": "obatoclax", "cosine_similarity": 0.5423480868339539 } }, { "source": "CID:54657731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-1458689-SA-1939915 similarity", "source_label": "SA-1458689", "target_label": "SA-1939915", "cosine_similarity": 0.3334510326385498 } }, { "source": "CID:60923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747776", "properties": { "id": "quiflapon-CHEMBL-399379 similarity", "source_label": "quiflapon", "target_label": "CHEMBL-399379", "cosine_similarity": 0.4717843532562256 } }, { "source": "CID:11234049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:938", "properties": { "id": "tedizolid-niacin similarity", "source_label": "tedizolid", "target_label": "niacin", "cosine_similarity": 0.4631012082099914 } }, { "source": "CID:107982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "dihydrocapsaicin-NSC-95397 similarity", "source_label": "dihydrocapsaicin", "target_label": "NSC-95397", "cosine_similarity": 0.2788694202899933 } }, { "source": "CID:198693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "CI-966-danegaptide similarity", "source_label": "CI-966", "target_label": "danegaptide", "cosine_similarity": 0.4370291233062744 } }, { "source": "CID:54657755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "SA-1459830-ME-0328 similarity", "source_label": "SA-1459830", "target_label": "ME-0328", "cosine_similarity": 0.2700078189373016 } }, { "source": "CID:6708573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "oleanolic-acid-cyclothiazide similarity", "source_label": "oleanolic-acid", "target_label": "cyclothiazide", "cosine_similarity": 0.2557147443294525 } }, { "source": "CID:92722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "argatroban-tolcapone similarity", "source_label": "argatroban", "target_label": "tolcapone", "cosine_similarity": 0.3388611674308777 } }, { "source": "CID:73707438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23846563", "properties": { "id": "YL-54-helveticoside similarity", "source_label": "YL-54", "target_label": "helveticoside", "cosine_similarity": 0.2792515754699707 } }, { "source": "CID:10000456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:609483", "properties": { "id": "RS-102895-ARC-239 similarity", "source_label": "RS-102895", "target_label": "ARC-239", "cosine_similarity": 0.3224772810935974 } }, { "source": "CID:54657714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-1457305-SA-1921816 similarity", "source_label": "SA-1457305", "target_label": "SA-1921816", "cosine_similarity": 0.3288950324058532 } }, { "source": "CID:5505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82148", "properties": { "id": "tolbutamide-agomelatine similarity", "source_label": "tolbutamide", "target_label": "agomelatine", "cosine_similarity": 0.3616290688514709 } }, { "source": "CID:57267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24733", "properties": { "id": "eticlopride-alfadolone-acetate similarity", "source_label": "eticlopride", "target_label": "alfadolone-acetate", "cosine_similarity": 0.2297941148281097 } }, { "source": "CID:9902311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "TGX-115-BMS-536924 similarity", "source_label": "TGX-115", "target_label": "BMS-536924", "cosine_similarity": 0.5077014565467834 } }, { "source": "CID:47641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3969", "properties": { "id": "naftifine-tomelukast similarity", "source_label": "naftifine", "target_label": "tomelukast", "cosine_similarity": 0.4541840851306915 } }, { "source": "CID:470071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ethambutol-FTI-276 similarity", "source_label": "ethambutol", "target_label": "FTI-276", "cosine_similarity": 0.2859912514686584 } }, { "source": "CID:441289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "pancuronium-UB-165 similarity", "source_label": "pancuronium", "target_label": "UB-165", "cosine_similarity": 0.231726199388504 } }, { "source": "CID:56599293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57390074", "properties": { "id": "AZD-3463-AP-26113 similarity", "source_label": "AZD-3463", "target_label": "AP-26113", "cosine_similarity": 0.4830553829669952 } }, { "source": "CID:5475586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "BCI-hydrochloride-NSC-632839 similarity", "source_label": "BCI-hydrochloride", "target_label": "NSC-632839", "cosine_similarity": 0.7454829216003418 } }, { "source": "CID:38853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "methyldopa-CV-1808 similarity", "source_label": "methyldopa", "target_label": "CV-1808", "cosine_similarity": 0.2768341302871704 } }, { "source": "CID:5713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10090485", "properties": { "id": "YO-2-LY-2157299 similarity", "source_label": "YO-2", "target_label": "LY-2157299", "cosine_similarity": 0.2152684479951858 } }, { "source": "CID:59149652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071166", "properties": { "id": "AZD-5069-DCPIB similarity", "source_label": "AZD-5069", "target_label": "DCPIB", "cosine_similarity": 0.1979961395263672 } }, { "source": "CID:2678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5756", "properties": { "id": "cetirizine-estriol similarity", "source_label": "cetirizine", "target_label": "estriol", "cosine_similarity": 0.3092833757400512 } }, { "source": "CID:969516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "curcumin-manumycin-a similarity", "source_label": "curcumin", "target_label": "manumycin-a", "cosine_similarity": 0.5583924055099487 } }, { "source": "CID:4199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "minaprine-cefoperazone similarity", "source_label": "minaprine", "target_label": "cefoperazone", "cosine_similarity": 0.3962913155555725 } }, { "source": "CID:3610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:55245", "properties": { "id": "hexylresorcinol-mifepristone similarity", "source_label": "hexylresorcinol", "target_label": "mifepristone", "cosine_similarity": 0.1691031903028488 } }, { "source": "CID:3156173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ST-014366-Gossypetin similarity", "source_label": "ST-014366", "target_label": "Gossypetin", "cosine_similarity": 0.2761971354484558 } }, { "source": "CID:464205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483247", "properties": { "id": "tenofovir-prednicarbate similarity", "source_label": "tenofovir", "target_label": "prednicarbate", "cosine_similarity": 0.307610422372818 } }, { "source": "CID:1794427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44199317", "properties": { "id": "chlorogenic-acid-AZD-2461 similarity", "source_label": "chlorogenic-acid", "target_label": "AZD-2461", "cosine_similarity": 0.2243187874555587 } }, { "source": "CID:71496458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "AZD-9291-GR-127935 similarity", "source_label": "AZD-9291", "target_label": "GR-127935", "cosine_similarity": 0.4403474032878876 } }, { "source": "CID:153994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54416524", "properties": { "id": "cleviprex-doxycycline similarity", "source_label": "cleviprex", "target_label": "doxycycline", "cosine_similarity": 0.1999717354774475 } }, { "source": "CID:659840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "vesamicol-PRIMA1 similarity", "source_label": "vesamicol", "target_label": "PRIMA1", "cosine_similarity": 0.3384134471416473 } }, { "source": "CID:3241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "epinastine-cholic-acid similarity", "source_label": "epinastine", "target_label": "cholic-acid", "cosine_similarity": 0.3399359583854675 } }, { "source": "CID:5282071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "sirolimus-everolimus similarity", "source_label": "sirolimus", "target_label": "everolimus", "cosine_similarity": 0.8377681374549866 } }, { "source": "CID:9604993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "DMeOB-cortisone-acetate similarity", "source_label": "DMeOB", "target_label": "cortisone-acetate", "cosine_similarity": 0.2898229956626892 } }, { "source": "CID:60877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "emtricitabine-carglumic-acid similarity", "source_label": "emtricitabine", "target_label": "carglumic-acid", "cosine_similarity": 0.5123155117034912 } }, { "source": "CID:2148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "aminohippuric-acid-levopropoxyphene similarity", "source_label": "aminohippuric-acid", "target_label": "levopropoxyphene", "cosine_similarity": 0.2635761499404907 } }, { "source": "CID:122173063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "GSK-J2-inositol similarity", "source_label": "GSK-J2", "target_label": "inositol", "cosine_similarity": 0.7173827290534973 } }, { "source": "CID:14900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "1-monopalmitin-GW-1929 similarity", "source_label": "1-monopalmitin", "target_label": "GW-1929", "cosine_similarity": 0.2970672845840454 } }, { "source": "CID:68602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151172", "properties": { "id": "medetomidine-cariporide similarity", "source_label": "medetomidine", "target_label": "cariporide", "cosine_similarity": 0.4283761978149414 } }, { "source": "CID:46700756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91930061", "properties": { "id": "LY-2606368-bruceantin similarity", "source_label": "LY-2606368", "target_label": "bruceantin", "cosine_similarity": 0.4862637519836426 } }, { "source": "CID:86101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1225", "properties": { "id": "epidepride-SKF-82958 similarity", "source_label": "epidepride", "target_label": "SKF-82958", "cosine_similarity": 0.258481502532959 } }, { "source": "CID:108094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "RX-821002-fumonisin-b1 similarity", "source_label": "RX-821002", "target_label": "fumonisin-b1", "cosine_similarity": 0.2925962805747986 } }, { "source": "CID:5311493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "U-46619-BMS-191011 similarity", "source_label": "U-46619", "target_label": "BMS-191011", "cosine_similarity": 0.2686369717121124 } }, { "source": "CID:3132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "thiorphan-thiazolopyrimidine similarity", "source_label": "thiorphan", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3300462365150451 } }, { "source": "CID:5281621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "gossypin-morin similarity", "source_label": "gossypin", "target_label": "morin", "cosine_similarity": 0.6162570118904114 } }, { "source": "CID:9908992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "RS-79948-EXO-1 similarity", "source_label": "RS-79948", "target_label": "EXO-1", "cosine_similarity": 0.2814042866230011 } }, { "source": "CID:11524144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "dorsomorphin-PF-562271 similarity", "source_label": "dorsomorphin", "target_label": "PF-562271", "cosine_similarity": 0.5589289665222168 } }, { "source": "CID:24864821", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "AMG-208-imiquimod similarity", "source_label": "AMG-208", "target_label": "imiquimod", "cosine_similarity": 0.3031301498413086 } }, { "source": "CID:378811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6697", "properties": { "id": "MR-16728-benzanthrone similarity", "source_label": "MR-16728", "target_label": "benzanthrone", "cosine_similarity": 0.2298547774553299 } }, { "source": "CID:56846693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "CEP-32496-PI-828 similarity", "source_label": "CEP-32496", "target_label": "PI-828", "cosine_similarity": 0.3734966516494751 } }, { "source": "CID:123964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "ASA-404-AICA-ribonucleotide similarity", "source_label": "ASA-404", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2857184708118438 } }, { "source": "CID:17755052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "GDC-0941-GDC-0980 similarity", "source_label": "GDC-0941", "target_label": "GDC-0980", "cosine_similarity": 0.6722772717475891 } }, { "source": "CID:65997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "lerisetron-lamotrigine similarity", "source_label": "lerisetron", "target_label": "lamotrigine", "cosine_similarity": 0.3012185394763946 } }, { "source": "CID:5311047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20555075", "properties": { "id": "cisapride-CGP-12177 similarity", "source_label": "cisapride", "target_label": "CGP-12177", "cosine_similarity": 0.4383362531661987 } }, { "source": "CID:60606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "clopidogrel-hydrocortisone-acetate similarity", "source_label": "clopidogrel", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3305125832557678 } }, { "source": "CID:50248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "triclabendazole-brivanib similarity", "source_label": "triclabendazole", "target_label": "brivanib", "cosine_similarity": 0.2713410556316376 } }, { "source": "CID:2833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "colchicine-vinblastine similarity", "source_label": "colchicine", "target_label": "vinblastine", "cosine_similarity": 0.797588586807251 } }, { "source": "CID:2310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "bemegride-tasquinimod similarity", "source_label": "bemegride", "target_label": "tasquinimod", "cosine_similarity": 0.4883736073970794 } }, { "source": "CID:650361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "ASN-05257430-pemetrexed similarity", "source_label": "ASN-05257430", "target_label": "pemetrexed", "cosine_similarity": 0.5119056701660156 } }, { "source": "CID:44489854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "SA-423131-dubinidine similarity", "source_label": "SA-423131", "target_label": "dubinidine", "cosine_similarity": 0.3552271723747253 } }, { "source": "CID:56649450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "alpelisib-ZSTK-474 similarity", "source_label": "alpelisib", "target_label": "ZSTK-474", "cosine_similarity": 0.5345121026039124 } }, { "source": "CID:44483269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "atovaquone-castanospermine similarity", "source_label": "atovaquone", "target_label": "castanospermine", "cosine_similarity": 0.4105205535888672 } }, { "source": "CID:10302451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607360", "properties": { "id": "saracatinib-WZ-3146 similarity", "source_label": "saracatinib", "target_label": "WZ-3146", "cosine_similarity": 0.5287793874740601 } }, { "source": "CID:644076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24113957", "properties": { "id": "lypressin-H-9 similarity", "source_label": "lypressin", "target_label": "H-9", "cosine_similarity": 0.2794077098369598 } }, { "source": "CID:33630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "penfluridol-milnacipran similarity", "source_label": "penfluridol", "target_label": "milnacipran", "cosine_similarity": 0.5210375785827637 } }, { "source": "CID:7092995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3957", "properties": { "id": "dehydroepiandrosterone-loratadine similarity", "source_label": "dehydroepiandrosterone", "target_label": "loratadine", "cosine_similarity": 0.3163874447345733 } }, { "source": "CID:5681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2990", "properties": { "id": "W-7-dephostatin similarity", "source_label": "W-7", "target_label": "dephostatin", "cosine_similarity": 0.2386176139116287 } }, { "source": "CID:18496254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "lactotensin-MW-STK33-100 similarity", "source_label": "lactotensin", "target_label": "MW-STK33-100", "cosine_similarity": 0.2625067830085754 } }, { "source": "CID:5447130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "nitrofural-PSH-024 similarity", "source_label": "nitrofural", "target_label": "PSH-024", "cosine_similarity": 0.2153714597225189 } }, { "source": "CID:44483957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "SA-424936-myricetin similarity", "source_label": "SA-424936", "target_label": "myricetin", "cosine_similarity": 0.2975475788116455 } }, { "source": "CID:57364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "carmoxirole-AICA-ribonucleotide similarity", "source_label": "carmoxirole", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.308234304189682 } }, { "source": "CID:2088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8616", "properties": { "id": "alendronic-acid-peucedanin similarity", "source_label": "alendronic-acid", "target_label": "peucedanin", "cosine_similarity": 0.2005481570959091 } }, { "source": "CID:328236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "heraclenol-valsartan similarity", "source_label": "heraclenol", "target_label": "valsartan", "cosine_similarity": 0.306009292602539 } }, { "source": "CID:4516886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "GW-1929-phenothiazine similarity", "source_label": "GW-1929", "target_label": "phenothiazine", "cosine_similarity": 0.3896379172801971 } }, { "source": "CID:5703601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "SEW-05685-promazine similarity", "source_label": "SEW-05685", "target_label": "promazine", "cosine_similarity": 0.2245557755231857 } }, { "source": "CID:2062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "tyrphostin-GSK-J1 similarity", "source_label": "tyrphostin", "target_label": "GSK-J1", "cosine_similarity": 0.2603251934051513 } }, { "source": "CID:24779724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "SGX-523-AZD-7687 similarity", "source_label": "SGX-523", "target_label": "AZD-7687", "cosine_similarity": 0.4348285794258117 } }, { "source": "CID:2678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "cetirizine-syringic-acid similarity", "source_label": "cetirizine", "target_label": "syringic-acid", "cosine_similarity": 0.2732434570789337 } }, { "source": "CID:6194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "uracil-mustard-irinotecan similarity", "source_label": "uracil-mustard", "target_label": "irinotecan", "cosine_similarity": 0.4379449784755707 } }, { "source": "CID:135511839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "carbadox-zebularine similarity", "source_label": "carbadox", "target_label": "zebularine", "cosine_similarity": 0.2331307530403137 } }, { "source": "CID:1607628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "EMF-sumo1-3-butein similarity", "source_label": "EMF-sumo1-3", "target_label": "butein", "cosine_similarity": 0.433632880449295 } }, { "source": "CID:5281051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "hypericin-topiramate similarity", "source_label": "hypericin", "target_label": "topiramate", "cosine_similarity": 0.5079296827316284 } }, { "source": "CID:9801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "prenylamine-PSH-024 similarity", "source_label": "prenylamine", "target_label": "PSH-024", "cosine_similarity": 0.2896088063716888 } }, { "source": "CID:393595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "MRS-1220-SA-1447005 similarity", "source_label": "MRS-1220", "target_label": "SA-1447005", "cosine_similarity": 0.4945512413978576 } }, { "source": "CID:9935249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5494449", "properties": { "id": "tipifarnib-tozasertib similarity", "source_label": "tipifarnib", "target_label": "tozasertib", "cosine_similarity": 0.3680201470851898 } }, { "source": "CID:2743956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23986045", "properties": { "id": "SPB02137-karakoline similarity", "source_label": "SPB02137", "target_label": "karakoline", "cosine_similarity": 0.2980480194091797 } }, { "source": "CID:5280804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24772043", "properties": { "id": "isoquercetin-tenovin-6 similarity", "source_label": "isoquercetin", "target_label": "tenovin-6", "cosine_similarity": 0.2648064792156219 } }, { "source": "CID:44634697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503093", "properties": { "id": "kitasamycin-SA-246522 similarity", "source_label": "kitasamycin", "target_label": "SA-246522", "cosine_similarity": 0.2062321752309799 } }, { "source": "CID:4211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "mitotane-ALW-II-49-7 similarity", "source_label": "mitotane", "target_label": "ALW-II-49-7", "cosine_similarity": 0.2695300579071045 } }, { "source": "CID:54657737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657739", "properties": { "id": "SA-1457769-SA-1458189 similarity", "source_label": "SA-1457769", "target_label": "SA-1458189", "cosine_similarity": 0.2460021823644638 } }, { "source": "CID:5092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "rolipram-Gly-Gly-PALO similarity", "source_label": "rolipram", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.5022263526916504 } }, { "source": "CID:9549213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "PU-H71-NVP-AUY922 similarity", "source_label": "PU-H71", "target_label": "NVP-AUY922", "cosine_similarity": 0.8104813098907471 } }, { "source": "CID:10228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "osthol-gatifloxacin similarity", "source_label": "osthol", "target_label": "gatifloxacin", "cosine_similarity": 0.2039766013622284 } }, { "source": "CID:4771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3001055", "properties": { "id": "phentermine-ranitidine similarity", "source_label": "phentermine", "target_label": "ranitidine", "cosine_similarity": 0.3318941593170166 } }, { "source": "CID:720932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "ST-012525-ST-022313 similarity", "source_label": "ST-012525", "target_label": "ST-022313", "cosine_similarity": 0.2696959674358368 } }, { "source": "CID:71188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "enrofloxacin-FTI-276 similarity", "source_label": "enrofloxacin", "target_label": "FTI-276", "cosine_similarity": 0.3477634787559509 } }, { "source": "CID:177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "acetaldehyde-meclofenamic-acid similarity", "source_label": "acetaldehyde", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2370050251483917 } }, { "source": "CID:42008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115368", "properties": { "id": "cefmetazole-perospirone similarity", "source_label": "cefmetazole", "target_label": "perospirone", "cosine_similarity": 0.1849317401647567 } }, { "source": "CID:9824562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3341", "properties": { "id": "andarine-fenoldopam similarity", "source_label": "andarine", "target_label": "fenoldopam", "cosine_similarity": 0.3289973735809326 } }, { "source": "CID:3689416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "K784-3188-K784-3187 similarity", "source_label": "K784-3188", "target_label": "K784-3187", "cosine_similarity": 0.8730049729347229 } }, { "source": "CID:24963252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "TAK-733-Ro-4987655 similarity", "source_label": "TAK-733", "target_label": "Ro-4987655", "cosine_similarity": 0.8838962912559509 } }, { "source": "CID:44483339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "BVT-948-NSC-663284 similarity", "source_label": "BVT-948", "target_label": "NSC-663284", "cosine_similarity": 0.5634235739707947 } }, { "source": "CID:11488320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44182295", "properties": { "id": "AZD-8931-refametinib similarity", "source_label": "AZD-8931", "target_label": "refametinib", "cosine_similarity": 0.3199866712093353 } }, { "source": "CID:47811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "pergolide-parecoxib similarity", "source_label": "pergolide", "target_label": "parecoxib", "cosine_similarity": 0.2784942388534546 } }, { "source": "CID:25099184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "AZ-960-palbociclib similarity", "source_label": "AZ-960", "target_label": "palbociclib", "cosine_similarity": 0.4319849014282226 } }, { "source": "CID:11096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "pseudopelletierine-fumonisin-b1 similarity", "source_label": "pseudopelletierine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2844593822956085 } }, { "source": "CID:1986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918184", "properties": { "id": "acetazolamide-Y-27152 similarity", "source_label": "acetazolamide", "target_label": "Y-27152", "cosine_similarity": 0.4231951236724853 } }, { "source": "CID:3009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4887", "properties": { "id": "eflornithine-pranlukast similarity", "source_label": "eflornithine", "target_label": "pranlukast", "cosine_similarity": 0.2763384282588959 } }, { "source": "CID:10635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "dihydrotestosterone-TEPP-46 similarity", "source_label": "dihydrotestosterone", "target_label": "TEPP-46", "cosine_similarity": 0.2008866965770721 } }, { "source": "CID:6708778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "teniposide-SN-38 similarity", "source_label": "teniposide", "target_label": "SN-38", "cosine_similarity": 0.8208560943603516 } }, { "source": "CID:11304743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72093", "properties": { "id": "riociguat-otilonium similarity", "source_label": "riociguat", "target_label": "otilonium", "cosine_similarity": 0.455240786075592 } }, { "source": "CID:7211972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "VU-0240551-lorazepam similarity", "source_label": "VU-0240551", "target_label": "lorazepam", "cosine_similarity": 0.2454205602407455 } }, { "source": "CID:4369270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "digitoxigenin-cinobufagin similarity", "source_label": "digitoxigenin", "target_label": "cinobufagin", "cosine_similarity": 0.8275578618049622 } }, { "source": "CID:24872560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "ARN-509-pentoxifylline similarity", "source_label": "ARN-509", "target_label": "pentoxifylline", "cosine_similarity": 0.2289288341999054 } }, { "source": "CID:3759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "isocarboxazid-temozolomide similarity", "source_label": "isocarboxazid", "target_label": "temozolomide", "cosine_similarity": 0.2804650366306305 } }, { "source": "CID:214346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5496659", "properties": { "id": "BCI-540-otamixaban similarity", "source_label": "BCI-540", "target_label": "otamixaban", "cosine_similarity": 0.3976689279079437 } }, { "source": "CID:44506644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500998", "properties": { "id": "SA-247508-SA-245650 similarity", "source_label": "SA-247508", "target_label": "SA-245650", "cosine_similarity": 0.3352281749248504 } }, { "source": "CID:2756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "cimetidine-actarit similarity", "source_label": "cimetidine", "target_label": "actarit", "cosine_similarity": 0.4702135026454925 } }, { "source": "CID:3325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "famotidine-CGS-21680 similarity", "source_label": "famotidine", "target_label": "CGS-21680", "cosine_similarity": 0.3209571242332458 } }, { "source": "CID:10521421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "10-DEBC-CCT-031374 similarity", "source_label": "10-DEBC", "target_label": "CCT-031374", "cosine_similarity": 0.5388143658638 } }, { "source": "CID:107896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "gabazine-alda-1 similarity", "source_label": "gabazine", "target_label": "alda-1", "cosine_similarity": 0.3178671300411224 } }, { "source": "CID:454216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "valrubicin-idarubicin similarity", "source_label": "valrubicin", "target_label": "idarubicin", "cosine_similarity": 0.6045279502868652 } }, { "source": "CID:3229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92722", "properties": { "id": "enoxacin-argatroban similarity", "source_label": "enoxacin", "target_label": "argatroban", "cosine_similarity": 0.27059206366539 } }, { "source": "CID:5497183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "z-leu3-VS-EMF-bca1-16 similarity", "source_label": "z-leu3-VS", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7620370388031006 } }, { "source": "CID:19675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "piperacetazine-MW-MITF9 similarity", "source_label": "piperacetazine", "target_label": "MW-MITF9", "cosine_similarity": 0.2700940072536468 } }, { "source": "CID:5702036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "dexamethasone-acetate-dexamethasone similarity", "source_label": "dexamethasone-acetate", "target_label": "dexamethasone", "cosine_similarity": 0.6289368271827698 } }, { "source": "CID:31703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "doxorubicin-daunorubicin similarity", "source_label": "doxorubicin", "target_label": "daunorubicin", "cosine_similarity": 0.9002184867858887 } }, { "source": "CID:3658", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "hydroxyzine-drofenine similarity", "source_label": "hydroxyzine", "target_label": "drofenine", "cosine_similarity": 0.2875648438930511 } }, { "source": "CID:3563638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "L-732138-chloroquine similarity", "source_label": "L-732138", "target_label": "chloroquine", "cosine_similarity": 0.2825035154819488 } }, { "source": "CID:45259137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "VU-0415011-gossypin similarity", "source_label": "VU-0415011", "target_label": "gossypin", "cosine_similarity": 0.2723754942417145 } }, { "source": "CID:25051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657718", "properties": { "id": "cyclocytidine-SA-1456456 similarity", "source_label": "cyclocytidine", "target_label": "SA-1456456", "cosine_similarity": 0.1602198332548141 } }, { "source": "CID:56640146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "dasabuvir-lersivirine similarity", "source_label": "dasabuvir", "target_label": "lersivirine", "cosine_similarity": 0.3178310692310333 } }, { "source": "CID:16739244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115193", "properties": { "id": "lersivirine-isofloxythepin similarity", "source_label": "lersivirine", "target_label": "isofloxythepin", "cosine_similarity": 0.4910732507705688 } }, { "source": "CID:93504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "levcromakalim-meloxicam similarity", "source_label": "levcromakalim", "target_label": "meloxicam", "cosine_similarity": 0.2675820291042328 } }, { "source": "CID:5329102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328940", "properties": { "id": "sunitinib-bosutinib similarity", "source_label": "sunitinib", "target_label": "bosutinib", "cosine_similarity": 0.5320684909820557 } }, { "source": "CID:16117018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "KU-60019-ME-0328 similarity", "source_label": "KU-60019", "target_label": "ME-0328", "cosine_similarity": 0.3402593731880188 } }, { "source": "CID:16659841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "AZD-1480-FTI-276 similarity", "source_label": "AZD-1480", "target_label": "FTI-276", "cosine_similarity": 0.3743048310279846 } }, { "source": "CID:4549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49848070", "properties": { "id": "NPPB-taladegib similarity", "source_label": "NPPB", "target_label": "taladegib", "cosine_similarity": 0.2107659876346588 } }, { "source": "CID:5040063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449381", "properties": { "id": "PPT-oseltamivir-carboxylate similarity", "source_label": "PPT", "target_label": "oseltamivir-carboxylate", "cosine_similarity": 0.1900425553321838 } }, { "source": "CID:37907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "climbazole-pyrazinoylguanidine similarity", "source_label": "climbazole", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.432249903678894 } }, { "source": "CID:73707473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40469854", "properties": { "id": "ribostamycin-flumethasone similarity", "source_label": "ribostamycin", "target_label": "flumethasone", "cosine_similarity": 0.3030602037906647 } }, { "source": "CID:135821878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "BJM-CSC-15-KM-03949SC similarity", "source_label": "BJM-CSC-15", "target_label": "KM-03949SC", "cosine_similarity": 0.48001828789711 } }, { "source": "CID:68791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "imexon-marbofloxacin similarity", "source_label": "imexon", "target_label": "marbofloxacin", "cosine_similarity": 0.3465167880058288 } }, { "source": "CID:9838712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "reparixin-riociguat similarity", "source_label": "reparixin", "target_label": "riociguat", "cosine_similarity": 0.3233705163002014 } }, { "source": "CID:3689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41049", "properties": { "id": "ifenprodil-meptazinol similarity", "source_label": "ifenprodil", "target_label": "meptazinol", "cosine_similarity": 0.3297076225280761 } }, { "source": "CID:174174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "atropine-DMNB similarity", "source_label": "atropine", "target_label": "DMNB", "cosine_similarity": 0.2438024580478668 } }, { "source": "CID:6610303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "U-74389F-perphenazine similarity", "source_label": "U-74389F", "target_label": "perphenazine", "cosine_similarity": 0.2428585439920425 } }, { "source": "CID:2630179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "EMF-sumo1-12-PT-630 similarity", "source_label": "EMF-sumo1-12", "target_label": "PT-630", "cosine_similarity": 0.3566332757472992 } }, { "source": "CID:9782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "betamethasone-beclomethasone-dipropionate similarity", "source_label": "betamethasone", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.493724375963211 } }, { "source": "CID:15541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "spectinomycin-emetine similarity", "source_label": "spectinomycin", "target_label": "emetine", "cosine_similarity": 0.2785581648349762 } }, { "source": "CID:2949965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "importazole-UNC-0638 similarity", "source_label": "importazole", "target_label": "UNC-0638", "cosine_similarity": 0.6422613859176636 } }, { "source": "CID:3330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "FCCP-cyclosporin-a similarity", "source_label": "FCCP", "target_label": "cyclosporin-a", "cosine_similarity": 0.6777768731117249 } }, { "source": "CID:45006158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "betamethasone-acetate-betamethasone similarity", "source_label": "betamethasone-acetate", "target_label": "betamethasone", "cosine_similarity": 0.4744105637073517 } }, { "source": "CID:23036271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3125011", "properties": { "id": "VU-0413255-1-MW-A1-2 similarity", "source_label": "VU-0413255-1", "target_label": "MW-A1-2", "cosine_similarity": 0.2026558965444564 } }, { "source": "CID:49843020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "CAM-9-021-BMS-641988 similarity", "source_label": "CAM-9-021", "target_label": "BMS-641988", "cosine_similarity": 0.3407720923423767 } }, { "source": "CID:151932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "picolinic-acid-histamine similarity", "source_label": "picolinic-acid", "target_label": "histamine", "cosine_similarity": 0.4224840998649597 } }, { "source": "CID:55652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57345410", "properties": { "id": "spiradoline-EPZ-5676 similarity", "source_label": "spiradoline", "target_label": "EPZ-5676", "cosine_similarity": 0.2189962565898895 } }, { "source": "CID:5494449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9935249", "properties": { "id": "tozasertib-tipifarnib similarity", "source_label": "tozasertib", "target_label": "tipifarnib", "cosine_similarity": 0.3680201470851898 } }, { "source": "CID:208953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "ZK-200775-dipyridamole similarity", "source_label": "ZK-200775", "target_label": "dipyridamole", "cosine_similarity": 0.3260318636894226 } }, { "source": "CID:73707447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "lanatoside-c-ouabain similarity", "source_label": "lanatoside-c", "target_label": "ouabain", "cosine_similarity": 0.5888689756393433 } }, { "source": "CID:6610243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5042", "properties": { "id": "penitrem-a-rebamipide similarity", "source_label": "penitrem-a", "target_label": "rebamipide", "cosine_similarity": 0.4855648875236511 } }, { "source": "CID:44246708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "minocycline-PP-110 similarity", "source_label": "minocycline", "target_label": "PP-110", "cosine_similarity": 0.3432986140251159 } }, { "source": "CID:11978790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51358113", "properties": { "id": "BGT-226-torin-2 similarity", "source_label": "BGT-226", "target_label": "torin-2", "cosine_similarity": 0.7510858774185181 } }, { "source": "CID:22416272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "KU-C103868-travoprost similarity", "source_label": "KU-C103868", "target_label": "travoprost", "cosine_similarity": 0.2588314414024353 } }, { "source": "CID:51695577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8567", "properties": { "id": "melengestrol-meglumine similarity", "source_label": "melengestrol", "target_label": "meglumine", "cosine_similarity": 0.2208285331726074 } }, { "source": "CID:4775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "phenylbutyrate-saxagliptin similarity", "source_label": "phenylbutyrate", "target_label": "saxagliptin", "cosine_similarity": 0.4166346788406372 } }, { "source": "CID:5281670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "morin-ST-059620 similarity", "source_label": "morin", "target_label": "ST-059620", "cosine_similarity": 0.4553055763244629 } }, { "source": "CID:54657707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "SA-1459291-LY-255283 similarity", "source_label": "SA-1459291", "target_label": "LY-255283", "cosine_similarity": 0.2807799279689789 } }, { "source": "CID:24747195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "PSH-026-yohimbine similarity", "source_label": "PSH-026", "target_label": "yohimbine", "cosine_similarity": 0.2776018977165222 } }, { "source": "CID:10767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "amyleine-guanabenz similarity", "source_label": "amyleine", "target_label": "guanabenz", "cosine_similarity": 0.3522212207317352 } }, { "source": "CID:2913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51371328", "properties": { "id": "cyproheptadine-estramustine similarity", "source_label": "cyproheptadine", "target_label": "estramustine", "cosine_similarity": 0.3079586327075958 } }, { "source": "CID:148195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:300471", "properties": { "id": "lonafarnib-elesclomol similarity", "source_label": "lonafarnib", "target_label": "elesclomol", "cosine_similarity": 0.2967102229595184 } }, { "source": "CID:44516953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46912230", "properties": { "id": "PF-05212384-SB-2343 similarity", "source_label": "PF-05212384", "target_label": "SB-2343", "cosine_similarity": 0.7265859842300415 } }, { "source": "CID:3917094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "ST-4070043-AR-C133057XX similarity", "source_label": "ST-4070043", "target_label": "AR-C133057XX", "cosine_similarity": 0.2055653780698776 } }, { "source": "CID:54660070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-1456734-SA-1920722 similarity", "source_label": "SA-1456734", "target_label": "SA-1920722", "cosine_similarity": 0.4453901052474975 } }, { "source": "CID:54658669", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16095342", "properties": { "id": "SA-1456227-GSK-269962 similarity", "source_label": "SA-1456227", "target_label": "GSK-269962", "cosine_similarity": 0.2244765758514404 } }, { "source": "CID:129010004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "tebipenem-PSI-6130 similarity", "source_label": "tebipenem", "target_label": "PSI-6130", "cosine_similarity": 0.4002011120319366 } }, { "source": "CID:134780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "pomalidomide-doxazosin similarity", "source_label": "pomalidomide", "target_label": "doxazosin", "cosine_similarity": 0.3880608677864074 } }, { "source": "CID:3241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "epinastine-D-serine similarity", "source_label": "epinastine", "target_label": "D-serine", "cosine_similarity": 0.3430878818035126 } }, { "source": "CID:60795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "aripiprazole-PF-3845 similarity", "source_label": "aripiprazole", "target_label": "PF-3845", "cosine_similarity": 0.3036783635616302 } }, { "source": "CID:442912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3276", "properties": { "id": "hydroquinidine-etanidazole similarity", "source_label": "hydroquinidine", "target_label": "etanidazole", "cosine_similarity": 0.2303182929754257 } }, { "source": "CID:3157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "doxazosin-desoxypeganine similarity", "source_label": "doxazosin", "target_label": "desoxypeganine", "cosine_similarity": 0.4072033762931824 } }, { "source": "CID:774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2170", "properties": { "id": "histamine-amoxapine similarity", "source_label": "histamine", "target_label": "amoxapine", "cosine_similarity": 0.5216500759124756 } }, { "source": "CID:3803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "JLK-6-thiostrepton similarity", "source_label": "JLK-6", "target_label": "thiostrepton", "cosine_similarity": 0.5466908812522888 } }, { "source": "CID:102614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483335", "properties": { "id": "dpn-GW-311616 similarity", "source_label": "dpn", "target_label": "GW-311616", "cosine_similarity": 0.2001824229955673 } }, { "source": "CID:2756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "cimetidine-CV-1808 similarity", "source_label": "cimetidine", "target_label": "CV-1808", "cosine_similarity": 0.4611185789108276 } }, { "source": "CID:5032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "racephedrine-syringic-acid similarity", "source_label": "racephedrine", "target_label": "syringic-acid", "cosine_similarity": 0.2691866159439087 } }, { "source": "CID:441853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "cymarin-ouabain similarity", "source_label": "cymarin", "target_label": "ouabain", "cosine_similarity": 0.865855872631073 } }, { "source": "CID:3083928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610281", "properties": { "id": "fraxidin-lithium-chloride similarity", "source_label": "fraxidin", "target_label": "lithium-chloride", "cosine_similarity": 0.2367730438709259 } }, { "source": "CID:3917094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5450", "properties": { "id": "ST-4070043-thioperamide similarity", "source_label": "ST-4070043", "target_label": "thioperamide", "cosine_similarity": 0.2177028805017471 } }, { "source": "CID:133538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:90843500", "properties": { "id": "SKF-83959-rolitetracycline similarity", "source_label": "SKF-83959", "target_label": "rolitetracycline", "cosine_similarity": 0.1966559439897537 } }, { "source": "CID:68770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "talinolol-flavoxate similarity", "source_label": "talinolol", "target_label": "flavoxate", "cosine_similarity": 0.353261649608612 } }, { "source": "CID:3275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "etafenone-perzinfotel similarity", "source_label": "etafenone", "target_label": "perzinfotel", "cosine_similarity": 0.3141034543514251 } }, { "source": "CID:107970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "fingolimod-loxoprofen similarity", "source_label": "fingolimod", "target_label": "loxoprofen", "cosine_similarity": 0.3014025092124939 } }, { "source": "CID:31508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4632", "properties": { "id": "proquazone-oxybenzone similarity", "source_label": "proquazone", "target_label": "oxybenzone", "cosine_similarity": 0.2705504298210144 } }, { "source": "CID:44251485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "VU-0405172-2-leu-enkephalin similarity", "source_label": "VU-0405172-2", "target_label": "leu-enkephalin", "cosine_similarity": 0.3993076682090759 } }, { "source": "CID:25226117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "HG-5-88-01-JAS07-006 similarity", "source_label": "HG-5-88-01", "target_label": "JAS07-006", "cosine_similarity": 0.3279835283756256 } }, { "source": "CID:6851740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "ispinesib-suloctidil similarity", "source_label": "ispinesib", "target_label": "suloctidil", "cosine_similarity": 0.6109462976455688 } }, { "source": "CID:128018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "GR-55562-U-18666A similarity", "source_label": "GR-55562", "target_label": "U-18666A", "cosine_similarity": 0.404908686876297 } }, { "source": "CID:2119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2187", "properties": { "id": "alprenolol-anastrozole similarity", "source_label": "alprenolol", "target_label": "anastrozole", "cosine_similarity": 0.2118716090917587 } }, { "source": "CID:58258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4770", "properties": { "id": "rufloxacin-phenprobamate similarity", "source_label": "rufloxacin", "target_label": "phenprobamate", "cosine_similarity": 0.2024826258420944 } }, { "source": "CID:6037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3938007", "properties": { "id": "folic-acid-ZD-7288 similarity", "source_label": "folic-acid", "target_label": "ZD-7288", "cosine_similarity": 0.5003253221511841 } }, { "source": "CID:11570626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2392", "properties": { "id": "MK-0893-pibenzimol similarity", "source_label": "MK-0893", "target_label": "pibenzimol", "cosine_similarity": 0.3776537477970123 } }, { "source": "CID:46943432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "I-BET-762-BI-2536 similarity", "source_label": "I-BET-762", "target_label": "BI-2536", "cosine_similarity": 0.7246454358100891 } }, { "source": "CID:3081361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "vandetanib-salmeterol similarity", "source_label": "vandetanib", "target_label": "salmeterol", "cosine_similarity": 0.6657566428184509 } }, { "source": "CID:7534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245449", "properties": { "id": "eucatropine-TUL_XIX002 similarity", "source_label": "eucatropine", "target_label": "TUL_XIX002", "cosine_similarity": 0.2606600821018219 } }, { "source": "CID:197690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "SB-205384-Y-27632 similarity", "source_label": "SB-205384", "target_label": "Y-27632", "cosine_similarity": 0.2192692905664444 } }, { "source": "CID:20393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "monoethylhexylphthalate-R-547 similarity", "source_label": "monoethylhexylphthalate", "target_label": "R-547", "cosine_similarity": 0.2173041105270385 } }, { "source": "CID:73707508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108094", "properties": { "id": "lynestrenol-RX-821002 similarity", "source_label": "lynestrenol", "target_label": "RX-821002", "cosine_similarity": 0.2005115449428558 } }, { "source": "CID:48229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "talniflumate-cerulenin similarity", "source_label": "talniflumate", "target_label": "cerulenin", "cosine_similarity": 0.2252547293901443 } }, { "source": "CID:5491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "tetramethylsilane-diclofenac similarity", "source_label": "tetramethylsilane", "target_label": "diclofenac", "cosine_similarity": 0.3206197619438171 } }, { "source": "CID:328236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "heraclenol-rolipram similarity", "source_label": "heraclenol", "target_label": "rolipram", "cosine_similarity": 0.315858393907547 } }, { "source": "CID:72193870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "QW-BI-011-VU-0418933-1 similarity", "source_label": "QW-BI-011", "target_label": "VU-0418933-1", "cosine_similarity": 0.3143583536148071 } }, { "source": "CID:5926218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "RG-14620-quercetin similarity", "source_label": "RG-14620", "target_label": "quercetin", "cosine_similarity": 0.2760283052921295 } }, { "source": "CID:9796068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "iniparib-L-ergothioneine similarity", "source_label": "iniparib", "target_label": "L-ergothioneine", "cosine_similarity": 0.7190614342689514 } }, { "source": "CID:10291556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "meloxicam-carbamazepine similarity", "source_label": "meloxicam", "target_label": "carbamazepine", "cosine_similarity": 0.390350192785263 } }, { "source": "CID:126388", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "BD-1008-cladribine similarity", "source_label": "BD-1008", "target_label": "cladribine", "cosine_similarity": 0.2867130041122436 } }, { "source": "CID:1257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13013971", "properties": { "id": "quinpirole-depomedrol similarity", "source_label": "quinpirole", "target_label": "depomedrol", "cosine_similarity": 0.2340846359729766 } }, { "source": "CID:73707370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "TUL-XVIII076-Gossypetin similarity", "source_label": "TUL-XVIII076", "target_label": "Gossypetin", "cosine_similarity": 0.2987146079540252 } }, { "source": "CID:9796068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "iniparib-meclofenamic-acid similarity", "source_label": "iniparib", "target_label": "meclofenamic-acid", "cosine_similarity": 0.6665583848953247 } }, { "source": "CID:44607591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "KU-C104142-L-ergothioneine similarity", "source_label": "KU-C104142", "target_label": "L-ergothioneine", "cosine_similarity": 0.3095825314521789 } }, { "source": "CID:6708558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6127", "properties": { "id": "haematoxylin-pentaacetate-diphemanil similarity", "source_label": "haematoxylin-pentaacetate", "target_label": "diphemanil", "cosine_similarity": 0.2101939767599105 } }, { "source": "CID:26987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "clemastine-NTNCB similarity", "source_label": "clemastine", "target_label": "NTNCB", "cosine_similarity": 0.5734319686889648 } }, { "source": "CID:45100448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "ML-179-BMS-345541 similarity", "source_label": "ML-179", "target_label": "BMS-345541", "cosine_similarity": 0.5253161787986755 } }, { "source": "CID:9064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "cianidanol-marbofloxacin similarity", "source_label": "cianidanol", "target_label": "marbofloxacin", "cosine_similarity": 0.4375580251216888 } }, { "source": "CID:3058754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "deracoxib-oxaprozin similarity", "source_label": "deracoxib", "target_label": "oxaprozin", "cosine_similarity": 0.2149391770362854 } }, { "source": "CID:73707386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "prima-1-met-thiazolopyrimidine similarity", "source_label": "prima-1-met", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.5305312275886536 } }, { "source": "CID:6445540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "ixabepilone-KX-2391 similarity", "source_label": "ixabepilone", "target_label": "KX-2391", "cosine_similarity": 0.8416883945465088 } }, { "source": "CID:72703790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9592990", "properties": { "id": "EGF-816-BAS-00535043 similarity", "source_label": "EGF-816", "target_label": "BAS-00535043", "cosine_similarity": 0.3902297616004944 } }, { "source": "CID:125564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "blonanserin-2-iminobiotin similarity", "source_label": "blonanserin", "target_label": "2-iminobiotin", "cosine_similarity": 0.3421304821968078 } }, { "source": "CID:73707442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23777784", "properties": { "id": "YL-61-UGISS-186 similarity", "source_label": "YL-61", "target_label": "UGISS-186", "cosine_similarity": 0.2606197297573089 } }, { "source": "CID:46931953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51371334", "properties": { "id": "P-22077-idoxuridin similarity", "source_label": "P-22077", "target_label": "idoxuridin", "cosine_similarity": 0.2960525155067444 } }, { "source": "CID:11214940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60923", "properties": { "id": "erastin-quiflapon similarity", "source_label": "erastin", "target_label": "quiflapon", "cosine_similarity": 0.3886401057243347 } }, { "source": "CID:73707524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "stanozolol-ifosfamide similarity", "source_label": "stanozolol", "target_label": "ifosfamide", "cosine_similarity": 0.2266453057527542 } }, { "source": "CID:73707477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "pivmecillinam-molsidomine similarity", "source_label": "pivmecillinam", "target_label": "molsidomine", "cosine_similarity": 0.2953190505504608 } }, { "source": "CID:60769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "MDL-73005EF-cefepime similarity", "source_label": "MDL-73005EF", "target_label": "cefepime", "cosine_similarity": 0.4222479164600372 } }, { "source": "CID:54654232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54655268", "properties": { "id": "SA-1463785-SA-1462246 similarity", "source_label": "SA-1463785", "target_label": "SA-1462246", "cosine_similarity": 0.2936580181121826 } }, { "source": "CID:44484239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-90153-SA-1459849 similarity", "source_label": "SA-90153", "target_label": "SA-1459849", "cosine_similarity": 0.2465345412492752 } }, { "source": "CID:11717001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "GDC-0879-GW-5074 similarity", "source_label": "GDC-0879", "target_label": "GW-5074", "cosine_similarity": 0.3877604603767395 } }, { "source": "CID:73707358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6032", "properties": { "id": "debrisoquine-kanamycin similarity", "source_label": "debrisoquine", "target_label": "kanamycin", "cosine_similarity": 0.2216542959213256 } }, { "source": "CID:10200390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "BAY-61-3606-AZD-5438 similarity", "source_label": "BAY-61-3606", "target_label": "AZD-5438", "cosine_similarity": 0.6195799112319946 } }, { "source": "CID:1720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "CS-1657-MW-MITF28 similarity", "source_label": "CS-1657", "target_label": "MW-MITF28", "cosine_similarity": 0.2788024246692657 } }, { "source": "CID:25105715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "CAY-10594-trifluoperazine similarity", "source_label": "CAY-10594", "target_label": "trifluoperazine", "cosine_similarity": 0.7278529405593872 } }, { "source": "CID:51081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36273", "properties": { "id": "pefloxacin-mecillinam similarity", "source_label": "pefloxacin", "target_label": "mecillinam", "cosine_similarity": 0.2383859306573867 } }, { "source": "CID:155806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "MMPX-thalidomide similarity", "source_label": "MMPX", "target_label": "thalidomide", "cosine_similarity": 0.3494858741760254 } }, { "source": "CID:133017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "rupatadine-gliclazide similarity", "source_label": "rupatadine", "target_label": "gliclazide", "cosine_similarity": 0.7244873642921448 } }, { "source": "CID:49867936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "MLN-9708-ixazomib similarity", "source_label": "MLN-9708", "target_label": "ixazomib", "cosine_similarity": 0.7962539196014404 } }, { "source": "CID:124202168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "HG-9-91-01-JNJ-38877605 similarity", "source_label": "HG-9-91-01", "target_label": "JNJ-38877605", "cosine_similarity": 0.3515119850635528 } }, { "source": "CID:10077147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "BX-795-PP-2 similarity", "source_label": "BX-795", "target_label": "PP-2", "cosine_similarity": 0.4034294188022613 } }, { "source": "CID:16043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856238", "properties": { "id": "tert-butylhydroquinone-FU-JMBII227B similarity", "source_label": "tert-butylhydroquinone", "target_label": "FU-JMBII227B", "cosine_similarity": 0.3184356689453125 } }, { "source": "CID:46903876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72390", "properties": { "id": "SD-6-035-A12-thiazolidinecarboxylic-acid similarity", "source_label": "SD-6-035-A12", "target_label": "thiazolidinecarboxylic-acid", "cosine_similarity": 0.2392167150974273 } }, { "source": "CID:5312114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "CGP-71683-heliomycin similarity", "source_label": "CGP-71683", "target_label": "heliomycin", "cosine_similarity": 0.7377991080284119 } }, { "source": "CID:2753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3307", "properties": { "id": "cilostamide-etizolam similarity", "source_label": "cilostamide", "target_label": "etizolam", "cosine_similarity": 0.2562707066535949 } }, { "source": "CID:60795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "aripiprazole-sertraline similarity", "source_label": "aripiprazole", "target_label": "sertraline", "cosine_similarity": 0.2847350239753723 } }, { "source": "CID:5386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "tegafur-iproniazid similarity", "source_label": "tegafur", "target_label": "iproniazid", "cosine_similarity": 0.2661321759223938 } }, { "source": "CID:11519070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "umeclidinium-A-769662 similarity", "source_label": "umeclidinium", "target_label": "A-769662", "cosine_similarity": 0.3224674761295318 } }, { "source": "CID:5639", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "urapidil-UB-165 similarity", "source_label": "urapidil", "target_label": "UB-165", "cosine_similarity": 0.3509679734706878 } }, { "source": "CID:2753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "cilostamide-NU-1025 similarity", "source_label": "cilostamide", "target_label": "NU-1025", "cosine_similarity": 0.2379123717546463 } }, { "source": "CID:4008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160254", "properties": { "id": "manidipine-cryptotanshinone similarity", "source_label": "manidipine", "target_label": "cryptotanshinone", "cosine_similarity": 0.3102946281433105 } }, { "source": "CID:4515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:574780", "properties": { "id": "NNC-711-BD-1063 similarity", "source_label": "NNC-711", "target_label": "BD-1063", "cosine_similarity": 0.3202333748340606 } }, { "source": "CID:119565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "l-bso-NU-1025 similarity", "source_label": "l-bso", "target_label": "NU-1025", "cosine_similarity": 0.3229297399520874 } }, { "source": "CID:4462449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610313", "properties": { "id": "CAY-10578-ryanodine similarity", "source_label": "CAY-10578", "target_label": "ryanodine", "cosine_similarity": 0.2753068506717682 } }, { "source": "CID:439654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3854666", "properties": { "id": "scoulerine-SB-225002 similarity", "source_label": "scoulerine", "target_label": "SB-225002", "cosine_similarity": 0.2936363220214844 } }, { "source": "CID:5281613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "diosmin-sofalcone similarity", "source_label": "diosmin", "target_label": "sofalcone", "cosine_similarity": 0.2885245084762573 } }, { "source": "CID:6760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "skimmianine-cortisone-acetate similarity", "source_label": "skimmianine", "target_label": "cortisone-acetate", "cosine_similarity": 0.2817373871803283 } }, { "source": "CID:5377914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:821257", "properties": { "id": "methylnorlichexanthone-RAN-14A similarity", "source_label": "methylnorlichexanthone", "target_label": "RAN-14A", "cosine_similarity": 0.2220888435840606 } }, { "source": "CID:4938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388962", "properties": { "id": "propentofylline-enalapril similarity", "source_label": "propentofylline", "target_label": "enalapril", "cosine_similarity": 0.4030093550682068 } }, { "source": "CID:3325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9860529", "properties": { "id": "famotidine-NU-7026 similarity", "source_label": "famotidine", "target_label": "NU-7026", "cosine_similarity": 0.3052214682102203 } }, { "source": "CID:2132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "ambroxol-meglitinide similarity", "source_label": "ambroxol", "target_label": "meglitinide", "cosine_similarity": 0.3834367990493774 } }, { "source": "CID:4756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16095342", "properties": { "id": "phenazopyridine-GSK-269962 similarity", "source_label": "phenazopyridine", "target_label": "GSK-269962", "cosine_similarity": 0.2894800007343292 } }, { "source": "CID:10770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "hexylcaine-pravastatin similarity", "source_label": "hexylcaine", "target_label": "pravastatin", "cosine_similarity": 0.2761846482753753 } }, { "source": "CID:54666597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620657", "properties": { "id": "SA-1920890-SA-424233 similarity", "source_label": "SA-1920890", "target_label": "SA-424233", "cosine_similarity": 0.2599171698093414 } }, { "source": "CID:6913176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "NXY-059-valsartan similarity", "source_label": "NXY-059", "target_label": "valsartan", "cosine_similarity": 0.4507126212120056 } }, { "source": "CID:49766530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "TL-HRAS-61-K784-3131 similarity", "source_label": "TL-HRAS-61", "target_label": "K784-3131", "cosine_similarity": 0.5660239458084106 } }, { "source": "CID:54657732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "SA-1458985-BG-STK33-55 similarity", "source_label": "SA-1458985", "target_label": "BG-STK33-55", "cosine_similarity": 0.2979219555854797 } }, { "source": "CID:10521421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "10-DEBC-UNC-0638 similarity", "source_label": "10-DEBC", "target_label": "UNC-0638", "cosine_similarity": 0.482678085565567 } }, { "source": "CID:6419931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:378811", "properties": { "id": "methyl-hydantoin-MR-16728 similarity", "source_label": "methyl-hydantoin", "target_label": "MR-16728", "cosine_similarity": 0.1981602162122726 } }, { "source": "CID:6127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "diphemanil-SB-203580 similarity", "source_label": "diphemanil", "target_label": "SB-203580", "cosine_similarity": 0.2799022793769836 } }, { "source": "CID:131414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "NCS-382-phenothiazine similarity", "source_label": "NCS-382", "target_label": "phenothiazine", "cosine_similarity": 0.359248548746109 } }, { "source": "CID:6918324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68602", "properties": { "id": "tonabersat-medetomidine similarity", "source_label": "tonabersat", "target_label": "medetomidine", "cosine_similarity": 0.4048987925052643 } }, { "source": "CID:24868309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "CD-1530-I-606051 similarity", "source_label": "CD-1530", "target_label": "I-606051", "cosine_similarity": 0.3970077931880951 } }, { "source": "CID:6173479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "MW-STK33-4A-BAY-11-7082 similarity", "source_label": "MW-STK33-4A", "target_label": "BAY-11-7082", "cosine_similarity": 0.2535471320152282 } }, { "source": "CID:5494449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9911830", "properties": { "id": "tozasertib-tivozanib similarity", "source_label": "tozasertib", "target_label": "tivozanib", "cosine_similarity": 0.4112488031387329 } }, { "source": "CID:151170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "cilomilast-oxatomide similarity", "source_label": "cilomilast", "target_label": "oxatomide", "cosine_similarity": 0.4164389371871948 } }, { "source": "CID:454216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "valrubicin-irinotecan similarity", "source_label": "valrubicin", "target_label": "irinotecan", "cosine_similarity": 0.6010319590568542 } }, { "source": "CID:44494463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-242443-SA-419050 similarity", "source_label": "SA-242443", "target_label": "SA-419050", "cosine_similarity": 0.3148558735847473 } }, { "source": "CID:23725625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "olaparib-nutlin-3 similarity", "source_label": "olaparib", "target_label": "nutlin-3", "cosine_similarity": 0.4382245242595672 } }, { "source": "CID:42636535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "A-66-GSK-429286A similarity", "source_label": "A-66", "target_label": "GSK-429286A", "cosine_similarity": 0.4065702855587005 } }, { "source": "CID:5280647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "Gossypetin-gossypin similarity", "source_label": "Gossypetin", "target_label": "gossypin", "cosine_similarity": 0.7212905287742615 } }, { "source": "CID:46925828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12625909", "properties": { "id": "SD-6-035-A6-cloxacillin similarity", "source_label": "SD-6-035-A6", "target_label": "cloxacillin", "cosine_similarity": 0.2393356710672378 } }, { "source": "CID:3025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "cinchocaine-SJ-172550 similarity", "source_label": "cinchocaine", "target_label": "SJ-172550", "cosine_similarity": 0.1842897534370422 } }, { "source": "CID:2956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "DAPT-GSI-IX-flumethasone-pivalate similarity", "source_label": "DAPT-GSI-IX", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.2553167343139648 } }, { "source": "CID:5282443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "triprolidine-TUL-XX025TFA similarity", "source_label": "triprolidine", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.338279515504837 } }, { "source": "CID:119607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4788", "properties": { "id": "valdecoxib-phloretin similarity", "source_label": "valdecoxib", "target_label": "phloretin", "cosine_similarity": 0.3763559758663177 } }, { "source": "CID:6307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061185", "properties": { "id": "quinethazone-mead-ethanolamide similarity", "source_label": "quinethazone", "target_label": "mead-ethanolamide", "cosine_similarity": 0.2802363336086273 } }, { "source": "CID:65016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "amprenavir-benzbromarone similarity", "source_label": "amprenavir", "target_label": "benzbromarone", "cosine_similarity": 0.2200748473405838 } }, { "source": "CID:11957615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637566", "properties": { "id": "lisuride-nerol similarity", "source_label": "lisuride", "target_label": "nerol", "cosine_similarity": 0.2558408975601196 } }, { "source": "CID:40839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "vindesine-mebendazole similarity", "source_label": "vindesine", "target_label": "mebendazole", "cosine_similarity": 0.5095447301864624 } }, { "source": "CID:11201035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "PHTPP-UB-165 similarity", "source_label": "PHTPP", "target_label": "UB-165", "cosine_similarity": 0.3097476959228515 } }, { "source": "CID:6918030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "GR-32191-selinidin similarity", "source_label": "GR-32191", "target_label": "selinidin", "cosine_similarity": 0.3039719462394714 } }, { "source": "CID:40692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4449", "properties": { "id": "mefloquine-nefazodone similarity", "source_label": "mefloquine", "target_label": "nefazodone", "cosine_similarity": 0.4368880987167358 } }, { "source": "CID:7061041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "ethisterone-SA-424170 similarity", "source_label": "ethisterone", "target_label": "SA-424170", "cosine_similarity": 0.1802884638309478 } }, { "source": "CID:11364421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "BI-2536-XMD-1150 similarity", "source_label": "BI-2536", "target_label": "XMD-1150", "cosine_similarity": 0.7570263743400574 } }, { "source": "CID:15478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "digoxigenin-digitoxigenin similarity", "source_label": "digoxigenin", "target_label": "digitoxigenin", "cosine_similarity": 0.7022448778152466 } }, { "source": "CID:5912039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "huperzine-a-SA-423131 similarity", "source_label": "huperzine-a", "target_label": "SA-423131", "cosine_similarity": 0.2915571928024292 } }, { "source": "CID:44640177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5052", "properties": { "id": "KU-C104491-mepireserpate similarity", "source_label": "KU-C104491", "target_label": "mepireserpate", "cosine_similarity": 0.4013355076313019 } }, { "source": "CID:54657710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-1456508-SA-419090 similarity", "source_label": "SA-1456508", "target_label": "SA-419090", "cosine_similarity": 0.3108704686164856 } }, { "source": "CID:5585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155806", "properties": { "id": "trioxsalen-MMPX similarity", "source_label": "trioxsalen", "target_label": "MMPX", "cosine_similarity": 0.2987195253372192 } }, { "source": "CID:44507291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707390", "properties": { "id": "SA-247615-ON-01910 similarity", "source_label": "SA-247615", "target_label": "ON-01910", "cosine_similarity": 0.3304816484451294 } }, { "source": "CID:441140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3002120", "properties": { "id": "griseofulvin-sulbutiamine similarity", "source_label": "griseofulvin", "target_label": "sulbutiamine", "cosine_similarity": 0.5973040461540222 } }, { "source": "CID:11319053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "telcagepant-lorcaserin similarity", "source_label": "telcagepant", "target_label": "lorcaserin", "cosine_similarity": 0.410247653722763 } }, { "source": "CID:9908992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "RS-79948-GW-9508 similarity", "source_label": "RS-79948", "target_label": "GW-9508", "cosine_similarity": 0.2589227259159088 } }, { "source": "CID:4506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3385", "properties": { "id": "nitrazepam-fluorouracil similarity", "source_label": "nitrazepam", "target_label": "fluorouracil", "cosine_similarity": 0.1642885506153106 } }, { "source": "CID:3352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "fipronil-E-2012 similarity", "source_label": "fipronil", "target_label": "E-2012", "cosine_similarity": 0.358277827501297 } }, { "source": "CID:135999136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "AT-CSC-18-PLX-4720 similarity", "source_label": "AT-CSC-18", "target_label": "PLX-4720", "cosine_similarity": 0.381076455116272 } }, { "source": "CID:23874513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "asiaticoside-DAC-012 similarity", "source_label": "asiaticoside", "target_label": "DAC-012", "cosine_similarity": 0.2519392669200897 } }, { "source": "CID:2333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "benzbromarone-phenformin similarity", "source_label": "benzbromarone", "target_label": "phenformin", "cosine_similarity": 0.5139128565788269 } }, { "source": "CID:42601363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "MW-STK33-22-EMF-sumo1-6 similarity", "source_label": "MW-STK33-22", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.3002251982688904 } }, { "source": "CID:4543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "nortriptyline-T-98475 similarity", "source_label": "nortriptyline", "target_label": "T-98475", "cosine_similarity": 0.4357794225215912 } }, { "source": "CID:8593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123606", "properties": { "id": "cinchophen-almotriptan similarity", "source_label": "cinchophen", "target_label": "almotriptan", "cosine_similarity": 0.5619217157363892 } }, { "source": "CID:1329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978813", "properties": { "id": "DPCPX-brexpiprazole similarity", "source_label": "DPCPX", "target_label": "brexpiprazole", "cosine_similarity": 0.4384472966194153 } }, { "source": "CID:6634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9604993", "properties": { "id": "sulfachlorpyridazine-DMeOB similarity", "source_label": "sulfachlorpyridazine", "target_label": "DMeOB", "cosine_similarity": 0.2094629406929016 } }, { "source": "CID:441199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "cefoxitin-YK-4279 similarity", "source_label": "cefoxitin", "target_label": "YK-4279", "cosine_similarity": 0.2997960150241852 } }, { "source": "CID:688800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:689043", "properties": { "id": "ST-057710-caffeic-acid similarity", "source_label": "ST-057710", "target_label": "caffeic-acid", "cosine_similarity": 0.3286472260951996 } }, { "source": "CID:44507291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "SA-247615-tacedinaline similarity", "source_label": "SA-247615", "target_label": "tacedinaline", "cosine_similarity": 0.3368692696094513 } }, { "source": "CID:24964624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11626560", "properties": { "id": "MK-2206-crizotinib similarity", "source_label": "MK-2206", "target_label": "crizotinib", "cosine_similarity": 0.5287075638771057 } }, { "source": "CID:311434", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56599306", "properties": { "id": "PNU-120596-pilaralisib similarity", "source_label": "PNU-120596", "target_label": "pilaralisib", "cosine_similarity": 0.2689247727394104 } }, { "source": "CID:53472153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "PF-4800567-PK-11195 similarity", "source_label": "PF-4800567", "target_label": "PK-11195", "cosine_similarity": 0.2162824273109436 } }, { "source": "CID:24747180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3036703", "properties": { "id": "JAS07-010-zosuquidar similarity", "source_label": "JAS07-010", "target_label": "zosuquidar", "cosine_similarity": 0.2055658102035522 } }, { "source": "CID:5702199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107935", "properties": { "id": "antimycin-a-deguelin similarity", "source_label": "antimycin-a", "target_label": "deguelin", "cosine_similarity": 0.40687957406044 } }, { "source": "CID:4336830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SC-19220-BMS-191011 similarity", "source_label": "SC-19220", "target_label": "BMS-191011", "cosine_similarity": 0.2157555222511291 } }, { "source": "CID:11719255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "AVA-dienestrol similarity", "source_label": "AVA", "target_label": "dienestrol", "cosine_similarity": 0.2410662025213241 } }, { "source": "CID:25182616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "GSK-1838705A-imatinib similarity", "source_label": "GSK-1838705A", "target_label": "imatinib", "cosine_similarity": 0.3931059539318084 } }, { "source": "CID:2871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "coumophos-liranaftate similarity", "source_label": "coumophos", "target_label": "liranaftate", "cosine_similarity": 0.3347439467906952 } }, { "source": "CID:800654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "ARG-A1-22-MD-II-008-P similarity", "source_label": "ARG-A1-22", "target_label": "MD-II-008-P", "cosine_similarity": 0.3450846672058105 } }, { "source": "CID:439620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "oxalomalic-acid-sibutramine similarity", "source_label": "oxalomalic-acid", "target_label": "sibutramine", "cosine_similarity": 0.3110138475894928 } }, { "source": "CID:11612883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11719003", "properties": { "id": "PF-573228-BVD-523 similarity", "source_label": "PF-573228", "target_label": "BVD-523", "cosine_similarity": 0.3659020364284515 } }, { "source": "CID:5056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "resveratrol-GW-5074 similarity", "source_label": "resveratrol", "target_label": "GW-5074", "cosine_similarity": 0.4109122455120086 } }, { "source": "CID:996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2984", "properties": { "id": "phenol-denbufylline similarity", "source_label": "phenol", "target_label": "denbufylline", "cosine_similarity": 0.1632331907749176 } }, { "source": "CID:44616431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "SA-441145-erythrosine similarity", "source_label": "SA-441145", "target_label": "erythrosine", "cosine_similarity": 0.2784839570522308 } }, { "source": "CID:49842983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "SD-6-035-A2-beclometasone similarity", "source_label": "SD-6-035-A2", "target_label": "beclometasone", "cosine_similarity": 0.2875064015388489 } }, { "source": "CID:9549298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "IKK-16-trifluoperazine similarity", "source_label": "IKK-16", "target_label": "trifluoperazine", "cosine_similarity": 0.418643593788147 } }, { "source": "CID:5174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "SC-68376-PTB1 similarity", "source_label": "SC-68376", "target_label": "PTB1", "cosine_similarity": 0.2749072611331939 } }, { "source": "CID:44500663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-89763-SA-417716 similarity", "source_label": "SA-89763", "target_label": "SA-417716", "cosine_similarity": 0.3660882413387298 } }, { "source": "CID:2708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "chlorambucil-mitomycin-c similarity", "source_label": "chlorambucil", "target_label": "mitomycin-c", "cosine_similarity": 0.3689857423305511 } }, { "source": "CID:3272524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "NBQX-orciprenaline similarity", "source_label": "NBQX", "target_label": "orciprenaline", "cosine_similarity": 0.2422082722187042 } }, { "source": "CID:5593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "tropicamide-DAC-012 similarity", "source_label": "tropicamide", "target_label": "DAC-012", "cosine_similarity": 0.2663958966732025 } }, { "source": "CID:864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11570626", "properties": { "id": "thioctic-acid-MK-0893 similarity", "source_label": "thioctic-acid", "target_label": "MK-0893", "cosine_similarity": 0.3794292509555816 } }, { "source": "CID:3598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483329", "properties": { "id": "hexachlorophene-malonoben similarity", "source_label": "hexachlorophene", "target_label": "malonoben", "cosine_similarity": 0.6863824129104614 } }, { "source": "CID:872445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "oncrasin-1-vemurafenib similarity", "source_label": "oncrasin-1", "target_label": "vemurafenib", "cosine_similarity": 0.5920453071594238 } }, { "source": "CID:64945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11998575", "properties": { "id": "ursolic-acid-palomid-529 similarity", "source_label": "ursolic-acid", "target_label": "palomid-529", "cosine_similarity": 0.3959068357944488 } }, { "source": "CID:4621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2798", "properties": { "id": "oxetacaine-clofilium similarity", "source_label": "oxetacaine", "target_label": "clofilium", "cosine_similarity": 0.2097278237342834 } }, { "source": "CID:6604915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72551585", "properties": { "id": "OMDM-2-UNC-1999 similarity", "source_label": "OMDM-2", "target_label": "UNC-1999", "cosine_similarity": 0.2741703987121582 } }, { "source": "CID:60753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28693", "properties": { "id": "ibutilide-metergoline similarity", "source_label": "ibutilide", "target_label": "metergoline", "cosine_similarity": 0.2973230183124542 } }, { "source": "CID:44487898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-88642-SA-1463838 similarity", "source_label": "SA-88642", "target_label": "SA-1463838", "cosine_similarity": 0.2186803519725799 } }, { "source": "CID:3765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "isoguvacine-tirasemtiv similarity", "source_label": "isoguvacine", "target_label": "tirasemtiv", "cosine_similarity": 0.2642707228660583 } }, { "source": "CID:44494782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498994", "properties": { "id": "SA-96816-SA-96835 similarity", "source_label": "SA-96816", "target_label": "SA-96835", "cosine_similarity": 0.4246432781219482 } }, { "source": "CID:680501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "AMG-9810-VU-0418946-1 similarity", "source_label": "AMG-9810", "target_label": "VU-0418946-1", "cosine_similarity": 0.3175681233406067 } }, { "source": "CID:2752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330535", "properties": { "id": "cilnidipine-D-64406 similarity", "source_label": "cilnidipine", "target_label": "D-64406", "cosine_similarity": 0.2511323988437652 } }, { "source": "CID:73707613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "THZ-2-98-01-SB-216763 similarity", "source_label": "THZ-2-98-01", "target_label": "SB-216763", "cosine_similarity": 0.5314938426017761 } }, { "source": "CID:54616417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487597", "properties": { "id": "SA-424755-SA-440832 similarity", "source_label": "SA-424755", "target_label": "SA-440832", "cosine_similarity": 0.2974431216716766 } }, { "source": "CID:3365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "fluconazole-efavirenz similarity", "source_label": "fluconazole", "target_label": "efavirenz", "cosine_similarity": 0.3262889087200165 } }, { "source": "CID:70882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4507", "properties": { "id": "moxaverine-nitrendipine similarity", "source_label": "moxaverine", "target_label": "nitrendipine", "cosine_similarity": 0.2969028353691101 } }, { "source": "CID:275510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15548", "properties": { "id": "NSC-119889-laudanosine similarity", "source_label": "NSC-119889", "target_label": "laudanosine", "cosine_similarity": 0.2131502032279968 } }, { "source": "CID:9934458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3652", "properties": { "id": "GW-0742-hydroxychloroquine similarity", "source_label": "GW-0742", "target_label": "hydroxychloroquine", "cosine_similarity": 0.2365401834249496 } }, { "source": "CID:4197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "milrinone-pyrazinoylguanidine similarity", "source_label": "milrinone", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.4145069718360901 } }, { "source": "CID:51003694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "EMF-sumo1-39-CVF-SUMO-14 similarity", "source_label": "EMF-sumo1-39", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.8267195820808411 } }, { "source": "CID:54668627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "SA-1922659-wortmannin similarity", "source_label": "SA-1922659", "target_label": "wortmannin", "cosine_similarity": 0.3959191739559173 } }, { "source": "CID:4784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10311918", "properties": { "id": "PMSF-CTPB similarity", "source_label": "PMSF", "target_label": "CTPB", "cosine_similarity": 0.2700268924236297 } }, { "source": "CID:275510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747196", "properties": { "id": "NSC-119889-PSH-025 similarity", "source_label": "NSC-119889", "target_label": "PSH-025", "cosine_similarity": 0.2047945708036422 } }, { "source": "CID:10253795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "cefprozil-granisetron similarity", "source_label": "cefprozil", "target_label": "granisetron", "cosine_similarity": 0.3881841599941253 } }, { "source": "CID:3736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "iopromide-glutamine similarity", "source_label": "iopromide", "target_label": "glutamine", "cosine_similarity": 0.2054053395986557 } }, { "source": "CID:73707525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "COL-3-I-505056 similarity", "source_label": "COL-3", "target_label": "I-505056", "cosine_similarity": 0.5917448401451111 } }, { "source": "CID:16126898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "VTP-27999-actarit similarity", "source_label": "VTP-27999", "target_label": "actarit", "cosine_similarity": 0.3734748065471649 } }, { "source": "CID:4595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "ondansetron-levosulpiride similarity", "source_label": "ondansetron", "target_label": "levosulpiride", "cosine_similarity": 0.3343348503112793 } }, { "source": "CID:9931954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "rucaparib-JNJ-7706621 similarity", "source_label": "rucaparib", "target_label": "JNJ-7706621", "cosine_similarity": 0.5528983473777771 } }, { "source": "CID:2182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "anagrelide-orciprenaline similarity", "source_label": "anagrelide", "target_label": "orciprenaline", "cosine_similarity": 0.4001597166061401 } }, { "source": "CID:5639", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "urapidil-risperidone similarity", "source_label": "urapidil", "target_label": "risperidone", "cosine_similarity": 0.3558323979377746 } }, { "source": "CID:16747776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "CHEMBL-399379-Ro-28-1675 similarity", "source_label": "CHEMBL-399379", "target_label": "Ro-28-1675", "cosine_similarity": 0.4926615059375763 } }, { "source": "CID:127894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "LY-215490-taranabant similarity", "source_label": "LY-215490", "target_label": "taranabant", "cosine_similarity": 0.6217954754829407 } }, { "source": "CID:3475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "gliclazide-L-ergothioneine similarity", "source_label": "gliclazide", "target_label": "L-ergothioneine", "cosine_similarity": 0.8392947912216187 } }, { "source": "CID:9821459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "J-104129-thiazolopyrimidine similarity", "source_label": "J-104129", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2622866034507751 } }, { "source": "CID:4775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "phenylbutyrate-naftidrofuryl similarity", "source_label": "phenylbutyrate", "target_label": "naftidrofuryl", "cosine_similarity": 0.4918825924396515 } }, { "source": "CID:681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "dopamine-tolnaftate similarity", "source_label": "dopamine", "target_label": "tolnaftate", "cosine_similarity": 0.3067665994167328 } }, { "source": "CID:688798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ST-059620-Gossypetin similarity", "source_label": "ST-059620", "target_label": "Gossypetin", "cosine_similarity": 0.6936711072921753 } }, { "source": "CID:60190226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-1925996-SA-1921816 similarity", "source_label": "SA-1925996", "target_label": "SA-1921816", "cosine_similarity": 0.3563419878482818 } }, { "source": "CID:1048845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "TCS-359-dubinidine similarity", "source_label": "TCS-359", "target_label": "dubinidine", "cosine_similarity": 0.3647684156894684 } }, { "source": "CID:54658498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-1459167-SA-427604 similarity", "source_label": "SA-1459167", "target_label": "SA-427604", "cosine_similarity": 0.352881520986557 } }, { "source": "CID:2833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "colchicine-parbendazole similarity", "source_label": "colchicine", "target_label": "parbendazole", "cosine_similarity": 0.817772626876831 } }, { "source": "CID:237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "mepacrine-mitoxantrone similarity", "source_label": "mepacrine", "target_label": "mitoxantrone", "cosine_similarity": 0.4114863574504852 } }, { "source": "CID:1853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "phenanthridone-FTI-276 similarity", "source_label": "phenanthridone", "target_label": "FTI-276", "cosine_similarity": 0.3727654814720154 } }, { "source": "CID:6610261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "L-744832-EMF-sumo1-39 similarity", "source_label": "L-744832", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.2263993322849273 } }, { "source": "CID:54667575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "SA-1921599-lasalocid similarity", "source_label": "SA-1921599", "target_label": "lasalocid", "cosine_similarity": 0.3701557517051697 } }, { "source": "CID:53347979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "BG-STK33-03-MW-STK33-100 similarity", "source_label": "BG-STK33-03", "target_label": "MW-STK33-100", "cosine_similarity": 0.861095666885376 } }, { "source": "CID:5719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "zaleplon-saxagliptin similarity", "source_label": "zaleplon", "target_label": "saxagliptin", "cosine_similarity": 0.3691012859344482 } }, { "source": "CID:12799467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "piperacillin-KU-C104140 similarity", "source_label": "piperacillin", "target_label": "KU-C104140", "cosine_similarity": 0.3635313212871551 } }, { "source": "CID:4112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "methotrexate-gemcitabine similarity", "source_label": "methotrexate", "target_label": "gemcitabine", "cosine_similarity": 0.5351743698120117 } }, { "source": "CID:11338033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1830", "properties": { "id": "AT-7519-5-iodotubercidin similarity", "source_label": "AT-7519", "target_label": "5-iodotubercidin", "cosine_similarity": 0.6583371162414551 } }, { "source": "CID:443007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3941250", "properties": { "id": "fillalbin-nitrocaramiphen similarity", "source_label": "fillalbin", "target_label": "nitrocaramiphen", "cosine_similarity": 0.3234062194824219 } }, { "source": "CID:14403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "aflatoxin-b1-amsacrine similarity", "source_label": "aflatoxin-b1", "target_label": "amsacrine", "cosine_similarity": 0.4541970789432525 } }, { "source": "CID:46238405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:193949", "properties": { "id": "RAN-29-SDZ-21009 similarity", "source_label": "RAN-29", "target_label": "SDZ-21009", "cosine_similarity": 0.2758037149906158 } }, { "source": "CID:135886612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "DAC-003-dubinidine similarity", "source_label": "DAC-003", "target_label": "dubinidine", "cosine_similarity": 0.4214152693748474 } }, { "source": "CID:67475270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "LY-3000328-finasteride similarity", "source_label": "LY-3000328", "target_label": "finasteride", "cosine_similarity": 0.2138701230287552 } }, { "source": "CID:51003695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "CVF-SUMO-7-CVF-SUMO-11 similarity", "source_label": "CVF-SUMO-7", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.7844336628913879 } }, { "source": "CID:4375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "FG-7142-NU-1025 similarity", "source_label": "FG-7142", "target_label": "NU-1025", "cosine_similarity": 0.3175792098045349 } }, { "source": "CID:123630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "tazobactam-sparfloxacin similarity", "source_label": "tazobactam", "target_label": "sparfloxacin", "cosine_similarity": 0.5377451777458191 } }, { "source": "CID:44483329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "malonoben-tyrphostin-A9 similarity", "source_label": "malonoben", "target_label": "tyrphostin-A9", "cosine_similarity": 0.6480516195297241 } }, { "source": "CID:16739244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "lersivirine-taranabant similarity", "source_label": "lersivirine", "target_label": "taranabant", "cosine_similarity": 0.4858745634555816 } }, { "source": "CID:11560787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10783", "properties": { "id": "E-2012-clomethiazole similarity", "source_label": "E-2012", "target_label": "clomethiazole", "cosine_similarity": 0.3984929323196411 } }, { "source": "CID:11691726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "balapiravir-emedastine similarity", "source_label": "balapiravir", "target_label": "emedastine", "cosine_similarity": 0.4506067931652069 } }, { "source": "CID:2540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "candesartan-cilextil-methyl-fasudil similarity", "source_label": "candesartan-cilextil", "target_label": "methyl-fasudil", "cosine_similarity": 0.2555679380893707 } }, { "source": "CID:108107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3341", "properties": { "id": "benzamil-fenoldopam similarity", "source_label": "benzamil", "target_label": "fenoldopam", "cosine_similarity": 0.3000160157680511 } }, { "source": "CID:71317558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "niguldipine-RS-17053 similarity", "source_label": "niguldipine", "target_label": "RS-17053", "cosine_similarity": 0.6207589507102966 } }, { "source": "CID:5533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "trazodone-fexofenadine similarity", "source_label": "trazodone", "target_label": "fexofenadine", "cosine_similarity": 0.4203540980815887 } }, { "source": "CID:24871506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11984561", "properties": { "id": "RVX-208-TH-302 similarity", "source_label": "RVX-208", "target_label": "TH-302", "cosine_similarity": 0.2884121835231781 } }, { "source": "CID:4583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "ofloxacin-dienestrol similarity", "source_label": "ofloxacin", "target_label": "dienestrol", "cosine_similarity": 0.4826051890850067 } }, { "source": "CID:6918537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4679", "properties": { "id": "vildagliptin-pantoprazole similarity", "source_label": "vildagliptin", "target_label": "pantoprazole", "cosine_similarity": 0.2640165984630584 } }, { "source": "CID:38521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "guanadrel-pravastatin similarity", "source_label": "guanadrel", "target_label": "pravastatin", "cosine_similarity": 0.4249483346939087 } }, { "source": "CID:439503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "salicin-SAR-245408 similarity", "source_label": "salicin", "target_label": "SAR-245408", "cosine_similarity": 0.2985506653785705 } }, { "source": "CID:10126189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "YM-155-STK-397047 similarity", "source_label": "YM-155", "target_label": "STK-397047", "cosine_similarity": 0.4858461022377014 } }, { "source": "CID:2820118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "KM-03439-PSH-003 similarity", "source_label": "KM-03439", "target_label": "PSH-003", "cosine_similarity": 0.2369179874658584 } }, { "source": "CID:135413536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "aprepitant-fluconazole similarity", "source_label": "aprepitant", "target_label": "fluconazole", "cosine_similarity": 0.2075979709625244 } }, { "source": "CID:9927531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760312", "properties": { "id": "BIBR-1532-inhibitor-BEC similarity", "source_label": "BIBR-1532", "target_label": "inhibitor-BEC", "cosine_similarity": 0.3634794950485229 } }, { "source": "CID:5318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "sulconazole-terfenadine similarity", "source_label": "sulconazole", "target_label": "terfenadine", "cosine_similarity": 0.5003885626792908 } }, { "source": "CID:650361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "ASN-05257430-fumonisin-b1 similarity", "source_label": "ASN-05257430", "target_label": "fumonisin-b1", "cosine_similarity": 0.6114124655723572 } }, { "source": "CID:46215462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "R-428-sertraline similarity", "source_label": "R-428", "target_label": "sertraline", "cosine_similarity": 0.5106695294380188 } }, { "source": "CID:9826528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "PD-0325901-AZD-8330 similarity", "source_label": "PD-0325901", "target_label": "AZD-8330", "cosine_similarity": 0.9115347266197203 } }, { "source": "CID:5311221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4583", "properties": { "id": "latanoprost-ofloxacin similarity", "source_label": "latanoprost", "target_label": "ofloxacin", "cosine_similarity": 0.476704478263855 } }, { "source": "CID:71277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "erythromycin-estolate-U-18666A similarity", "source_label": "erythromycin-estolate", "target_label": "U-18666A", "cosine_similarity": 0.5043303370475769 } }, { "source": "CID:1092458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "DAC-013-DAC-012 similarity", "source_label": "DAC-013", "target_label": "DAC-012", "cosine_similarity": 0.5501575469970703 } }, { "source": "CID:4059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12625909", "properties": { "id": "mephenesin-cloxacillin similarity", "source_label": "mephenesin", "target_label": "cloxacillin", "cosine_similarity": 0.2774438560009002 } }, { "source": "CID:6708518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71781", "properties": { "id": "ambelline-MDL-11939 similarity", "source_label": "ambelline", "target_label": "MDL-11939", "cosine_similarity": 0.2611055374145508 } }, { "source": "CID:135398737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "clozapine-cefepime similarity", "source_label": "clozapine", "target_label": "cefepime", "cosine_similarity": 0.4521605968475342 } }, { "source": "CID:54659308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1457169-SA-1459714 similarity", "source_label": "SA-1457169", "target_label": "SA-1459714", "cosine_similarity": 0.3282711505889892 } }, { "source": "CID:4037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "meclofenamic-acid-dexloxiglumide similarity", "source_label": "meclofenamic-acid", "target_label": "dexloxiglumide", "cosine_similarity": 0.7712886333465576 } }, { "source": "CID:54655704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:353825", "properties": { "id": "SA-1462738-graveoline similarity", "source_label": "SA-1462738", "target_label": "graveoline", "cosine_similarity": 0.251710444688797 } }, { "source": "CID:27806705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "oxymetholone-SA-792709 similarity", "source_label": "oxymetholone", "target_label": "SA-792709", "cosine_similarity": 0.3796001672744751 } }, { "source": "CID:1043828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44241483", "properties": { "id": "ST-4066738-VU-0403126 similarity", "source_label": "ST-4066738", "target_label": "VU-0403126", "cosine_similarity": 0.1780309677124023 } }, { "source": "CID:172813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "Gly-Gly-PALO-NSC-23766 similarity", "source_label": "Gly-Gly-PALO", "target_label": "NSC-23766", "cosine_similarity": 0.5374864339828491 } }, { "source": "CID:45934210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51360697", "properties": { "id": "solifenacin-KUC107191N similarity", "source_label": "solifenacin", "target_label": "KUC107191N", "cosine_similarity": 0.2739089727401733 } }, { "source": "CID:1549000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "levocetirizine-balicatib similarity", "source_label": "levocetirizine", "target_label": "balicatib", "cosine_similarity": 0.4769777059555053 } }, { "source": "CID:5221450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1853", "properties": { "id": "BML-286-phenanthridone similarity", "source_label": "BML-286", "target_label": "phenanthridone", "cosine_similarity": 0.2187989354133606 } }, { "source": "CID:45115609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3306", "properties": { "id": "VU-0414833-2-etilefrine similarity", "source_label": "VU-0414833-2", "target_label": "etilefrine", "cosine_similarity": 0.2414963692426681 } }, { "source": "CID:70680411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3276", "properties": { "id": "AT1-SHH-29-etanidazole similarity", "source_label": "AT1-SHH-29", "target_label": "etanidazole", "cosine_similarity": 0.266865998506546 } }, { "source": "CID:3539719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15604015", "properties": { "id": "3-methyl-GABA-ABC-294640 similarity", "source_label": "3-methyl-GABA", "target_label": "ABC-294640", "cosine_similarity": 0.2884369790554046 } }, { "source": "CID:54657738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "SA-1458487-imiloxan similarity", "source_label": "SA-1458487", "target_label": "imiloxan", "cosine_similarity": 0.2950073778629303 } }, { "source": "CID:3344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "fenspiride-SA-84905 similarity", "source_label": "fenspiride", "target_label": "SA-84905", "cosine_similarity": 0.2425109148025512 } }, { "source": "CID:72201027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "SGC-CBP30-bromosporine similarity", "source_label": "SGC-CBP30", "target_label": "bromosporine", "cosine_similarity": 0.3495895862579345 } }, { "source": "CID:2948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "damnacanthal-GW-9508 similarity", "source_label": "damnacanthal", "target_label": "GW-9508", "cosine_similarity": 0.3234662115573883 } }, { "source": "CID:3478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "glipizide-dienestrol similarity", "source_label": "glipizide", "target_label": "dienestrol", "cosine_similarity": 0.4652542173862457 } }, { "source": "CID:92786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "eltanolone-palmatine-chloride similarity", "source_label": "eltanolone", "target_label": "palmatine-chloride", "cosine_similarity": 0.4764126241207123 } }, { "source": "CID:54666590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-1922959-SA-441181 similarity", "source_label": "SA-1922959", "target_label": "SA-441181", "cosine_similarity": 0.3301905393600464 } }, { "source": "CID:132862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6915744", "properties": { "id": "targinine-roxithromycin similarity", "source_label": "targinine", "target_label": "roxithromycin", "cosine_similarity": 0.3800946474075317 } }, { "source": "CID:6293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803433", "properties": { "id": "alizarin-MK-0752 similarity", "source_label": "alizarin", "target_label": "MK-0752", "cosine_similarity": 0.2258019745349884 } }, { "source": "CID:1560402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "SMER-28-PLX-4720 similarity", "source_label": "SMER-28", "target_label": "PLX-4720", "cosine_similarity": 0.397637665271759 } }, { "source": "CID:54615594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2562", "properties": { "id": "SA-427730-pentoxyverine similarity", "source_label": "SA-427730", "target_label": "pentoxyverine", "cosine_similarity": 0.2507187128067016 } }, { "source": "CID:65781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "ecabet-S-18986 similarity", "source_label": "ecabet", "target_label": "S-18986", "cosine_similarity": 0.4382337629795074 } }, { "source": "CID:11292191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107967", "properties": { "id": "AZD-1981-FK-888 similarity", "source_label": "AZD-1981", "target_label": "FK-888", "cosine_similarity": 0.2987614572048187 } }, { "source": "CID:638034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6450278", "properties": { "id": "retinyl-GR-235 similarity", "source_label": "retinyl", "target_label": "GR-235", "cosine_similarity": 0.2307368218898773 } }, { "source": "CID:5052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "mepireserpate-amikacin similarity", "source_label": "mepireserpate", "target_label": "amikacin", "cosine_similarity": 0.5570922493934631 } }, { "source": "CID:3682562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1001-BML-210 similarity", "source_label": "BG-1001", "target_label": "BML-210", "cosine_similarity": 0.2865245640277862 } }, { "source": "CID:119376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "GR-113808-UB-165 similarity", "source_label": "GR-113808", "target_label": "UB-165", "cosine_similarity": 0.4128028452396393 } }, { "source": "CID:59239165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "GDC-0349-AZD-8055 similarity", "source_label": "GDC-0349", "target_label": "AZD-8055", "cosine_similarity": 0.7993642687797546 } }, { "source": "CID:3230028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25099184", "properties": { "id": "KU-C104139-AZ-960 similarity", "source_label": "KU-C104139", "target_label": "AZ-960", "cosine_similarity": 0.210661381483078 } }, { "source": "CID:2333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "benzbromarone-setiptiline similarity", "source_label": "benzbromarone", "target_label": "setiptiline", "cosine_similarity": 0.5262030363082886 } }, { "source": "CID:2724354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "dimercaptosuccinic-acid-amikacin similarity", "source_label": "dimercaptosuccinic-acid", "target_label": "amikacin", "cosine_similarity": 0.358281672000885 } }, { "source": "CID:130881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "olmesartan-medoxomil-marbofloxacin similarity", "source_label": "olmesartan-medoxomil", "target_label": "marbofloxacin", "cosine_similarity": 0.4205933511257171 } }, { "source": "CID:39836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10096344", "properties": { "id": "L-NAME-linagliptin similarity", "source_label": "L-NAME", "target_label": "linagliptin", "cosine_similarity": 0.3601754307746887 } }, { "source": "CID:130313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "sulbactam-cabergoline similarity", "source_label": "sulbactam", "target_label": "cabergoline", "cosine_similarity": 0.2941146194934845 } }, { "source": "CID:6280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2763", "properties": { "id": "veratridine-ciprofibrate similarity", "source_label": "veratridine", "target_label": "ciprofibrate", "cosine_similarity": 0.2349941432476043 } }, { "source": "CID:65626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "dimesna-aminoguanidine similarity", "source_label": "dimesna", "target_label": "aminoguanidine", "cosine_similarity": 0.4366704821586609 } }, { "source": "CID:49849912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "CAM-9-027-3-BIBU-1361 similarity", "source_label": "CAM-9-027-3", "target_label": "BIBU-1361", "cosine_similarity": 0.6266246438026428 } }, { "source": "CID:60838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "irinotecan-topotecan similarity", "source_label": "irinotecan", "target_label": "topotecan", "cosine_similarity": 0.7331733703613281 } }, { "source": "CID:441276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "paclitaxel-KX-2391 similarity", "source_label": "paclitaxel", "target_label": "KX-2391", "cosine_similarity": 0.9003210663795471 } }, { "source": "CID:6610267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "EI-231-roscovitine similarity", "source_label": "EI-231", "target_label": "roscovitine", "cosine_similarity": 0.4168029427528381 } }, { "source": "CID:54657607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856313", "properties": { "id": "SA-1459234-FU-JMBII127B similarity", "source_label": "SA-1459234", "target_label": "FU-JMBII127B", "cosine_similarity": 0.1903286576271057 } }, { "source": "CID:5353593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11644425", "properties": { "id": "DMBI-CGP-57380 similarity", "source_label": "DMBI", "target_label": "CGP-57380", "cosine_similarity": 0.2845740914344787 } }, { "source": "CID:9887884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "DMP-543-fluvoxamine similarity", "source_label": "DMP-543", "target_label": "fluvoxamine", "cosine_similarity": 0.2429076880216598 } }, { "source": "CID:216454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "L-778123-deforolimus similarity", "source_label": "L-778123", "target_label": "deforolimus", "cosine_similarity": 0.3336085379123688 } }, { "source": "CID:73707530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "QL-X-138-emetine similarity", "source_label": "QL-X-138", "target_label": "emetine", "cosine_similarity": 0.6168825626373291 } }, { "source": "CID:24905203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9902311", "properties": { "id": "PP-110-TGX-115 similarity", "source_label": "PP-110", "target_label": "TGX-115", "cosine_similarity": 0.6614441871643066 } }, { "source": "CID:4091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "metformin-sodium-gualenate similarity", "source_label": "metformin", "target_label": "sodium-gualenate", "cosine_similarity": 0.4509517252445221 } }, { "source": "CID:58258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "rufloxacin-RK-682 similarity", "source_label": "rufloxacin", "target_label": "RK-682", "cosine_similarity": 0.1971365213394165 } }, { "source": "CID:4915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2187", "properties": { "id": "procarbazine-anastrozole similarity", "source_label": "procarbazine", "target_label": "anastrozole", "cosine_similarity": 0.2622869908809662 } }, { "source": "CID:25171648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561383", "properties": { "id": "EMD-1214063-nesbuvir similarity", "source_label": "EMD-1214063", "target_label": "nesbuvir", "cosine_similarity": 0.3867885172367096 } }, { "source": "CID:9934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "timonacic-aspirin similarity", "source_label": "timonacic", "target_label": "aspirin", "cosine_similarity": 0.3219112753868103 } }, { "source": "CID:17756796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "BIBU-1361-thioridazine similarity", "source_label": "BIBU-1361", "target_label": "thioridazine", "cosine_similarity": 0.6657078266143799 } }, { "source": "CID:53276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "flupirtine-cinoxacin similarity", "source_label": "flupirtine", "target_label": "cinoxacin", "cosine_similarity": 0.2516121566295624 } }, { "source": "CID:4381125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "K784-3131-KU-C104337 similarity", "source_label": "K784-3131", "target_label": "KU-C104337", "cosine_similarity": 0.7567960619926453 } }, { "source": "CID:54616417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658692", "properties": { "id": "SA-424755-SA-1458163 similarity", "source_label": "SA-424755", "target_label": "SA-1458163", "cosine_similarity": 0.3007877171039581 } }, { "source": "CID:24901704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16659841", "properties": { "id": "MGCD-265-AZD-1480 similarity", "source_label": "MGCD-265", "target_label": "AZD-1480", "cosine_similarity": 0.294945627450943 } }, { "source": "CID:5625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107838", "properties": { "id": "delavirdine-noreleagnine similarity", "source_label": "delavirdine", "target_label": "noreleagnine", "cosine_similarity": 0.1324412673711776 } }, { "source": "CID:6710772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "lysylphenylalanyl-tyrosine-AR-C133057XX similarity", "source_label": "lysylphenylalanyl-tyrosine", "target_label": "AR-C133057XX", "cosine_similarity": 0.2826594412326813 } }, { "source": "CID:123686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "ICI-89406-ajmaline similarity", "source_label": "ICI-89406", "target_label": "ajmaline", "cosine_similarity": 0.2572336494922638 } }, { "source": "CID:54766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47472", "properties": { "id": "bambuterol-butoconazole similarity", "source_label": "bambuterol", "target_label": "butoconazole", "cosine_similarity": 0.3762535154819488 } }, { "source": "CID:9727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44721090", "properties": { "id": "methyltyramine-methoxypyruvic-acid similarity", "source_label": "methyltyramine", "target_label": "methoxypyruvic-acid", "cosine_similarity": 0.1913869231939315 } }, { "source": "CID:6453092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "isorotenone-salermide similarity", "source_label": "isorotenone", "target_label": "salermide", "cosine_similarity": 0.2852616906166076 } }, { "source": "CID:5070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "riluzole-zebularine similarity", "source_label": "riluzole", "target_label": "zebularine", "cosine_similarity": 0.4064597189426422 } }, { "source": "CID:4342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25161177", "properties": { "id": "acecainide-MLN-2480 similarity", "source_label": "acecainide", "target_label": "MLN-2480", "cosine_similarity": 0.3292637169361114 } }, { "source": "CID:5318562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329099", "properties": { "id": "isoeugenol-orantinib similarity", "source_label": "isoeugenol", "target_label": "orantinib", "cosine_similarity": 0.2233038395643234 } }, { "source": "CID:16043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "tert-butylhydroquinone-phenethyl-isothiocyanate similarity", "source_label": "tert-butylhydroquinone", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.3164193332195282 } }, { "source": "CID:4167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39836", "properties": { "id": "metixene-L-NAME similarity", "source_label": "metixene", "target_label": "L-NAME", "cosine_similarity": 0.4829826056957245 } }, { "source": "CID:23891056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "I-606051-I-505056 similarity", "source_label": "I-606051", "target_label": "I-505056", "cosine_similarity": 0.7208024859428406 } }, { "source": "CID:9871074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46218908", "properties": { "id": "talmapimod-ONX-0914 similarity", "source_label": "talmapimod", "target_label": "ONX-0914", "cosine_similarity": 0.3704262375831604 } }, { "source": "CID:574780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038485", "properties": { "id": "BD-1063-AZD-6765 similarity", "source_label": "BD-1063", "target_label": "AZD-6765", "cosine_similarity": 0.2822389304637909 } }, { "source": "CID:11319053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "telcagepant-alizapride similarity", "source_label": "telcagepant", "target_label": "alizapride", "cosine_similarity": 0.3658450245857239 } }, { "source": "CID:34870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "amineptine-LY-215490 similarity", "source_label": "amineptine", "target_label": "LY-215490", "cosine_similarity": 0.4530632793903351 } }, { "source": "CID:25295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "chloropyramine-SA-96816 similarity", "source_label": "chloropyramine", "target_label": "SA-96816", "cosine_similarity": 0.2254691421985626 } }, { "source": "CID:70680401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "MW-SHH-250-gossypin similarity", "source_label": "MW-SHH-250", "target_label": "gossypin", "cosine_similarity": 0.2860239446163177 } }, { "source": "CID:10253143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "GW-842166-travoprost similarity", "source_label": "GW-842166", "target_label": "travoprost", "cosine_similarity": 0.3746183514595032 } }, { "source": "CID:36462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "etoposide-irinotecan similarity", "source_label": "etoposide", "target_label": "irinotecan", "cosine_similarity": 0.663808286190033 } }, { "source": "CID:6918638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "belinostat-vorinostat similarity", "source_label": "belinostat", "target_label": "vorinostat", "cosine_similarity": 0.840810239315033 } }, { "source": "CID:3011155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702063", "properties": { "id": "nelarabine-guanaben-acetate similarity", "source_label": "nelarabine", "target_label": "guanaben-acetate", "cosine_similarity": 0.3174814283847809 } }, { "source": "CID:3730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446596", "properties": { "id": "iohexol-mupirocin similarity", "source_label": "iohexol", "target_label": "mupirocin", "cosine_similarity": 0.2138510197401046 } }, { "source": "CID:73707428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "carbetocin-GSK-429286A similarity", "source_label": "carbetocin", "target_label": "GSK-429286A", "cosine_similarity": 0.3098447620868683 } }, { "source": "CID:56655374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17755052", "properties": { "id": "HG-14-10-04-GDC-0941 similarity", "source_label": "HG-14-10-04", "target_label": "GDC-0941", "cosine_similarity": 0.4150727391242981 } }, { "source": "CID:4908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "primaquine-sumatriptan similarity", "source_label": "primaquine", "target_label": "sumatriptan", "cosine_similarity": 0.4876437187194824 } }, { "source": "CID:11507802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "LY-2183240-parbendazole similarity", "source_label": "LY-2183240", "target_label": "parbendazole", "cosine_similarity": 0.6375510096549988 } }, { "source": "CID:5394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "temozolomide-CGS-21680 similarity", "source_label": "temozolomide", "target_label": "CGS-21680", "cosine_similarity": 0.5065031051635742 } }, { "source": "CID:132449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "L-690330-zidovudine similarity", "source_label": "L-690330", "target_label": "zidovudine", "cosine_similarity": 0.4272798001766205 } }, { "source": "CID:6610281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "lithium-chloride-2-iminobiotin similarity", "source_label": "lithium-chloride", "target_label": "2-iminobiotin", "cosine_similarity": 0.4150925278663635 } }, { "source": "CID:73707382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "myriocin-zebularine similarity", "source_label": "myriocin", "target_label": "zebularine", "cosine_similarity": 0.5304328799247742 } }, { "source": "CID:2554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "carbamazepine-BMS-191011 similarity", "source_label": "carbamazepine", "target_label": "BMS-191011", "cosine_similarity": 0.5550845861434937 } }, { "source": "CID:5503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "tolazamide-FTI-276 similarity", "source_label": "tolazamide", "target_label": "FTI-276", "cosine_similarity": 0.436988353729248 } }, { "source": "CID:3540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "H-8-DL-TBOA similarity", "source_label": "H-8", "target_label": "DL-TBOA", "cosine_similarity": 0.3024911880493164 } }, { "source": "CID:44618017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-427137-SA-1937536 similarity", "source_label": "SA-427137", "target_label": "SA-1937536", "cosine_similarity": 0.2268489748239517 } }, { "source": "CID:5289501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "TTNPB-labetalol similarity", "source_label": "TTNPB", "target_label": "labetalol", "cosine_similarity": 0.3309860229492187 } }, { "source": "CID:124202168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "HG-9-91-01-UNC-1215 similarity", "source_label": "HG-9-91-01", "target_label": "UNC-1215", "cosine_similarity": 0.3401947617530823 } }, { "source": "CID:123662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1258678", "properties": { "id": "beta-CCP-ST-014075 similarity", "source_label": "beta-CCP", "target_label": "ST-014075", "cosine_similarity": 0.2310080826282501 } }, { "source": "CID:24113957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "H-9-BMS-345541 similarity", "source_label": "H-9", "target_label": "BMS-345541", "cosine_similarity": 0.476199209690094 } }, { "source": "CID:2921148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "BRL-50481-Y-27632 similarity", "source_label": "BRL-50481", "target_label": "Y-27632", "cosine_similarity": 0.3349041640758514 } }, { "source": "CID:54657732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657730", "properties": { "id": "SA-1458985-SA-1458450 similarity", "source_label": "SA-1458985", "target_label": "SA-1458450", "cosine_similarity": 0.3429918587207794 } }, { "source": "CID:6334600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "hyoscyamine-fumonisin-b1 similarity", "source_label": "hyoscyamine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2970858216285705 } }, { "source": "CID:4904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "pridinol-amidopyrine similarity", "source_label": "pridinol", "target_label": "amidopyrine", "cosine_similarity": 0.6264120936393738 } }, { "source": "CID:6610303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9592990", "properties": { "id": "U-74389F-BAS-00535043 similarity", "source_label": "U-74389F", "target_label": "BAS-00535043", "cosine_similarity": 0.234469324350357 } }, { "source": "CID:135419190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "AG-879-tyrphostin-A9 similarity", "source_label": "AG-879", "target_label": "tyrphostin-A9", "cosine_similarity": 0.685223400592804 } }, { "source": "CID:6473883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "dirithromycin-FTI-276 similarity", "source_label": "dirithromycin", "target_label": "FTI-276", "cosine_similarity": 0.2119895219802856 } }, { "source": "CID:755405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "ST-056792-EMF-sumo1-39 similarity", "source_label": "ST-056792", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.725565493106842 } }, { "source": "CID:10370504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6675804", "properties": { "id": "UK-356618-tubacin similarity", "source_label": "UK-356618", "target_label": "tubacin", "cosine_similarity": 0.329463392496109 } }, { "source": "CID:1345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "PK-11195-gemifloxacin similarity", "source_label": "PK-11195", "target_label": "gemifloxacin", "cosine_similarity": 0.4251900315284729 } }, { "source": "CID:54660081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "SA-1456859-SA-441092 similarity", "source_label": "SA-1456859", "target_label": "SA-441092", "cosine_similarity": 0.2958413362503052 } }, { "source": "CID:3715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "indometacin-venlafaxine similarity", "source_label": "indometacin", "target_label": "venlafaxine", "cosine_similarity": 0.3752577304840088 } }, { "source": "CID:23846563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708762", "properties": { "id": "helveticoside-periplocymarin similarity", "source_label": "helveticoside", "target_label": "periplocymarin", "cosine_similarity": 0.8068142533302307 } }, { "source": "CID:392622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121891", "properties": { "id": "ritonavir-mitiglinide similarity", "source_label": "ritonavir", "target_label": "mitiglinide", "cosine_similarity": 0.4137940108776092 } }, { "source": "CID:1889993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "fatostatin-BMS-641988 similarity", "source_label": "fatostatin", "target_label": "BMS-641988", "cosine_similarity": 0.5314121246337891 } }, { "source": "CID:44093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "captopril-Gly-Gly-PALO similarity", "source_label": "captopril", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2229344844818115 } }, { "source": "CID:5966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "demecarium-raloxifene similarity", "source_label": "demecarium", "target_label": "raloxifene", "cosine_similarity": 0.1618048548698425 } }, { "source": "CID:9907093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16725726", "properties": { "id": "TGX-221-GSK-690693 similarity", "source_label": "TGX-221", "target_label": "GSK-690693", "cosine_similarity": 0.322779893875122 } }, { "source": "CID:6280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "veratridine-meropenem similarity", "source_label": "veratridine", "target_label": "meropenem", "cosine_similarity": 0.2344989627599716 } }, { "source": "CID:6839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "phensuximide-rotundine similarity", "source_label": "phensuximide", "target_label": "rotundine", "cosine_similarity": 0.4989885687828064 } }, { "source": "CID:5282226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "travoprost-imiloxan similarity", "source_label": "travoprost", "target_label": "imiloxan", "cosine_similarity": 0.5316446423530579 } }, { "source": "CID:36811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603820", "properties": { "id": "dobutamine-dihydrexidine similarity", "source_label": "dobutamine", "target_label": "dihydrexidine", "cosine_similarity": 0.2193293869495391 } }, { "source": "CID:3604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6032", "properties": { "id": "hexamethonium-kanamycin similarity", "source_label": "hexamethonium", "target_label": "kanamycin", "cosine_similarity": 0.1969867944717407 } }, { "source": "CID:22416251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "KU-C103882-CVF-SUMO-11 similarity", "source_label": "KU-C103882", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.2677826285362243 } }, { "source": "CID:23919058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2732", "properties": { "id": "tyrphostin-B44-chlortalidone similarity", "source_label": "tyrphostin-B44", "target_label": "chlortalidone", "cosine_similarity": 0.275750994682312 } }, { "source": "CID:126688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "amthamine-triprolidine similarity", "source_label": "amthamine", "target_label": "triprolidine", "cosine_similarity": 0.3101126253604889 } }, { "source": "CID:4817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "pifithrin-alpha-ASN-05257430 similarity", "source_label": "pifithrin-alpha", "target_label": "ASN-05257430", "cosine_similarity": 0.4646170735359192 } }, { "source": "CID:12478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657237", "properties": { "id": "trimetozine-fludarabine similarity", "source_label": "trimetozine", "target_label": "fludarabine", "cosine_similarity": 0.2741312980651855 } }, { "source": "CID:135882970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135787369", "properties": { "id": "BG-1019-BG-1020 similarity", "source_label": "BG-1019", "target_label": "BG-1020", "cosine_similarity": 0.2490181773900985 } }, { "source": "CID:53232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24775005", "properties": { "id": "lovastatin-sonidegib similarity", "source_label": "lovastatin", "target_label": "sonidegib", "cosine_similarity": 0.4501039981842041 } }, { "source": "CID:5665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "vigabatrin-nevirapine similarity", "source_label": "vigabatrin", "target_label": "nevirapine", "cosine_similarity": 0.1892699003219604 } }, { "source": "CID:3392731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "GW-7647-herniarin similarity", "source_label": "GW-7647", "target_label": "herniarin", "cosine_similarity": 0.271576851606369 } }, { "source": "CID:16759359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448991", "properties": { "id": "SQ-29548-purvalanol-b similarity", "source_label": "SQ-29548", "target_label": "purvalanol-b", "cosine_similarity": 0.2516372501850128 } }, { "source": "CID:2907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "cyclophosphamide-GW-5074 similarity", "source_label": "cyclophosphamide", "target_label": "GW-5074", "cosine_similarity": 0.3349762260913849 } }, { "source": "CID:22228376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11644425", "properties": { "id": "GW-441756-CGP-57380 similarity", "source_label": "GW-441756", "target_label": "CGP-57380", "cosine_similarity": 0.3218437433242798 } }, { "source": "CID:25161177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "MLN-2480-cholic-acid similarity", "source_label": "MLN-2480", "target_label": "cholic-acid", "cosine_similarity": 0.564582347869873 } }, { "source": "CID:5282054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "cerulenin-NSC-632839 similarity", "source_label": "cerulenin", "target_label": "NSC-632839", "cosine_similarity": 0.8005845546722412 } }, { "source": "CID:9936746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "OTX-015-I-BET-151 similarity", "source_label": "OTX-015", "target_label": "I-BET-151", "cosine_similarity": 0.7817108035087585 } }, { "source": "CID:11438771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2267", "properties": { "id": "basimglurant-azelastine similarity", "source_label": "basimglurant", "target_label": "azelastine", "cosine_similarity": 0.3089205622673034 } }, { "source": "CID:3747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "ipriflavone-lamotrigine similarity", "source_label": "ipriflavone", "target_label": "lamotrigine", "cosine_similarity": 0.2209501713514328 } }, { "source": "CID:123831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28061", "properties": { "id": "asymmetrical-dimethylarginine-ornidazole similarity", "source_label": "asymmetrical-dimethylarginine", "target_label": "ornidazole", "cosine_similarity": 0.3143221735954284 } }, { "source": "CID:9934458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25124816", "properties": { "id": "GW-0742-GSK-1904529A similarity", "source_label": "GW-0742", "target_label": "GSK-1904529A", "cosine_similarity": 0.2367182821035385 } }, { "source": "CID:6437068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71015", "properties": { "id": "enevalproate-n-methylphenothiazine similarity", "source_label": "enevalproate", "target_label": "n-methylphenothiazine", "cosine_similarity": 0.2391202896833419 } }, { "source": "CID:216327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "senicapoc-azathioprine similarity", "source_label": "senicapoc", "target_label": "azathioprine", "cosine_similarity": 0.3412423431873321 } }, { "source": "CID:216210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54766", "properties": { "id": "dabigatran-bambuterol similarity", "source_label": "dabigatran", "target_label": "bambuterol", "cosine_similarity": 0.2060650736093521 } }, { "source": "CID:5456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "thonzonium-rhodomyrtoxin-b similarity", "source_label": "thonzonium", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.4146868884563446 } }, { "source": "CID:49843144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "SD-6-035-B2-dropropizine similarity", "source_label": "SD-6-035-B2", "target_label": "dropropizine", "cosine_similarity": 0.2785191833972931 } }, { "source": "CID:25171648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "EMD-1214063-promazine similarity", "source_label": "EMD-1214063", "target_label": "promazine", "cosine_similarity": 0.3940529823303222 } }, { "source": "CID:4909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "primidone-tiapride similarity", "source_label": "primidone", "target_label": "tiapride", "cosine_similarity": 0.3562875390052795 } }, { "source": "CID:2765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "cirazoline-PD-98059 similarity", "source_label": "cirazoline", "target_label": "PD-98059", "cosine_similarity": 0.2724388241767883 } }, { "source": "CID:121891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65944", "properties": { "id": "mitiglinide-pidotimod similarity", "source_label": "mitiglinide", "target_label": "pidotimod", "cosine_similarity": 0.3712071776390075 } }, { "source": "CID:3025961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "MPEP-GW-9662 similarity", "source_label": "MPEP", "target_label": "GW-9662", "cosine_similarity": 0.2726810872554779 } }, { "source": "CID:4883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "practolol-Gly-Gly-PALO similarity", "source_label": "practolol", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2954443991184234 } }, { "source": "CID:10171544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2266", "properties": { "id": "zaprinast-azelaic-acid similarity", "source_label": "zaprinast", "target_label": "azelaic-acid", "cosine_similarity": 0.3588367700576782 } }, { "source": "CID:44487597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657678", "properties": { "id": "SA-440832-SA-1456443 similarity", "source_label": "SA-440832", "target_label": "SA-1456443", "cosine_similarity": 0.2982214391231537 } }, { "source": "CID:9801969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "EO-1428-PP-110 similarity", "source_label": "EO-1428", "target_label": "PP-110", "cosine_similarity": 0.2804810404777527 } }, { "source": "CID:46908929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "tofogliflozin-fdcyd similarity", "source_label": "tofogliflozin", "target_label": "fdcyd", "cosine_similarity": 0.3819686472415924 } }, { "source": "CID:6041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "phenylephrine-benzbromarone similarity", "source_label": "phenylephrine", "target_label": "benzbromarone", "cosine_similarity": 0.3510434031486511 } }, { "source": "CID:54657742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657739", "properties": { "id": "SA-1455791-SA-1458189 similarity", "source_label": "SA-1455791", "target_label": "SA-1458189", "cosine_similarity": 0.2803309261798858 } }, { "source": "CID:16007391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "barasertib-HQPA-GW-5074 similarity", "source_label": "barasertib-HQPA", "target_label": "GW-5074", "cosine_similarity": 0.3367988765239715 } }, { "source": "CID:69550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843648", "properties": { "id": "acefylline-NPK76-II-72-1 similarity", "source_label": "acefylline", "target_label": "NPK76-II-72-1", "cosine_similarity": 0.2179605066776275 } }, { "source": "CID:44602404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623840", "properties": { "id": "KU-C104133-KU-C104227 similarity", "source_label": "KU-C104133", "target_label": "KU-C104227", "cosine_similarity": 0.2347505837678909 } }, { "source": "CID:2853908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "SA-3676-I-606061 similarity", "source_label": "SA-3676", "target_label": "I-606061", "cosine_similarity": 0.4701966047286987 } }, { "source": "CID:6843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "propoxycaine-EX-527 similarity", "source_label": "propoxycaine", "target_label": "EX-527", "cosine_similarity": 0.3388141691684723 } }, { "source": "CID:13109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4938", "properties": { "id": "levonorgestrel-propentofylline similarity", "source_label": "levonorgestrel", "target_label": "propentofylline", "cosine_similarity": 0.3996626734733581 } }, { "source": "CID:148184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "ampalex-roquinimex similarity", "source_label": "ampalex", "target_label": "roquinimex", "cosine_similarity": 0.4549363553524017 } }, { "source": "CID:44602376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "KU-C104127-cerulenin similarity", "source_label": "KU-C104127", "target_label": "cerulenin", "cosine_similarity": 0.2351283729076385 } }, { "source": "CID:24826799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "ponatinib-erlotinib similarity", "source_label": "ponatinib", "target_label": "erlotinib", "cosine_similarity": 0.7008730173110962 } }, { "source": "CID:2126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "AM-580-tamibarotene similarity", "source_label": "AM-580", "target_label": "tamibarotene", "cosine_similarity": 0.6619818210601807 } }, { "source": "CID:2946732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "STK-111867-estrone similarity", "source_label": "STK-111867", "target_label": "estrone", "cosine_similarity": 0.2955932021141052 } }, { "source": "CID:54658651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1456170-SA-96816 similarity", "source_label": "SA-1456170", "target_label": "SA-96816", "cosine_similarity": 0.3846651017665863 } }, { "source": "CID:216305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "alagebrium-S-18986 similarity", "source_label": "alagebrium", "target_label": "S-18986", "cosine_similarity": 0.432908147573471 } }, { "source": "CID:9823820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "lenvatinib-dapivirine similarity", "source_label": "lenvatinib", "target_label": "dapivirine", "cosine_similarity": 0.4322210550308227 } }, { "source": "CID:9642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "fluocinonide-dexamethasone similarity", "source_label": "fluocinonide", "target_label": "dexamethasone", "cosine_similarity": 0.3773316442966461 } }, { "source": "CID:3059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "diflunisal-marbofloxacin similarity", "source_label": "diflunisal", "target_label": "marbofloxacin", "cosine_similarity": 0.3605513572692871 } }, { "source": "CID:119828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593870", "properties": { "id": "parecoxib-KU-C103885 similarity", "source_label": "parecoxib", "target_label": "KU-C103885", "cosine_similarity": 0.3361602127552032 } }, { "source": "CID:2453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "broxyquinoline-gramine similarity", "source_label": "broxyquinoline", "target_label": "gramine", "cosine_similarity": 0.6146453022956848 } }, { "source": "CID:23777784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "UGISS-186-fillalbin similarity", "source_label": "UGISS-186", "target_label": "fillalbin", "cosine_similarity": 0.2719741761684418 } }, { "source": "CID:6010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "testosterone-vinpocetine similarity", "source_label": "testosterone", "target_label": "vinpocetine", "cosine_similarity": 0.2056106477975845 } }, { "source": "CID:47811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "pergolide-minoxidil similarity", "source_label": "pergolide", "target_label": "minoxidil", "cosine_similarity": 0.2673067152500152 } }, { "source": "CID:9690109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "armodafinil-nateglinide similarity", "source_label": "armodafinil", "target_label": "nateglinide", "cosine_similarity": 0.3646274507045746 } }, { "source": "CID:6321414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91588", "properties": { "id": "cefpodoxime-salsolinol similarity", "source_label": "cefpodoxime", "target_label": "salsolinol", "cosine_similarity": 0.2411048859357834 } }, { "source": "CID:3690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "ifosfamide-amikacin similarity", "source_label": "ifosfamide", "target_label": "amikacin", "cosine_similarity": 0.7831193804740906 } }, { "source": "CID:44484798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187611", "properties": { "id": "SA-89735-SA-1939838 similarity", "source_label": "SA-89735", "target_label": "SA-1939838", "cosine_similarity": 0.4486688375473022 } }, { "source": "CID:26937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3342", "properties": { "id": "clobutinol-fenoprofen similarity", "source_label": "clobutinol", "target_label": "fenoprofen", "cosine_similarity": 0.2623236775398254 } }, { "source": "CID:167683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "leucodin-phenoxazine similarity", "source_label": "leucodin", "target_label": "phenoxazine", "cosine_similarity": 0.295256644487381 } }, { "source": "CID:4105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "met-leu-phe-GW-9508 similarity", "source_label": "met-leu-phe", "target_label": "GW-9508", "cosine_similarity": 0.319395512342453 } }, { "source": "CID:133621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "imiloxan-latanoprost similarity", "source_label": "imiloxan", "target_label": "latanoprost", "cosine_similarity": 0.6131243705749512 } }, { "source": "CID:24995524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "SNS-314-AZD-8055 similarity", "source_label": "SNS-314", "target_label": "AZD-8055", "cosine_similarity": 0.2679572701454162 } }, { "source": "CID:3331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "felbamate-EX-527 similarity", "source_label": "felbamate", "target_label": "EX-527", "cosine_similarity": 0.3246957659721374 } }, { "source": "CID:6708512", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "totaralolal-brivanib similarity", "source_label": "totaralolal", "target_label": "brivanib", "cosine_similarity": 0.2343205660581588 } }, { "source": "CID:15096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "tributyltin-celastrol similarity", "source_label": "tributyltin", "target_label": "celastrol", "cosine_similarity": 0.2604471147060394 } }, { "source": "CID:460747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "STK-397047-withaferin-a similarity", "source_label": "STK-397047", "target_label": "withaferin-a", "cosine_similarity": 0.554986298084259 } }, { "source": "CID:71781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "MDL-11939-VU-0405172-2 similarity", "source_label": "MDL-11939", "target_label": "VU-0405172-2", "cosine_similarity": 0.360942929983139 } }, { "source": "CID:126280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2775510", "properties": { "id": "indatraline-wiskostatin similarity", "source_label": "indatraline", "target_label": "wiskostatin", "cosine_similarity": 0.4857552051544189 } }, { "source": "CID:10040286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25429", "properties": { "id": "TC-1-carbendazim similarity", "source_label": "TC-1", "target_label": "carbendazim", "cosine_similarity": 0.2819720208644867 } }, { "source": "CID:438981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71781", "properties": { "id": "NSC-693868-MDL-11939 similarity", "source_label": "NSC-693868", "target_label": "MDL-11939", "cosine_similarity": 0.3376375436782837 } }, { "source": "CID:2300880", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657713", "properties": { "id": "ST-013960-SA-1459963 similarity", "source_label": "ST-013960", "target_label": "SA-1459963", "cosine_similarity": 0.2481987625360489 } }, { "source": "CID:16667713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4990100", "properties": { "id": "tilmicosin-kynuramine similarity", "source_label": "tilmicosin", "target_label": "kynuramine", "cosine_similarity": 0.1769707649946212 } }, { "source": "CID:44484222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-90024-SA-441181 similarity", "source_label": "SA-90024", "target_label": "SA-441181", "cosine_similarity": 0.4668201506137848 } }, { "source": "CID:2019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "actinomycin-d-triptolide similarity", "source_label": "actinomycin-d", "target_label": "triptolide", "cosine_similarity": 0.7844558954238892 } }, { "source": "CID:15224271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "anidulafungin-S-18986 similarity", "source_label": "anidulafungin", "target_label": "S-18986", "cosine_similarity": 0.3946689963340759 } }, { "source": "CID:5330790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "JNJ-7706621-rucaparib similarity", "source_label": "JNJ-7706621", "target_label": "rucaparib", "cosine_similarity": 0.5528983473777771 } }, { "source": "CID:5401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "terazosin-phenoxazine similarity", "source_label": "terazosin", "target_label": "phenoxazine", "cosine_similarity": 0.2898849546909332 } }, { "source": "CID:9952884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "voreloxin-vortioxetine similarity", "source_label": "voreloxin", "target_label": "vortioxetine", "cosine_similarity": 0.4265611171722412 } }, { "source": "CID:10068193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "LM-1685-GW-1929 similarity", "source_label": "LM-1685", "target_label": "GW-1929", "cosine_similarity": 0.2341538667678833 } }, { "source": "CID:4314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "W-5-FTI-276 similarity", "source_label": "W-5", "target_label": "FTI-276", "cosine_similarity": 0.2741521298885345 } }, { "source": "CID:35375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "etofenamate-cabozantinib similarity", "source_label": "etofenamate", "target_label": "cabozantinib", "cosine_similarity": 0.3346559107303619 } }, { "source": "CID:9927768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "tenoxicam-fumonisin-b1 similarity", "source_label": "tenoxicam", "target_label": "fumonisin-b1", "cosine_similarity": 0.3266224861145019 } }, { "source": "CID:155806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "MMPX-naloxone similarity", "source_label": "MMPX", "target_label": "naloxone", "cosine_similarity": 0.3431339263916015 } }, { "source": "CID:44490857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "SA-103123-AR-A014418 similarity", "source_label": "SA-103123", "target_label": "AR-A014418", "cosine_similarity": 0.3199351727962494 } }, { "source": "CID:3356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "flecainide-apafant similarity", "source_label": "flecainide", "target_label": "apafant", "cosine_similarity": 0.4257960319519043 } }, { "source": "CID:9223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29327", "properties": { "id": "benzofuran-streptozotocin similarity", "source_label": "benzofuran", "target_label": "streptozotocin", "cosine_similarity": 0.2876750230789184 } }, { "source": "CID:24901704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "MGCD-265-vandetanib similarity", "source_label": "MGCD-265", "target_label": "vandetanib", "cosine_similarity": 0.2881295382976532 } }, { "source": "CID:4760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "phenindione-leucovorin similarity", "source_label": "phenindione", "target_label": "leucovorin", "cosine_similarity": 0.2682663202285766 } }, { "source": "CID:6449767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "arvanil-butein similarity", "source_label": "arvanil", "target_label": "butein", "cosine_similarity": 0.4497784972190857 } }, { "source": "CID:3348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "fexofenadine-lorcaserin similarity", "source_label": "fexofenadine", "target_label": "lorcaserin", "cosine_similarity": 0.4524475634098053 } }, { "source": "CID:3001077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "fusidic-acid-ketorolac similarity", "source_label": "fusidic-acid", "target_label": "ketorolac", "cosine_similarity": 0.3944453299045563 } }, { "source": "CID:44616738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507307", "properties": { "id": "SA-427228-SA-247654 similarity", "source_label": "SA-427228", "target_label": "SA-247654", "cosine_similarity": 0.3746645748615265 } }, { "source": "CID:54657711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-1456751-SA-1459173 similarity", "source_label": "SA-1456751", "target_label": "SA-1459173", "cosine_similarity": 0.2930275201797485 } }, { "source": "CID:16759997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "cyanopindolol-UNC-0321 similarity", "source_label": "cyanopindolol", "target_label": "UNC-0321", "cosine_similarity": 0.2545923590660095 } }, { "source": "CID:44485243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-85290-SA-1458610 similarity", "source_label": "SA-85290", "target_label": "SA-1458610", "cosine_similarity": 0.2541668713092804 } }, { "source": "CID:9799509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "ER-27319-PIK-75 similarity", "source_label": "ER-27319", "target_label": "PIK-75", "cosine_similarity": 0.7183603644371033 } }, { "source": "CID:441199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "cefoxitin-SA-102096 similarity", "source_label": "cefoxitin", "target_label": "SA-102096", "cosine_similarity": 0.2954136729240417 } }, { "source": "CID:11417954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131536", "properties": { "id": "ADL-5859-fosamprenavir similarity", "source_label": "ADL-5859", "target_label": "fosamprenavir", "cosine_similarity": 0.292879045009613 } }, { "source": "CID:831629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2155128", "properties": { "id": "alda-1-IWP-2 similarity", "source_label": "alda-1", "target_label": "IWP-2", "cosine_similarity": 0.4890778660774231 } }, { "source": "CID:4237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "mofezolac-ST-059620 similarity", "source_label": "mofezolac", "target_label": "ST-059620", "cosine_similarity": 0.2886269390583038 } }, { "source": "CID:444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208898", "properties": { "id": "bupropion-dronedarone similarity", "source_label": "bupropion", "target_label": "dronedarone", "cosine_similarity": 0.4127234518527984 } }, { "source": "CID:123831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "asymmetrical-dimethylarginine-estramustine-phosphate similarity", "source_label": "asymmetrical-dimethylarginine", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3680290877819061 } }, { "source": "CID:57697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25031915", "properties": { "id": "pemirolast-lucitanib similarity", "source_label": "pemirolast", "target_label": "lucitanib", "cosine_similarity": 0.3858500123023987 } }, { "source": "CID:4044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603931", "properties": { "id": "mefenamic-acid-MRS-1754 similarity", "source_label": "mefenamic-acid", "target_label": "MRS-1754", "cosine_similarity": 0.2671860456466675 } }, { "source": "CID:72303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4828", "properties": { "id": "honokiol-pindolol similarity", "source_label": "honokiol", "target_label": "pindolol", "cosine_similarity": 0.4894705414772033 } }, { "source": "CID:50287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "tiotidine-remacemide similarity", "source_label": "tiotidine", "target_label": "remacemide", "cosine_similarity": 0.2959978282451629 } }, { "source": "CID:771910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51360697", "properties": { "id": "ITSA-1-KUC107191N similarity", "source_label": "ITSA-1", "target_label": "KUC107191N", "cosine_similarity": 0.3246144354343414 } }, { "source": "CID:44505239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654560", "properties": { "id": "SA-419021-SA-1473468 similarity", "source_label": "SA-419021", "target_label": "SA-1473468", "cosine_similarity": 0.3022967875003814 } }, { "source": "CID:24906282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "KIN001-043-AZD-5438 similarity", "source_label": "KIN001-043", "target_label": "AZD-5438", "cosine_similarity": 0.4849358797073364 } }, { "source": "CID:6185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "strophanthidin-proscillaridin similarity", "source_label": "strophanthidin", "target_label": "proscillaridin", "cosine_similarity": 0.8058401942253113 } }, { "source": "CID:4302960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "GR-103691-SB-216641 similarity", "source_label": "GR-103691", "target_label": "SB-216641", "cosine_similarity": 0.3541692197322845 } }, { "source": "CID:6445562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "pelitinib-RAF-265 similarity", "source_label": "pelitinib", "target_label": "RAF-265", "cosine_similarity": 0.5836175084114075 } }, { "source": "CID:47965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "cefadroxil-carbon-tetrachloride similarity", "source_label": "cefadroxil", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.2090434581041336 } }, { "source": "CID:494471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3289", "properties": { "id": "methyllycaconitine-ethoprop similarity", "source_label": "methyllycaconitine", "target_label": "ethoprop", "cosine_similarity": 0.2483197450637817 } }, { "source": "CID:65457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107641", "properties": { "id": "bropirimine-indobufen similarity", "source_label": "bropirimine", "target_label": "indobufen", "cosine_similarity": 0.316004604101181 } }, { "source": "CID:2820696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23844163", "properties": { "id": "KM-04644SC-NK42-I-109-1 similarity", "source_label": "KM-04644SC", "target_label": "NK42-I-109-1", "cosine_similarity": 0.2859579920768738 } }, { "source": "CID:5453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "thiotepa-DAC-009 similarity", "source_label": "thiotepa", "target_label": "DAC-009", "cosine_similarity": 0.3150792121887207 } }, { "source": "CID:5546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "triamterene-probucol similarity", "source_label": "triamterene", "target_label": "probucol", "cosine_similarity": 0.2740647494792938 } }, { "source": "CID:60785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "fananserin-5-methoxytryptamine similarity", "source_label": "fananserin", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.3609998822212219 } }, { "source": "CID:24747188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448991", "properties": { "id": "JAS07-002-purvalanol-b similarity", "source_label": "JAS07-002", "target_label": "purvalanol-b", "cosine_similarity": 0.2347574084997177 } }, { "source": "CID:10668211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "R-96544-raloxifene similarity", "source_label": "R-96544", "target_label": "raloxifene", "cosine_similarity": 0.4623547792434692 } }, { "source": "CID:72947407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "MD-049-GP-42 similarity", "source_label": "MD-049", "target_label": "GP-42", "cosine_similarity": 0.7478606104850769 } }, { "source": "CID:670967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11219195", "properties": { "id": "ST-019365-KU-C103658 similarity", "source_label": "ST-019365", "target_label": "KU-C103658", "cosine_similarity": 0.1746399700641632 } }, { "source": "CID:134044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "labetalol-cholic-acid similarity", "source_label": "labetalol", "target_label": "cholic-acid", "cosine_similarity": 0.5194919109344482 } }, { "source": "CID:21704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "vidarabine-LGK-974 similarity", "source_label": "vidarabine", "target_label": "LGK-974", "cosine_similarity": 0.2992935478687286 } }, { "source": "CID:3272300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "SB-203186-L-ergothioneine similarity", "source_label": "SB-203186", "target_label": "L-ergothioneine", "cosine_similarity": 0.4990215301513672 } }, { "source": "CID:54657694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "SA-1460192-BMS-754807 similarity", "source_label": "SA-1460192", "target_label": "BMS-754807", "cosine_similarity": 0.3095522224903106 } }, { "source": "CID:24788740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "GDC-0068-everolimus similarity", "source_label": "GDC-0068", "target_label": "everolimus", "cosine_similarity": 0.6344897150993347 } }, { "source": "CID:9823820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20555075", "properties": { "id": "lenvatinib-CGP-12177 similarity", "source_label": "lenvatinib", "target_label": "CGP-12177", "cosine_similarity": 0.5923354625701904 } }, { "source": "CID:162834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "fenobam-CV-1808 similarity", "source_label": "fenobam", "target_label": "CV-1808", "cosine_similarity": 0.3113768994808197 } }, { "source": "CID:44607977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "KU-C104145-temozolomide similarity", "source_label": "KU-C104145", "target_label": "temozolomide", "cosine_similarity": 0.3130055963993072 } }, { "source": "CID:1241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "SKF-77434-MW-STK33-4C similarity", "source_label": "SKF-77434", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3156066536903381 } }, { "source": "CID:3272300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "SB-203186-meclofenamic-acid similarity", "source_label": "SB-203186", "target_label": "meclofenamic-acid", "cosine_similarity": 0.4747232794761657 } }, { "source": "CID:24747209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623840", "properties": { "id": "PSH-012-KU-C104227 similarity", "source_label": "PSH-012", "target_label": "KU-C104227", "cosine_similarity": 0.2567142248153686 } }, { "source": "CID:57345770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15331", "properties": { "id": "KI-20227-daminozide similarity", "source_label": "KI-20227", "target_label": "daminozide", "cosine_similarity": 0.3521123826503753 } }, { "source": "CID:861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "rathyronine-fumonisin-b1 similarity", "source_label": "rathyronine", "target_label": "fumonisin-b1", "cosine_similarity": 0.3338961005210876 } }, { "source": "CID:73707445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "nicardipine-HO-013 similarity", "source_label": "nicardipine", "target_label": "HO-013", "cosine_similarity": 0.311352014541626 } }, { "source": "CID:65854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "anpirtoline-meclofenamic-acid similarity", "source_label": "anpirtoline", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2671593427658081 } }, { "source": "CID:345945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:821257", "properties": { "id": "RAN-30-RAN-14A similarity", "source_label": "RAN-30", "target_label": "RAN-14A", "cosine_similarity": 0.2438819706439972 } }, { "source": "CID:13121776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2480", "properties": { "id": "nafcilline-butacaine similarity", "source_label": "nafcilline", "target_label": "butacaine", "cosine_similarity": 0.3376520872116089 } }, { "source": "CID:2391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "bisacodyl-ouabain similarity", "source_label": "bisacodyl", "target_label": "ouabain", "cosine_similarity": 0.5240678787231445 } }, { "source": "CID:68801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60910", "properties": { "id": "piketoprofen-mifobate similarity", "source_label": "piketoprofen", "target_label": "mifobate", "cosine_similarity": 0.2616918981075287 } }, { "source": "CID:7048637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "cefalotin-L-ergothioneine similarity", "source_label": "cefalotin", "target_label": "L-ergothioneine", "cosine_similarity": 0.289096474647522 } }, { "source": "CID:129360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918509", "properties": { "id": "L-670596-BIBN-4096 similarity", "source_label": "L-670596", "target_label": "BIBN-4096", "cosine_similarity": 0.2765063047409057 } }, { "source": "CID:775191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "DAC-012-darinaparsin similarity", "source_label": "DAC-012", "target_label": "darinaparsin", "cosine_similarity": 0.3995360136032104 } }, { "source": "CID:30951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "alclofenac-T-0156 similarity", "source_label": "alclofenac", "target_label": "T-0156", "cosine_similarity": 0.3428510129451751 } }, { "source": "CID:44632017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "YK-4279-ASN-05257430 similarity", "source_label": "YK-4279", "target_label": "ASN-05257430", "cosine_similarity": 0.5054143667221069 } }, { "source": "CID:23958199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "apramycin-SA-89735 similarity", "source_label": "apramycin", "target_label": "SA-89735", "cosine_similarity": 0.1920461356639862 } }, { "source": "CID:54658669", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658965", "properties": { "id": "SA-1456227-SA-1456352 similarity", "source_label": "SA-1456227", "target_label": "SA-1456352", "cosine_similarity": 0.2656219601631164 } }, { "source": "CID:46843057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59174488", "properties": { "id": "GSK-2110183-AVL-292 similarity", "source_label": "GSK-2110183", "target_label": "AVL-292", "cosine_similarity": 0.4324468672275543 } }, { "source": "CID:13765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "ethylestrenol-cefixime similarity", "source_label": "ethylestrenol", "target_label": "cefixime", "cosine_similarity": 0.2693813145160675 } }, { "source": "CID:13186954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707370", "properties": { "id": "KU-C103656-TUL-XVIII076 similarity", "source_label": "KU-C103656", "target_label": "TUL-XVIII076", "cosine_similarity": 0.2534321248531341 } }, { "source": "CID:6435901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "linoleamide-UNC-0321 similarity", "source_label": "linoleamide", "target_label": "UNC-0321", "cosine_similarity": 0.2667692899703979 } }, { "source": "CID:1206243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549213", "properties": { "id": "mirin-PU-H71 similarity", "source_label": "mirin", "target_label": "PU-H71", "cosine_similarity": 0.3152124583721161 } }, { "source": "CID:159269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "telbivudine-pritelivir similarity", "source_label": "telbivudine", "target_label": "pritelivir", "cosine_similarity": 0.425740897655487 } }, { "source": "CID:25226380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "enobosarm-SA-1455822 similarity", "source_label": "enobosarm", "target_label": "SA-1455822", "cosine_similarity": 0.2672881186008453 } }, { "source": "CID:24747172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "PSH-022-UB-165 similarity", "source_label": "PSH-022", "target_label": "UB-165", "cosine_similarity": 0.286724179983139 } }, { "source": "CID:4934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "propantheline-PT-630 similarity", "source_label": "propantheline", "target_label": "PT-630", "cosine_similarity": 0.2571589946746826 } }, { "source": "CID:60149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "sertindole-GR-127935 similarity", "source_label": "sertindole", "target_label": "GR-127935", "cosine_similarity": 0.3157926499843597 } }, { "source": "CID:5361202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "cefuroxime-DAC-004 similarity", "source_label": "cefuroxime", "target_label": "DAC-004", "cosine_similarity": 0.3378568887710571 } }, { "source": "CID:8969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "yohimbine-gimeracil similarity", "source_label": "yohimbine", "target_label": "gimeracil", "cosine_similarity": 0.5125678181648254 } }, { "source": "CID:60186762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186845", "properties": { "id": "SA-1939126-SA-1938757 similarity", "source_label": "SA-1939126", "target_label": "SA-1938757", "cosine_similarity": 0.326512336730957 } }, { "source": "CID:4472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132862", "properties": { "id": "nialamide-targinine similarity", "source_label": "nialamide", "target_label": "targinine", "cosine_similarity": 0.2573992609977722 } }, { "source": "CID:73707441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "YL-60-ML-161 similarity", "source_label": "YL-60", "target_label": "ML-161", "cosine_similarity": 0.3202595114707947 } }, { "source": "CID:2691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "CGS-21680-bucladesine similarity", "source_label": "CGS-21680", "target_label": "bucladesine", "cosine_similarity": 0.4608616232872009 } }, { "source": "CID:9846332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "halometasone-clobetasol similarity", "source_label": "halometasone", "target_label": "clobetasol", "cosine_similarity": 0.3236143290996551 } }, { "source": "CID:50515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41867", "properties": { "id": "amonafide-epirubicin similarity", "source_label": "amonafide", "target_label": "epirubicin", "cosine_similarity": 0.5224841237068176 } }, { "source": "CID:73707604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "avicin-g-NSC-663284 similarity", "source_label": "avicin-g", "target_label": "NSC-663284", "cosine_similarity": 0.4208790957927704 } }, { "source": "CID:3276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "etanidazole-levosulpiride similarity", "source_label": "etanidazole", "target_label": "levosulpiride", "cosine_similarity": 0.3607969284057617 } }, { "source": "CID:24748573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "CX-4945-oncrasin-1 similarity", "source_label": "CX-4945", "target_label": "oncrasin-1", "cosine_similarity": 0.4298908114433288 } }, { "source": "CID:54669029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44501814", "properties": { "id": "SA-1921574-SA-103006 similarity", "source_label": "SA-1921574", "target_label": "SA-103006", "cosine_similarity": 0.3157436549663543 } }, { "source": "CID:160254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4008", "properties": { "id": "cryptotanshinone-manidipine similarity", "source_label": "cryptotanshinone", "target_label": "manidipine", "cosine_similarity": 0.3102946281433105 } }, { "source": "CID:3034034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "quinine-amikacin similarity", "source_label": "quinine", "target_label": "amikacin", "cosine_similarity": 0.6433299779891968 } }, { "source": "CID:2438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "BRL-54443-iniparib similarity", "source_label": "BRL-54443", "target_label": "iniparib", "cosine_similarity": 0.2838373482227325 } }, { "source": "CID:3177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:574780", "properties": { "id": "DUP-697-BD-1063 similarity", "source_label": "DUP-697", "target_label": "BD-1063", "cosine_similarity": 0.2765293717384338 } }, { "source": "CID:16038120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "NVP-TAE684-dasatinib similarity", "source_label": "NVP-TAE684", "target_label": "dasatinib", "cosine_similarity": 0.5375686287879944 } }, { "source": "CID:42574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "closantel-picolinic-acid similarity", "source_label": "closantel", "target_label": "picolinic-acid", "cosine_similarity": 0.2808427214622497 } }, { "source": "CID:4284525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604933", "properties": { "id": "GR-135531-WAY-629 similarity", "source_label": "GR-135531", "target_label": "WAY-629", "cosine_similarity": 0.2000120878219604 } }, { "source": "CID:24094067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "I-303059-myricetin similarity", "source_label": "I-303059", "target_label": "myricetin", "cosine_similarity": 0.2675070464611053 } }, { "source": "CID:4549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "NPPB-saxagliptin similarity", "source_label": "NPPB", "target_label": "saxagliptin", "cosine_similarity": 0.2073560208082199 } }, { "source": "CID:108143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "tamibarotene-AM-580 similarity", "source_label": "tamibarotene", "target_label": "AM-580", "cosine_similarity": 0.6619818210601807 } }, { "source": "CID:51003702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "ARG-CSC2-23-JPR-3-97-17 similarity", "source_label": "ARG-CSC2-23", "target_label": "JPR-3-97-17", "cosine_similarity": 0.2784508764743805 } }, { "source": "CID:73707425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "guggulsterone-AG-957 similarity", "source_label": "guggulsterone", "target_label": "AG-957", "cosine_similarity": 0.4498236179351806 } }, { "source": "CID:11560787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "E-2012-acetazolamide similarity", "source_label": "E-2012", "target_label": "acetazolamide", "cosine_similarity": 0.3922800421714782 } }, { "source": "CID:73707595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71748056", "properties": { "id": "avicin-d-QL-XII-47 similarity", "source_label": "avicin-d", "target_label": "QL-XII-47", "cosine_similarity": 0.3104173839092254 } }, { "source": "CID:2549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "capsazepine-KU-C104337 similarity", "source_label": "capsazepine", "target_label": "KU-C104337", "cosine_similarity": 0.6503185629844666 } }, { "source": "CID:216284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65457", "properties": { "id": "zeranol-bropirimine similarity", "source_label": "zeranol", "target_label": "bropirimine", "cosine_similarity": 0.1828488856554031 } }, { "source": "CID:6602442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "hydrocortisone-phosphate-clocortolone-pivalate similarity", "source_label": "hydrocortisone-phosphate", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.3640257120132446 } }, { "source": "CID:96946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "lobelanidine-XAV-939 similarity", "source_label": "lobelanidine", "target_label": "XAV-939", "cosine_similarity": 0.3826638460159302 } }, { "source": "CID:2122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "altizide-BMS-191011 similarity", "source_label": "altizide", "target_label": "BMS-191011", "cosine_similarity": 0.2296940386295318 } }, { "source": "CID:41684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "nitazoxanide-NNC-55-0396 similarity", "source_label": "nitazoxanide", "target_label": "NNC-55-0396", "cosine_similarity": 0.5431938767433167 } }, { "source": "CID:125564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4184", "properties": { "id": "blonanserin-mianserin similarity", "source_label": "blonanserin", "target_label": "mianserin", "cosine_similarity": 0.3059418201446533 } }, { "source": "CID:2834356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931012", "properties": { "id": "ST-003833-BIX-02189 similarity", "source_label": "ST-003833", "target_label": "BIX-02189", "cosine_similarity": 0.2271424829959869 } }, { "source": "CID:6604200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "nitrofurantoin-SKI-II similarity", "source_label": "nitrofurantoin", "target_label": "SKI-II", "cosine_similarity": 0.3616105616092682 } }, { "source": "CID:129228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4891", "properties": { "id": "rufinamide-praziquantel similarity", "source_label": "rufinamide", "target_label": "praziquantel", "cosine_similarity": 0.2762545645236969 } }, { "source": "CID:44640183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "KU-C104486-CAY-10618 similarity", "source_label": "KU-C104486", "target_label": "CAY-10618", "cosine_similarity": 0.4966374039649963 } }, { "source": "CID:34677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1225", "properties": { "id": "2-aminotetralin-SKF-82958 similarity", "source_label": "2-aminotetralin", "target_label": "SKF-82958", "cosine_similarity": 0.2192191779613495 } }, { "source": "CID:45259133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72385", "properties": { "id": "VU-0415113-1-nonoxynol-9 similarity", "source_label": "VU-0415113-1", "target_label": "nonoxynol-9", "cosine_similarity": 0.2223633527755737 } }, { "source": "CID:4237309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57364", "properties": { "id": "L-701252-carmoxirole similarity", "source_label": "L-701252", "target_label": "carmoxirole", "cosine_similarity": 0.2209967076778412 } }, { "source": "CID:5920", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9911463", "properties": { "id": "liothyronine-GW-405833 similarity", "source_label": "liothyronine", "target_label": "GW-405833", "cosine_similarity": 0.2045547217130661 } }, { "source": "CID:65457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2392", "properties": { "id": "bropirimine-pibenzimol similarity", "source_label": "bropirimine", "target_label": "pibenzimol", "cosine_similarity": 0.3588119149208069 } }, { "source": "CID:82146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "bexarotene-apocynin similarity", "source_label": "bexarotene", "target_label": "apocynin", "cosine_similarity": 0.3849470019340515 } }, { "source": "CID:3803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "JLK-6-NSC-632839 similarity", "source_label": "JLK-6", "target_label": "NSC-632839", "cosine_similarity": 0.5911282300949097 } }, { "source": "CID:2777391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72385", "properties": { "id": "T-0070907-nonoxynol-9 similarity", "source_label": "T-0070907", "target_label": "nonoxynol-9", "cosine_similarity": 0.3505993485450744 } }, { "source": "CID:4456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54688261", "properties": { "id": "neostigmine-warfarin similarity", "source_label": "neostigmine", "target_label": "warfarin", "cosine_similarity": 0.4241379797458648 } }, { "source": "CID:65906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "mizolastine-neostigmine similarity", "source_label": "mizolastine", "target_label": "neostigmine", "cosine_similarity": 0.3019792437553406 } }, { "source": "CID:4630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503044", "properties": { "id": "oxotremorine-sesquifumarate-dihydroobliquin similarity", "source_label": "oxotremorine-sesquifumarate", "target_label": "dihydroobliquin", "cosine_similarity": 0.228736326098442 } }, { "source": "CID:3003565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "wortmannin-PI-828 similarity", "source_label": "wortmannin", "target_label": "PI-828", "cosine_similarity": 0.703863263130188 } }, { "source": "CID:54477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "remoxipride-SA-423131 similarity", "source_label": "remoxipride", "target_label": "SA-423131", "cosine_similarity": 0.2965068221092224 } }, { "source": "CID:6708582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "deoxyandirobin-ketotifen similarity", "source_label": "deoxyandirobin", "target_label": "ketotifen", "cosine_similarity": 0.2106273174285888 } }, { "source": "CID:65747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "reserpic-acid-HO-013 similarity", "source_label": "reserpic-acid", "target_label": "HO-013", "cosine_similarity": 0.2639231383800506 } }, { "source": "CID:18755269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6435901", "properties": { "id": "SDZ-WAG-994-linoleamide similarity", "source_label": "SDZ-WAG-994", "target_label": "linoleamide", "cosine_similarity": 0.2346554100513458 } }, { "source": "CID:6708718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "lupanine-meclizine similarity", "source_label": "lupanine", "target_label": "meclizine", "cosine_similarity": 0.3218808770179748 } }, { "source": "CID:679758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "ST-209453-ST-4029655 similarity", "source_label": "ST-209453", "target_label": "ST-4029655", "cosine_similarity": 0.296085000038147 } }, { "source": "CID:4375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "FG-7142-N-methylquipazine similarity", "source_label": "FG-7142", "target_label": "N-methylquipazine", "cosine_similarity": 0.2991150319576263 } }, { "source": "CID:130325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "SA-792709-NSC-632839 similarity", "source_label": "SA-792709", "target_label": "NSC-632839", "cosine_similarity": 0.7093707919120789 } }, { "source": "CID:10370504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "UK-356618-SC-144 similarity", "source_label": "UK-356618", "target_label": "SC-144", "cosine_similarity": 0.3264786303043365 } }, { "source": "CID:7333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "ditolylguanidine-GSK-J1 similarity", "source_label": "ditolylguanidine", "target_label": "GSK-J1", "cosine_similarity": 0.2233542650938034 } }, { "source": "CID:3878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "lamotrigine-riluzole similarity", "source_label": "lamotrigine", "target_label": "riluzole", "cosine_similarity": 0.5105000734329224 } }, { "source": "CID:3151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "domperidone-amiodarone similarity", "source_label": "domperidone", "target_label": "amiodarone", "cosine_similarity": 0.1915862709283828 } }, { "source": "CID:44487652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-85268-SA-419090 similarity", "source_label": "SA-85268", "target_label": "SA-419090", "cosine_similarity": 0.4802846610546112 } }, { "source": "CID:11001318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155815", "properties": { "id": "tafamidis-meglumine-varespladib similarity", "source_label": "tafamidis-meglumine", "target_label": "varespladib", "cosine_similarity": 0.3866210877895355 } }, { "source": "CID:4165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "meticrane-ITSA-1 similarity", "source_label": "meticrane", "target_label": "ITSA-1", "cosine_similarity": 0.233188048005104 } }, { "source": "CID:60186794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500706", "properties": { "id": "SA-1939064-SA-97259 similarity", "source_label": "SA-1939064", "target_label": "SA-97259", "cosine_similarity": 0.3324513137340545 } }, { "source": "CID:259329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "estramustine-phosphate-clozapine similarity", "source_label": "estramustine-phosphate", "target_label": "clozapine", "cosine_similarity": 0.4919212758541107 } }, { "source": "CID:43231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "clorsulon-sulfamethoxypyridazine similarity", "source_label": "clorsulon", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.2092989683151245 } }, { "source": "CID:44497649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281040", "properties": { "id": "SD-6-035-A8-montelukast similarity", "source_label": "SD-6-035-A8", "target_label": "montelukast", "cosine_similarity": 0.3458949327468872 } }, { "source": "CID:7048624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "cefazolin-quinethazone similarity", "source_label": "cefazolin", "target_label": "quinethazone", "cosine_similarity": 0.2498188614845276 } }, { "source": "CID:15723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3036864", "properties": { "id": "azacyclonol-SCH-23390 similarity", "source_label": "azacyclonol", "target_label": "SCH-23390", "cosine_similarity": 0.2450967729091644 } }, { "source": "CID:638024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53708", "properties": { "id": "piperine-enoximone similarity", "source_label": "piperine", "target_label": "enoximone", "cosine_similarity": 0.1827902495861053 } }, { "source": "CID:46700756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565545", "properties": { "id": "LY-2606368-PF-477736 similarity", "source_label": "LY-2606368", "target_label": "PF-477736", "cosine_similarity": 0.6835189461708069 } }, { "source": "CID:44500706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186794", "properties": { "id": "SA-97259-SA-1939064 similarity", "source_label": "SA-97259", "target_label": "SA-1939064", "cosine_similarity": 0.3324513137340545 } }, { "source": "CID:3035714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "ABT-751-CYT-997 similarity", "source_label": "ABT-751", "target_label": "CYT-997", "cosine_similarity": 0.7946963906288147 } }, { "source": "CID:151289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "evodiamine-parbendazole similarity", "source_label": "evodiamine", "target_label": "parbendazole", "cosine_similarity": 0.4252970516681671 } }, { "source": "CID:22152353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ORG-9768-anandamide similarity", "source_label": "ORG-9768", "target_label": "anandamide", "cosine_similarity": 0.4561173617839813 } }, { "source": "CID:448281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3446", "properties": { "id": "ORE-1001-gabapentin similarity", "source_label": "ORE-1001", "target_label": "gabapentin", "cosine_similarity": 0.3717233538627624 } }, { "source": "CID:54657738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "SA-1458487-latanoprost similarity", "source_label": "SA-1458487", "target_label": "latanoprost", "cosine_similarity": 0.2833069562911987 } }, { "source": "CID:441290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "rocuronium-tibolone similarity", "source_label": "rocuronium", "target_label": "tibolone", "cosine_similarity": 0.4315574467182159 } }, { "source": "CID:6321411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "cefixime-enrofloxacin similarity", "source_label": "cefixime", "target_label": "enrofloxacin", "cosine_similarity": 0.364530861377716 } }, { "source": "CID:135560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "EMF-csc-9-rolipram similarity", "source_label": "EMF-csc-9", "target_label": "rolipram", "cosine_similarity": 0.4326892495155334 } }, { "source": "CID:20854195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601475", "properties": { "id": "KUC104235N-KUC103903N similarity", "source_label": "KUC104235N", "target_label": "KUC103903N", "cosine_similarity": 0.3357723653316498 } }, { "source": "CID:2973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2355", "properties": { "id": "deferoxamine-mesylate-bergapten similarity", "source_label": "deferoxamine-mesylate", "target_label": "bergapten", "cosine_similarity": 0.6264293193817139 } }, { "source": "CID:44607530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "WZ-4002-neratinib similarity", "source_label": "WZ-4002", "target_label": "neratinib", "cosine_similarity": 0.4334782660007477 } }, { "source": "CID:3965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "loxoprofen-bemegride similarity", "source_label": "loxoprofen", "target_label": "bemegride", "cosine_similarity": 0.4626200497150421 } }, { "source": "CID:46943258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "VU-0424206-1-beclometasone similarity", "source_label": "VU-0424206-1", "target_label": "beclometasone", "cosine_similarity": 0.2985104620456695 } }, { "source": "CID:4832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "pipenzolate-fisetin similarity", "source_label": "pipenzolate", "target_label": "fisetin", "cosine_similarity": 0.5636061429977417 } }, { "source": "CID:5074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "ritanserin-SA-427228 similarity", "source_label": "ritanserin", "target_label": "SA-427228", "cosine_similarity": 0.2427804321050644 } }, { "source": "CID:24747209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "PSH-012-liranaftate similarity", "source_label": "PSH-012", "target_label": "liranaftate", "cosine_similarity": 0.2459381967782974 } }, { "source": "CID:5282593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "homatropine-enzastaurin similarity", "source_label": "homatropine", "target_label": "enzastaurin", "cosine_similarity": 0.2568728327751159 } }, { "source": "CID:53389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "rimcazole-tetrandrine similarity", "source_label": "rimcazole", "target_label": "tetrandrine", "cosine_similarity": 0.539222240447998 } }, { "source": "CID:6443013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "HO-013-APO-866 similarity", "source_label": "HO-013", "target_label": "APO-866", "cosine_similarity": 0.4044482707977295 } }, { "source": "CID:657309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "ipratropium-alaproclate similarity", "source_label": "ipratropium", "target_label": "alaproclate", "cosine_similarity": 0.4353969991207123 } }, { "source": "CID:53382764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "SA-1459213-SA-1456170 similarity", "source_label": "SA-1459213", "target_label": "SA-1456170", "cosine_similarity": 0.595215380191803 } }, { "source": "CID:446155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "fluvastatin-atorvastatin similarity", "source_label": "fluvastatin", "target_label": "atorvastatin", "cosine_similarity": 0.6093976497650146 } }, { "source": "CID:5983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "physostigmine-aminoglutethimide similarity", "source_label": "physostigmine", "target_label": "aminoglutethimide", "cosine_similarity": 0.3982816636562347 } }, { "source": "CID:60877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "emtricitabine-iguratimod similarity", "source_label": "emtricitabine", "target_label": "iguratimod", "cosine_similarity": 0.4353244006633758 } }, { "source": "CID:54454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "simvastatin-tandutinib similarity", "source_label": "simvastatin", "target_label": "tandutinib", "cosine_similarity": 0.530735969543457 } }, { "source": "CID:9956222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "YM-201636-trifluoperazine similarity", "source_label": "YM-201636", "target_label": "trifluoperazine", "cosine_similarity": 0.4591523110866546 } }, { "source": "CID:3366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6410758", "properties": { "id": "flucytosine-cefatrizine similarity", "source_label": "flucytosine", "target_label": "cefatrizine", "cosine_similarity": 0.2215870469808578 } }, { "source": "CID:132449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2756", "properties": { "id": "L-690330-cimetidine similarity", "source_label": "L-690330", "target_label": "cimetidine", "cosine_similarity": 0.4457569420337677 } }, { "source": "CID:20507134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "isoxicam-coumarin similarity", "source_label": "isoxicam", "target_label": "coumarin", "cosine_similarity": 0.3063932955265045 } }, { "source": "CID:2678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "cetirizine-AR-C133057XX similarity", "source_label": "cetirizine", "target_label": "AR-C133057XX", "cosine_similarity": 0.2643018662929535 } }, { "source": "CID:44484798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SA-89735-gliclazide similarity", "source_label": "SA-89735", "target_label": "gliclazide", "cosine_similarity": 0.3955749869346618 } }, { "source": "CID:190901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362116", "properties": { "id": "N-MPPP-delapril similarity", "source_label": "N-MPPP", "target_label": "delapril", "cosine_similarity": 0.3588563203811645 } }, { "source": "CID:6160690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6435415", "properties": { "id": "GR-46611-cilastatin similarity", "source_label": "GR-46611", "target_label": "cilastatin", "cosine_similarity": 0.2066137641668319 } }, { "source": "CID:4139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "methylene-blue-fdcyd similarity", "source_label": "methylene-blue", "target_label": "fdcyd", "cosine_similarity": 0.3642401099205017 } }, { "source": "CID:5281672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "myricetin-gossypin similarity", "source_label": "myricetin", "target_label": "gossypin", "cosine_similarity": 0.4865981042385101 } }, { "source": "CID:2343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4507", "properties": { "id": "benzthiazide-nitrendipine similarity", "source_label": "benzthiazide", "target_label": "nitrendipine", "cosine_similarity": 0.3366462886333465 } }, { "source": "CID:515328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "fdcyd-clofarabine similarity", "source_label": "fdcyd", "target_label": "clofarabine", "cosine_similarity": 0.7040025591850281 } }, { "source": "CID:11450633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "alogliptin-SB-683698 similarity", "source_label": "alogliptin", "target_label": "SB-683698", "cosine_similarity": 0.3420735597610473 } }, { "source": "CID:2145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "aminoglutethimide-arbutin similarity", "source_label": "aminoglutethimide", "target_label": "arbutin", "cosine_similarity": 0.4363734722137451 } }, { "source": "CID:2819993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "P-5091-AG-957 similarity", "source_label": "P-5091", "target_label": "AG-957", "cosine_similarity": 0.3879261910915375 } }, { "source": "CID:46861623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "AZD-9668-pravastatin similarity", "source_label": "AZD-9668", "target_label": "pravastatin", "cosine_similarity": 0.4917232096195221 } }, { "source": "CID:3826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "ketorolac-aliskiren similarity", "source_label": "ketorolac", "target_label": "aliskiren", "cosine_similarity": 0.4874518513679504 } }, { "source": "CID:5775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "phentolamine-rutin similarity", "source_label": "phentolamine", "target_label": "rutin", "cosine_similarity": 0.2780675292015075 } }, { "source": "CID:5288600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135400439", "properties": { "id": "IC-261-KF-38789 similarity", "source_label": "IC-261", "target_label": "KF-38789", "cosine_similarity": 0.5911394357681274 } }, { "source": "CID:4342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60910", "properties": { "id": "acecainide-mifobate similarity", "source_label": "acecainide", "target_label": "mifobate", "cosine_similarity": 0.3195950984954834 } }, { "source": "CID:44093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2063", "properties": { "id": "captopril-tyrphostin-1 similarity", "source_label": "captopril", "target_label": "tyrphostin-1", "cosine_similarity": 0.2067216038703918 } }, { "source": "CID:44484501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505239", "properties": { "id": "SA-244466-SA-419021 similarity", "source_label": "SA-244466", "target_label": "SA-419021", "cosine_similarity": 0.2207260131835937 } }, { "source": "CID:124007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "CP-93129-tenoxicam similarity", "source_label": "CP-93129", "target_label": "tenoxicam", "cosine_similarity": 0.2537588477134704 } }, { "source": "CID:5905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "idoxuridine-pipenzolate similarity", "source_label": "idoxuridine", "target_label": "pipenzolate", "cosine_similarity": 0.1919635981321334 } }, { "source": "CID:187079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2040", "properties": { "id": "EMD-53998-afloqualone similarity", "source_label": "EMD-53998", "target_label": "afloqualone", "cosine_similarity": 0.2823583483695984 } }, { "source": "CID:18755269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "SDZ-WAG-994-BG-STK33-03 similarity", "source_label": "SDZ-WAG-994", "target_label": "BG-STK33-03", "cosine_similarity": 0.2342273145914077 } }, { "source": "CID:5284513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "acitretin-tretinoin similarity", "source_label": "acitretin", "target_label": "tretinoin", "cosine_similarity": 0.3562890589237213 } }, { "source": "CID:4452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "nemonapride-clofibric-acid similarity", "source_label": "nemonapride", "target_label": "clofibric-acid", "cosine_similarity": 0.5736133456230164 } }, { "source": "CID:870371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "STK-222600-FTI-276 similarity", "source_label": "STK-222600", "target_label": "FTI-276", "cosine_similarity": 0.2749730944633484 } }, { "source": "CID:150311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "ezetimibe-RS-17053 similarity", "source_label": "ezetimibe", "target_label": "RS-17053", "cosine_similarity": 0.4633505940437317 } }, { "source": "CID:2951859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "DAC-009-darinaparsin similarity", "source_label": "DAC-009", "target_label": "darinaparsin", "cosine_similarity": 0.4198732674121856 } }, { "source": "CID:44483163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19582717", "properties": { "id": "endo-IWR-1-CHEMBL-1222381 similarity", "source_label": "endo-IWR-1", "target_label": "CHEMBL-1222381", "cosine_similarity": 0.3546570241451263 } }, { "source": "CID:53347979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "BG-STK33-03-TUL_XIX003 similarity", "source_label": "BG-STK33-03", "target_label": "TUL_XIX003", "cosine_similarity": 0.5734400749206543 } }, { "source": "CID:72124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "siguazodan-nemonapride similarity", "source_label": "siguazodan", "target_label": "nemonapride", "cosine_similarity": 0.3647393882274627 } }, { "source": "CID:3385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "fluorouracil-teniposide similarity", "source_label": "fluorouracil", "target_label": "teniposide", "cosine_similarity": 0.4053366780281067 } }, { "source": "CID:9690109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4633", "properties": { "id": "armodafinil-oxybuprocaine similarity", "source_label": "armodafinil", "target_label": "oxybuprocaine", "cosine_similarity": 0.3609063327312469 } }, { "source": "CID:73707439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:770820", "properties": { "id": "YL-55-O-3M3FBS similarity", "source_label": "YL-55", "target_label": "O-3M3FBS", "cosine_similarity": 0.2743206918239593 } }, { "source": "CID:5090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "rofecoxib-TAK-715 similarity", "source_label": "rofecoxib", "target_label": "TAK-715", "cosine_similarity": 0.263824999332428 } }, { "source": "CID:3371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "flufenamic-acid-GDC-0199 similarity", "source_label": "flufenamic-acid", "target_label": "GDC-0199", "cosine_similarity": 0.2762764096260071 } }, { "source": "CID:3463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "gemfibrozil-dienestrol similarity", "source_label": "gemfibrozil", "target_label": "dienestrol", "cosine_similarity": 0.5426844358444214 } }, { "source": "CID:2685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "CGP-20712-raloxifene similarity", "source_label": "CGP-20712", "target_label": "raloxifene", "cosine_similarity": 0.2894637286663055 } }, { "source": "CID:5941539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "SU-1498-RAF-265 similarity", "source_label": "SU-1498", "target_label": "RAF-265", "cosine_similarity": 0.3555580079555511 } }, { "source": "CID:2680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "cetraxate-diazoxide similarity", "source_label": "cetraxate", "target_label": "diazoxide", "cosine_similarity": 0.2861858606338501 } }, { "source": "CID:4429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "naltriben-ketotifen similarity", "source_label": "naltriben", "target_label": "ketotifen", "cosine_similarity": 0.2589593231678009 } }, { "source": "CID:5926218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "RG-14620-iniparib similarity", "source_label": "RG-14620", "target_label": "iniparib", "cosine_similarity": 0.2813740968704223 } }, { "source": "CID:4641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "oxyphenbutazone-F-1566-0341 similarity", "source_label": "oxyphenbutazone", "target_label": "F-1566-0341", "cosine_similarity": 0.5389000773429871 } }, { "source": "CID:299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "kepone-I-606061 similarity", "source_label": "kepone", "target_label": "I-606061", "cosine_similarity": 0.3112680912017822 } }, { "source": "CID:54671008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "raltegravir-iguratimod similarity", "source_label": "raltegravir", "target_label": "iguratimod", "cosine_similarity": 0.4174896776676178 } }, { "source": "CID:9853053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "lomitapide-loperamide similarity", "source_label": "lomitapide", "target_label": "loperamide", "cosine_similarity": 0.277375727891922 } }, { "source": "CID:5191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659840", "properties": { "id": "SDZ-205-557-vesamicol similarity", "source_label": "SDZ-205-557", "target_label": "vesamicol", "cosine_similarity": 0.236197680234909 } }, { "source": "CID:393595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "MRS-1220-NSC-95397 similarity", "source_label": "MRS-1220", "target_label": "NSC-95397", "cosine_similarity": 0.5562452077865601 } }, { "source": "CID:91522200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "benidipine-BMS-754807 similarity", "source_label": "benidipine", "target_label": "BMS-754807", "cosine_similarity": 0.2374179661273956 } }, { "source": "CID:2125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "AM-251-SGI-1776 similarity", "source_label": "AM-251", "target_label": "SGI-1776", "cosine_similarity": 0.2621521055698395 } }, { "source": "CID:6328608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11539025", "properties": { "id": "abacavir-LY-2228820 similarity", "source_label": "abacavir", "target_label": "LY-2228820", "cosine_similarity": 0.3146035373210907 } }, { "source": "CID:4988454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25031915", "properties": { "id": "Z160-lucitanib similarity", "source_label": "Z160", "target_label": "lucitanib", "cosine_similarity": 0.2603253722190857 } }, { "source": "CID:91896203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "ST-4070169-EMF-sumo1-11 similarity", "source_label": "ST-4070169", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.2631548345088959 } }, { "source": "CID:5466054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2369", "properties": { "id": "ST-208960-betaxolol similarity", "source_label": "ST-208960", "target_label": "betaxolol", "cosine_similarity": 0.2706859707832336 } }, { "source": "CID:129009888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "ursodiol-clofibric-acid similarity", "source_label": "ursodiol", "target_label": "clofibric-acid", "cosine_similarity": 0.4203569889068603 } }, { "source": "CID:3970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127404", "properties": { "id": "LY-278584-isamoltane similarity", "source_label": "LY-278584", "target_label": "isamoltane", "cosine_similarity": 0.2346996814012527 } }, { "source": "CID:65664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "artesunate-TPCA-1 similarity", "source_label": "artesunate", "target_label": "TPCA-1", "cosine_similarity": 0.480919748544693 } }, { "source": "CID:5994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "progesterone-hydrocortisone similarity", "source_label": "progesterone", "target_label": "hydrocortisone", "cosine_similarity": 0.3914147019386291 } }, { "source": "CID:5353760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4754", "properties": { "id": "methoprene-acid-phenacetin similarity", "source_label": "methoprene-acid", "target_label": "phenacetin", "cosine_similarity": 0.2338949888944625 } }, { "source": "CID:72199292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "ETP-46464-PI-103 similarity", "source_label": "ETP-46464", "target_label": "PI-103", "cosine_similarity": 0.4781679809093475 } }, { "source": "CID:5952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707370", "properties": { "id": "deoxycorticosterone-acetate-TUL-XVIII076 similarity", "source_label": "deoxycorticosterone-acetate", "target_label": "TUL-XVIII076", "cosine_similarity": 0.1983843892812729 } }, { "source": "CID:51038269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "GZD-824-pelitinib similarity", "source_label": "GZD-824", "target_label": "pelitinib", "cosine_similarity": 0.5074235200881958 } }, { "source": "CID:135419190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "AG-879-COL-3 similarity", "source_label": "AG-879", "target_label": "COL-3", "cosine_similarity": 0.6636661291122437 } }, { "source": "CID:60187611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707399", "properties": { "id": "SA-1939838-SA-1458571 similarity", "source_label": "SA-1939838", "target_label": "SA-1458571", "cosine_similarity": 0.4041982591152191 } }, { "source": "CID:5328807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "tyrphostin-51-APO-866 similarity", "source_label": "tyrphostin-51", "target_label": "APO-866", "cosine_similarity": 0.2727894186973572 } }, { "source": "CID:2690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CGS-15943-EMF-sumo1-39 similarity", "source_label": "CGS-15943", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4940556287765503 } }, { "source": "CID:45100448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "ML-179-linifanib similarity", "source_label": "ML-179", "target_label": "linifanib", "cosine_similarity": 0.4713746309280395 } }, { "source": "CID:5584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "trimipramine-DL-PDMP similarity", "source_label": "trimipramine", "target_label": "DL-PDMP", "cosine_similarity": 0.4856601059436798 } }, { "source": "CID:15331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931242", "properties": { "id": "daminozide-UNC-669 similarity", "source_label": "daminozide", "target_label": "UNC-669", "cosine_similarity": 0.4529699087142944 } }, { "source": "CID:5282226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "travoprost-latanoprost similarity", "source_label": "travoprost", "target_label": "latanoprost", "cosine_similarity": 0.5103945732116699 } }, { "source": "CID:5379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "gatifloxacin-lorazepam similarity", "source_label": "gatifloxacin", "target_label": "lorazepam", "cosine_similarity": 0.4530684649944305 } }, { "source": "CID:1043828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "ST-4066738-ALW-II-49-7 similarity", "source_label": "ST-4066738", "target_label": "ALW-II-49-7", "cosine_similarity": 0.178646445274353 } }, { "source": "CID:5014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "QX-222-FTI-276 similarity", "source_label": "QX-222", "target_label": "FTI-276", "cosine_similarity": 0.2494453489780426 } }, { "source": "CID:54658965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914273", "properties": { "id": "SA-1456352-dantrolene similarity", "source_label": "SA-1456352", "target_label": "dantrolene", "cosine_similarity": 0.2501894533634186 } }, { "source": "CID:54657741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668348", "properties": { "id": "SA-1456039-SA-1922975 similarity", "source_label": "SA-1456039", "target_label": "SA-1922975", "cosine_similarity": 0.3170569837093353 } }, { "source": "CID:17756791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "Ro-08-2750-mebendazole similarity", "source_label": "Ro-08-2750", "target_label": "mebendazole", "cosine_similarity": 0.2730836570262909 } }, { "source": "CID:3845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "kynurenic-acid-vinpocetine similarity", "source_label": "kynurenic-acid", "target_label": "vinpocetine", "cosine_similarity": 0.2425555884838104 } }, { "source": "CID:2474", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "bupivacaine-diphenidol similarity", "source_label": "bupivacaine", "target_label": "diphenidol", "cosine_similarity": 0.4448508620262146 } }, { "source": "CID:574780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "BD-1063-NNC-711 similarity", "source_label": "BD-1063", "target_label": "NNC-711", "cosine_similarity": 0.3202333748340606 } }, { "source": "CID:1317466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SJ-172550-BMS-191011 similarity", "source_label": "SJ-172550", "target_label": "BMS-191011", "cosine_similarity": 0.4818090200424194 } }, { "source": "CID:3035842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "immepip-gabexate similarity", "source_label": "immepip", "target_label": "gabexate", "cosine_similarity": 0.2885210216045379 } }, { "source": "CID:2266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4632", "properties": { "id": "azelaic-acid-oxybenzone similarity", "source_label": "azelaic-acid", "target_label": "oxybenzone", "cosine_similarity": 0.3691747784614563 } }, { "source": "CID:4688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "pargyline-marbofloxacin similarity", "source_label": "pargyline", "target_label": "marbofloxacin", "cosine_similarity": 0.3394554853439331 } }, { "source": "CID:4829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66577006", "properties": { "id": "pioglitazone-KIN001-270 similarity", "source_label": "pioglitazone", "target_label": "KIN001-270", "cosine_similarity": 0.3455166220664978 } }, { "source": "CID:44507332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506630", "properties": { "id": "SA-247714-SA-247384 similarity", "source_label": "SA-247714", "target_label": "SA-247384", "cosine_similarity": 0.6218317747116089 } }, { "source": "CID:46742354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "VU-0418947-2-VU-0418939-2 similarity", "source_label": "VU-0418947-2", "target_label": "VU-0418939-2", "cosine_similarity": 0.9040504097938538 } }, { "source": "CID:54614981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-426799-SA-1920722 similarity", "source_label": "SA-426799", "target_label": "SA-1920722", "cosine_similarity": 0.2130376249551773 } }, { "source": "CID:44616599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613929", "properties": { "id": "SA-427636-SA-243276 similarity", "source_label": "SA-427636", "target_label": "SA-243276", "cosine_similarity": 0.2718130946159363 } }, { "source": "CID:73707364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "I-212148-gossypin similarity", "source_label": "I-212148", "target_label": "gossypin", "cosine_similarity": 0.2524015605449676 } }, { "source": "CID:3081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4855", "properties": { "id": "dimethadione-piromidic-acid similarity", "source_label": "dimethadione", "target_label": "piromidic-acid", "cosine_similarity": 0.2216253131628036 } }, { "source": "CID:2446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "bromopride-iodoquinol similarity", "source_label": "bromopride", "target_label": "iodoquinol", "cosine_similarity": 0.3136104345321655 } }, { "source": "CID:445580", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "doconexent-NSC-632839 similarity", "source_label": "doconexent", "target_label": "NSC-632839", "cosine_similarity": 0.5033426284790039 } }, { "source": "CID:4037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "meclofenamic-acid-L-ergothioneine similarity", "source_label": "meclofenamic-acid", "target_label": "L-ergothioneine", "cosine_similarity": 0.7753871083259583 } }, { "source": "CID:219271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "EBPC-roquinimex similarity", "source_label": "EBPC", "target_label": "roquinimex", "cosine_similarity": 0.3001631796360016 } }, { "source": "CID:45115620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708684", "properties": { "id": "VU-0413807-2-scopoline similarity", "source_label": "VU-0413807-2", "target_label": "scopoline", "cosine_similarity": 0.2525647580623626 } }, { "source": "CID:42636535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "A-66-ZSTK-474 similarity", "source_label": "A-66", "target_label": "ZSTK-474", "cosine_similarity": 0.3875065147876739 } }, { "source": "CID:14520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "citiolone-meclofenamic-acid similarity", "source_label": "citiolone", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2790766358375549 } }, { "source": "CID:46224413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "PF-03084014-clofibric-acid similarity", "source_label": "PF-03084014", "target_label": "clofibric-acid", "cosine_similarity": 0.4892337620258331 } }, { "source": "CID:446284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "icosapent-gatifloxacin similarity", "source_label": "icosapent", "target_label": "gatifloxacin", "cosine_similarity": 0.2255470752716064 } }, { "source": "CID:15096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:906542", "properties": { "id": "tributyltin-STK-249718 similarity", "source_label": "tributyltin", "target_label": "STK-249718", "cosine_similarity": 0.269135445356369 } }, { "source": "CID:3853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "L-745870-gossypin similarity", "source_label": "L-745870", "target_label": "gossypin", "cosine_similarity": 0.2240542024374008 } }, { "source": "CID:73707447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2724385", "properties": { "id": "lanatoside-c-digoxin similarity", "source_label": "lanatoside-c", "target_label": "digoxin", "cosine_similarity": 0.5890436768531799 } }, { "source": "CID:78357816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "VT-464-granisetron similarity", "source_label": "VT-464", "target_label": "granisetron", "cosine_similarity": 0.36097252368927 } }, { "source": "CID:68085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2878746", "properties": { "id": "dictamnine-STK-064652 similarity", "source_label": "dictamnine", "target_label": "STK-064652", "cosine_similarity": 0.3740045130252838 } }, { "source": "CID:1392066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "MW-STK33-100-BG-STK33-03 similarity", "source_label": "MW-STK33-100", "target_label": "BG-STK33-03", "cosine_similarity": 0.861095666885376 } }, { "source": "CID:6610267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "EI-231-PKCbeta-inhibitor similarity", "source_label": "EI-231", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.3852589130401611 } }, { "source": "CID:44607587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602378", "properties": { "id": "KU-C104141-KU-C104129 similarity", "source_label": "KU-C104141", "target_label": "KU-C104129", "cosine_similarity": 0.2684696912765503 } }, { "source": "CID:53377448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "ML-281-BG-STK33-03 similarity", "source_label": "ML-281", "target_label": "BG-STK33-03", "cosine_similarity": 0.3487923443317413 } }, { "source": "CID:2775510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "wiskostatin-NTNCB similarity", "source_label": "wiskostatin", "target_label": "NTNCB", "cosine_similarity": 0.5536308288574219 } }, { "source": "CID:49867936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11556711", "properties": { "id": "MLN-9708-carfilzomib similarity", "source_label": "MLN-9708", "target_label": "carfilzomib", "cosine_similarity": 0.5368666648864746 } }, { "source": "CID:48229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "talniflumate-pifithrin-mu similarity", "source_label": "talniflumate", "target_label": "pifithrin-mu", "cosine_similarity": 0.2242234945297241 } }, { "source": "CID:145659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "sinensetin-triptolide similarity", "source_label": "sinensetin", "target_label": "triptolide", "cosine_similarity": 0.2600038349628448 } }, { "source": "CID:54667012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-1920327-SA-1939915 similarity", "source_label": "SA-1920327", "target_label": "SA-1939915", "cosine_similarity": 0.2301189005374908 } }, { "source": "CID:5336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "sulfapyridine-SA-427543 similarity", "source_label": "sulfapyridine", "target_label": "SA-427543", "cosine_similarity": 0.2944096624851227 } }, { "source": "CID:135400439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4622", "properties": { "id": "KF-38789-oxibendazole similarity", "source_label": "KF-38789", "target_label": "oxibendazole", "cosine_similarity": 0.5146152973175049 } }, { "source": "CID:46869951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4583", "properties": { "id": "VU-0400193-3-ofloxacin similarity", "source_label": "VU-0400193-3", "target_label": "ofloxacin", "cosine_similarity": 0.2642721831798553 } }, { "source": "CID:456201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9705", "properties": { "id": "ketoconazole-AY-9944 similarity", "source_label": "ketoconazole", "target_label": "AY-9944", "cosine_similarity": 0.2760325372219085 } }, { "source": "CID:159594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010025", "properties": { "id": "atrasentan-azithromycin similarity", "source_label": "atrasentan", "target_label": "azithromycin", "cosine_similarity": 0.2645197510719299 } }, { "source": "CID:219271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "EBPC-dipyridamole similarity", "source_label": "EBPC", "target_label": "dipyridamole", "cosine_similarity": 0.2887752652168274 } }, { "source": "CID:54657141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505239", "properties": { "id": "SA-1462678-SA-419021 similarity", "source_label": "SA-1462678", "target_label": "SA-419021", "cosine_similarity": 0.3121865689754486 } }, { "source": "CID:42008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361202", "properties": { "id": "cefmetazole-cefuroxime similarity", "source_label": "cefmetazole", "target_label": "cefuroxime", "cosine_similarity": 0.2001333087682724 } }, { "source": "CID:2713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "chlorhexidine-I-505056 similarity", "source_label": "chlorhexidine", "target_label": "I-505056", "cosine_similarity": 0.4999480545520782 } }, { "source": "CID:4932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "propafenone-oxaprozin similarity", "source_label": "propafenone", "target_label": "oxaprozin", "cosine_similarity": 0.2830250561237335 } }, { "source": "CID:6610268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "berbamine-STA-5326 similarity", "source_label": "berbamine", "target_label": "STA-5326", "cosine_similarity": 0.5736941695213318 } }, { "source": "CID:17134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "sulfadoxine-roflumilast similarity", "source_label": "sulfadoxine", "target_label": "roflumilast", "cosine_similarity": 0.312082439661026 } }, { "source": "CID:29985980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "norgestrel-milnacipran similarity", "source_label": "norgestrel", "target_label": "milnacipran", "cosine_similarity": 0.3911864459514618 } }, { "source": "CID:107992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "MK-212-gliclazide similarity", "source_label": "MK-212", "target_label": "gliclazide", "cosine_similarity": 0.6444416642189026 } }, { "source": "CID:24747210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "PSH-027-TUL-XX023 similarity", "source_label": "PSH-027", "target_label": "TUL-XX023", "cosine_similarity": 0.3248867392539978 } }, { "source": "CID:2576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6839", "properties": { "id": "carisoprodol-phensuximide similarity", "source_label": "carisoprodol", "target_label": "phensuximide", "cosine_similarity": 0.2469308525323867 } }, { "source": "CID:68911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "artemether-piperacillin similarity", "source_label": "artemether", "target_label": "piperacillin", "cosine_similarity": 0.2677187919616699 } }, { "source": "CID:10168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2482", "properties": { "id": "rhein-butamben similarity", "source_label": "rhein", "target_label": "butamben", "cosine_similarity": 0.3384885787963867 } }, { "source": "CID:2116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "alpha-tocopherol-DAC-013 similarity", "source_label": "alpha-tocopherol", "target_label": "DAC-013", "cosine_similarity": 0.3780204951763153 } }, { "source": "CID:123606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "almotriptan-cinchophen similarity", "source_label": "almotriptan", "target_label": "cinchophen", "cosine_similarity": 0.5619217157363892 } }, { "source": "CID:151194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "vatalanib-lasalocid similarity", "source_label": "vatalanib", "target_label": "lasalocid", "cosine_similarity": 0.2078564018011093 } }, { "source": "CID:25226117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:69923936", "properties": { "id": "HG-5-88-01-JW-7-24-1 similarity", "source_label": "HG-5-88-01", "target_label": "JW-7-24-1", "cosine_similarity": 0.3721903860569 } }, { "source": "CID:3332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2377", "properties": { "id": "felbinac-bifemelane similarity", "source_label": "felbinac", "target_label": "bifemelane", "cosine_similarity": 0.4354352653026581 } }, { "source": "CID:25254071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "GDC-0980-PI-103 similarity", "source_label": "GDC-0980", "target_label": "PI-103", "cosine_similarity": 0.7692649364471436 } }, { "source": "CID:66558664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "E-7438-DL-PDMP similarity", "source_label": "E-7438", "target_label": "DL-PDMP", "cosine_similarity": 0.4129818975925445 } }, { "source": "CID:444029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "colforsin-daproate-ibutamoren similarity", "source_label": "colforsin-daproate", "target_label": "ibutamoren", "cosine_similarity": 0.2426157146692276 } }, { "source": "CID:3948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "lomefloxacin-phenyl-aminosalicylate similarity", "source_label": "lomefloxacin", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.3846933245658874 } }, { "source": "CID:44490413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "SA-432998-Y-27632 similarity", "source_label": "SA-432998", "target_label": "Y-27632", "cosine_similarity": 0.3232986330986023 } }, { "source": "CID:60823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "atorvastatin-trifluoperazine similarity", "source_label": "atorvastatin", "target_label": "trifluoperazine", "cosine_similarity": 0.5984228849411011 } }, { "source": "CID:9844347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "CFM-1571-promazine similarity", "source_label": "CFM-1571", "target_label": "promazine", "cosine_similarity": 0.3739922046661377 } }, { "source": "CID:442544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:235382", "properties": { "id": "tremulacin-SIB-1893 similarity", "source_label": "tremulacin", "target_label": "SIB-1893", "cosine_similarity": 0.28724205493927 } }, { "source": "CID:42760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "olvanil-z-leu3-VS similarity", "source_label": "olvanil", "target_label": "z-leu3-VS", "cosine_similarity": 0.2913538813591003 } }, { "source": "CID:11973736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604918", "properties": { "id": "TG-100801-YM-976 similarity", "source_label": "TG-100801", "target_label": "YM-976", "cosine_similarity": 0.4723954200744629 } }, { "source": "CID:4486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68591", "properties": { "id": "nifekalant-toltrazuril similarity", "source_label": "nifekalant", "target_label": "toltrazuril", "cosine_similarity": 0.2458637207746505 } }, { "source": "CID:6603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "pempidine-mirtazapine similarity", "source_label": "pempidine", "target_label": "mirtazapine", "cosine_similarity": 0.2039692550897598 } }, { "source": "CID:42890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "idarubicin-SN-38 similarity", "source_label": "idarubicin", "target_label": "SN-38", "cosine_similarity": 0.7940440773963928 } }, { "source": "CID:9934458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11960529", "properties": { "id": "GW-0742-veliparib similarity", "source_label": "GW-0742", "target_label": "veliparib", "cosine_similarity": 0.2294147610664367 } }, { "source": "CID:44602405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16126782", "properties": { "id": "KU-C104132-HNHA similarity", "source_label": "KU-C104132", "target_label": "HNHA", "cosine_similarity": 0.2116358280181884 } }, { "source": "CID:16112820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3568", "properties": { "id": "neurodazine-EI-273 similarity", "source_label": "neurodazine", "target_label": "EI-273", "cosine_similarity": 0.3042126893997192 } }, { "source": "CID:2471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "bumetanide-SB-683698 similarity", "source_label": "bumetanide", "target_label": "SB-683698", "cosine_similarity": 0.4299702048301697 } }, { "source": "CID:10831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "diperodon-flumethasone-pivalate similarity", "source_label": "diperodon", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.3388704061508178 } }, { "source": "CID:6450813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11224409", "properties": { "id": "indiplon-radezolid similarity", "source_label": "indiplon", "target_label": "radezolid", "cosine_similarity": 0.2658543288707733 } }, { "source": "CID:44620657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666597", "properties": { "id": "SA-424233-SA-1920890 similarity", "source_label": "SA-424233", "target_label": "SA-1920890", "cosine_similarity": 0.2599171698093414 } }, { "source": "CID:5280360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610344", "properties": { "id": "dinoprostone-forskolin similarity", "source_label": "dinoprostone", "target_label": "forskolin", "cosine_similarity": 0.7943465113639832 } }, { "source": "CID:182585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "MDL-72832-amifostine similarity", "source_label": "MDL-72832", "target_label": "amifostine", "cosine_similarity": 0.2018028497695922 } }, { "source": "CID:2820381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "KM-03949SC-tyrphostin-A9 similarity", "source_label": "KM-03949SC", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5494109392166138 } }, { "source": "CID:6918852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "R-547-AZD-5438 similarity", "source_label": "R-547", "target_label": "AZD-5438", "cosine_similarity": 0.611828088760376 } }, { "source": "CID:44219749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "WYE-354-KU-0063794 similarity", "source_label": "WYE-354", "target_label": "KU-0063794", "cosine_similarity": 0.775840163230896 } }, { "source": "CID:8567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "meglumine-MW-MITF24 similarity", "source_label": "meglumine", "target_label": "MW-MITF24", "cosine_similarity": 0.2107930183410644 } }, { "source": "CID:72201027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "SGC-CBP30-I-BET-762 similarity", "source_label": "SGC-CBP30", "target_label": "I-BET-762", "cosine_similarity": 0.4165868163108825 } }, { "source": "CID:936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "nicotinamide-minoxidil similarity", "source_label": "nicotinamide", "target_label": "minoxidil", "cosine_similarity": 0.3838024139404297 } }, { "source": "CID:5702107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "prednisolone-acetate-dexamethasone similarity", "source_label": "prednisolone-acetate", "target_label": "dexamethasone", "cosine_similarity": 0.3408933579921722 } }, { "source": "CID:54658402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SA-1458026-SA-1458689 similarity", "source_label": "SA-1458026", "target_label": "SA-1458689", "cosine_similarity": 0.3335023820400238 } }, { "source": "CID:54660081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "SA-1456859-rolipram similarity", "source_label": "SA-1456859", "target_label": "rolipram", "cosine_similarity": 0.3256679773330688 } }, { "source": "CID:3765615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132252", "properties": { "id": "L-152804-CGP-52432 similarity", "source_label": "L-152804", "target_label": "CGP-52432", "cosine_similarity": 0.303571492433548 } }, { "source": "CID:18721", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "apigenin-AG-14361 similarity", "source_label": "apigenin", "target_label": "AG-14361", "cosine_similarity": 0.7396798133850098 } }, { "source": "CID:3518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "guanethidine-lamivudine similarity", "source_label": "guanethidine", "target_label": "lamivudine", "cosine_similarity": 0.2627283930778503 } }, { "source": "CID:72947410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "MD-II-051-thiostrepton similarity", "source_label": "MD-II-051", "target_label": "thiostrepton", "cosine_similarity": 0.7697839736938477 } }, { "source": "CID:54657607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "SA-1459234-AG-592 similarity", "source_label": "SA-1459234", "target_label": "AG-592", "cosine_similarity": 0.1825998425483703 } }, { "source": "CID:11561674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "apremilast-terbinafine similarity", "source_label": "apremilast", "target_label": "terbinafine", "cosine_similarity": 0.3267400562763214 } }, { "source": "CID:6435901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "linoleamide-lenalidomide similarity", "source_label": "linoleamide", "target_label": "lenalidomide", "cosine_similarity": 0.2911184728145599 } }, { "source": "CID:4173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9924495", "properties": { "id": "metronidazole-perampanel similarity", "source_label": "metronidazole", "target_label": "perampanel", "cosine_similarity": 0.4305183887481689 } }, { "source": "CID:15096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "tributyltin-withaferin-a similarity", "source_label": "tributyltin", "target_label": "withaferin-a", "cosine_similarity": 0.2763533592224121 } }, { "source": "CID:5411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "tetracaine-Y-26763 similarity", "source_label": "tetracaine", "target_label": "Y-26763", "cosine_similarity": 0.3585681617259979 } }, { "source": "CID:5360807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "lasalocid-tetrahydrouridine similarity", "source_label": "lasalocid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.795877993106842 } }, { "source": "CID:442195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "cephaeline-verrucarin-a similarity", "source_label": "cephaeline", "target_label": "verrucarin-a", "cosine_similarity": 0.8558711409568787 } }, { "source": "CID:9829523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "midostaurin-wortmannin similarity", "source_label": "midostaurin", "target_label": "wortmannin", "cosine_similarity": 0.4721283316612243 } }, { "source": "CID:44187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33572", "properties": { "id": "cefoperazone-ritodrine similarity", "source_label": "cefoperazone", "target_label": "ritodrine", "cosine_similarity": 0.3937520384788513 } }, { "source": "CID:3343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22049997", "properties": { "id": "fenoterol-PH-797804 similarity", "source_label": "fenoterol", "target_label": "PH-797804", "cosine_similarity": 0.3455759882926941 } }, { "source": "CID:45281798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "VU-0365118-1-vincristine similarity", "source_label": "VU-0365118-1", "target_label": "vincristine", "cosine_similarity": 0.4032071828842163 } }, { "source": "CID:73157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23789069", "properties": { "id": "lobaric-acid-nitrarine similarity", "source_label": "lobaric-acid", "target_label": "nitrarine", "cosine_similarity": 0.2166272103786468 } }, { "source": "CID:6623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "bisphenol-a-bithionol similarity", "source_label": "bisphenol-a", "target_label": "bithionol", "cosine_similarity": 0.3772275745868683 } }, { "source": "CID:4084010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10172943", "properties": { "id": "EMF-sumo1-1-A-443654 similarity", "source_label": "EMF-sumo1-1", "target_label": "A-443654", "cosine_similarity": 0.2745342850685119 } }, { "source": "CID:4066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "levomequitazine-GSK-J2 similarity", "source_label": "levomequitazine", "target_label": "GSK-J2", "cosine_similarity": 0.2929696142673492 } }, { "source": "CID:5501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4250", "properties": { "id": "todralazine-morantel similarity", "source_label": "todralazine", "target_label": "morantel", "cosine_similarity": 0.2575123608112335 } }, { "source": "CID:54669344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "SA-1919667-camicinal similarity", "source_label": "SA-1919667", "target_label": "camicinal", "cosine_similarity": 0.2877557277679443 } }, { "source": "CID:54657711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "SA-1456751-CV-1808 similarity", "source_label": "SA-1456751", "target_label": "CV-1808", "cosine_similarity": 0.3177167475223541 } }, { "source": "CID:5280961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135411", "properties": { "id": "genistein-CD-437 similarity", "source_label": "genistein", "target_label": "CD-437", "cosine_similarity": 0.4010331034660339 } }, { "source": "CID:135539077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "NVP-AUY922-tanespimycin similarity", "source_label": "NVP-AUY922", "target_label": "tanespimycin", "cosine_similarity": 0.9203543663024902 } }, { "source": "CID:51081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "pefloxacin-SMER-28 similarity", "source_label": "pefloxacin", "target_label": "SMER-28", "cosine_similarity": 0.2404156476259231 } }, { "source": "CID:72301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "rotundine-gimeracil similarity", "source_label": "rotundine", "target_label": "gimeracil", "cosine_similarity": 0.5140773057937622 } }, { "source": "CID:54654435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-1472702-FTI-276 similarity", "source_label": "SA-1472702", "target_label": "FTI-276", "cosine_similarity": 0.4148465096950531 } }, { "source": "CID:9865515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "mocetinostat-BG-1024 similarity", "source_label": "mocetinostat", "target_label": "BG-1024", "cosine_similarity": 0.5301944017410278 } }, { "source": "CID:2691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "CGS-21680-lorazepam similarity", "source_label": "CGS-21680", "target_label": "lorazepam", "cosine_similarity": 0.5150719285011292 } }, { "source": "CID:9429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71360", "properties": { "id": "thioproperazine-iloperidone similarity", "source_label": "thioproperazine", "target_label": "iloperidone", "cosine_similarity": 0.2389448136091232 } }, { "source": "CID:65944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3001077", "properties": { "id": "pidotimod-fusidic-acid similarity", "source_label": "pidotimod", "target_label": "fusidic-acid", "cosine_similarity": 0.3740095198154449 } }, { "source": "CID:73707372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "PP-30-BMS-754807 similarity", "source_label": "PP-30", "target_label": "BMS-754807", "cosine_similarity": 0.5879813432693481 } }, { "source": "CID:73707476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1054", "properties": { "id": "pivampicillin-pyridoxine similarity", "source_label": "pivampicillin", "target_label": "pyridoxine", "cosine_similarity": 0.2212899178266525 } }, { "source": "CID:5202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "serotonin-BMS-641988 similarity", "source_label": "serotonin", "target_label": "BMS-641988", "cosine_similarity": 0.5939497351646423 } }, { "source": "CID:3816756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "AT-SUMO-1-K784-3188 similarity", "source_label": "AT-SUMO-1", "target_label": "K784-3188", "cosine_similarity": 0.6927633881568909 } }, { "source": "CID:54666567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-1922261-SA-419010 similarity", "source_label": "SA-1922261", "target_label": "SA-419010", "cosine_similarity": 0.2253577560186386 } }, { "source": "CID:71183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3683", "properties": { "id": "methscopolamine-ICI-204448 similarity", "source_label": "methscopolamine", "target_label": "ICI-204448", "cosine_similarity": 0.3458648920059204 } }, { "source": "CID:44487597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-440832-SA-97378 similarity", "source_label": "SA-440832", "target_label": "SA-97378", "cosine_similarity": 0.2956601083278656 } }, { "source": "CID:3899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "leflunomide-everolimus similarity", "source_label": "leflunomide", "target_label": "everolimus", "cosine_similarity": 0.3215436637401581 } }, { "source": "CID:4409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "nabumetone-felodipine similarity", "source_label": "nabumetone", "target_label": "felodipine", "cosine_similarity": 0.2905153334140777 } }, { "source": "CID:155774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3162", "properties": { "id": "xamoterol-doxylamine similarity", "source_label": "xamoterol", "target_label": "doxylamine", "cosine_similarity": 0.2024069279432296 } }, { "source": "CID:46885626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "GSK-1070916-STA-5326 similarity", "source_label": "GSK-1070916", "target_label": "STA-5326", "cosine_similarity": 0.4154182970523834 } }, { "source": "CID:9941444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51049968", "properties": { "id": "pasireotide-BMS-927711 similarity", "source_label": "pasireotide", "target_label": "BMS-927711", "cosine_similarity": 0.310391753911972 } }, { "source": "CID:41684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "nitazoxanide-rhodomyrtoxin-b similarity", "source_label": "nitazoxanide", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.5325427651405334 } }, { "source": "CID:6451149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "netupitant-CEP-37440 similarity", "source_label": "netupitant", "target_label": "CEP-37440", "cosine_similarity": 0.3622528910636902 } }, { "source": "CID:10446295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "JNJ-10191584-bucladesine similarity", "source_label": "JNJ-10191584", "target_label": "bucladesine", "cosine_similarity": 0.3221602439880371 } }, { "source": "CID:46869941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "VU-0366037-2-gossypin similarity", "source_label": "VU-0366037-2", "target_label": "gossypin", "cosine_similarity": 0.2432808876037597 } }, { "source": "CID:4135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "methyl-benzethonium-CGP-71683 similarity", "source_label": "methyl-benzethonium", "target_label": "CGP-71683", "cosine_similarity": 0.6319564580917358 } }, { "source": "CID:162834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "fenobam-alaproclate similarity", "source_label": "fenobam", "target_label": "alaproclate", "cosine_similarity": 0.3035853207111358 } }, { "source": "CID:57364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038", "properties": { "id": "carmoxirole-diclofenamide similarity", "source_label": "carmoxirole", "target_label": "diclofenamide", "cosine_similarity": 0.3121511042118072 } }, { "source": "CID:3792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "itopride-marbofloxacin similarity", "source_label": "itopride", "target_label": "marbofloxacin", "cosine_similarity": 0.399834543466568 } }, { "source": "CID:54657708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-1457336-SA-1921816 similarity", "source_label": "SA-1457336", "target_label": "SA-1921816", "cosine_similarity": 0.3321368396282196 } }, { "source": "CID:132475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "GBR-13069-CAM-9-027-3 similarity", "source_label": "GBR-13069", "target_label": "CAM-9-027-3", "cosine_similarity": 0.4216417968273163 } }, { "source": "CID:5013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659840", "properties": { "id": "N-methylquipazine-vesamicol similarity", "source_label": "N-methylquipazine", "target_label": "vesamicol", "cosine_similarity": 0.3086575269699096 } }, { "source": "CID:435678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "HLI-373-triptolide similarity", "source_label": "HLI-373", "target_label": "triptolide", "cosine_similarity": 0.4415703117847442 } }, { "source": "CID:44623840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "KU-C104227-sorafenib similarity", "source_label": "KU-C104227", "target_label": "sorafenib", "cosine_similarity": 0.3104044198989868 } }, { "source": "CID:5702135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "strychnine-CAM-9-021 similarity", "source_label": "strychnine", "target_label": "CAM-9-021", "cosine_similarity": 0.2961580753326416 } }, { "source": "CID:60194076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "MD-II-008-P-BG-FA-0953 similarity", "source_label": "MD-II-008-P", "target_label": "BG-FA-0953", "cosine_similarity": 0.7700278162956238 } }, { "source": "CID:25033539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "PF-04691502-MLN-0128 similarity", "source_label": "PF-04691502", "target_label": "MLN-0128", "cosine_similarity": 0.7501221895217896 } }, { "source": "CID:5479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "tinidazole-gossypin similarity", "source_label": "tinidazole", "target_label": "gossypin", "cosine_similarity": 0.2401923984289169 } }, { "source": "CID:2720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3785", "properties": { "id": "chlorothiazide-itdac-1 similarity", "source_label": "chlorothiazide", "target_label": "itdac-1", "cosine_similarity": 0.1743543446063995 } }, { "source": "CID:10437018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23727689", "properties": { "id": "BMS-599626-almorexant similarity", "source_label": "BMS-599626", "target_label": "almorexant", "cosine_similarity": 0.2799699604511261 } }, { "source": "CID:6604009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "SB-222200-GSK-J2 similarity", "source_label": "SB-222200", "target_label": "GSK-J2", "cosine_similarity": 0.4122185111045837 } }, { "source": "CID:5280805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13711", "properties": { "id": "rutin-torcitabine similarity", "source_label": "rutin", "target_label": "torcitabine", "cosine_similarity": 0.3996075391769409 } }, { "source": "CID:4183496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "EMF-bca1-16-EMF-sumo1-39 similarity", "source_label": "EMF-bca1-16", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.8388797640800476 } }, { "source": "CID:73652146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "ionomycin-thapsigargin similarity", "source_label": "ionomycin", "target_label": "thapsigargin", "cosine_similarity": 0.3014366924762726 } }, { "source": "CID:49766538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "MW-RAS9-marbofloxacin similarity", "source_label": "MW-RAS9", "target_label": "marbofloxacin", "cosine_similarity": 0.2867442071437835 } }, { "source": "CID:2159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "amisulpride-NU-1025 similarity", "source_label": "amisulpride", "target_label": "NU-1025", "cosine_similarity": 0.586604118347168 } }, { "source": "CID:54654430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488994", "properties": { "id": "SA-1463810-SA-89068 similarity", "source_label": "SA-1463810", "target_label": "SA-89068", "cosine_similarity": 0.2246608138084411 } }, { "source": "CID:2747117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "BI-78D3-BCI-hydrochloride similarity", "source_label": "BI-78D3", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.4523307681083679 } }, { "source": "CID:11228183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "ABT-737-sorafenib similarity", "source_label": "ABT-737", "target_label": "sorafenib", "cosine_similarity": 0.5121951699256897 } }, { "source": "CID:73707475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490269", "properties": { "id": "bacampicilline-SA-102787 similarity", "source_label": "bacampicilline", "target_label": "SA-102787", "cosine_similarity": 0.2461264729499817 } }, { "source": "CID:54658771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658205", "properties": { "id": "SA-1459430-SA-1456102 similarity", "source_label": "SA-1459430", "target_label": "SA-1456102", "cosine_similarity": 0.2438808977603912 } }, { "source": "CID:16362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "pimozide-obatoclax similarity", "source_label": "pimozide", "target_label": "obatoclax", "cosine_similarity": 0.477282851934433 } }, { "source": "CID:6450278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707425", "properties": { "id": "GR-235-guggulsterone similarity", "source_label": "GR-235", "target_label": "guggulsterone", "cosine_similarity": 0.3727958500385284 } }, { "source": "CID:5282054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "cerulenin-CT-200783 similarity", "source_label": "cerulenin", "target_label": "CT-200783", "cosine_similarity": 0.7726825475692749 } }, { "source": "CID:412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "nornicotine-lasalocid similarity", "source_label": "nornicotine", "target_label": "lasalocid", "cosine_similarity": 0.3790874779224396 } }, { "source": "CID:5392245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "calycanthine-UNC-0321 similarity", "source_label": "calycanthine", "target_label": "UNC-0321", "cosine_similarity": 0.2869136333465576 } }, { "source": "CID:4552", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "NS-1619-perindopril similarity", "source_label": "NS-1619", "target_label": "perindopril", "cosine_similarity": 0.1689074784517288 } }, { "source": "CID:135413511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68770", "properties": { "id": "tirapazamine-talinolol similarity", "source_label": "tirapazamine", "target_label": "talinolol", "cosine_similarity": 0.2667997479438782 } }, { "source": "CID:139032029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54197", "properties": { "id": "amphotericin-b-ceftazidime similarity", "source_label": "amphotericin-b", "target_label": "ceftazidime", "cosine_similarity": 0.2121677547693252 } }, { "source": "CID:44487898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659817", "properties": { "id": "SA-88642-SA-1460032 similarity", "source_label": "SA-88642", "target_label": "SA-1460032", "cosine_similarity": 0.27585369348526 } }, { "source": "CID:24747183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747193", "properties": { "id": "JAS07-008-JAS07-005 similarity", "source_label": "JAS07-008", "target_label": "JAS07-005", "cosine_similarity": 0.3516657054424286 } }, { "source": "CID:5417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "tetrahydropalmatine-EMF-csc-9 similarity", "source_label": "tetrahydropalmatine", "target_label": "EMF-csc-9", "cosine_similarity": 0.2619198262691498 } }, { "source": "CID:4615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "oxatomide-adenosine similarity", "source_label": "oxatomide", "target_label": "adenosine", "cosine_similarity": 0.4848198592662811 } }, { "source": "CID:6450551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "axitinib-AZ-628 similarity", "source_label": "axitinib", "target_label": "AZ-628", "cosine_similarity": 0.339806467294693 } }, { "source": "CID:2170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "amoxapine-sofalcone similarity", "source_label": "amoxapine", "target_label": "sofalcone", "cosine_similarity": 0.4719094336032867 } }, { "source": "CID:4684627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "RWJ-21757-AC-55649 similarity", "source_label": "RWJ-21757", "target_label": "AC-55649", "cosine_similarity": 0.2902320027351379 } }, { "source": "CID:11511120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "dacomitinib-afatinib similarity", "source_label": "dacomitinib", "target_label": "afatinib", "cosine_similarity": 0.565092146396637 } }, { "source": "CID:831629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "alda-1-PT-630 similarity", "source_label": "alda-1", "target_label": "PT-630", "cosine_similarity": 0.5774088501930237 } }, { "source": "CID:73707549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1010-BG-1016 similarity", "source_label": "BG-1010", "target_label": "BG-1016", "cosine_similarity": 0.5780220627784729 } }, { "source": "CID:328236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "heraclenol-thalidomide similarity", "source_label": "heraclenol", "target_label": "thalidomide", "cosine_similarity": 0.2948507070541382 } }, { "source": "CID:54658965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658669", "properties": { "id": "SA-1456352-SA-1456227 similarity", "source_label": "SA-1456352", "target_label": "SA-1456227", "cosine_similarity": 0.2656219601631164 } }, { "source": "CID:174174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "atropine-furazolidone similarity", "source_label": "atropine", "target_label": "furazolidone", "cosine_similarity": 0.2342029064893722 } }, { "source": "CID:19675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "piperacetazine-darinaparsin similarity", "source_label": "piperacetazine", "target_label": "darinaparsin", "cosine_similarity": 0.3064509928226471 } }, { "source": "CID:5282375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60852", "properties": { "id": "etretinate-ibandronic-acid similarity", "source_label": "etretinate", "target_label": "ibandronic-acid", "cosine_similarity": 0.2117307633161544 } }, { "source": "CID:4417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362119", "properties": { "id": "naftidrofuryl-lisinopril similarity", "source_label": "naftidrofuryl", "target_label": "lisinopril", "cosine_similarity": 0.4959554970264435 } }, { "source": "CID:164509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126388", "properties": { "id": "talampanel-BD-1008 similarity", "source_label": "talampanel", "target_label": "BD-1008", "cosine_similarity": 0.2402672916650772 } }, { "source": "CID:71771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "aceclofenac-iproniazid similarity", "source_label": "aceclofenac", "target_label": "iproniazid", "cosine_similarity": 0.3481667637825012 } }, { "source": "CID:73707436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "YL-52-VU-0366968 similarity", "source_label": "YL-52", "target_label": "VU-0366968", "cosine_similarity": 0.234530970454216 } }, { "source": "CID:46740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56655374", "properties": { "id": "Ro-04-5595-HG-14-10-04 similarity", "source_label": "Ro-04-5595", "target_label": "HG-14-10-04", "cosine_similarity": 0.2215537130832672 } }, { "source": "CID:44602406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640177", "properties": { "id": "KU-C104131-KU-C104491 similarity", "source_label": "KU-C104131", "target_label": "KU-C104491", "cosine_similarity": 0.2676184475421905 } }, { "source": "CID:23844163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "NK42-I-109-1-DM-161 similarity", "source_label": "NK42-I-109-1", "target_label": "DM-161", "cosine_similarity": 0.3089244067668915 } }, { "source": "CID:10405323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "WR-216174-EMF-sumo1-39 similarity", "source_label": "WR-216174", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4924732744693756 } }, { "source": "CID:4822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45489449", "properties": { "id": "pimethixene-VU-0415556-1 similarity", "source_label": "pimethixene", "target_label": "VU-0415556-1", "cosine_similarity": 0.1560870260000229 } }, { "source": "CID:4423767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "STK-674938-Gossypetin similarity", "source_label": "STK-674938", "target_label": "Gossypetin", "cosine_similarity": 0.3836785554885864 } }, { "source": "CID:4477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483329", "properties": { "id": "niclosamide-malonoben similarity", "source_label": "niclosamide", "target_label": "malonoben", "cosine_similarity": 0.8110473155975342 } }, { "source": "CID:1348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "MY-5445-AG-592 similarity", "source_label": "MY-5445", "target_label": "AG-592", "cosine_similarity": 0.2932042479515075 } }, { "source": "CID:3114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "disopyramide-hypericin similarity", "source_label": "disopyramide", "target_label": "hypericin", "cosine_similarity": 0.5191107988357544 } }, { "source": "CID:5286239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "MW-MITF28-SA-427543 similarity", "source_label": "MW-MITF28", "target_label": "SA-427543", "cosine_similarity": 0.3785272538661957 } }, { "source": "CID:2747117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "BI-78D3-parthenolide similarity", "source_label": "BI-78D3", "target_label": "parthenolide", "cosine_similarity": 0.3983108699321747 } }, { "source": "CID:44818131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "diaminoquinazoline-z-leu3-VS similarity", "source_label": "diaminoquinazoline", "target_label": "z-leu3-VS", "cosine_similarity": 0.3449604213237762 } }, { "source": "CID:11784736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "Y-134-GR-127935 similarity", "source_label": "Y-134", "target_label": "GR-127935", "cosine_similarity": 0.5872417092323303 } }, { "source": "CID:5286239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "MW-MITF28-APO-866 similarity", "source_label": "MW-MITF28", "target_label": "APO-866", "cosine_similarity": 0.3932801485061645 } }, { "source": "CID:1189521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "MW-MITF9-darinaparsin similarity", "source_label": "MW-MITF9", "target_label": "darinaparsin", "cosine_similarity": 0.4393328428268432 } }, { "source": "CID:9705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "AY-9944-BIBU-1361 similarity", "source_label": "AY-9944", "target_label": "BIBU-1361", "cosine_similarity": 0.4820327758789062 } }, { "source": "CID:44505490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "SA-419172-lorazepam similarity", "source_label": "SA-419172", "target_label": "lorazepam", "cosine_similarity": 0.3588095903396606 } }, { "source": "CID:73438899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886614", "properties": { "id": "BOX-5-BG-1018 similarity", "source_label": "BOX-5", "target_label": "BG-1018", "cosine_similarity": 0.1972531378269195 } }, { "source": "CID:60606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "clopidogrel-KU-C104137 similarity", "source_label": "clopidogrel", "target_label": "KU-C104137", "cosine_similarity": 0.3795749247074127 } }, { "source": "CID:42785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:198693", "properties": { "id": "metenkephalin-CI-966 similarity", "source_label": "metenkephalin", "target_label": "CI-966", "cosine_similarity": 0.3912736177444458 } }, { "source": "CID:4380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3488", "properties": { "id": "clorgiline-glibenclamide similarity", "source_label": "clorgiline", "target_label": "glibenclamide", "cosine_similarity": 0.1763681322336197 } }, { "source": "CID:9904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "nandrolone-mestranol similarity", "source_label": "nandrolone", "target_label": "mestranol", "cosine_similarity": 0.2453397959470749 } }, { "source": "CID:441199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "cefoxitin-thiazolopyrimidine similarity", "source_label": "cefoxitin", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2995736598968506 } }, { "source": "CID:5488645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "latamoxef-eriodictyol similarity", "source_label": "latamoxef", "target_label": "eriodictyol", "cosine_similarity": 0.1945617049932479 } }, { "source": "CID:1345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "PK-11195-cytosporone-b similarity", "source_label": "PK-11195", "target_label": "cytosporone-b", "cosine_similarity": 0.4341666400432586 } }, { "source": "CID:60651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "marbofloxacin-SB-683698 similarity", "source_label": "marbofloxacin", "target_label": "SB-683698", "cosine_similarity": 0.5162520408630371 } }, { "source": "CID:5566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "trifluoperazine-thioridazine similarity", "source_label": "trifluoperazine", "target_label": "thioridazine", "cosine_similarity": 0.7709812521934509 } }, { "source": "CID:4097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "methantheline-ST-059620 similarity", "source_label": "methantheline", "target_label": "ST-059620", "cosine_similarity": 0.2629011869430542 } }, { "source": "CID:442195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "cephaeline-emetine similarity", "source_label": "cephaeline", "target_label": "emetine", "cosine_similarity": 0.8467419743537903 } }, { "source": "CID:728578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "ST-022313-mesoridazine similarity", "source_label": "ST-022313", "target_label": "mesoridazine", "cosine_similarity": 0.3464276790618896 } }, { "source": "CID:129010025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "azithromycin-meglitinide similarity", "source_label": "azithromycin", "target_label": "meglitinide", "cosine_similarity": 0.4022641181945801 } }, { "source": "CID:44607592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "KU-C104140-KU-C104137 similarity", "source_label": "KU-C104140", "target_label": "KU-C104137", "cosine_similarity": 0.4346446692943573 } }, { "source": "CID:9939609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123831", "properties": { "id": "darapladib-asymmetrical-dimethylarginine similarity", "source_label": "darapladib", "target_label": "asymmetrical-dimethylarginine", "cosine_similarity": 0.2839199602603912 } }, { "source": "CID:439246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:864", "properties": { "id": "naringenin-thioctic-acid similarity", "source_label": "naringenin", "target_label": "thioctic-acid", "cosine_similarity": 0.3941051363945007 } }, { "source": "CID:46697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32334", "properties": { "id": "isosalsoline-beta-alanine similarity", "source_label": "isosalsoline", "target_label": "beta-alanine", "cosine_similarity": 0.2506738901138305 } }, { "source": "CID:44483164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "KU-C103853-CVF-SUMO-7 similarity", "source_label": "KU-C103853", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.3195610046386719 } }, { "source": "CID:11524144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1830", "properties": { "id": "dorsomorphin-5-iodotubercidin similarity", "source_label": "dorsomorphin", "target_label": "5-iodotubercidin", "cosine_similarity": 0.5210678577423096 } }, { "source": "CID:5853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "metrifonate-doxazosin similarity", "source_label": "metrifonate", "target_label": "doxazosin", "cosine_similarity": 0.2616695761680603 } }, { "source": "CID:5104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "roxarsone-SA-1459213 similarity", "source_label": "roxarsone", "target_label": "SA-1459213", "cosine_similarity": 0.1846364587545395 } }, { "source": "CID:2689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9953592", "properties": { "id": "CGS-12066B-naltrindole similarity", "source_label": "CGS-12066B", "target_label": "naltrindole", "cosine_similarity": 0.2625942528247833 } }, { "source": "CID:5330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26937", "properties": { "id": "sulfamethoxypyridazine-clobutinol similarity", "source_label": "sulfamethoxypyridazine", "target_label": "clobutinol", "cosine_similarity": 0.2796995043754577 } }, { "source": "CID:6915744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "roxithromycin-fomepizole similarity", "source_label": "roxithromycin", "target_label": "fomepizole", "cosine_similarity": 0.4018323421478271 } }, { "source": "CID:44507272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "K1448-entinostat similarity", "source_label": "K1448", "target_label": "entinostat", "cosine_similarity": 0.2095142304897308 } }, { "source": "CID:4748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "perphenazine-CCT-031374 similarity", "source_label": "perphenazine", "target_label": "CCT-031374", "cosine_similarity": 0.7551319003105164 } }, { "source": "CID:9803433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "MK-0752-linsidomine similarity", "source_label": "MK-0752", "target_label": "linsidomine", "cosine_similarity": 0.3487259149551391 } }, { "source": "CID:622606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "desmethylclomipramine-dichlorobenzamil similarity", "source_label": "desmethylclomipramine", "target_label": "dichlorobenzamil", "cosine_similarity": 0.2899732291698456 } }, { "source": "CID:14520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "citiolone-ifosfamide similarity", "source_label": "citiolone", "target_label": "ifosfamide", "cosine_similarity": 0.2759434878826141 } }, { "source": "CID:3545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "C-1-tetrahydrouridine similarity", "source_label": "C-1", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3690978586673736 } }, { "source": "CID:54667404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57390074", "properties": { "id": "SA-1919877-AP-26113 similarity", "source_label": "SA-1919877", "target_label": "AP-26113", "cosine_similarity": 0.317555159330368 } }, { "source": "CID:4037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "meclofenamic-acid-ifosfamide similarity", "source_label": "meclofenamic-acid", "target_label": "ifosfamide", "cosine_similarity": 0.7702500820159912 } }, { "source": "CID:515709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5244802", "properties": { "id": "phenylalanyltyrosine-BRL-52537 similarity", "source_label": "phenylalanyltyrosine", "target_label": "BRL-52537", "cosine_similarity": 0.2487284988164901 } }, { "source": "CID:4189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2378", "properties": { "id": "miconazole-bifonazole similarity", "source_label": "miconazole", "target_label": "bifonazole", "cosine_similarity": 0.2365822345018386 } }, { "source": "CID:123692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "CS-110266-tenofovir similarity", "source_label": "CS-110266", "target_label": "tenofovir", "cosine_similarity": 0.2502449750900268 } }, { "source": "CID:54668617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1919248-SA-419050 similarity", "source_label": "SA-1919248", "target_label": "SA-419050", "cosine_similarity": 0.3534414172172546 } }, { "source": "CID:54657714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "SA-1457305-meclofenamic-acid similarity", "source_label": "SA-1457305", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2600047886371612 } }, { "source": "CID:5666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13738", "properties": { "id": "viloxazine-oxolamine similarity", "source_label": "viloxazine", "target_label": "oxolamine", "cosine_similarity": 0.1955195069313049 } }, { "source": "CID:54614984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667404", "properties": { "id": "SA-434027-SA-1919877 similarity", "source_label": "SA-434027", "target_label": "SA-1919877", "cosine_similarity": 0.3418975174427032 } }, { "source": "CID:16219399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "glycocholic-acid-fatostatin similarity", "source_label": "glycocholic-acid", "target_label": "fatostatin", "cosine_similarity": 0.2901246845722198 } }, { "source": "CID:44506644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "SA-247508-SA-1456170 similarity", "source_label": "SA-247508", "target_label": "SA-1456170", "cosine_similarity": 0.2920748293399811 } }, { "source": "CID:3820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "kenpaullone-AZD-5438 similarity", "source_label": "kenpaullone", "target_label": "AZD-5438", "cosine_similarity": 0.6447031497955322 } }, { "source": "CID:5311037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3448", "properties": { "id": "istradefylline-gaboxadol similarity", "source_label": "istradefylline", "target_label": "gaboxadol", "cosine_similarity": 0.1838753223419189 } }, { "source": "CID:44498994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-96835-SA-96816 similarity", "source_label": "SA-96835", "target_label": "SA-96816", "cosine_similarity": 0.4246432781219482 } }, { "source": "CID:122173063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "GSK-J2-amikacin similarity", "source_label": "GSK-J2", "target_label": "amikacin", "cosine_similarity": 0.681771993637085 } }, { "source": "CID:4353886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "FR-139317-zebularine similarity", "source_label": "FR-139317", "target_label": "zebularine", "cosine_similarity": 0.2895794808864593 } }, { "source": "CID:33887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3494", "properties": { "id": "almitrine-glycopyrrolate similarity", "source_label": "almitrine", "target_label": "glycopyrrolate", "cosine_similarity": 0.3883450627326965 } }, { "source": "CID:200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "AICA-ribonucleotide-vinburnine similarity", "source_label": "AICA-ribonucleotide", "target_label": "vinburnine", "cosine_similarity": 0.382784366607666 } }, { "source": "CID:73010930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5754137", "properties": { "id": "GSK-2801-BAM-7 similarity", "source_label": "GSK-2801", "target_label": "BAM-7", "cosine_similarity": 0.288710743188858 } }, { "source": "CID:71496458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "AZD-9291-BIBU-1361 similarity", "source_label": "AZD-9291", "target_label": "BIBU-1361", "cosine_similarity": 0.4665629863739013 } }, { "source": "CID:3292447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "SB-216641-STA-5326 similarity", "source_label": "SB-216641", "target_label": "STA-5326", "cosine_similarity": 0.531352162361145 } }, { "source": "CID:42642648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "ARRY-334543-diethylcarbamazine similarity", "source_label": "ARRY-334543", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3539571166038513 } }, { "source": "CID:4712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9967941", "properties": { "id": "PD-169316-SB-525334 similarity", "source_label": "PD-169316", "target_label": "SB-525334", "cosine_similarity": 0.3170031011104584 } }, { "source": "CID:194138", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2564", "properties": { "id": "EHPG-piperazine-carbinoxamine similarity", "source_label": "EHPG-piperazine", "target_label": "carbinoxamine", "cosine_similarity": 0.2027987390756607 } }, { "source": "CID:445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6602440", "properties": { "id": "glucosamine-dehydrocholate similarity", "source_label": "glucosamine", "target_label": "dehydrocholate", "cosine_similarity": 0.2495201379060745 } }, { "source": "CID:3957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "loratadine-histamine similarity", "source_label": "loratadine", "target_label": "histamine", "cosine_similarity": 0.3458518385887146 } }, { "source": "CID:92400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "zofenopril-calcium-disopyramide similarity", "source_label": "zofenopril-calcium", "target_label": "disopyramide", "cosine_similarity": 0.2724394202232361 } }, { "source": "CID:5509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4203080", "properties": { "id": "tolmetin-L-655708 similarity", "source_label": "tolmetin", "target_label": "L-655708", "cosine_similarity": 0.2293906956911087 } }, { "source": "CID:11538455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "JNJ-26481585-dacinostat similarity", "source_label": "JNJ-26481585", "target_label": "dacinostat", "cosine_similarity": 0.906971275806427 } }, { "source": "CID:122295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12801781", "properties": { "id": "SKF-104078-imipenem similarity", "source_label": "SKF-104078", "target_label": "imipenem", "cosine_similarity": 0.1713673174381256 } }, { "source": "CID:9419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "dibenzepin-dienestrol similarity", "source_label": "dibenzepin", "target_label": "dienestrol", "cosine_similarity": 0.2382309734821319 } }, { "source": "CID:44630540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "KU-C104255-salermide similarity", "source_label": "KU-C104255", "target_label": "salermide", "cosine_similarity": 0.2649967968463897 } }, { "source": "CID:73707349", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25118059", "properties": { "id": "BG-1003-BG-1005 similarity", "source_label": "BG-1003", "target_label": "BG-1005", "cosine_similarity": 0.6844006776809692 } }, { "source": "CID:16219399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "glycocholic-acid-ML-161 similarity", "source_label": "glycocholic-acid", "target_label": "ML-161", "cosine_similarity": 0.2846247255802154 } }, { "source": "CID:69923936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24964624", "properties": { "id": "JW-7-24-1-MK-2206 similarity", "source_label": "JW-7-24-1", "target_label": "MK-2206", "cosine_similarity": 0.536669909954071 } }, { "source": "CID:5284550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34870", "properties": { "id": "dosulepin-amineptine similarity", "source_label": "dosulepin", "target_label": "amineptine", "cosine_similarity": 0.2667996883392334 } }, { "source": "CID:3748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "iproniazid-T-0156 similarity", "source_label": "iproniazid", "target_label": "T-0156", "cosine_similarity": 0.5321671962738037 } }, { "source": "CID:44505045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658205", "properties": { "id": "SA-419050-SA-1456102 similarity", "source_label": "SA-419050", "target_label": "SA-1456102", "cosine_similarity": 0.3305080831050873 } }, { "source": "CID:9799509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "ER-27319-dactinomycin similarity", "source_label": "ER-27319", "target_label": "dactinomycin", "cosine_similarity": 0.8250925540924072 } }, { "source": "CID:3532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "guvacine-dienestrol similarity", "source_label": "guvacine", "target_label": "dienestrol", "cosine_similarity": 0.3850995004177093 } }, { "source": "CID:6855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43345", "properties": { "id": "benzoxiquine-P-1075 similarity", "source_label": "benzoxiquine", "target_label": "P-1075", "cosine_similarity": 0.1741372048854828 } }, { "source": "CID:46931004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "danoprevir-T-5345967 similarity", "source_label": "danoprevir", "target_label": "T-5345967", "cosine_similarity": 0.2960920333862304 } }, { "source": "CID:5353685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24069689", "properties": { "id": "I-OMe-AG-538-mocimycin similarity", "source_label": "I-OMe-AG-538", "target_label": "mocimycin", "cosine_similarity": 0.2480408400297165 } }, { "source": "CID:54654428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507299", "properties": { "id": "SA-1472623-SA-247636 similarity", "source_label": "SA-1472623", "target_label": "SA-247636", "cosine_similarity": 0.2992304563522339 } }, { "source": "CID:46897843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24113957", "properties": { "id": "VU-0420364-1-H-9 similarity", "source_label": "VU-0420364-1", "target_label": "H-9", "cosine_similarity": 0.2975934147834778 } }, { "source": "CID:73707440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:821257", "properties": { "id": "YL-59-RAN-14A similarity", "source_label": "YL-59", "target_label": "RAN-14A", "cosine_similarity": 0.1980801820755005 } }, { "source": "CID:3342298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "CTS-1027-nateglinide similarity", "source_label": "CTS-1027", "target_label": "nateglinide", "cosine_similarity": 0.461582213640213 } }, { "source": "CID:11683005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "darinaparsin-MW-MITF9 similarity", "source_label": "darinaparsin", "target_label": "MW-MITF9", "cosine_similarity": 0.4393328428268432 } }, { "source": "CID:6710754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "irilin-a-L-655240 similarity", "source_label": "irilin-a", "target_label": "L-655240", "cosine_similarity": 0.2524581551551819 } }, { "source": "CID:243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "benzoic-acid-monocrotaline similarity", "source_label": "benzoic-acid", "target_label": "monocrotaline", "cosine_similarity": 0.3395293056964874 } }, { "source": "CID:44488751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SA-422830-JAS07-006 similarity", "source_label": "SA-422830", "target_label": "JAS07-006", "cosine_similarity": 0.326005607843399 } }, { "source": "CID:45006145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "hydrocortisone-valerate-dexamethasone similarity", "source_label": "hydrocortisone-valerate", "target_label": "dexamethasone", "cosine_similarity": 0.3156006932258606 } }, { "source": "CID:5281051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "hypericin-yohimbine similarity", "source_label": "hypericin", "target_label": "yohimbine", "cosine_similarity": 0.5009230375289917 } }, { "source": "CID:119182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "clofarabine-gemcitabine similarity", "source_label": "clofarabine", "target_label": "gemcitabine", "cosine_similarity": 0.8264658451080322 } }, { "source": "CID:73333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:150311", "properties": { "id": "amperozide-ezetimibe similarity", "source_label": "amperozide", "target_label": "ezetimibe", "cosine_similarity": 0.3043224215507507 } }, { "source": "CID:10367662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7972413", "properties": { "id": "KI-16425-KB188-III-56 similarity", "source_label": "KI-16425", "target_label": "KB188-III-56", "cosine_similarity": 0.238712802529335 } }, { "source": "CID:41214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "meglitinide-pritelivir similarity", "source_label": "meglitinide", "target_label": "pritelivir", "cosine_similarity": 0.4783891141414642 } }, { "source": "CID:44483163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "endo-IWR-1-fatostatin similarity", "source_label": "endo-IWR-1", "target_label": "fatostatin", "cosine_similarity": 0.334128737449646 } }, { "source": "CID:4115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666571", "properties": { "id": "methoxychlor-SA-1921867 similarity", "source_label": "methoxychlor", "target_label": "SA-1921867", "cosine_similarity": 0.282569020986557 } }, { "source": "CID:11494412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "tivantinib-docetaxel similarity", "source_label": "tivantinib", "target_label": "docetaxel", "cosine_similarity": 0.7741683721542358 } }, { "source": "CID:10745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11716890", "properties": { "id": "acetylsalicylsalicylic-acid-YM-298198 similarity", "source_label": "acetylsalicylsalicylic-acid", "target_label": "YM-298198", "cosine_similarity": 0.2679879665374756 } }, { "source": "CID:6439848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:94701", "properties": { "id": "eicosadienoic-acid-diprotin-a similarity", "source_label": "eicosadienoic-acid", "target_label": "diprotin-a", "cosine_similarity": 0.2185438275337219 } }, { "source": "CID:16220051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "tunicamycin-dabrafenib similarity", "source_label": "tunicamycin", "target_label": "dabrafenib", "cosine_similarity": 0.5777851343154907 } }, { "source": "CID:449241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "H-89-CAY-10594 similarity", "source_label": "H-89", "target_label": "CAY-10594", "cosine_similarity": 0.5189971327781677 } }, { "source": "CID:5281743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "retrorsine-ST-209453 similarity", "source_label": "retrorsine", "target_label": "ST-209453", "cosine_similarity": 0.2423375695943832 } }, { "source": "CID:4104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220172", "properties": { "id": "methimazole-ivacaftor similarity", "source_label": "methimazole", "target_label": "ivacaftor", "cosine_similarity": 0.4311535954475403 } }, { "source": "CID:46926350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "dinaciclib-PIK-75 similarity", "source_label": "dinaciclib", "target_label": "PIK-75", "cosine_similarity": 0.7643112540245056 } }, { "source": "CID:11467730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11175137", "properties": { "id": "BMS-509744-AT-7867 similarity", "source_label": "BMS-509744", "target_label": "AT-7867", "cosine_similarity": 0.3734345138072967 } }, { "source": "CID:54659352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659373", "properties": { "id": "SA-1455884-SA-1456305 similarity", "source_label": "SA-1455884", "target_label": "SA-1456305", "cosine_similarity": 0.3676264882087707 } }, { "source": "CID:20854195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "KUC104235N-ifosfamide similarity", "source_label": "KUC104235N", "target_label": "ifosfamide", "cosine_similarity": 0.3410521447658539 } }, { "source": "CID:2756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "cimetidine-SB-683698 similarity", "source_label": "cimetidine", "target_label": "SB-683698", "cosine_similarity": 0.4166238009929657 } }, { "source": "CID:5244802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "BRL-52537-BMS-191011 similarity", "source_label": "BRL-52537", "target_label": "BMS-191011", "cosine_similarity": 0.2695839405059814 } }, { "source": "CID:4450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "nefopam-actarit similarity", "source_label": "nefopam", "target_label": "actarit", "cosine_similarity": 0.4118728637695312 } }, { "source": "CID:4628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82320", "properties": { "id": "oxolinic-acid-1-EBIO similarity", "source_label": "oxolinic-acid", "target_label": "1-EBIO", "cosine_similarity": 0.2900136709213257 } }, { "source": "CID:82320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "1-EBIO-vorinostat similarity", "source_label": "1-EBIO", "target_label": "vorinostat", "cosine_similarity": 0.4069987535476684 } }, { "source": "CID:448014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "AR-A014418-BMS-191011 similarity", "source_label": "AR-A014418", "target_label": "BMS-191011", "cosine_similarity": 0.4436302483081817 } }, { "source": "CID:54667012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666593", "properties": { "id": "SA-1920327-SA-1920687 similarity", "source_label": "SA-1920327", "target_label": "SA-1920687", "cosine_similarity": 0.4753763377666473 } }, { "source": "CID:2120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208901", "properties": { "id": "alrestatin-tesaglitazar similarity", "source_label": "alrestatin", "target_label": "tesaglitazar", "cosine_similarity": 0.2386842370033264 } }, { "source": "CID:5681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353593", "properties": { "id": "W-7-DMBI similarity", "source_label": "W-7", "target_label": "DMBI", "cosine_similarity": 0.2649552822113037 } }, { "source": "CID:11597537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "CC-930-tecastemizole similarity", "source_label": "CC-930", "target_label": "tecastemizole", "cosine_similarity": 0.3715737760066986 } }, { "source": "CID:54658765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "SA-1459849-SA-101776 similarity", "source_label": "SA-1459849", "target_label": "SA-101776", "cosine_similarity": 0.3087958097457886 } }, { "source": "CID:46925828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "SD-6-035-A6-2-phenylmelatonin similarity", "source_label": "SD-6-035-A6", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.2452383786439895 } }, { "source": "CID:4097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708716", "properties": { "id": "methantheline-catechin similarity", "source_label": "methantheline", "target_label": "catechin", "cosine_similarity": 0.2806174755096435 } }, { "source": "CID:5475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "tilorone-iodoquinol similarity", "source_label": "tilorone", "target_label": "iodoquinol", "cosine_similarity": 0.3106941878795624 } }, { "source": "CID:6024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3344", "properties": { "id": "cephalothin-fenspiride similarity", "source_label": "cephalothin", "target_label": "fenspiride", "cosine_similarity": 0.4482186734676361 } }, { "source": "CID:3247059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "epoxycholesterol-naltrexone similarity", "source_label": "epoxycholesterol", "target_label": "naltrexone", "cosine_similarity": 0.2646176517009735 } }, { "source": "CID:49806720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "alectinib-hydroxyurea similarity", "source_label": "alectinib", "target_label": "hydroxyurea", "cosine_similarity": 0.2903045117855072 } }, { "source": "CID:176408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "SCH-58261-inositol similarity", "source_label": "SCH-58261", "target_label": "inositol", "cosine_similarity": 0.4418855309486389 } }, { "source": "CID:16043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:969516", "properties": { "id": "tert-butylhydroquinone-curcumin similarity", "source_label": "tert-butylhydroquinone", "target_label": "curcumin", "cosine_similarity": 0.3792143762111664 } }, { "source": "CID:6610243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "penitrem-a-setiptiline similarity", "source_label": "penitrem-a", "target_label": "setiptiline", "cosine_similarity": 0.56475430727005 } }, { "source": "CID:60943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "relcovaptan-dienestrol similarity", "source_label": "relcovaptan", "target_label": "dienestrol", "cosine_similarity": 0.3606660962104797 } }, { "source": "CID:16219399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "glycocholic-acid-zebularine similarity", "source_label": "glycocholic-acid", "target_label": "zebularine", "cosine_similarity": 0.2842956781387329 } }, { "source": "CID:16741282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "SDM-25N-KU-C104140 similarity", "source_label": "SDM-25N", "target_label": "KU-C104140", "cosine_similarity": 0.2579963207244873 } }, { "source": "CID:2955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6913176", "properties": { "id": "dapsone-NXY-059 similarity", "source_label": "dapsone", "target_label": "NXY-059", "cosine_similarity": 0.3203526735305786 } }, { "source": "CID:68591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "toltrazuril-TUL-XX023 similarity", "source_label": "toltrazuril", "target_label": "TUL-XX023", "cosine_similarity": 0.2862720489501953 } }, { "source": "CID:9803963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "GW-501516-gemfibrozil similarity", "source_label": "GW-501516", "target_label": "gemfibrozil", "cosine_similarity": 0.4392065107822418 } }, { "source": "CID:3657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "hydroxyurea-dienestrol similarity", "source_label": "hydroxyurea", "target_label": "dienestrol", "cosine_similarity": 0.3745948076248169 } }, { "source": "CID:5023925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "butabindide-YK-4279 similarity", "source_label": "butabindide", "target_label": "YK-4279", "cosine_similarity": 0.3018191754817962 } }, { "source": "CID:46869941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "VU-0366037-2-roflumilast similarity", "source_label": "VU-0366037-2", "target_label": "roflumilast", "cosine_similarity": 0.2270556688308715 } }, { "source": "CID:54688261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "warfarin-nateglinide similarity", "source_label": "warfarin", "target_label": "nateglinide", "cosine_similarity": 0.3832007348537445 } }, { "source": "CID:5742832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "aztreonam-PD-128907 similarity", "source_label": "aztreonam", "target_label": "PD-128907", "cosine_similarity": 0.290292739868164 } }, { "source": "CID:5758458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "thiazolopyrimidine-enzalutamide similarity", "source_label": "thiazolopyrimidine", "target_label": "enzalutamide", "cosine_similarity": 0.5065053701400757 } }, { "source": "CID:25117126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "defactinib-PF-562271 similarity", "source_label": "defactinib", "target_label": "PF-562271", "cosine_similarity": 0.354373037815094 } }, { "source": "CID:54666869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "SA-1920942-nadolol similarity", "source_label": "SA-1920942", "target_label": "nadolol", "cosine_similarity": 0.2326227277517318 } }, { "source": "CID:446598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "clindamycin-tiapride similarity", "source_label": "clindamycin", "target_label": "tiapride", "cosine_similarity": 0.423060655593872 } }, { "source": "CID:3730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:334007", "properties": { "id": "iohexol-SEW-00445 similarity", "source_label": "iohexol", "target_label": "SEW-00445", "cosine_similarity": 0.1931605488061905 } }, { "source": "CID:3121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "valproic-acid-salicyl-alcohol similarity", "source_label": "valproic-acid", "target_label": "salicyl-alcohol", "cosine_similarity": 0.4404140710830688 } }, { "source": "CID:9911463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "GW-405833-CAY-10594 similarity", "source_label": "GW-405833", "target_label": "CAY-10594", "cosine_similarity": 0.4760887622833252 } }, { "source": "CID:3742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "ioxaglic-acid-ifosfamide similarity", "source_label": "ioxaglic-acid", "target_label": "ifosfamide", "cosine_similarity": 0.3739646971225738 } }, { "source": "CID:54657607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658692", "properties": { "id": "SA-1459234-SA-1458163 similarity", "source_label": "SA-1459234", "target_label": "SA-1458163", "cosine_similarity": 0.2012889981269836 } }, { "source": "CID:11984561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121891", "properties": { "id": "TH-302-mitiglinide similarity", "source_label": "TH-302", "target_label": "mitiglinide", "cosine_similarity": 0.3567967414855957 } }, { "source": "CID:29327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "streptozotocin-valproic-acid similarity", "source_label": "streptozotocin", "target_label": "valproic-acid", "cosine_similarity": 0.3162050545215606 } }, { "source": "CID:57697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39468", "properties": { "id": "pemirolast-levobunolol similarity", "source_label": "pemirolast", "target_label": "levobunolol", "cosine_similarity": 0.3524749875068664 } }, { "source": "CID:4236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4158", "properties": { "id": "modafinil-methylphenidate similarity", "source_label": "modafinil", "target_label": "methylphenidate", "cosine_similarity": 0.6612353324890137 } }, { "source": "CID:3579902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "KU-C103874-rolipram similarity", "source_label": "KU-C103874", "target_label": "rolipram", "cosine_similarity": 0.3415870368480682 } }, { "source": "CID:11404337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "obatoclax-RS-17053 similarity", "source_label": "obatoclax", "target_label": "RS-17053", "cosine_similarity": 0.7065621018409729 } }, { "source": "CID:515328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "fdcyd-floxuridine similarity", "source_label": "fdcyd", "target_label": "floxuridine", "cosine_similarity": 0.745102047920227 } }, { "source": "CID:9828911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9824562", "properties": { "id": "anamorelin-andarine similarity", "source_label": "anamorelin", "target_label": "andarine", "cosine_similarity": 0.3317123055458069 } }, { "source": "CID:67243342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "TUL-XIX029-gossypin similarity", "source_label": "TUL-XIX029", "target_label": "gossypin", "cosine_similarity": 0.3208364844322204 } }, { "source": "CID:2933863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46861623", "properties": { "id": "KU-C103875-AZD-9668 similarity", "source_label": "KU-C103875", "target_label": "AZD-9668", "cosine_similarity": 0.2608406245708465 } }, { "source": "CID:2419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3941250", "properties": { "id": "BMY-7378-nitrocaramiphen similarity", "source_label": "BMY-7378", "target_label": "nitrocaramiphen", "cosine_similarity": 0.3456180095672607 } }, { "source": "CID:5362129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "ramipril-rolipram similarity", "source_label": "ramipril", "target_label": "rolipram", "cosine_similarity": 0.2453695684671402 } }, { "source": "CID:44483336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "fluticasone-flumetasone similarity", "source_label": "fluticasone", "target_label": "flumetasone", "cosine_similarity": 0.4283572435379028 } }, { "source": "CID:6000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "tubocurarine-fluoropyruvate similarity", "source_label": "tubocurarine", "target_label": "fluoropyruvate", "cosine_similarity": 0.3346765339374542 } }, { "source": "CID:6160690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "GR-46611-sulfanitran similarity", "source_label": "GR-46611", "target_label": "sulfanitran", "cosine_similarity": 0.2032264024019241 } }, { "source": "CID:122327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "CI-976-PRIMA1 similarity", "source_label": "CI-976", "target_label": "PRIMA1", "cosine_similarity": 0.3127253353595733 } }, { "source": "CID:4943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "propofol-saxagliptin similarity", "source_label": "propofol", "target_label": "saxagliptin", "cosine_similarity": 0.3016234934329986 } }, { "source": "CID:66490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1133083", "properties": { "id": "NCI-16221-BG-1013 similarity", "source_label": "NCI-16221", "target_label": "BG-1013", "cosine_similarity": 0.2797470092773437 } }, { "source": "CID:3354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "flavoxate-S-18986 similarity", "source_label": "flavoxate", "target_label": "S-18986", "cosine_similarity": 0.4347776472568512 } }, { "source": "CID:3002119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "fursultiamine-phenothiazine similarity", "source_label": "fursultiamine", "target_label": "phenothiazine", "cosine_similarity": 0.2652761340141296 } }, { "source": "CID:3538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "GYKI-52466-BG-STK33-03 similarity", "source_label": "GYKI-52466", "target_label": "BG-STK33-03", "cosine_similarity": 0.2653229534626007 } }, { "source": "CID:5282367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311454", "properties": { "id": "menatetrenone-stiripentol similarity", "source_label": "menatetrenone", "target_label": "stiripentol", "cosine_similarity": 0.1865162253379821 } }, { "source": "CID:3086618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1935", "properties": { "id": "zamifenacin-tacrine similarity", "source_label": "zamifenacin", "target_label": "tacrine", "cosine_similarity": 0.1804385632276535 } }, { "source": "CID:66377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:110635", "properties": { "id": "edoxudine-tadalafil similarity", "source_label": "edoxudine", "target_label": "tadalafil", "cosine_similarity": 0.2474211007356643 } }, { "source": "CID:43008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "alizapride-cholic-acid similarity", "source_label": "alizapride", "target_label": "cholic-acid", "cosine_similarity": 0.5903034210205078 } }, { "source": "CID:4369491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "PD-407824-bithionol similarity", "source_label": "PD-407824", "target_label": "bithionol", "cosine_similarity": 0.5569100379943848 } }, { "source": "CID:9926048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "DMAB-anabaseine-gramine similarity", "source_label": "DMAB-anabaseine", "target_label": "gramine", "cosine_similarity": 0.2212382704019546 } }, { "source": "CID:2519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4679", "properties": { "id": "caffeine-pantoprazole similarity", "source_label": "caffeine", "target_label": "pantoprazole", "cosine_similarity": 0.3238484859466553 } }, { "source": "CID:5749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "oxyphenonium-PSH-028 similarity", "source_label": "oxyphenonium", "target_label": "PSH-028", "cosine_similarity": 0.2550195753574371 } }, { "source": "CID:44505769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489343", "properties": { "id": "SA-418267-SA-425929 similarity", "source_label": "SA-418267", "target_label": "SA-425929", "cosine_similarity": 0.2802261114120483 } }, { "source": "CID:6445562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "pelitinib-neratinib similarity", "source_label": "pelitinib", "target_label": "neratinib", "cosine_similarity": 0.6847005486488342 } }, { "source": "CID:5353760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5593", "properties": { "id": "methoprene-acid-tropicamide similarity", "source_label": "methoprene-acid", "target_label": "tropicamide", "cosine_similarity": 0.2349445521831512 } }, { "source": "CID:2200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "antazoline-EMF-sumo1-6 similarity", "source_label": "antazoline", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2109647989273071 } }, { "source": "CID:442424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "genipin-SD-6-035-A8 similarity", "source_label": "genipin", "target_label": "SD-6-035-A8", "cosine_similarity": 0.3360163867473602 } }, { "source": "CID:127951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "RS-45041-190-paraxanthine similarity", "source_label": "RS-45041-190", "target_label": "paraxanthine", "cosine_similarity": 0.2529181540012359 } }, { "source": "CID:230710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "ML-204-theobromine similarity", "source_label": "ML-204", "target_label": "theobromine", "cosine_similarity": 0.2936644554138183 } }, { "source": "CID:54666825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500998", "properties": { "id": "SA-1922111-SA-245650 similarity", "source_label": "SA-1922111", "target_label": "SA-245650", "cosine_similarity": 0.2870316803455353 } }, { "source": "CID:6603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23846564", "properties": { "id": "pempidine-butirosin similarity", "source_label": "pempidine", "target_label": "butirosin", "cosine_similarity": 0.2080810666084289 } }, { "source": "CID:44486991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658832", "properties": { "id": "SA-424577-SA-1459256 similarity", "source_label": "SA-424577", "target_label": "SA-1459256", "cosine_similarity": 0.4180303812026977 } }, { "source": "CID:12791166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "ketocholesterol-ITSA-1 similarity", "source_label": "ketocholesterol", "target_label": "ITSA-1", "cosine_similarity": 0.2363488227128982 } }, { "source": "CID:392622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24770514", "properties": { "id": "ritonavir-CPI-613 similarity", "source_label": "ritonavir", "target_label": "CPI-613", "cosine_similarity": 0.2913756966590881 } }, { "source": "CID:167551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "anacardic-acid-GSK-J1 similarity", "source_label": "anacardic-acid", "target_label": "GSK-J1", "cosine_similarity": 0.4776465892791748 } }, { "source": "CID:123683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "IB-MECA-saxagliptin similarity", "source_label": "IB-MECA", "target_label": "saxagliptin", "cosine_similarity": 0.4261875450611114 } }, { "source": "CID:2662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5865", "properties": { "id": "celecoxib-prednisone similarity", "source_label": "celecoxib", "target_label": "prednisone", "cosine_similarity": 0.4860018193721771 } }, { "source": "CID:68617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "sertraline-perphenazine similarity", "source_label": "sertraline", "target_label": "perphenazine", "cosine_similarity": 0.7148191332817078 } }, { "source": "CID:2746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "tacedinaline-BG-1024 similarity", "source_label": "tacedinaline", "target_label": "BG-1024", "cosine_similarity": 0.5813382267951965 } }, { "source": "CID:4574540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "IRL-2500-ipratropium similarity", "source_label": "IRL-2500", "target_label": "ipratropium", "cosine_similarity": 0.2730731666088104 } }, { "source": "CID:44503093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "SA-246522-indinavir similarity", "source_label": "SA-246522", "target_label": "indinavir", "cosine_similarity": 0.301479160785675 } }, { "source": "CID:412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "nornicotine-tetrahydrouridine similarity", "source_label": "nornicotine", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4155915379524231 } }, { "source": "CID:6852167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "PIK-93-WYE-125132 similarity", "source_label": "PIK-93", "target_label": "WYE-125132", "cosine_similarity": 0.3664989471435547 } }, { "source": "CID:10620479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "BML-278-parecoxib similarity", "source_label": "BML-278", "target_label": "parecoxib", "cosine_similarity": 0.3269403874874115 } }, { "source": "CID:5280489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "beta-carotene-pifithrin-mu similarity", "source_label": "beta-carotene", "target_label": "pifithrin-mu", "cosine_similarity": 0.2547816932201385 } }, { "source": "CID:5354033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "U-0126-selumetinib similarity", "source_label": "U-0126", "target_label": "selumetinib", "cosine_similarity": 0.649651050567627 } }, { "source": "CID:441594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "hippeastrine-emetine similarity", "source_label": "hippeastrine", "target_label": "emetine", "cosine_similarity": 0.3116770684719085 } }, { "source": "CID:3455588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2743956", "properties": { "id": "ST-4075437-SPB02137 similarity", "source_label": "ST-4075437", "target_label": "SPB02137", "cosine_similarity": 0.281376302242279 } }, { "source": "CID:5280723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "alprostadil-rolipram similarity", "source_label": "alprostadil", "target_label": "rolipram", "cosine_similarity": 0.3627814352512359 } }, { "source": "CID:5966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "demecarium-ponatinib similarity", "source_label": "demecarium", "target_label": "ponatinib", "cosine_similarity": 0.1891050785779953 } }, { "source": "CID:3655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3316", "properties": { "id": "velnacrine-exalamide similarity", "source_label": "velnacrine", "target_label": "exalamide", "cosine_similarity": 0.2191292643547058 } }, { "source": "CID:2819095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1285940", "properties": { "id": "KM-00799-C-646 similarity", "source_label": "KM-00799", "target_label": "C-646", "cosine_similarity": 0.3189258575439453 } }, { "source": "CID:2956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11964036", "properties": { "id": "DAPT-GSI-IX-KU-0060648 similarity", "source_label": "DAPT-GSI-IX", "target_label": "KU-0060648", "cosine_similarity": 0.2635743319988251 } }, { "source": "CID:4748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "perphenazine-UNC-0638 similarity", "source_label": "perphenazine", "target_label": "UNC-0638", "cosine_similarity": 0.6691998839378357 } }, { "source": "CID:5392245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5351542", "properties": { "id": "calycanthine-morphothebaine similarity", "source_label": "calycanthine", "target_label": "morphothebaine", "cosine_similarity": 0.2850911915302276 } }, { "source": "CID:54657710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-1456508-SA-85268 similarity", "source_label": "SA-1456508", "target_label": "SA-85268", "cosine_similarity": 0.3338900804519653 } }, { "source": "CID:44492693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "SA-84869-wortmannin similarity", "source_label": "SA-84869", "target_label": "wortmannin", "cosine_similarity": 0.2826545238494873 } }, { "source": "CID:4771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "phentermine-marbofloxacin similarity", "source_label": "phentermine", "target_label": "marbofloxacin", "cosine_similarity": 0.3134444952011108 } }, { "source": "CID:2820134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "KM-03472SC-NSC-95397 similarity", "source_label": "KM-03472SC", "target_label": "NSC-95397", "cosine_similarity": 0.2601966559886932 } }, { "source": "CID:11224409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "radezolid-GNF-2 similarity", "source_label": "radezolid", "target_label": "GNF-2", "cosine_similarity": 0.3158117830753326 } }, { "source": "CID:3561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "haloprogin-suloctidil similarity", "source_label": "haloprogin", "target_label": "suloctidil", "cosine_similarity": 0.4839237034320831 } }, { "source": "CID:897475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "ARG-CSC-81-amikacin similarity", "source_label": "ARG-CSC-81", "target_label": "amikacin", "cosine_similarity": 0.4735374748706817 } }, { "source": "CID:16222096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "cobimetinib-AZD-8330 similarity", "source_label": "cobimetinib", "target_label": "AZD-8330", "cosine_similarity": 0.7162032723426819 } }, { "source": "CID:20854195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747215", "properties": { "id": "KUC104235N-JAS07-007 similarity", "source_label": "KUC104235N", "target_label": "JAS07-007", "cosine_similarity": 0.3387121856212616 } }, { "source": "CID:4216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9953769", "properties": { "id": "ML-7-RS-504393 similarity", "source_label": "ML-7", "target_label": "RS-504393", "cosine_similarity": 0.3226417005062103 } }, { "source": "CID:44491516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44617231", "properties": { "id": "SA-432137-SA-424371 similarity", "source_label": "SA-432137", "target_label": "SA-424371", "cosine_similarity": 0.3188936710357666 } }, { "source": "CID:125519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9795278", "properties": { "id": "aminogenistein-PNU-282987 similarity", "source_label": "aminogenistein", "target_label": "PNU-282987", "cosine_similarity": 0.2412867993116378 } }, { "source": "CID:2777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708769", "properties": { "id": "CL-82198-buddleoflavonoloside similarity", "source_label": "CL-82198", "target_label": "buddleoflavonoloside", "cosine_similarity": 0.306511640548706 } }, { "source": "CID:42760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "olvanil-butein similarity", "source_label": "olvanil", "target_label": "butein", "cosine_similarity": 0.2815245687961578 } }, { "source": "CID:6433118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010004", "properties": { "id": "lirimilast-tebipenem similarity", "source_label": "lirimilast", "target_label": "tebipenem", "cosine_similarity": 0.3810621500015259 } }, { "source": "CID:44143703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65373", "properties": { "id": "KU-C103428N-secoisolariciresinol similarity", "source_label": "KU-C103428N", "target_label": "secoisolariciresinol", "cosine_similarity": 0.3006075024604797 } }, { "source": "CID:6024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "cephalothin-salicyl-alcohol similarity", "source_label": "cephalothin", "target_label": "salicyl-alcohol", "cosine_similarity": 0.4353650212287903 } }, { "source": "CID:40461270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "lenalidomide-harmine similarity", "source_label": "lenalidomide", "target_label": "harmine", "cosine_similarity": 0.4793879389762878 } }, { "source": "CID:1986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "acetazolamide-zidovudine similarity", "source_label": "acetazolamide", "target_label": "zidovudine", "cosine_similarity": 0.4158774316310882 } }, { "source": "CID:11597537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6913176", "properties": { "id": "CC-930-NXY-059 similarity", "source_label": "CC-930", "target_label": "NXY-059", "cosine_similarity": 0.3826129138469696 } }, { "source": "CID:32798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918155", "properties": { "id": "clobetasol-ciclesonide similarity", "source_label": "clobetasol", "target_label": "ciclesonide", "cosine_similarity": 0.7121610641479492 } }, { "source": "CID:4935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "proxymetacaine-DR-2313 similarity", "source_label": "proxymetacaine", "target_label": "DR-2313", "cosine_similarity": 0.3334095478057861 } }, { "source": "CID:4848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5533", "properties": { "id": "pirenzepine-trazodone similarity", "source_label": "pirenzepine", "target_label": "trazodone", "cosine_similarity": 0.2292489856481552 } }, { "source": "CID:17755052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "GDC-0941-taselisib similarity", "source_label": "GDC-0941", "target_label": "taselisib", "cosine_similarity": 0.7031940817832947 } }, { "source": "CID:5281792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "rosmarinic-acid-PJ-34 similarity", "source_label": "rosmarinic-acid", "target_label": "PJ-34", "cosine_similarity": 0.2551952302455902 } }, { "source": "CID:3728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "iodoquinol-3-CPMT similarity", "source_label": "iodoquinol", "target_label": "3-CPMT", "cosine_similarity": 0.5188913941383362 } }, { "source": "CID:73707561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2107", "properties": { "id": "desmethyl-DASB-alpha-methylserotonin similarity", "source_label": "desmethyl-DASB", "target_label": "alpha-methylserotonin", "cosine_similarity": 0.2291954904794693 } }, { "source": "CID:5350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "sulforaphane-pifithrin-mu similarity", "source_label": "sulforaphane", "target_label": "pifithrin-mu", "cosine_similarity": 0.6910977959632874 } }, { "source": "CID:448912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "aloisine-AG-14361 similarity", "source_label": "aloisine", "target_label": "AG-14361", "cosine_similarity": 0.4202345013618469 } }, { "source": "CID:5584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "trimipramine-pritelivir similarity", "source_label": "trimipramine", "target_label": "pritelivir", "cosine_similarity": 0.427866667509079 } }, { "source": "CID:73707546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702124", "properties": { "id": "garcinol-tranylcypromine similarity", "source_label": "garcinol", "target_label": "tranylcypromine", "cosine_similarity": 0.3823709487915039 } }, { "source": "CID:1383884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2819993", "properties": { "id": "URB-597-P-5091 similarity", "source_label": "URB-597", "target_label": "P-5091", "cosine_similarity": 0.2942193150520324 } }, { "source": "CID:5754137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73010930", "properties": { "id": "BAM-7-GSK-2801 similarity", "source_label": "BAM-7", "target_label": "GSK-2801", "cosine_similarity": 0.288710743188858 } }, { "source": "CID:3042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:378811", "properties": { "id": "dicycloverine-MR-16728 similarity", "source_label": "dicycloverine", "target_label": "MR-16728", "cosine_similarity": 0.2060690820217132 } }, { "source": "CID:2951859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "DAC-009-DAC-003 similarity", "source_label": "DAC-009", "target_label": "DAC-003", "cosine_similarity": 0.4234117567539215 } }, { "source": "CID:44601470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3250", "properties": { "id": "KUC103893N-ergometrine similarity", "source_label": "KUC103893N", "target_label": "ergometrine", "cosine_similarity": 0.2329937219619751 } }, { "source": "CID:4160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "methyl-testosterone-anethole similarity", "source_label": "methyl-testosterone", "target_label": "anethole", "cosine_similarity": 0.2835577726364136 } }, { "source": "CID:151170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "cilomilast-miglustat similarity", "source_label": "cilomilast", "target_label": "miglustat", "cosine_similarity": 0.4491204917430877 } }, { "source": "CID:167551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "anacardic-acid-JW-55 similarity", "source_label": "anacardic-acid", "target_label": "JW-55", "cosine_similarity": 0.5148122310638428 } }, { "source": "CID:60189692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "SA-1938740-SA-423131 similarity", "source_label": "SA-1938740", "target_label": "SA-423131", "cosine_similarity": 0.2608276009559631 } }, { "source": "CID:39042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "bezafibrate-Y-26763 similarity", "source_label": "bezafibrate", "target_label": "Y-26763", "cosine_similarity": 0.4710032641887665 } }, { "source": "CID:3083928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283393", "properties": { "id": "fraxidin-arachidonamide similarity", "source_label": "fraxidin", "target_label": "arachidonamide", "cosine_similarity": 0.237481951713562 } }, { "source": "CID:4822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28693", "properties": { "id": "pimethixene-metergoline similarity", "source_label": "pimethixene", "target_label": "metergoline", "cosine_similarity": 0.1550760120153427 } }, { "source": "CID:44501814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "SA-103006-leu-enkephalin similarity", "source_label": "SA-103006", "target_label": "leu-enkephalin", "cosine_similarity": 0.3142732977867126 } }, { "source": "CID:11713159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1830", "properties": { "id": "PF-562271-5-iodotubercidin similarity", "source_label": "PF-562271", "target_label": "5-iodotubercidin", "cosine_similarity": 0.5501624345779419 } }, { "source": "CID:11497983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5780", "properties": { "id": "barasertib-mannitol-D similarity", "source_label": "barasertib", "target_label": "mannitol-D", "cosine_similarity": 0.2388497292995453 } }, { "source": "CID:6440033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "temsirolimus-everolimus similarity", "source_label": "temsirolimus", "target_label": "everolimus", "cosine_similarity": 0.8022263646125793 } }, { "source": "CID:6604381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "tyloxapol-terfenadine similarity", "source_label": "tyloxapol", "target_label": "terfenadine", "cosine_similarity": 0.4063368439674377 } }, { "source": "CID:4417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "naftidrofuryl-estramustine-phosphate similarity", "source_label": "naftidrofuryl", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4549750983715057 } }, { "source": "CID:2783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "clenbuterol-meclizine similarity", "source_label": "clenbuterol", "target_label": "meclizine", "cosine_similarity": 0.3212570548057556 } }, { "source": "CID:42642645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "foretinib-cobimetinib similarity", "source_label": "foretinib", "target_label": "cobimetinib", "cosine_similarity": 0.4561429619789123 } }, { "source": "CID:44616431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-441145-SA-89763 similarity", "source_label": "SA-441145", "target_label": "SA-89763", "cosine_similarity": 0.2423840016126632 } }, { "source": "CID:2353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "berberine-desoxypeganine similarity", "source_label": "berberine", "target_label": "desoxypeganine", "cosine_similarity": 0.4353170692920685 } }, { "source": "CID:2798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "clofilium-AG-879 similarity", "source_label": "clofilium", "target_label": "AG-879", "cosine_similarity": 0.4050139486789703 } }, { "source": "CID:3180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4628", "properties": { "id": "dyclonine-oxolinic-acid similarity", "source_label": "dyclonine", "target_label": "oxolinic-acid", "cosine_similarity": 0.1849930435419082 } }, { "source": "CID:54657740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484239", "properties": { "id": "SA-1456570-SA-90153 similarity", "source_label": "SA-1456570", "target_label": "SA-90153", "cosine_similarity": 0.2503648698329925 } }, { "source": "CID:5387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "telenzepine-NSC-23766 similarity", "source_label": "telenzepine", "target_label": "NSC-23766", "cosine_similarity": 0.2881083786487579 } }, { "source": "CID:17756796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "BIBU-1361-STA-5326 similarity", "source_label": "BIBU-1361", "target_label": "STA-5326", "cosine_similarity": 0.6806147694587708 } }, { "source": "CID:4289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "Ro-16-6941-PT-630 similarity", "source_label": "Ro-16-6941", "target_label": "PT-630", "cosine_similarity": 0.2725742161273956 } }, { "source": "CID:5360515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56971", "properties": { "id": "naltrexone-ipsapirone similarity", "source_label": "naltrexone", "target_label": "ipsapirone", "cosine_similarity": 0.2998278439044952 } }, { "source": "CID:5467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702063", "properties": { "id": "tiapride-guanaben-acetate similarity", "source_label": "tiapride", "target_label": "guanaben-acetate", "cosine_similarity": 0.4485759735107422 } }, { "source": "CID:46903876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "SD-6-035-A12-methapyrilene similarity", "source_label": "SD-6-035-A12", "target_label": "methapyrilene", "cosine_similarity": 0.23670694231987 } }, { "source": "CID:51003717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CVF-SUMO-13-EMF-sumo1-39 similarity", "source_label": "CVF-SUMO-13", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.5634878873825073 } }, { "source": "CID:46191454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "PHA-793887-AG-14361 similarity", "source_label": "PHA-793887", "target_label": "AG-14361", "cosine_similarity": 0.6057007908821106 } }, { "source": "CID:9840324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "etomoxir-ZM-336372 similarity", "source_label": "etomoxir", "target_label": "ZM-336372", "cosine_similarity": 0.3817362487316131 } }, { "source": "CID:644213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "GW-9662-BMS-191011 similarity", "source_label": "GW-9662", "target_label": "BMS-191011", "cosine_similarity": 0.4399555325508117 } }, { "source": "CID:129010078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "triptolide-BMS-387032 similarity", "source_label": "triptolide", "target_label": "BMS-387032", "cosine_similarity": 0.7878710031509399 } }, { "source": "CID:4624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865652", "properties": { "id": "oxidopamine-IDAM similarity", "source_label": "oxidopamine", "target_label": "IDAM", "cosine_similarity": 0.2206211686134338 } }, { "source": "CID:6604789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "RS-56812-L-ergothioneine similarity", "source_label": "RS-56812", "target_label": "L-ergothioneine", "cosine_similarity": 0.3833849132061004 } }, { "source": "CID:44129591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747195", "properties": { "id": "VU-0366968-PSH-026 similarity", "source_label": "VU-0366968", "target_label": "PSH-026", "cosine_similarity": 0.2722997069358825 } }, { "source": "CID:22245026", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "GR-206-DAC-012 similarity", "source_label": "GR-206", "target_label": "DAC-012", "cosine_similarity": 0.3360237181186676 } }, { "source": "CID:56655374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "HG-14-10-04-AZD-5363 similarity", "source_label": "HG-14-10-04", "target_label": "AZD-5363", "cosine_similarity": 0.4691266417503357 } }, { "source": "CID:2284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "baclofen-lenalidomide similarity", "source_label": "baclofen", "target_label": "lenalidomide", "cosine_similarity": 0.2559351325035095 } }, { "source": "CID:6708769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "buddleoflavonoloside-temozolomide similarity", "source_label": "buddleoflavonoloside", "target_label": "temozolomide", "cosine_similarity": 0.3093176186084747 } }, { "source": "CID:216284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "zeranol-bitopertin similarity", "source_label": "zeranol", "target_label": "bitopertin", "cosine_similarity": 0.1974109709262848 } }, { "source": "CID:11282283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "amuvatinib-dabrafenib similarity", "source_label": "amuvatinib", "target_label": "dabrafenib", "cosine_similarity": 0.3833836019039154 } }, { "source": "CID:104842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "SN-38-teniposide similarity", "source_label": "SN-38", "target_label": "teniposide", "cosine_similarity": 0.8208560943603516 } }, { "source": "CID:51371328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "estramustine-CO-102862 similarity", "source_label": "estramustine", "target_label": "CO-102862", "cosine_similarity": 0.3910583853721618 } }, { "source": "CID:6070589", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1258678", "properties": { "id": "BAS-09104376-ST-014075 similarity", "source_label": "BAS-09104376", "target_label": "ST-014075", "cosine_similarity": 0.191407173871994 } }, { "source": "CID:172997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "lixivaptan-amiodarone similarity", "source_label": "lixivaptan", "target_label": "amiodarone", "cosine_similarity": 0.2812831997871399 } }, { "source": "CID:5719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107751", "properties": { "id": "zaleplon-racecadotril similarity", "source_label": "zaleplon", "target_label": "racecadotril", "cosine_similarity": 0.3674392402172088 } }, { "source": "CID:60937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "tiludronate-cromoglicic-acid similarity", "source_label": "tiludronate", "target_label": "cromoglicic-acid", "cosine_similarity": 0.3205897510051727 } }, { "source": "CID:2730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "chlorpyrifos-ICI-162846 similarity", "source_label": "chlorpyrifos", "target_label": "ICI-162846", "cosine_similarity": 0.4899654984474182 } }, { "source": "CID:115193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "isofloxythepin-nateglinide similarity", "source_label": "isofloxythepin", "target_label": "nateglinide", "cosine_similarity": 0.4636058211326599 } }, { "source": "CID:9886086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "Ro-28-1675-sorafenib similarity", "source_label": "Ro-28-1675", "target_label": "sorafenib", "cosine_similarity": 0.6243078708648682 } }, { "source": "CID:4018928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2478", "properties": { "id": "sulpiride-busulfan similarity", "source_label": "sulpiride", "target_label": "busulfan", "cosine_similarity": 0.4122419655323028 } }, { "source": "CID:3374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "flumequine-granisetron similarity", "source_label": "flumequine", "target_label": "granisetron", "cosine_similarity": 0.2805984318256378 } }, { "source": "CID:9811834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "sacubitril-luliconazole similarity", "source_label": "sacubitril", "target_label": "luliconazole", "cosine_similarity": 0.3386972844600677 } }, { "source": "CID:54667012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6173479", "properties": { "id": "SA-1920327-MW-STK33-4A similarity", "source_label": "SA-1920327", "target_label": "MW-STK33-4A", "cosine_similarity": 0.2227772176265716 } }, { "source": "CID:44623946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071196", "properties": { "id": "N-6022-pimavanserin similarity", "source_label": "N-6022", "target_label": "pimavanserin", "cosine_similarity": 0.4872881174087524 } }, { "source": "CID:153005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54197", "properties": { "id": "tyramine-ceftazidime similarity", "source_label": "tyramine", "target_label": "ceftazidime", "cosine_similarity": 0.1973083764314651 } }, { "source": "CID:10127622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "selumetinib-PD-0325901 similarity", "source_label": "selumetinib", "target_label": "PD-0325901", "cosine_similarity": 0.9218671321868896 } }, { "source": "CID:5383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "tebuthiuron-rolipram similarity", "source_label": "tebuthiuron", "target_label": "rolipram", "cosine_similarity": 0.3351099193096161 } }, { "source": "CID:4761", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "pheniramine-SA-102096 similarity", "source_label": "pheniramine", "target_label": "SA-102096", "cosine_similarity": 0.249052345752716 } }, { "source": "CID:155982217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "monensin-CGP-71683 similarity", "source_label": "monensin", "target_label": "CGP-71683", "cosine_similarity": 0.3019556999206543 } }, { "source": "CID:2130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9880620", "properties": { "id": "amantadine-piroxicam similarity", "source_label": "amantadine", "target_label": "piroxicam", "cosine_similarity": 0.3331686556339264 } }, { "source": "CID:23637804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "ceforanide-phenoxazine similarity", "source_label": "ceforanide", "target_label": "phenoxazine", "cosine_similarity": 0.2525272965431213 } }, { "source": "CID:4168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "metoclopramide-VX-222 similarity", "source_label": "metoclopramide", "target_label": "VX-222", "cosine_similarity": 0.2832679450511932 } }, { "source": "CID:444025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "loteprednol-beclomethasone-dipropionate similarity", "source_label": "loteprednol", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.3011213839054107 } }, { "source": "CID:44487665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "SA-85377-alpha-tocopherol similarity", "source_label": "SA-85377", "target_label": "alpha-tocopherol", "cosine_similarity": 0.275900274515152 } }, { "source": "CID:59473233", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "GS-9973-TUL-XXI039 similarity", "source_label": "GS-9973", "target_label": "TUL-XXI039", "cosine_similarity": 0.2986210882663727 } }, { "source": "CID:54655268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-1462246-SA-1937536 similarity", "source_label": "SA-1462246", "target_label": "SA-1937536", "cosine_similarity": 0.2678193151950836 } }, { "source": "CID:44143370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66577006", "properties": { "id": "KIN001-266-KIN001-270 similarity", "source_label": "KIN001-266", "target_label": "KIN001-270", "cosine_similarity": 0.3282112777233124 } }, { "source": "CID:2805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "cloperastine-hydroxyamphetamine similarity", "source_label": "cloperastine", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.2929568588733673 } }, { "source": "CID:9690109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3767", "properties": { "id": "armodafinil-isoniazid similarity", "source_label": "armodafinil", "target_label": "isoniazid", "cosine_similarity": 0.430465817451477 } }, { "source": "CID:49843139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484295", "properties": { "id": "SA-433965-SA-90544 similarity", "source_label": "SA-433965", "target_label": "SA-90544", "cosine_similarity": 0.2552070915699005 } }, { "source": "CID:1548953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "clomifene-rimcazole similarity", "source_label": "clomifene", "target_label": "rimcazole", "cosine_similarity": 0.5001063346862793 } }, { "source": "CID:44251605", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5734", "properties": { "id": "LY-2811376-zonisamide similarity", "source_label": "LY-2811376", "target_label": "zonisamide", "cosine_similarity": 0.3448939025402069 } }, { "source": "CID:4843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46898058", "properties": { "id": "piracetam-GSK-923295 similarity", "source_label": "piracetam", "target_label": "GSK-923295", "cosine_similarity": 0.298581063747406 } }, { "source": "CID:3151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "domperidone-gefitinib similarity", "source_label": "domperidone", "target_label": "gefitinib", "cosine_similarity": 0.1837612241506576 } }, { "source": "CID:3647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "hydroflumethiazide-fluoropyruvate similarity", "source_label": "hydroflumethiazide", "target_label": "fluoropyruvate", "cosine_similarity": 0.2842930257320404 } }, { "source": "CID:44489582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "SA-89210-vandetanib similarity", "source_label": "SA-89210", "target_label": "vandetanib", "cosine_similarity": 0.2583423554897308 } }, { "source": "CID:53708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25429", "properties": { "id": "enoximone-carbendazim similarity", "source_label": "enoximone", "target_label": "carbendazim", "cosine_similarity": 0.2022705227136612 } }, { "source": "CID:5478883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "pepstatin-gliclazide similarity", "source_label": "pepstatin", "target_label": "gliclazide", "cosine_similarity": 0.5846036076545715 } }, { "source": "CID:73707476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "pivampicillin-BMY-14802 similarity", "source_label": "pivampicillin", "target_label": "BMY-14802", "cosine_similarity": 0.2378385514020919 } }, { "source": "CID:119182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "clofarabine-cladribine similarity", "source_label": "clofarabine", "target_label": "cladribine", "cosine_similarity": 0.714704692363739 } }, { "source": "CID:44488857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "SA-84905-SA-1455822 similarity", "source_label": "SA-84905", "target_label": "SA-1455822", "cosine_similarity": 0.4013309776782989 } }, { "source": "CID:5245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "risedronate-floxuridine similarity", "source_label": "risedronate", "target_label": "floxuridine", "cosine_similarity": 0.1905526369810104 } }, { "source": "CID:24747193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747183", "properties": { "id": "JAS07-005-JAS07-008 similarity", "source_label": "JAS07-005", "target_label": "JAS07-008", "cosine_similarity": 0.3516657054424286 } }, { "source": "CID:9887884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "DMP-543-vinpocetine similarity", "source_label": "DMP-543", "target_label": "vinpocetine", "cosine_similarity": 0.2588545978069305 } }, { "source": "CID:44630540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311276", "properties": { "id": "KU-C104255-L-168049 similarity", "source_label": "KU-C104255", "target_label": "L-168049", "cosine_similarity": 0.2963445782661438 } }, { "source": "CID:3646984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "F-1061-0166-7b-cis similarity", "source_label": "F-1061-0166", "target_label": "7b-cis", "cosine_similarity": 0.5822928547859192 } }, { "source": "CID:9910486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926", "properties": { "id": "SB-705498-lidoflazine similarity", "source_label": "SB-705498", "target_label": "lidoflazine", "cosine_similarity": 0.4773869216442108 } }, { "source": "CID:10074640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "masitinib-trifluoperazine similarity", "source_label": "masitinib", "target_label": "trifluoperazine", "cosine_similarity": 0.5989002585411072 } }, { "source": "CID:129360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "L-670596-PJ-34 similarity", "source_label": "L-670596", "target_label": "PJ-34", "cosine_similarity": 0.229114294052124 } }, { "source": "CID:44496365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5351542", "properties": { "id": "SA-243929-morphothebaine similarity", "source_label": "SA-243929", "target_label": "morphothebaine", "cosine_similarity": 0.3136970400810241 } }, { "source": "CID:44505892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487665", "properties": { "id": "SA-419090-SA-85377 similarity", "source_label": "SA-419090", "target_label": "SA-85377", "cosine_similarity": 0.3412047028541565 } }, { "source": "CID:54658969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658965", "properties": { "id": "SA-1457797-SA-1456352 similarity", "source_label": "SA-1457797", "target_label": "SA-1456352", "cosine_similarity": 0.4265987575054168 } }, { "source": "CID:236702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "dexamethasone-fluticasone-propionate similarity", "source_label": "dexamethasone", "target_label": "fluticasone-propionate", "cosine_similarity": 0.7007898688316345 } }, { "source": "CID:4846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9910486", "properties": { "id": "pirenoxine-SB-705498 similarity", "source_label": "pirenoxine", "target_label": "SB-705498", "cosine_similarity": 0.3409723341464996 } }, { "source": "CID:2817908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720272", "properties": { "id": "JFD02227-ST-012015 similarity", "source_label": "JFD02227", "target_label": "ST-012015", "cosine_similarity": 0.2808108031749725 } }, { "source": "CID:5576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "trimethadione-resveratrol similarity", "source_label": "trimethadione", "target_label": "resveratrol", "cosine_similarity": 0.2612591683864593 } }, { "source": "CID:54654560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-1473468-SA-1462678 similarity", "source_label": "SA-1473468", "target_label": "SA-1462678", "cosine_similarity": 0.3099811673164367 } }, { "source": "CID:2482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "butamben-cephalothin similarity", "source_label": "butamben", "target_label": "cephalothin", "cosine_similarity": 0.2635126113891601 } }, { "source": "CID:6604749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "L-689560-evodiamine similarity", "source_label": "L-689560", "target_label": "evodiamine", "cosine_similarity": 0.3378340303897857 } }, { "source": "CID:44505239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-419021-SA-1462678 similarity", "source_label": "SA-419021", "target_label": "SA-1462678", "cosine_similarity": 0.3121865689754486 } }, { "source": "CID:3917094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109069", "properties": { "id": "ST-4070043-NS-3694 similarity", "source_label": "ST-4070043", "target_label": "NS-3694", "cosine_similarity": 0.2131121605634689 } }, { "source": "CID:11822705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "BCL2-inhibitor-pifithrin-mu similarity", "source_label": "BCL2-inhibitor", "target_label": "pifithrin-mu", "cosine_similarity": 0.5555204749107361 } }, { "source": "CID:3765615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "L-152804-fumonisin-b1 similarity", "source_label": "L-152804", "target_label": "fumonisin-b1", "cosine_similarity": 0.3215077519416809 } }, { "source": "CID:5281670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "morin-Gossypetin similarity", "source_label": "morin", "target_label": "Gossypetin", "cosine_similarity": 0.3934927582740783 } }, { "source": "CID:4565183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:658169", "properties": { "id": "gangaleoidin-ST-4028268 similarity", "source_label": "gangaleoidin", "target_label": "ST-4028268", "cosine_similarity": 0.3511113226413727 } }, { "source": "CID:6024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "cephalothin-fisetin similarity", "source_label": "cephalothin", "target_label": "fisetin", "cosine_similarity": 0.4570868611335754 } }, { "source": "CID:6602440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "dehydrocholate-T-5345967 similarity", "source_label": "dehydrocholate", "target_label": "T-5345967", "cosine_similarity": 0.2864443063735962 } }, { "source": "CID:58423153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "AZD-1208-temsirolimus similarity", "source_label": "AZD-1208", "target_label": "temsirolimus", "cosine_similarity": 0.3646067976951599 } }, { "source": "CID:44607360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "WZ-3146-saracatinib similarity", "source_label": "WZ-3146", "target_label": "saracatinib", "cosine_similarity": 0.5287793874740601 } }, { "source": "CID:54657736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SA-1460224-SA-1458689 similarity", "source_label": "SA-1460224", "target_label": "SA-1458689", "cosine_similarity": 0.2594995200634002 } }, { "source": "CID:5280954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9705", "properties": { "id": "rescinnamine-AY-9944 similarity", "source_label": "rescinnamine", "target_label": "AY-9944", "cosine_similarity": 0.2822797894477844 } }, { "source": "CID:5910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449381", "properties": { "id": "pilocarpine-oseltamivir-carboxylate similarity", "source_label": "pilocarpine", "target_label": "oseltamivir-carboxylate", "cosine_similarity": 0.3584908843040466 } }, { "source": "CID:107751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "racecadotril-diazoxide similarity", "source_label": "racecadotril", "target_label": "diazoxide", "cosine_similarity": 0.4222318232059479 } }, { "source": "CID:11950170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "KD-025-MLN-9708 similarity", "source_label": "KD-025", "target_label": "MLN-9708", "cosine_similarity": 0.2216748595237732 } }, { "source": "CID:5280489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13292831", "properties": { "id": "beta-carotene-prostaglandin similarity", "source_label": "beta-carotene", "target_label": "prostaglandin", "cosine_similarity": 0.2601917684078216 } }, { "source": "CID:5311452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "SR-59230A-simvastatin similarity", "source_label": "SR-59230A", "target_label": "simvastatin", "cosine_similarity": 0.3027213811874389 } }, { "source": "CID:16218996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "beclometasone-BG-STK33-55 similarity", "source_label": "beclometasone", "target_label": "BG-STK33-55", "cosine_similarity": 0.3343337178230285 } }, { "source": "CID:8249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "phenformin-benzbromarone similarity", "source_label": "phenformin", "target_label": "benzbromarone", "cosine_similarity": 0.5139128565788269 } }, { "source": "CID:4302962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5447130", "properties": { "id": "AM-281-nitrofural similarity", "source_label": "AM-281", "target_label": "nitrofural", "cosine_similarity": 0.1703568249940872 } }, { "source": "CID:121928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444031", "properties": { "id": "amiprilose-darifenacin similarity", "source_label": "amiprilose", "target_label": "darifenacin", "cosine_similarity": 0.3344487249851227 } }, { "source": "CID:107838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "noreleagnine-polydatin similarity", "source_label": "noreleagnine", "target_label": "polydatin", "cosine_similarity": 0.3105379939079284 } }, { "source": "CID:136238508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "rifapentine-RS-17053 similarity", "source_label": "rifapentine", "target_label": "RS-17053", "cosine_similarity": 0.2499185651540756 } }, { "source": "CID:3549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4829", "properties": { "id": "HA-14-1-pioglitazone similarity", "source_label": "HA-14-1", "target_label": "pioglitazone", "cosine_similarity": 0.2443759590387344 } }, { "source": "CID:2099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "alosetron-MW-MITF28 similarity", "source_label": "alosetron", "target_label": "MW-MITF28", "cosine_similarity": 0.3270309269428253 } }, { "source": "CID:9828429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "proscillaridin-cymarin similarity", "source_label": "proscillaridin", "target_label": "cymarin", "cosine_similarity": 0.8470603823661804 } }, { "source": "CID:22094944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "dinorcitalopram-oxalate-lasalocid similarity", "source_label": "dinorcitalopram-oxalate", "target_label": "lasalocid", "cosine_similarity": 0.2813810706138611 } }, { "source": "CID:6450546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "gavestinel-LFM-A13 similarity", "source_label": "gavestinel", "target_label": "LFM-A13", "cosine_similarity": 0.1777405887842178 } }, { "source": "CID:67475270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3454", "properties": { "id": "LY-3000328-ganciclovir similarity", "source_label": "LY-3000328", "target_label": "ganciclovir", "cosine_similarity": 0.1892889440059662 } }, { "source": "CID:3925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680401", "properties": { "id": "QX-314-MW-SHH-250 similarity", "source_label": "QX-314", "target_label": "MW-SHH-250", "cosine_similarity": 0.2857151329517364 } }, { "source": "CID:2457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "BU-224-zebularine similarity", "source_label": "BU-224", "target_label": "zebularine", "cosine_similarity": 0.3106314837932586 } }, { "source": "CID:5092098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "RU-28318-SA-84512 similarity", "source_label": "RU-28318", "target_label": "SA-84512", "cosine_similarity": 0.2443729192018509 } }, { "source": "CID:3678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62824", "properties": { "id": "alverine-ICI-63197 similarity", "source_label": "alverine", "target_label": "ICI-63197", "cosine_similarity": 0.2345002889633178 } }, { "source": "CID:5186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "scriptaid-vorinostat similarity", "source_label": "scriptaid", "target_label": "vorinostat", "cosine_similarity": 0.9019309282302856 } }, { "source": "CID:60726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "bromfenac-YK-4279 similarity", "source_label": "bromfenac", "target_label": "YK-4279", "cosine_similarity": 0.2541173100471496 } }, { "source": "CID:5328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "sulfamethizole-hydroxyamphetamine similarity", "source_label": "sulfamethizole", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.3294488787651062 } }, { "source": "CID:122718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "usnic-acid-methimazole similarity", "source_label": "usnic-acid", "target_label": "methimazole", "cosine_similarity": 0.216057077050209 } }, { "source": "CID:6018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51371328", "properties": { "id": "tetrabenazine-estramustine similarity", "source_label": "tetrabenazine", "target_label": "estramustine", "cosine_similarity": 0.2430934458971023 } }, { "source": "CID:73333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "amperozide-rottlerin similarity", "source_label": "amperozide", "target_label": "rottlerin", "cosine_similarity": 0.3116841614246368 } }, { "source": "CID:60186945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667575", "properties": { "id": "SA-1938862-SA-1921599 similarity", "source_label": "SA-1938862", "target_label": "SA-1921599", "cosine_similarity": 0.2551140189170837 } }, { "source": "CID:659840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "vesamicol-NSC-23766 similarity", "source_label": "vesamicol", "target_label": "NSC-23766", "cosine_similarity": 0.3523801863193512 } }, { "source": "CID:13817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "benzopurpurin-4b-CGS-21680 similarity", "source_label": "benzopurpurin-4b", "target_label": "CGS-21680", "cosine_similarity": 0.3155210316181183 } }, { "source": "CID:107982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "dihydrocapsaicin-EMF-sumo1-11 similarity", "source_label": "dihydrocapsaicin", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.290996104478836 } }, { "source": "CID:3752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "irsogladine-gatifloxacin similarity", "source_label": "irsogladine", "target_label": "gatifloxacin", "cosine_similarity": 0.3285746574401855 } }, { "source": "CID:44620013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667404", "properties": { "id": "SA-424294-SA-1919877 similarity", "source_label": "SA-424294", "target_label": "SA-1919877", "cosine_similarity": 0.3086751401424408 } }, { "source": "CID:2252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "ATPA-pravastatin similarity", "source_label": "ATPA", "target_label": "pravastatin", "cosine_similarity": 0.2370759695768356 } }, { "source": "CID:4823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "pimobendan-metamizole similarity", "source_label": "pimobendan", "target_label": "metamizole", "cosine_similarity": 0.3204677104949951 } }, { "source": "CID:44112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "bopindolol-zidovudine similarity", "source_label": "bopindolol", "target_label": "zidovudine", "cosine_similarity": 0.4068901836872101 } }, { "source": "CID:34677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107838", "properties": { "id": "2-aminotetralin-noreleagnine similarity", "source_label": "2-aminotetralin", "target_label": "noreleagnine", "cosine_similarity": 0.1963996589183807 } }, { "source": "CID:9810884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610267", "properties": { "id": "Y-39983-EI-231 similarity", "source_label": "Y-39983", "target_label": "EI-231", "cosine_similarity": 0.3757135570049286 } }, { "source": "CID:1088438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "ML-130-mannitol similarity", "source_label": "ML-130", "target_label": "mannitol", "cosine_similarity": 0.2979170382022857 } }, { "source": "CID:6413301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "VLX-600-VU-0410183-2 similarity", "source_label": "VLX-600", "target_label": "VU-0410183-2", "cosine_similarity": 0.6316691040992737 } }, { "source": "CID:42601363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "MW-STK33-22-fumonisin-b1 similarity", "source_label": "MW-STK33-22", "target_label": "fumonisin-b1", "cosine_similarity": 0.3324382901191711 } }, { "source": "CID:2946732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "STK-111867-gossypin similarity", "source_label": "STK-111867", "target_label": "gossypin", "cosine_similarity": 0.3696736693382263 } }, { "source": "CID:3784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "isradipine-dienestrol similarity", "source_label": "isradipine", "target_label": "dienestrol", "cosine_similarity": 0.4219175279140472 } }, { "source": "CID:25124816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "GSK-1904529A-loperamide similarity", "source_label": "GSK-1904529A", "target_label": "loperamide", "cosine_similarity": 0.3407216370105743 } }, { "source": "CID:3025986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "BMS-387032-dinaciclib similarity", "source_label": "BMS-387032", "target_label": "dinaciclib", "cosine_similarity": 0.7717819213867188 } }, { "source": "CID:3917094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:183782", "properties": { "id": "ST-4070043-RS-67333 similarity", "source_label": "ST-4070043", "target_label": "RS-67333", "cosine_similarity": 0.2028209865093231 } }, { "source": "CID:5318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "sulconazole-I-505056 similarity", "source_label": "sulconazole", "target_label": "I-505056", "cosine_similarity": 0.4896366000175476 } }, { "source": "CID:3547", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "fasudil-FTI-276 similarity", "source_label": "fasudil", "target_label": "FTI-276", "cosine_similarity": 0.4282961785793304 } }, { "source": "CID:133076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "RS-67506-rhapontin similarity", "source_label": "RS-67506", "target_label": "rhapontin", "cosine_similarity": 0.242786556482315 } }, { "source": "CID:3052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "diethylcarbamazine-diclofenac similarity", "source_label": "diethylcarbamazine", "target_label": "diclofenac", "cosine_similarity": 0.3836947977542877 } }, { "source": "CID:46209133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38081", "properties": { "id": "omarigliptin-flunixin similarity", "source_label": "omarigliptin", "target_label": "flunixin", "cosine_similarity": 0.2767590880393982 } }, { "source": "CID:167683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2435", "properties": { "id": "leucodin-brimonidine similarity", "source_label": "leucodin", "target_label": "brimonidine", "cosine_similarity": 0.2939172983169555 } }, { "source": "CID:134117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "BP-554-BMS-191011 similarity", "source_label": "BP-554", "target_label": "BMS-191011", "cosine_similarity": 0.3002443313598633 } }, { "source": "CID:60961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "adenosine-cilomilast similarity", "source_label": "adenosine", "target_label": "cilomilast", "cosine_similarity": 0.4245078563690185 } }, { "source": "CID:44618204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19582717", "properties": { "id": "SD-6-035-A7-CHEMBL-1222381 similarity", "source_label": "SD-6-035-A7", "target_label": "CHEMBL-1222381", "cosine_similarity": 0.2557307779788971 } }, { "source": "CID:441314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "miglitol-riociguat similarity", "source_label": "miglitol", "target_label": "riociguat", "cosine_similarity": 0.3087894916534424 } }, { "source": "CID:158781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "olmesartan-gossypin similarity", "source_label": "olmesartan", "target_label": "gossypin", "cosine_similarity": 0.258471667766571 } }, { "source": "CID:456199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60943", "properties": { "id": "PA-824-relcovaptan similarity", "source_label": "PA-824", "target_label": "relcovaptan", "cosine_similarity": 0.245761290192604 } }, { "source": "CID:60194076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "MD-II-008-P-RS-I-002-6 similarity", "source_label": "MD-II-008-P", "target_label": "RS-I-002-6", "cosine_similarity": 0.7989373803138733 } }, { "source": "CID:54659868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659344", "properties": { "id": "SA-1459031-SA-1457415 similarity", "source_label": "SA-1459031", "target_label": "SA-1457415", "cosine_similarity": 0.4330760836601257 } }, { "source": "CID:60700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "topotecan-idarubicin similarity", "source_label": "topotecan", "target_label": "idarubicin", "cosine_similarity": 0.7601781487464905 } }, { "source": "CID:44483885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483932", "properties": { "id": "SA-244237-SA-423862 similarity", "source_label": "SA-244237", "target_label": "SA-423862", "cosine_similarity": 0.3562109470367431 } }, { "source": "CID:23897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "molindone-acrivastine similarity", "source_label": "molindone", "target_label": "acrivastine", "cosine_similarity": 0.4418590366840362 } }, { "source": "CID:5282071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "sirolimus-temsirolimus similarity", "source_label": "sirolimus", "target_label": "temsirolimus", "cosine_similarity": 0.84207683801651 } }, { "source": "CID:5219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "linsidomine-cyclizine similarity", "source_label": "linsidomine", "target_label": "cyclizine", "cosine_similarity": 0.5550992488861084 } }, { "source": "CID:4658599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "VU-0447134-2-SB-203580 similarity", "source_label": "VU-0447134-2", "target_label": "SB-203580", "cosine_similarity": 0.2478715479373932 } }, { "source": "CID:54666591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485323", "properties": { "id": "SA-1922932-SA-86418 similarity", "source_label": "SA-1922932", "target_label": "SA-86418", "cosine_similarity": 0.2567615211009979 } }, { "source": "CID:23760135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3610881", "properties": { "id": "ungerine-EMF-sumo1-5 similarity", "source_label": "ungerine", "target_label": "EMF-sumo1-5", "cosine_similarity": 0.222926452755928 } }, { "source": "CID:25154868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "PF-750-gossypol similarity", "source_label": "PF-750", "target_label": "gossypol", "cosine_similarity": 0.3637409508228302 } }, { "source": "CID:3182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5450", "properties": { "id": "dyphylline-thioperamide similarity", "source_label": "dyphylline", "target_label": "thioperamide", "cosine_similarity": 0.2566300630569458 } }, { "source": "CID:10633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "mestanolone-clocortolone-pivalate similarity", "source_label": "mestanolone", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.1916607022285461 } }, { "source": "CID:25154868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "PF-750-KU-C104486 similarity", "source_label": "PF-750", "target_label": "KU-C104486", "cosine_similarity": 0.3838871419429779 } }, { "source": "CID:123879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4636", "properties": { "id": "ramatroban-oxymetazoline similarity", "source_label": "ramatroban", "target_label": "oxymetazoline", "cosine_similarity": 0.3400411903858185 } }, { "source": "CID:44251479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "VU-0405166-2-DAC-004 similarity", "source_label": "VU-0405166-2", "target_label": "DAC-004", "cosine_similarity": 0.2581760585308075 } }, { "source": "CID:11683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "megestrol-acetate-lasalocid similarity", "source_label": "megestrol-acetate", "target_label": "lasalocid", "cosine_similarity": 0.2433076351881027 } }, { "source": "CID:6603901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "L-2167-zebularine similarity", "source_label": "L-2167", "target_label": "zebularine", "cosine_similarity": 0.293217122554779 } }, { "source": "CID:24856313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "FU-JMBII127B-K784-3187 similarity", "source_label": "FU-JMBII127B", "target_label": "K784-3187", "cosine_similarity": 0.5462548732757568 } }, { "source": "CID:10099206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "LB-42708-deforolimus similarity", "source_label": "LB-42708", "target_label": "deforolimus", "cosine_similarity": 0.4338846802711487 } }, { "source": "CID:171548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119034", "properties": { "id": "biotin-asiatic-acid similarity", "source_label": "biotin", "target_label": "asiatic-acid", "cosine_similarity": 0.2976646721363067 } }, { "source": "CID:8593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "cinchophen-dipyrocetyl similarity", "source_label": "cinchophen", "target_label": "dipyrocetyl", "cosine_similarity": 0.4532610177993774 } }, { "source": "CID:4723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281040", "properties": { "id": "pemoline-montelukast similarity", "source_label": "pemoline", "target_label": "montelukast", "cosine_similarity": 0.3179360032081604 } }, { "source": "CID:2094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "allopurinol-idelalisib similarity", "source_label": "allopurinol", "target_label": "idelalisib", "cosine_similarity": 0.3185175061225891 } }, { "source": "CID:122272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2315", "properties": { "id": "BMS-182874-bendroflumethiazide similarity", "source_label": "BMS-182874", "target_label": "bendroflumethiazide", "cosine_similarity": 0.2638247907161712 } }, { "source": "CID:26596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "parbendazole-D-64131 similarity", "source_label": "parbendazole", "target_label": "D-64131", "cosine_similarity": 0.8782477974891663 } }, { "source": "CID:9955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "2-aminopurine-imiquimod similarity", "source_label": "2-aminopurine", "target_label": "imiquimod", "cosine_similarity": 0.2317306697368621 } }, { "source": "CID:3331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122335", "properties": { "id": "felbamate-efaproxiral similarity", "source_label": "felbamate", "target_label": "efaproxiral", "cosine_similarity": 0.3861814439296722 } }, { "source": "CID:50599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "didanosine-diazoxide similarity", "source_label": "didanosine", "target_label": "diazoxide", "cosine_similarity": 0.1969234496355056 } }, { "source": "CID:9884685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "PI-103-KU-0063794 similarity", "source_label": "PI-103", "target_label": "KU-0063794", "cosine_similarity": 0.8441701531410217 } }, { "source": "CID:3135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330535", "properties": { "id": "SU-4312-D-64406 similarity", "source_label": "SU-4312", "target_label": "D-64406", "cosine_similarity": 0.210512101650238 } }, { "source": "CID:5212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "sildenafil-bucladesine similarity", "source_label": "sildenafil", "target_label": "bucladesine", "cosine_similarity": 0.4449403882026672 } }, { "source": "CID:5400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "TER-14687-AG-957 similarity", "source_label": "TER-14687", "target_label": "AG-957", "cosine_similarity": 0.4013237059116363 } }, { "source": "CID:65909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "zaldaride-clobetasol similarity", "source_label": "zaldaride", "target_label": "clobetasol", "cosine_similarity": 0.3450139462947845 } }, { "source": "CID:16760044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11442891", "properties": { "id": "latrunculin-b-danusertib similarity", "source_label": "latrunculin-b", "target_label": "danusertib", "cosine_similarity": 0.4378874599933624 } }, { "source": "CID:6410758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "cefatrizine-SJ-172550 similarity", "source_label": "cefatrizine", "target_label": "SJ-172550", "cosine_similarity": 0.3120259642601013 } }, { "source": "CID:16004692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "macitentan-lasalocid similarity", "source_label": "macitentan", "target_label": "lasalocid", "cosine_similarity": 0.7547203898429871 } }, { "source": "CID:73214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5734", "properties": { "id": "eperezolid-zonisamide similarity", "source_label": "eperezolid", "target_label": "zonisamide", "cosine_similarity": 0.4035238027572632 } }, { "source": "CID:56599306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3652", "properties": { "id": "pilaralisib-hydroxychloroquine similarity", "source_label": "pilaralisib", "target_label": "hydroxychloroquine", "cosine_similarity": 0.3236005902290344 } }, { "source": "CID:8567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3516", "properties": { "id": "meglumine-guaifenesin similarity", "source_label": "meglumine", "target_label": "guaifenesin", "cosine_similarity": 0.2040828168392181 } }, { "source": "CID:4260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:938", "properties": { "id": "moxisylyte-niacin similarity", "source_label": "moxisylyte", "target_label": "niacin", "cosine_similarity": 0.3778676688671112 } }, { "source": "CID:54657705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-1459172-SA-85148 similarity", "source_label": "SA-1459172", "target_label": "SA-85148", "cosine_similarity": 0.4863992631435394 } }, { "source": "CID:51003702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21100", "properties": { "id": "ARG-CSC2-23-metanephrine similarity", "source_label": "ARG-CSC2-23", "target_label": "metanephrine", "cosine_similarity": 0.2614029049873352 } }, { "source": "CID:3342390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9592990", "properties": { "id": "K-788-2192-BAS-00535043 similarity", "source_label": "K-788-2192", "target_label": "BAS-00535043", "cosine_similarity": 0.3039270937442779 } }, { "source": "CID:675434", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "IU1-pravastatin similarity", "source_label": "IU1", "target_label": "pravastatin", "cosine_similarity": 0.2755947411060333 } }, { "source": "CID:3038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "diclofenamide-Gossypetin similarity", "source_label": "diclofenamide", "target_label": "Gossypetin", "cosine_similarity": 0.3331853151321411 } }, { "source": "CID:4261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609955", "properties": { "id": "entinostat-resminostat similarity", "source_label": "entinostat", "target_label": "resminostat", "cosine_similarity": 0.5527547597885132 } }, { "source": "CID:73707593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44295709", "properties": { "id": "JMV-431-RTI-55 similarity", "source_label": "JMV-431", "target_label": "RTI-55", "cosine_similarity": 0.2502132952213287 } }, { "source": "CID:6185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "strophanthidin-cinobufagin similarity", "source_label": "strophanthidin", "target_label": "cinobufagin", "cosine_similarity": 0.8042961955070496 } }, { "source": "CID:9549213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "PU-H71-geldanamycin similarity", "source_label": "PU-H71", "target_label": "geldanamycin", "cosine_similarity": 0.8058242201805115 } }, { "source": "CID:71317558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "niguldipine-obatoclax similarity", "source_label": "niguldipine", "target_label": "obatoclax", "cosine_similarity": 0.6069267392158508 } }, { "source": "CID:3111211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "ML-213-tirasemtiv similarity", "source_label": "ML-213", "target_label": "tirasemtiv", "cosine_similarity": 0.2408436238765716 } }, { "source": "CID:124334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "PIT-pravastatin similarity", "source_label": "PIT", "target_label": "pravastatin", "cosine_similarity": 0.2833229601383209 } }, { "source": "CID:60823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "atorvastatin-raloxifene similarity", "source_label": "atorvastatin", "target_label": "raloxifene", "cosine_similarity": 0.6568001508712769 } }, { "source": "CID:9826308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "GW-843682X-parbendazole similarity", "source_label": "GW-843682X", "target_label": "parbendazole", "cosine_similarity": 0.5872092247009277 } }, { "source": "CID:7456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128563", "properties": { "id": "methylparaben-salvinorin-a similarity", "source_label": "methylparaben", "target_label": "salvinorin-a", "cosine_similarity": 0.2310405224561691 } }, { "source": "CID:178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "acetamide-sildenafil similarity", "source_label": "acetamide", "target_label": "sildenafil", "cosine_similarity": 0.3451503217220306 } }, { "source": "CID:6466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914273", "properties": { "id": "MD-920-dantrolene similarity", "source_label": "MD-920", "target_label": "dantrolene", "cosine_similarity": 0.4020774662494659 } }, { "source": "CID:20039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "dideoxyadenosine-lorcaserin similarity", "source_label": "dideoxyadenosine", "target_label": "lorcaserin", "cosine_similarity": 0.5206957459449768 } }, { "source": "CID:1456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441724", "properties": { "id": "ODQ-delcorine similarity", "source_label": "ODQ", "target_label": "delcorine", "cosine_similarity": 0.2453556060791015 } }, { "source": "CID:49849932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "DM-163-DAC-012 similarity", "source_label": "DM-163", "target_label": "DAC-012", "cosine_similarity": 0.2783946096897125 } }, { "source": "CID:6759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "riboflavin-BMS-191011 similarity", "source_label": "riboflavin", "target_label": "BMS-191011", "cosine_similarity": 0.3040845096111297 } }, { "source": "CID:11949646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "empagliflozin-anandamide similarity", "source_label": "empagliflozin", "target_label": "anandamide", "cosine_similarity": 0.3037174046039581 } }, { "source": "CID:60852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "ibandronic-acid-DR-2313 similarity", "source_label": "ibandronic-acid", "target_label": "DR-2313", "cosine_similarity": 0.1916320770978927 } }, { "source": "CID:4463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "nevirapine-aminoguanidine similarity", "source_label": "nevirapine", "target_label": "aminoguanidine", "cosine_similarity": 0.480123370885849 } }, { "source": "CID:3779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3762", "properties": { "id": "isoprenaline-isoetharine similarity", "source_label": "isoprenaline", "target_label": "isoetharine", "cosine_similarity": 0.2603289783000946 } }, { "source": "CID:3314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482", "properties": { "id": "eugenol-tioconazole similarity", "source_label": "eugenol", "target_label": "tioconazole", "cosine_similarity": 0.425176054239273 } }, { "source": "CID:4493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659840", "properties": { "id": "nilutamide-vesamicol similarity", "source_label": "nilutamide", "target_label": "vesamicol", "cosine_similarity": 0.2304491847753524 } }, { "source": "CID:154257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "bazedoxifene-BIBU-1361 similarity", "source_label": "bazedoxifene", "target_label": "BIBU-1361", "cosine_similarity": 0.3827337026596069 } }, { "source": "CID:35370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "zidovudine-iguratimod similarity", "source_label": "zidovudine", "target_label": "iguratimod", "cosine_similarity": 0.4124343991279602 } }, { "source": "CID:49849909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "DM-161-NSC-23766 similarity", "source_label": "DM-161", "target_label": "NSC-23766", "cosine_similarity": 0.3293392360210418 } }, { "source": "CID:44505045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-419050-SA-84905 similarity", "source_label": "SA-419050", "target_label": "SA-84905", "cosine_similarity": 0.3550143241882324 } }, { "source": "CID:135659046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "salermide-niclosamide similarity", "source_label": "salermide", "target_label": "niclosamide", "cosine_similarity": 0.5900036096572876 } }, { "source": "CID:23817956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "hydralazine-chloroquine similarity", "source_label": "hydralazine", "target_label": "chloroquine", "cosine_similarity": 0.2233724147081375 } }, { "source": "CID:97807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "safrolglycol-7-nitroindazole similarity", "source_label": "safrolglycol", "target_label": "7-nitroindazole", "cosine_similarity": 0.3093657493591308 } }, { "source": "CID:3111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "metamizole-aliskiren similarity", "source_label": "metamizole", "target_label": "aliskiren", "cosine_similarity": 0.4258216321468353 } }, { "source": "CID:46215815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "GSK-2334470-taselisib similarity", "source_label": "GSK-2334470", "target_label": "taselisib", "cosine_similarity": 0.6481720209121704 } }, { "source": "CID:4396344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "5'-guanidinonaltrindole-hypericin similarity", "source_label": "5'-guanidinonaltrindole", "target_label": "hypericin", "cosine_similarity": 0.274993896484375 } }, { "source": "CID:353825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "graveoline-SA-90471 similarity", "source_label": "graveoline", "target_label": "SA-90471", "cosine_similarity": 0.2545244991779327 } }, { "source": "CID:3229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899", "properties": { "id": "enoxacin-leflunomide similarity", "source_label": "enoxacin", "target_label": "leflunomide", "cosine_similarity": 0.2868200540542602 } }, { "source": "CID:44640176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "KU-C104493-CAY-10618 similarity", "source_label": "KU-C104493", "target_label": "CAY-10618", "cosine_similarity": 0.5127385258674622 } }, { "source": "CID:91469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123619", "properties": { "id": "equol-etoricoxib similarity", "source_label": "equol", "target_label": "etoricoxib", "cosine_similarity": 0.3817950785160064 } }, { "source": "CID:54666569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16095342", "properties": { "id": "SA-1920013-GSK-269962 similarity", "source_label": "SA-1920013", "target_label": "GSK-269962", "cosine_similarity": 0.3067350387573242 } }, { "source": "CID:44591583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610344", "properties": { "id": "AN-2728-forskolin similarity", "source_label": "AN-2728", "target_label": "forskolin", "cosine_similarity": 0.1635172218084335 } }, { "source": "CID:3883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "lansoprazole-SA-85268 similarity", "source_label": "lansoprazole", "target_label": "SA-85268", "cosine_similarity": 0.2698027491569519 } }, { "source": "CID:13711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "torcitabine-rutin similarity", "source_label": "torcitabine", "target_label": "rutin", "cosine_similarity": 0.3996075391769409 } }, { "source": "CID:6604471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918736", "properties": { "id": "methiazole-rigosertib similarity", "source_label": "methiazole", "target_label": "rigosertib", "cosine_similarity": 0.4667374491691589 } }, { "source": "CID:6708518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "ambelline-leu-enkephalin similarity", "source_label": "ambelline", "target_label": "leu-enkephalin", "cosine_similarity": 0.2532654404640198 } }, { "source": "CID:753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "glycerol-mannitol similarity", "source_label": "glycerol", "target_label": "mannitol", "cosine_similarity": 0.2921164929866791 } }, { "source": "CID:46216796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25062766", "properties": { "id": "pacritinib-CYT-387 similarity", "source_label": "pacritinib", "target_label": "CYT-387", "cosine_similarity": 0.4147042632102966 } }, { "source": "CID:3926765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "amsacrine-irinotecan similarity", "source_label": "amsacrine", "target_label": "irinotecan", "cosine_similarity": 0.8042207956314087 } }, { "source": "CID:2333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5042", "properties": { "id": "benzbromarone-rebamipide similarity", "source_label": "benzbromarone", "target_label": "rebamipide", "cosine_similarity": 0.5197944045066833 } }, { "source": "CID:11631681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24748573", "properties": { "id": "Ro-3306-CX-4945 similarity", "source_label": "Ro-3306", "target_label": "CX-4945", "cosine_similarity": 0.4160879254341125 } }, { "source": "CID:24086306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "I-070759-tyrphostin-A9 similarity", "source_label": "I-070759", "target_label": "tyrphostin-A9", "cosine_similarity": 0.7354515194892883 } }, { "source": "CID:121926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "ZK-93423-SA-1973507 similarity", "source_label": "ZK-93423", "target_label": "SA-1973507", "cosine_similarity": 0.4752656817436218 } }, { "source": "CID:44500663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-89763-SA-1458610 similarity", "source_label": "SA-89763", "target_label": "SA-1458610", "cosine_similarity": 0.4744707643985748 } }, { "source": "CID:25154867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927531", "properties": { "id": "PF-3845-BIBR-1532 similarity", "source_label": "PF-3845", "target_label": "BIBR-1532", "cosine_similarity": 0.4117838144302368 } }, { "source": "CID:54385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5522", "properties": { "id": "levocabastine-tracazolate similarity", "source_label": "levocabastine", "target_label": "tracazolate", "cosine_similarity": 0.375519186258316 } }, { "source": "CID:100016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "zebularine-Gly-Gly-PALO similarity", "source_label": "zebularine", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4906428456306457 } }, { "source": "CID:3324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "famciclovir-zolpidem similarity", "source_label": "famciclovir", "target_label": "zolpidem", "cosine_similarity": 0.4840362668037414 } }, { "source": "CID:57519544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "wnt-c59-marbofloxacin similarity", "source_label": "wnt-c59", "target_label": "marbofloxacin", "cosine_similarity": 0.3435587286949157 } }, { "source": "CID:44484569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-423167-SA-419090 similarity", "source_label": "SA-423167", "target_label": "SA-419090", "cosine_similarity": 0.217777132987976 } }, { "source": "CID:24868317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918030", "properties": { "id": "UCL-2077-GR-32191 similarity", "source_label": "UCL-2077", "target_label": "GR-32191", "cosine_similarity": 0.2525561451911926 } }, { "source": "CID:3035714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "ABT-751-nocodazole similarity", "source_label": "ABT-751", "target_label": "nocodazole", "cosine_similarity": 0.9012510776519777 } }, { "source": "CID:44251485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "VU-0405172-2-JAS07-006 similarity", "source_label": "VU-0405172-2", "target_label": "JAS07-006", "cosine_similarity": 0.4079096913337707 } }, { "source": "CID:638024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:110635", "properties": { "id": "piperine-tadalafil similarity", "source_label": "piperine", "target_label": "tadalafil", "cosine_similarity": 0.1947772800922393 } }, { "source": "CID:24747176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "PSH-021-triprolidine similarity", "source_label": "PSH-021", "target_label": "triprolidine", "cosine_similarity": 0.2570622861385345 } }, { "source": "CID:2155128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "IWP-2-sparfosic-acid similarity", "source_label": "IWP-2", "target_label": "sparfosic-acid", "cosine_similarity": 0.5684859752655029 } }, { "source": "CID:4993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "pyrimethamine-methotrexate similarity", "source_label": "pyrimethamine", "target_label": "methotrexate", "cosine_similarity": 0.4252593517303467 } }, { "source": "CID:2345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549000", "properties": { "id": "benzyl-benzoate-levocetirizine similarity", "source_label": "benzyl-benzoate", "target_label": "levocetirizine", "cosine_similarity": 0.1891847401857376 } }, { "source": "CID:129010078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "triptolide-CGP-60474 similarity", "source_label": "triptolide", "target_label": "CGP-60474", "cosine_similarity": 0.8207535147666931 } }, { "source": "CID:9841972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "BRL-37344-FTI-276 similarity", "source_label": "BRL-37344", "target_label": "FTI-276", "cosine_similarity": 0.3350009620189667 } }, { "source": "CID:73707437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3339", "properties": { "id": "YL-53-fenofibrate similarity", "source_label": "YL-53", "target_label": "fenofibrate", "cosine_similarity": 0.2567698359489441 } }, { "source": "CID:5053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3106", "properties": { "id": "resmethrin-dipropyl-dopamine similarity", "source_label": "resmethrin", "target_label": "dipropyl-dopamine", "cosine_similarity": 0.2211229652166366 } }, { "source": "CID:6560164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033637", "properties": { "id": "azlocillin-nizatidine similarity", "source_label": "azlocillin", "target_label": "nizatidine", "cosine_similarity": 0.3051534295082092 } }, { "source": "CID:4649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6049", "properties": { "id": "aminosalicylic-acid-ethylenediaminetetraacetic-acid similarity", "source_label": "aminosalicylic-acid", "target_label": "ethylenediaminetetraacetic-acid", "cosine_similarity": 0.4065634310245514 } }, { "source": "CID:20299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "tridihexethyl-meclofenamic-acid similarity", "source_label": "tridihexethyl", "target_label": "meclofenamic-acid", "cosine_similarity": 0.2682340443134308 } }, { "source": "CID:73707399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "SA-1458571-VER-155008 similarity", "source_label": "SA-1458571", "target_label": "VER-155008", "cosine_similarity": 0.2817673683166504 } }, { "source": "CID:58573469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53358942", "properties": { "id": "AMG-232-RG-7388 similarity", "source_label": "AMG-232", "target_label": "RG-7388", "cosine_similarity": 0.5444454550743103 } }, { "source": "CID:44494796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-97378-SA-427604 similarity", "source_label": "SA-97378", "target_label": "SA-427604", "cosine_similarity": 0.3898279368877411 } }, { "source": "CID:65664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "artesunate-azacitidine similarity", "source_label": "artesunate", "target_label": "azacitidine", "cosine_similarity": 0.4796767234802246 } }, { "source": "CID:7029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "amfepramone-fomepizole similarity", "source_label": "amfepramone", "target_label": "fomepizole", "cosine_similarity": 0.2877432703971863 } }, { "source": "CID:46912230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44516953", "properties": { "id": "SB-2343-PF-05212384 similarity", "source_label": "SB-2343", "target_label": "PF-05212384", "cosine_similarity": 0.7265859842300415 } }, { "source": "CID:10050129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "demeclocycline-gliclazide similarity", "source_label": "demeclocycline", "target_label": "gliclazide", "cosine_similarity": 0.3327611684799194 } }, { "source": "CID:10077147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "BX-795-amsacrine similarity", "source_label": "BX-795", "target_label": "amsacrine", "cosine_similarity": 0.4036333560943603 } }, { "source": "CID:5281365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720272", "properties": { "id": "geranylgeraniol-ST-012015 similarity", "source_label": "geranylgeraniol", "target_label": "ST-012015", "cosine_similarity": 0.2170385122299194 } }, { "source": "CID:6009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2973", "properties": { "id": "amidopyrine-deferoxamine-mesylate similarity", "source_label": "amidopyrine", "target_label": "deferoxamine-mesylate", "cosine_similarity": 0.7495033740997314 } }, { "source": "CID:56654642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "RG-2833-SA-247714 similarity", "source_label": "RG-2833", "target_label": "SA-247714", "cosine_similarity": 0.3841821551322937 } }, { "source": "CID:24905203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "PP-110-PP-2 similarity", "source_label": "PP-110", "target_label": "PP-2", "cosine_similarity": 0.7127458453178406 } }, { "source": "CID:5311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "vorinostat-PCI-24781 similarity", "source_label": "vorinostat", "target_label": "PCI-24781", "cosine_similarity": 0.9136420488357544 } }, { "source": "CID:708857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "pyrantel-pamoate-dipyrocetyl similarity", "source_label": "pyrantel-pamoate", "target_label": "dipyrocetyl", "cosine_similarity": 0.2931097447872162 } }, { "source": "CID:9830392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "WAY-170523-VU-0418946-1 similarity", "source_label": "WAY-170523", "target_label": "VU-0418946-1", "cosine_similarity": 0.5756311416625977 } }, { "source": "CID:10154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "boldine-MW-MITF28 similarity", "source_label": "boldine", "target_label": "MW-MITF28", "cosine_similarity": 0.3012230396270752 } }, { "source": "CID:44602406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6410758", "properties": { "id": "KU-C104131-cefatrizine similarity", "source_label": "KU-C104131", "target_label": "cefatrizine", "cosine_similarity": 0.2299415171146392 } }, { "source": "CID:60953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "capecitabine-cilostazol similarity", "source_label": "capecitabine", "target_label": "cilostazol", "cosine_similarity": 0.422881543636322 } }, { "source": "CID:3953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "lonidamine-resveratrol similarity", "source_label": "lonidamine", "target_label": "resveratrol", "cosine_similarity": 0.3542965650558471 } }, { "source": "CID:123619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "etoricoxib-tiapride similarity", "source_label": "etoricoxib", "target_label": "tiapride", "cosine_similarity": 0.4342193603515625 } }, { "source": "CID:44497312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "SD-6-035-B3-MW-MITF9 similarity", "source_label": "SD-6-035-B3", "target_label": "MW-MITF9", "cosine_similarity": 0.2759548425674438 } }, { "source": "CID:7108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "phenothiazine-ML-161 similarity", "source_label": "phenothiazine", "target_label": "ML-161", "cosine_similarity": 0.4937401711940765 } }, { "source": "CID:3080554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2129", "properties": { "id": "homoquinolinic-acid-AM-92016 similarity", "source_label": "homoquinolinic-acid", "target_label": "AM-92016", "cosine_similarity": 0.2653303444385528 } }, { "source": "CID:4235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "moclobemide-ABT-202 similarity", "source_label": "moclobemide", "target_label": "ABT-202", "cosine_similarity": 0.3945752680301666 } }, { "source": "CID:4445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "rhodomyrtoxin-rhodomyrtoxin-b similarity", "source_label": "rhodomyrtoxin", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.4400793612003326 } }, { "source": "CID:132252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "CGP-52432-7-nitroindazole similarity", "source_label": "CGP-52432", "target_label": "7-nitroindazole", "cosine_similarity": 0.3080655336380005 } }, { "source": "CID:10206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "cepharanthine-BIBU-1361 similarity", "source_label": "cepharanthine", "target_label": "BIBU-1361", "cosine_similarity": 0.4276967942714691 } }, { "source": "CID:46233311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439620", "properties": { "id": "GSK-0660-oxalomalic-acid similarity", "source_label": "GSK-0660", "target_label": "oxalomalic-acid", "cosine_similarity": 0.2818692028522491 } }, { "source": "CID:4788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "phloretin-Ro-28-1675 similarity", "source_label": "phloretin", "target_label": "Ro-28-1675", "cosine_similarity": 0.4280438423156738 } }, { "source": "CID:44506448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "BG-1004-vorinostat similarity", "source_label": "BG-1004", "target_label": "vorinostat", "cosine_similarity": 0.5800994634628296 } }, { "source": "CID:10436840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "NH-125-vemurafenib similarity", "source_label": "NH-125", "target_label": "vemurafenib", "cosine_similarity": 0.2517814338207245 } }, { "source": "CID:2717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "chlormezanone-sodium-gualenate similarity", "source_label": "chlormezanone", "target_label": "sodium-gualenate", "cosine_similarity": 0.3468700051307678 } }, { "source": "CID:70680399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "MW-SHH-54-LY-2886721 similarity", "source_label": "MW-SHH-54", "target_label": "LY-2886721", "cosine_similarity": 0.3036868572235107 } }, { "source": "CID:3473417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "VU-0447126-2-BMS-641988 similarity", "source_label": "VU-0447126-2", "target_label": "BMS-641988", "cosine_similarity": 0.2688509821891784 } }, { "source": "CID:4994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "pyrithyldione-2-phenylmelatonin similarity", "source_label": "pyrithyldione", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.3055362403392792 } }, { "source": "CID:6604893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "DFB-sumatriptan similarity", "source_label": "DFB", "target_label": "sumatriptan", "cosine_similarity": 0.2694095969200134 } }, { "source": "CID:393595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2690", "properties": { "id": "MRS-1220-CGS-15943 similarity", "source_label": "MRS-1220", "target_label": "CGS-15943", "cosine_similarity": 0.5107859969139099 } }, { "source": "CID:771910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956145", "properties": { "id": "ITSA-1-GGTI-297 similarity", "source_label": "ITSA-1", "target_label": "GGTI-297", "cosine_similarity": 0.3142206966876983 } }, { "source": "CID:60511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "remacemide-XAV-939 similarity", "source_label": "remacemide", "target_label": "XAV-939", "cosine_similarity": 0.3430478572845459 } }, { "source": "CID:44828478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4031", "properties": { "id": "KUC104547N-mebeverine similarity", "source_label": "KUC104547N", "target_label": "mebeverine", "cosine_similarity": 0.2035129517316818 } }, { "source": "CID:44498994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-96835-SA-1925610 similarity", "source_label": "SA-96835", "target_label": "SA-1925610", "cosine_similarity": 0.4425776600837707 } }, { "source": "CID:46199207", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "stemregenin-1-vemurafenib similarity", "source_label": "stemregenin-1", "target_label": "vemurafenib", "cosine_similarity": 0.3198889791965484 } }, { "source": "CID:2755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "cimaterol-KU-C104248 similarity", "source_label": "cimaterol", "target_label": "KU-C104248", "cosine_similarity": 0.3518857657909393 } }, { "source": "CID:71203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "vinburnine-ketorolac similarity", "source_label": "vinburnine", "target_label": "ketorolac", "cosine_similarity": 0.5437947511672974 } }, { "source": "CID:3401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "flutrimazole-sarcosine similarity", "source_label": "flutrimazole", "target_label": "sarcosine", "cosine_similarity": 0.345304787158966 } }, { "source": "CID:3277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9867770", "properties": { "id": "etazolate-JTE-907 similarity", "source_label": "etazolate", "target_label": "JTE-907", "cosine_similarity": 0.2798182070255279 } }, { "source": "CID:108143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "tamibarotene-orciprenaline similarity", "source_label": "tamibarotene", "target_label": "orciprenaline", "cosine_similarity": 0.4127938449382782 } }, { "source": "CID:11707110", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "trametinib-AZ-628 similarity", "source_label": "trametinib", "target_label": "AZ-628", "cosine_similarity": 0.8107016682624817 } }, { "source": "CID:60923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "quiflapon-rottlerin similarity", "source_label": "quiflapon", "target_label": "rottlerin", "cosine_similarity": 0.4336254894733429 } }, { "source": "CID:54197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9801", "properties": { "id": "ceftazidime-prenylamine similarity", "source_label": "ceftazidime", "target_label": "prenylamine", "cosine_similarity": 0.2688695788383484 } }, { "source": "CID:264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9904", "properties": { "id": "sodium-butyrate-nandrolone similarity", "source_label": "sodium-butyrate", "target_label": "nandrolone", "cosine_similarity": 0.203027531504631 } }, { "source": "CID:2690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "CGS-15943-EMF-sumo1-11 similarity", "source_label": "CGS-15943", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5266525149345398 } }, { "source": "CID:54654560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-1473468-SA-1937536 similarity", "source_label": "SA-1473468", "target_label": "SA-1937536", "cosine_similarity": 0.2972733080387115 } }, { "source": "CID:15592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:188244", "properties": { "id": "1-methylisoquinoline-allantoxanamide similarity", "source_label": "1-methylisoquinoline", "target_label": "allantoxanamide", "cosine_similarity": 0.1961896270513534 } }, { "source": "CID:4122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "nocodazole-ABT-751 similarity", "source_label": "nocodazole", "target_label": "ABT-751", "cosine_similarity": 0.9012510776519777 } }, { "source": "CID:65373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "secoisolariciresinol-myriocin similarity", "source_label": "secoisolariciresinol", "target_label": "myriocin", "cosine_similarity": 0.3136145770549774 } }, { "source": "CID:11219835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "ataluren-acifran similarity", "source_label": "ataluren", "target_label": "acifran", "cosine_similarity": 0.3357878923416137 } }, { "source": "CID:5462501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "enalaprilat-GDC-0199 similarity", "source_label": "enalaprilat", "target_label": "GDC-0199", "cosine_similarity": 0.1806471794843673 } }, { "source": "CID:5324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3450", "properties": { "id": "sulfaguanidine-gallamine similarity", "source_label": "sulfaguanidine", "target_label": "gallamine", "cosine_similarity": 0.228628933429718 } }, { "source": "CID:9926791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "tofacitinib-gliclazide similarity", "source_label": "tofacitinib", "target_label": "gliclazide", "cosine_similarity": 0.6504116058349609 } }, { "source": "CID:3976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "LY-83583-gemfibrozil similarity", "source_label": "LY-83583", "target_label": "gemfibrozil", "cosine_similarity": 0.2619430720806122 } }, { "source": "CID:1370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "CX-516-arbutin similarity", "source_label": "CX-516", "target_label": "arbutin", "cosine_similarity": 0.4066623747348785 } }, { "source": "CID:2777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "CL-82198-MDL-28170 similarity", "source_label": "CL-82198", "target_label": "MDL-28170", "cosine_similarity": 0.2999168336391449 } }, { "source": "CID:6293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "alizarin-ASN-05257430 similarity", "source_label": "alizarin", "target_label": "ASN-05257430", "cosine_similarity": 0.2390026599168777 } }, { "source": "CID:60188101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "RS-I-002-6-MD-II-051 similarity", "source_label": "RS-I-002-6", "target_label": "MD-II-051", "cosine_similarity": 0.7573926448822021 } }, { "source": "CID:2252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "ATPA-CFM-2 similarity", "source_label": "ATPA", "target_label": "CFM-2", "cosine_similarity": 0.2703376412391662 } }, { "source": "CID:126388", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609586", "properties": { "id": "BD-1008-serdemetan similarity", "source_label": "BD-1008", "target_label": "serdemetan", "cosine_similarity": 0.3143268823623657 } }, { "source": "CID:49843054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "SD-6-035-A3-JPR-3-97-17 similarity", "source_label": "SD-6-035-A3", "target_label": "JPR-3-97-17", "cosine_similarity": 0.2996372580528259 } }, { "source": "CID:5284550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "dosulepin-enzastaurin similarity", "source_label": "dosulepin", "target_label": "enzastaurin", "cosine_similarity": 0.272113174200058 } }, { "source": "CID:667484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "etomidate-travoprost similarity", "source_label": "etomidate", "target_label": "travoprost", "cosine_similarity": 0.4205889701843261 } }, { "source": "CID:4306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449241", "properties": { "id": "W-9-H-89 similarity", "source_label": "W-9", "target_label": "H-89", "cosine_similarity": 0.2575497031211853 } }, { "source": "CID:11647372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "ZSTK-474-AZD-8055 similarity", "source_label": "ZSTK-474", "target_label": "AZD-8055", "cosine_similarity": 0.7552409172058105 } }, { "source": "CID:156419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "cinacalcet-rimcazole similarity", "source_label": "cinacalcet", "target_label": "rimcazole", "cosine_similarity": 0.1982814669609069 } }, { "source": "CID:444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "bupropion-DPCPX similarity", "source_label": "bupropion", "target_label": "DPCPX", "cosine_similarity": 0.4194864928722381 } }, { "source": "CID:54660156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668627", "properties": { "id": "SA-1459854-SA-1922659 similarity", "source_label": "SA-1459854", "target_label": "SA-1922659", "cosine_similarity": 0.4819650948047638 } }, { "source": "CID:2762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:110634", "properties": { "id": "cinoxacin-vardenafil similarity", "source_label": "cinoxacin", "target_label": "vardenafil", "cosine_similarity": 0.500464677810669 } }, { "source": "CID:435678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "HLI-373-daunorubicin similarity", "source_label": "HLI-373", "target_label": "daunorubicin", "cosine_similarity": 0.4395022094249725 } }, { "source": "CID:130325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "SA-792709-K784-3187 similarity", "source_label": "SA-792709", "target_label": "K784-3187", "cosine_similarity": 0.6975091099739075 } }, { "source": "CID:2113511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "T-5345967-NSC-23766 similarity", "source_label": "T-5345967", "target_label": "NSC-23766", "cosine_similarity": 0.5023126602172852 } }, { "source": "CID:24996872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "GSK-1292263-orphenadrine similarity", "source_label": "GSK-1292263", "target_label": "orphenadrine", "cosine_similarity": 0.2995979785919189 } }, { "source": "CID:4174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "metyrapone-thiazolopyrimidine similarity", "source_label": "metyrapone", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2636741697788238 } }, { "source": "CID:4740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "pentoxifylline-zebularine similarity", "source_label": "pentoxifylline", "target_label": "zebularine", "cosine_similarity": 0.4268293976783752 } }, { "source": "CID:34312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "oxcarbazepine-PSH-028 similarity", "source_label": "oxcarbazepine", "target_label": "PSH-028", "cosine_similarity": 0.331997275352478 } }, { "source": "CID:8796093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "KU-C103881-CS-2092524 similarity", "source_label": "KU-C103881", "target_label": "CS-2092524", "cosine_similarity": 0.2978912591934204 } }, { "source": "CID:4055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "menadione-BG-FA-0953 similarity", "source_label": "menadione", "target_label": "BG-FA-0953", "cosine_similarity": 0.4445740282535553 } }, { "source": "CID:5501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "todralazine-fluoropyruvate similarity", "source_label": "todralazine", "target_label": "fluoropyruvate", "cosine_similarity": 0.2376495897769928 } }, { "source": "CID:53245449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596134", "properties": { "id": "TUL_XIX002-TUL_XXI035 similarity", "source_label": "TUL_XIX002", "target_label": "TUL_XXI035", "cosine_similarity": 0.7304354906082153 } }, { "source": "CID:259329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "estramustine-phosphate-saxagliptin similarity", "source_label": "estramustine-phosphate", "target_label": "saxagliptin", "cosine_similarity": 0.5099271535873413 } }, { "source": "CID:26248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "diacerein-phenylacetylglutamine similarity", "source_label": "diacerein", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.3729146718978882 } }, { "source": "CID:44488016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186824", "properties": { "id": "SA-94315-SA-1938820 similarity", "source_label": "SA-94315", "target_label": "SA-1938820", "cosine_similarity": 0.3832086324691772 } }, { "source": "CID:5833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25073775", "properties": { "id": "spironolactone-VS-4718 similarity", "source_label": "spironolactone", "target_label": "VS-4718", "cosine_similarity": 0.2869633734226227 } }, { "source": "CID:3450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284550", "properties": { "id": "gallamine-dosulepin similarity", "source_label": "gallamine", "target_label": "dosulepin", "cosine_similarity": 0.1819657087326049 } }, { "source": "CID:7534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4939", "properties": { "id": "eucatropine-propidium similarity", "source_label": "eucatropine", "target_label": "propidium", "cosine_similarity": 0.2599484622478485 } }, { "source": "CID:2366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "betahistine-mirtazapine similarity", "source_label": "betahistine", "target_label": "mirtazapine", "cosine_similarity": 0.2721017599105835 } }, { "source": "CID:124704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "pyrazinoylguanidine-saxagliptin similarity", "source_label": "pyrazinoylguanidine", "target_label": "saxagliptin", "cosine_similarity": 0.4809863865375519 } }, { "source": "CID:135882970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "BG-1019-glutamine similarity", "source_label": "BG-1019", "target_label": "glutamine", "cosine_similarity": 0.2098609060049057 } }, { "source": "CID:2950007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5597", "properties": { "id": "ML-141-troxipide similarity", "source_label": "ML-141", "target_label": "troxipide", "cosine_similarity": 0.2147878259420395 } }, { "source": "CID:24747195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "PSH-026-KU-C103428N similarity", "source_label": "PSH-026", "target_label": "KU-C103428N", "cosine_similarity": 0.3140850663185119 } }, { "source": "CID:135412795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "bentazepam-parbendazole similarity", "source_label": "bentazepam", "target_label": "parbendazole", "cosine_similarity": 0.4967510998249054 } }, { "source": "CID:5405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "terfenadine-NNC-55-0396 similarity", "source_label": "terfenadine", "target_label": "NNC-55-0396", "cosine_similarity": 0.7171809077262878 } }, { "source": "CID:11955716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736529", "properties": { "id": "AT-13387-BIIB-021 similarity", "source_label": "AT-13387", "target_label": "BIIB-021", "cosine_similarity": 0.8924798369407654 } }, { "source": "CID:5491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "tetramethylsilane-zolpidem similarity", "source_label": "tetramethylsilane", "target_label": "zolpidem", "cosine_similarity": 0.3023471236228943 } }, { "source": "CID:3906894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "WAY-161503-gossypin similarity", "source_label": "WAY-161503", "target_label": "gossypin", "cosine_similarity": 0.2656089067459106 } }, { "source": "CID:44497527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-96805-SA-427604 similarity", "source_label": "SA-96805", "target_label": "SA-427604", "cosine_similarity": 0.4555554091930389 } }, { "source": "CID:71317162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "GSK-1059615-AZD-8055 similarity", "source_label": "GSK-1059615", "target_label": "AZD-8055", "cosine_similarity": 0.7438575029373169 } }, { "source": "CID:133076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "RS-67506-ST-209453 similarity", "source_label": "RS-67506", "target_label": "ST-209453", "cosine_similarity": 0.2428897768259048 } }, { "source": "CID:25109985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5218788", "properties": { "id": "SJB-shh-31-SIB-1757 similarity", "source_label": "SJB-shh-31", "target_label": "SIB-1757", "cosine_similarity": 0.2787339389324188 } }, { "source": "CID:5819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "levothyroxine-bicalutamide similarity", "source_label": "levothyroxine", "target_label": "bicalutamide", "cosine_similarity": 0.4012401401996612 } }, { "source": "CID:6732844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "ST-023431-pepstatin similarity", "source_label": "ST-023431", "target_label": "pepstatin", "cosine_similarity": 0.3671747148036957 } }, { "source": "CID:135882970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5153532", "properties": { "id": "BG-1019-BG-1021 similarity", "source_label": "BG-1019", "target_label": "BG-1021", "cosine_similarity": 0.2117134481668472 } }, { "source": "CID:44483270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "ouabain-proscillaridin similarity", "source_label": "ouabain", "target_label": "proscillaridin", "cosine_similarity": 0.9283197522163392 } }, { "source": "CID:45259136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "VU-0415010-MW-STK33-4C similarity", "source_label": "VU-0415010", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3143076598644256 } }, { "source": "CID:91896203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "ST-4070169-parthenolide similarity", "source_label": "ST-4070169", "target_label": "parthenolide", "cosine_similarity": 0.2704122364521026 } }, { "source": "CID:46196517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "EVP-6124-carbamazepine similarity", "source_label": "EVP-6124", "target_label": "carbamazepine", "cosine_similarity": 0.2962603569030761 } }, { "source": "CID:56962337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "SGC-0946-ME-0328 similarity", "source_label": "SGC-0946", "target_label": "ME-0328", "cosine_similarity": 0.4633534848690033 } }, { "source": "CID:4976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918493", "properties": { "id": "protriptyline-ambrisentan similarity", "source_label": "protriptyline", "target_label": "ambrisentan", "cosine_similarity": 0.4216957092285156 } }, { "source": "CID:2484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:69550", "properties": { "id": "butenafine-acefylline similarity", "source_label": "butenafine", "target_label": "acefylline", "cosine_similarity": 0.1618247032165527 } }, { "source": "CID:56962337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "SGC-0946-gimeracil similarity", "source_label": "SGC-0946", "target_label": "gimeracil", "cosine_similarity": 0.413837194442749 } }, { "source": "CID:4633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "oxybuprocaine-PSI-6130 similarity", "source_label": "oxybuprocaine", "target_label": "PSI-6130", "cosine_similarity": 0.4319417178630829 } }, { "source": "CID:2888950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702199", "properties": { "id": "MW-A1-6-antimycin-a similarity", "source_label": "MW-A1-6", "target_label": "antimycin-a", "cosine_similarity": 0.231337159872055 } }, { "source": "CID:441243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11984561", "properties": { "id": "saquinavir-TH-302 similarity", "source_label": "saquinavir", "target_label": "TH-302", "cosine_similarity": 0.2825432419776916 } }, { "source": "CID:3585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487334", "properties": { "id": "hemicholinium-3-SA-89705 similarity", "source_label": "hemicholinium-3", "target_label": "SA-89705", "cosine_similarity": 0.436621218919754 } }, { "source": "CID:60606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593870", "properties": { "id": "clopidogrel-KU-C103885 similarity", "source_label": "clopidogrel", "target_label": "KU-C103885", "cosine_similarity": 0.3290137946605682 } }, { "source": "CID:4737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:698112", "properties": { "id": "pentobarbital-AEG-3482 similarity", "source_label": "pentobarbital", "target_label": "AEG-3482", "cosine_similarity": 0.2441094517707824 } }, { "source": "CID:451668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "decitabine-SN-38 similarity", "source_label": "decitabine", "target_label": "SN-38", "cosine_similarity": 0.3809777200222015 } }, { "source": "CID:54841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6337614", "properties": { "id": "atomoxetine-palonosetron similarity", "source_label": "atomoxetine", "target_label": "palonosetron", "cosine_similarity": 0.277889609336853 } }, { "source": "CID:46926575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604887", "properties": { "id": "MW-A1-14-Ro-25-6981 similarity", "source_label": "MW-A1-14", "target_label": "Ro-25-6981", "cosine_similarity": 0.2957165241241455 } }, { "source": "CID:322968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "PRIMA1-prima-1-met similarity", "source_label": "PRIMA1", "target_label": "prima-1-met", "cosine_similarity": 0.5820764303207397 } }, { "source": "CID:54841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "atomoxetine-tafamidis-meglumine similarity", "source_label": "atomoxetine", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.3212082982063293 } }, { "source": "CID:23725625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3385", "properties": { "id": "olaparib-fluorouracil similarity", "source_label": "olaparib", "target_label": "fluorouracil", "cosine_similarity": 0.396178662776947 } }, { "source": "CID:658169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "ST-4028268-gliclazide similarity", "source_label": "ST-4028268", "target_label": "gliclazide", "cosine_similarity": 0.437847763299942 } }, { "source": "CID:3157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "doxazosin-aliskiren similarity", "source_label": "doxazosin", "target_label": "aliskiren", "cosine_similarity": 0.4589253067970276 } }, { "source": "CID:44640183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "KU-C104486-salermide similarity", "source_label": "KU-C104486", "target_label": "salermide", "cosine_similarity": 0.4661518931388855 } }, { "source": "CID:6918236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5723", "properties": { "id": "perzinfotel-zardaverine similarity", "source_label": "perzinfotel", "target_label": "zardaverine", "cosine_similarity": 0.3300360143184662 } }, { "source": "CID:5910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "pilocarpine-meloxicam similarity", "source_label": "pilocarpine", "target_label": "meloxicam", "cosine_similarity": 0.3588580191135406 } }, { "source": "CID:9904854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "R-112-erlotinib similarity", "source_label": "R-112", "target_label": "erlotinib", "cosine_similarity": 0.4644060134887695 } }, { "source": "CID:5024764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "CGP-7930-doramapimod similarity", "source_label": "CGP-7930", "target_label": "doramapimod", "cosine_similarity": 0.2692537605762481 } }, { "source": "CID:6603827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "N20C-benzbromarone similarity", "source_label": "N20C", "target_label": "benzbromarone", "cosine_similarity": 0.1999855637550354 } }, { "source": "CID:6421522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "proxyfan-SA-103013 similarity", "source_label": "proxyfan", "target_label": "SA-103013", "cosine_similarity": 0.2123126536607742 } }, { "source": "CID:93504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "levcromakalim-tecastemizole similarity", "source_label": "levcromakalim", "target_label": "tecastemizole", "cosine_similarity": 0.2957829236984253 } }, { "source": "CID:5702076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3394", "properties": { "id": "isoxsuprine-flurbiprofen similarity", "source_label": "isoxsuprine", "target_label": "flurbiprofen", "cosine_similarity": 0.2788717746734619 } }, { "source": "CID:3305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:180559", "properties": { "id": "etidronic-acid-esatenolol similarity", "source_label": "etidronic-acid", "target_label": "esatenolol", "cosine_similarity": 0.1949864327907562 } }, { "source": "CID:54658651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "SA-1456170-DAC-003 similarity", "source_label": "SA-1456170", "target_label": "DAC-003", "cosine_similarity": 0.3375217616558075 } }, { "source": "CID:213046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362119", "properties": { "id": "lurasidone-lisinopril similarity", "source_label": "lurasidone", "target_label": "lisinopril", "cosine_similarity": 0.4050009548664093 } }, { "source": "CID:230710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6917960", "properties": { "id": "ML-204-KBG similarity", "source_label": "ML-204", "target_label": "KBG", "cosine_similarity": 0.2931848168373108 } }, { "source": "CID:2378095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "decafluorobutane-broxyquinoline similarity", "source_label": "decafluorobutane", "target_label": "broxyquinoline", "cosine_similarity": 0.2298411279916763 } }, { "source": "CID:444036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "fluticasone-propionate-beclomethasone-dipropionate similarity", "source_label": "fluticasone-propionate", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.6371312141418457 } }, { "source": "CID:44623946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "N-6022-macitentan similarity", "source_label": "N-6022", "target_label": "macitentan", "cosine_similarity": 0.4774004518985748 } }, { "source": "CID:3033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "diclofenac-thiazolopyrimidine similarity", "source_label": "diclofenac", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3752545714378357 } }, { "source": "CID:5392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707445", "properties": { "id": "temefos-nicardipine similarity", "source_label": "temefos", "target_label": "nicardipine", "cosine_similarity": 0.2022754997014999 } }, { "source": "CID:4628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10660", "properties": { "id": "oxolinic-acid-dimenhydrinate similarity", "source_label": "oxolinic-acid", "target_label": "dimenhydrinate", "cosine_similarity": 0.2464892119169235 } }, { "source": "CID:6006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40469854", "properties": { "id": "leucovorin-flumethasone similarity", "source_label": "leucovorin", "target_label": "flumethasone", "cosine_similarity": 0.308039128780365 } }, { "source": "CID:54659352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489343", "properties": { "id": "SA-1455884-SA-425929 similarity", "source_label": "SA-1455884", "target_label": "SA-425929", "cosine_similarity": 0.2641908526420593 } }, { "source": "CID:2691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "CGS-21680-EMF-csc-9 similarity", "source_label": "CGS-21680", "target_label": "EMF-csc-9", "cosine_similarity": 0.4905271828174591 } }, { "source": "CID:5511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2520", "properties": { "id": "tolperisone-verapamil similarity", "source_label": "tolperisone", "target_label": "verapamil", "cosine_similarity": 0.2880744338035583 } }, { "source": "CID:73707398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:161591", "properties": { "id": "MD-040-chaetocin similarity", "source_label": "MD-040", "target_label": "chaetocin", "cosine_similarity": 0.4320756196975708 } }, { "source": "CID:124007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:861", "properties": { "id": "CP-93129-rathyronine similarity", "source_label": "CP-93129", "target_label": "rathyronine", "cosine_similarity": 0.2321976870298385 } }, { "source": "CID:4044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8433", "properties": { "id": "mefenamic-acid-dibenzoylmethane similarity", "source_label": "mefenamic-acid", "target_label": "dibenzoylmethane", "cosine_similarity": 0.2526133358478546 } }, { "source": "CID:4506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9330", "properties": { "id": "nitrazepam-benactyzine similarity", "source_label": "nitrazepam", "target_label": "benactyzine", "cosine_similarity": 0.1674838662147522 } }, { "source": "CID:3053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4521392", "properties": { "id": "pentetic-acid-SB-431542 similarity", "source_label": "pentetic-acid", "target_label": "SB-431542", "cosine_similarity": 0.1862947195768356 } }, { "source": "CID:2118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "alprazolam-vorinostat similarity", "source_label": "alprazolam", "target_label": "vorinostat", "cosine_similarity": 0.3678100109100342 } }, { "source": "CID:33572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "ritodrine-cefoperazone similarity", "source_label": "ritodrine", "target_label": "cefoperazone", "cosine_similarity": 0.3937520384788513 } }, { "source": "CID:49831257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446157", "properties": { "id": "filgotinib-rosuvastatin similarity", "source_label": "filgotinib", "target_label": "rosuvastatin", "cosine_similarity": 0.336039662361145 } }, { "source": "CID:70311789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "LGX-818-bromosporine similarity", "source_label": "LGX-818", "target_label": "bromosporine", "cosine_similarity": 0.5616920590400696 } }, { "source": "CID:3062316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "dasatinib-saracatinib similarity", "source_label": "dasatinib", "target_label": "saracatinib", "cosine_similarity": 0.6398875117301941 } }, { "source": "CID:5071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "rimantadine-lorcaserin similarity", "source_label": "rimantadine", "target_label": "lorcaserin", "cosine_similarity": 0.3672768771648407 } }, { "source": "CID:34359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "carbidopa-phenothiazine similarity", "source_label": "carbidopa", "target_label": "phenothiazine", "cosine_similarity": 0.2467250823974609 } }, { "source": "CID:3003141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "luliconazole-D-serine similarity", "source_label": "luliconazole", "target_label": "D-serine", "cosine_similarity": 0.4783366024494171 } }, { "source": "CID:5952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:94701", "properties": { "id": "deoxycorticosterone-acetate-diprotin-a similarity", "source_label": "deoxycorticosterone-acetate", "target_label": "diprotin-a", "cosine_similarity": 0.2341864109039306 } }, { "source": "CID:5153532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7791937", "properties": { "id": "BG-1021-BG-1022 similarity", "source_label": "BG-1021", "target_label": "BG-1022", "cosine_similarity": 0.286975234746933 } }, { "source": "CID:54666596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-1920453-SA-1921996 similarity", "source_label": "SA-1920453", "target_label": "SA-1921996", "cosine_similarity": 0.2901710271835327 } }, { "source": "CID:44492693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500706", "properties": { "id": "SA-84869-SA-97259 similarity", "source_label": "SA-84869", "target_label": "SA-97259", "cosine_similarity": 0.2633567154407501 } }, { "source": "CID:2762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "cinoxacin-bitopertin similarity", "source_label": "cinoxacin", "target_label": "bitopertin", "cosine_similarity": 0.5684858560562134 } }, { "source": "CID:44495084", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "SA-440772-hydroxyurea similarity", "source_label": "SA-440772", "target_label": "hydroxyurea", "cosine_similarity": 0.2744854390621185 } }, { "source": "CID:50905713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17755052", "properties": { "id": "IPI-145-GDC-0941 similarity", "source_label": "IPI-145", "target_label": "GDC-0941", "cosine_similarity": 0.4747046530246734 } }, { "source": "CID:16004692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "macitentan-tetrahydrouridine similarity", "source_label": "macitentan", "target_label": "tetrahydrouridine", "cosine_similarity": 0.8036000728607178 } }, { "source": "CID:11351021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "CYT-997-vinblastine similarity", "source_label": "CYT-997", "target_label": "vinblastine", "cosine_similarity": 0.7581334710121155 } }, { "source": "CID:22416251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288209", "properties": { "id": "KU-C103882-fenretinide similarity", "source_label": "KU-C103882", "target_label": "fenretinide", "cosine_similarity": 0.2521191537380218 } }, { "source": "CID:23947601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "cinobufagin-proscillaridin similarity", "source_label": "cinobufagin", "target_label": "proscillaridin", "cosine_similarity": 0.8839055299758911 } }, { "source": "CID:4992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "mepyramine-lorcaserin similarity", "source_label": "mepyramine", "target_label": "lorcaserin", "cosine_similarity": 0.3852617144584656 } }, { "source": "CID:3356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9830191", "properties": { "id": "flecainide-tipranavir similarity", "source_label": "flecainide", "target_label": "tipranavir", "cosine_similarity": 0.4397441744804382 } }, { "source": "CID:2083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "salbutamol-lorazepam similarity", "source_label": "salbutamol", "target_label": "lorazepam", "cosine_similarity": 0.2613036334514618 } }, { "source": "CID:4158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610281", "properties": { "id": "methylphenidate-lithium-chloride similarity", "source_label": "methylphenidate", "target_label": "lithium-chloride", "cosine_similarity": 0.4301095902919769 } }, { "source": "CID:16133851", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "triptorelin-labetalol similarity", "source_label": "triptorelin", "target_label": "labetalol", "cosine_similarity": 0.2941558063030243 } }, { "source": "CID:60188101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "RS-I-002-6-MD-II-008-P similarity", "source_label": "RS-I-002-6", "target_label": "MD-II-008-P", "cosine_similarity": 0.7989373803138733 } }, { "source": "CID:126769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "SB-200646-YK-4279 similarity", "source_label": "SB-200646", "target_label": "YK-4279", "cosine_similarity": 0.2557032406330108 } }, { "source": "CID:6708512", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "totaralolal-pemetrexed similarity", "source_label": "totaralolal", "target_label": "pemetrexed", "cosine_similarity": 0.2413961738348007 } }, { "source": "CID:208908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "lapatinib-vandetanib similarity", "source_label": "lapatinib", "target_label": "vandetanib", "cosine_similarity": 0.5709817409515381 } }, { "source": "CID:5311452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126280", "properties": { "id": "SR-59230A-indatraline similarity", "source_label": "SR-59230A", "target_label": "indatraline", "cosine_similarity": 0.2982107698917389 } }, { "source": "CID:5282071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "sirolimus-AZD-8055 similarity", "source_label": "sirolimus", "target_label": "AZD-8055", "cosine_similarity": 0.7715644240379333 } }, { "source": "CID:449381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914273", "properties": { "id": "oseltamivir-carboxylate-dantrolene similarity", "source_label": "oseltamivir-carboxylate", "target_label": "dantrolene", "cosine_similarity": 0.3831720948219299 } }, { "source": "CID:3838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "KN-62-obatoclax similarity", "source_label": "KN-62", "target_label": "obatoclax", "cosine_similarity": 0.5117011070251465 } }, { "source": "CID:1359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "TRIM-A-61603 similarity", "source_label": "TRIM", "target_label": "A-61603", "cosine_similarity": 0.4821909964084625 } }, { "source": "CID:10437018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441029", "properties": { "id": "BMS-599626-fosfomycin similarity", "source_label": "BMS-599626", "target_label": "fosfomycin", "cosine_similarity": 0.276518851518631 } }, { "source": "CID:54660194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-1458902-SA-1919248 similarity", "source_label": "SA-1458902", "target_label": "SA-1919248", "cosine_similarity": 0.2900865077972412 } }, { "source": "CID:5280343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "quercetin-tetrahydrouridine similarity", "source_label": "quercetin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6344830989837646 } }, { "source": "CID:9832447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "efatutazone-troglitazone similarity", "source_label": "efatutazone", "target_label": "troglitazone", "cosine_similarity": 0.3717337846755981 } }, { "source": "CID:46742339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "VU-0418933-1-VU-0418934-2 similarity", "source_label": "VU-0418933-1", "target_label": "VU-0418934-2", "cosine_similarity": 0.799372136592865 } }, { "source": "CID:9886498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "HU-211-I-070759 similarity", "source_label": "HU-211", "target_label": "I-070759", "cosine_similarity": 0.3343325555324554 } }, { "source": "CID:6307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "quinethazone-thiazolopyrimidine similarity", "source_label": "quinethazone", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2770053148269653 } }, { "source": "CID:637858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "piperlongumine-NSC-632839 similarity", "source_label": "piperlongumine", "target_label": "NSC-632839", "cosine_similarity": 0.7649840712547302 } }, { "source": "CID:4045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "mefexamide-ASN-05257430 similarity", "source_label": "mefexamide", "target_label": "ASN-05257430", "cosine_similarity": 0.285253494977951 } }, { "source": "CID:44616599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-427636-SA-103013 similarity", "source_label": "SA-427636", "target_label": "SA-103013", "cosine_similarity": 0.2746093273162842 } }, { "source": "CID:66377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457928", "properties": { "id": "edoxudine-bevirimat-dimeglumine similarity", "source_label": "edoxudine", "target_label": "bevirimat-dimeglumine", "cosine_similarity": 0.2506167292594909 } }, { "source": "CID:4832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "pipenzolate-drofenine similarity", "source_label": "pipenzolate", "target_label": "drofenine", "cosine_similarity": 0.5565706491470337 } }, { "source": "CID:25105713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "VU-0155069-BIBU-1361 similarity", "source_label": "VU-0155069", "target_label": "BIBU-1361", "cosine_similarity": 0.5523287057876587 } }, { "source": "CID:44828477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3473417", "properties": { "id": "KUC104542N-VU-0447126-2 similarity", "source_label": "KUC104542N", "target_label": "VU-0447126-2", "cosine_similarity": 0.272414356470108 } }, { "source": "CID:6603901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:260972", "properties": { "id": "L-2167-EMF-sumo1-8 similarity", "source_label": "L-2167", "target_label": "EMF-sumo1-8", "cosine_similarity": 0.2889578938484192 } }, { "source": "CID:54654433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "SA-1463839-cefoperazone similarity", "source_label": "SA-1463839", "target_label": "cefoperazone", "cosine_similarity": 0.2124456167221069 } }, { "source": "CID:73707463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5641", "properties": { "id": "lymecycline-urethane similarity", "source_label": "lymecycline", "target_label": "urethane", "cosine_similarity": 0.2284172177314758 } }, { "source": "CID:150311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "ezetimibe-cyclosporin-a similarity", "source_label": "ezetimibe", "target_label": "cyclosporin-a", "cosine_similarity": 0.4717942476272583 } }, { "source": "CID:444031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23727689", "properties": { "id": "darifenacin-almorexant similarity", "source_label": "darifenacin", "target_label": "almorexant", "cosine_similarity": 0.2459919601678848 } }, { "source": "CID:5287620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "brefeldin-a-cyclosporin-a similarity", "source_label": "brefeldin-a", "target_label": "cyclosporin-a", "cosine_similarity": 0.5462473630905151 } }, { "source": "CID:4781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:336423", "properties": { "id": "phenylbutazone-TIC-10 similarity", "source_label": "phenylbutazone", "target_label": "TIC-10", "cosine_similarity": 0.3644820749759674 } }, { "source": "CID:24989044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71226662", "properties": { "id": "copanlisib-acalabrutinib similarity", "source_label": "copanlisib", "target_label": "acalabrutinib", "cosine_similarity": 0.2795240581035614 } }, { "source": "CID:2723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6780", "properties": { "id": "chloroxylenol-anthraquinone similarity", "source_label": "chloroxylenol", "target_label": "anthraquinone", "cosine_similarity": 0.6549228429794312 } }, { "source": "CID:54657712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190226", "properties": { "id": "SA-1457945-SA-1925996 similarity", "source_label": "SA-1457945", "target_label": "SA-1925996", "cosine_similarity": 0.2164000421762466 } }, { "source": "CID:24951314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "ISOX-vorinostat similarity", "source_label": "ISOX", "target_label": "vorinostat", "cosine_similarity": 0.875378429889679 } }, { "source": "CID:3655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "velnacrine-PJ-34 similarity", "source_label": "velnacrine", "target_label": "PJ-34", "cosine_similarity": 0.2120935469865799 } }, { "source": "CID:5360515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "naltrexone-DAC-009 similarity", "source_label": "naltrexone", "target_label": "DAC-009", "cosine_similarity": 0.3290228843688965 } }, { "source": "CID:5210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2689", "properties": { "id": "sibutramine-CGS-12066B similarity", "source_label": "sibutramine", "target_label": "CGS-12066B", "cosine_similarity": 0.3357485830783844 } }, { "source": "CID:44494477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-243913-SA-1919248 similarity", "source_label": "SA-243913", "target_label": "SA-1919248", "cosine_similarity": 0.2609698474407196 } }, { "source": "CID:9839842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "MAZ-51-parbendazole similarity", "source_label": "MAZ-51", "target_label": "parbendazole", "cosine_similarity": 0.3676999807357788 } }, { "source": "CID:6708600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "sarmentogenin-digitoxigenin similarity", "source_label": "sarmentogenin", "target_label": "digitoxigenin", "cosine_similarity": 0.7972292304039001 } }, { "source": "CID:2129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "AM-92016-ceritinib similarity", "source_label": "AM-92016", "target_label": "ceritinib", "cosine_similarity": 0.3060537278652191 } }, { "source": "CID:45281798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "VU-0365118-1-vinblastine similarity", "source_label": "VU-0365118-1", "target_label": "vinblastine", "cosine_similarity": 0.347503513097763 } }, { "source": "CID:445580", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "doconexent-NSC-3852 similarity", "source_label": "doconexent", "target_label": "NSC-3852", "cosine_similarity": 0.512101948261261 } }, { "source": "CID:4995951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "PD-102807-RS-17053 similarity", "source_label": "PD-102807", "target_label": "RS-17053", "cosine_similarity": 0.5457643866539001 } }, { "source": "CID:686211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67243342", "properties": { "id": "KU-C104126N-TUL-XIX029 similarity", "source_label": "KU-C104126N", "target_label": "TUL-XIX029", "cosine_similarity": 0.2528830468654632 } }, { "source": "CID:54654433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "SA-1463839-SA-427228 similarity", "source_label": "SA-1463839", "target_label": "SA-427228", "cosine_similarity": 0.2203408926725387 } }, { "source": "CID:54654435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10313", "properties": { "id": "SA-1472702-benzohydroxamic-acid similarity", "source_label": "SA-1472702", "target_label": "benzohydroxamic-acid", "cosine_similarity": 0.3503404855728149 } }, { "source": "CID:65492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "iopamidol-pepstatin similarity", "source_label": "iopamidol", "target_label": "pepstatin", "cosine_similarity": 0.3030657470226288 } }, { "source": "CID:49843158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "SD-6-035-A10-PTB1 similarity", "source_label": "SD-6-035-A10", "target_label": "PTB1", "cosine_similarity": 0.2810951769351959 } }, { "source": "CID:7638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2335", "properties": { "id": "monobenzone-benzethonium similarity", "source_label": "monobenzone", "target_label": "benzethonium", "cosine_similarity": 0.2914499342441559 } }, { "source": "CID:132252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "CGP-52432-MW-MITF22 similarity", "source_label": "CGP-52432", "target_label": "MW-MITF22", "cosine_similarity": 0.3432072103023529 } }, { "source": "CID:53389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "rimcazole-sertraline similarity", "source_label": "rimcazole", "target_label": "sertraline", "cosine_similarity": 0.5741982460021973 } }, { "source": "CID:2674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "cercosporin-I-606051 similarity", "source_label": "cercosporin", "target_label": "I-606051", "cosine_similarity": 0.6768667697906494 } }, { "source": "CID:73707409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "vinorelbine-dolastatin-10 similarity", "source_label": "vinorelbine", "target_label": "dolastatin-10", "cosine_similarity": 0.6674186587333679 } }, { "source": "CID:11317348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20345", "properties": { "id": "KI-8751-kinetin-riboside similarity", "source_label": "KI-8751", "target_label": "kinetin-riboside", "cosine_similarity": 0.3133660852909088 } }, { "source": "CID:259329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "estramustine-phosphate-neostigmine similarity", "source_label": "estramustine-phosphate", "target_label": "neostigmine", "cosine_similarity": 0.4896347820758819 } }, { "source": "CID:54654433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5808", "properties": { "id": "SA-1463839-levisoprenaline similarity", "source_label": "SA-1463839", "target_label": "levisoprenaline", "cosine_similarity": 0.2137757539749145 } }, { "source": "CID:338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "salicylic-acid-JW-55 similarity", "source_label": "salicylic-acid", "target_label": "JW-55", "cosine_similarity": 0.2296803593635559 } }, { "source": "CID:4289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "Ro-16-6941-phenothiazine similarity", "source_label": "Ro-16-6941", "target_label": "phenothiazine", "cosine_similarity": 0.2998771965503692 } }, { "source": "CID:23817954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159269", "properties": { "id": "josamycin-telbivudine similarity", "source_label": "josamycin", "target_label": "telbivudine", "cosine_similarity": 0.3014207482337951 } }, { "source": "CID:11615393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6451164", "properties": { "id": "telmesteine-rilpivirine similarity", "source_label": "telmesteine", "target_label": "rilpivirine", "cosine_similarity": 0.3524821698665619 } }, { "source": "CID:564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "aminocaproic-acid-mirtazapine similarity", "source_label": "aminocaproic-acid", "target_label": "mirtazapine", "cosine_similarity": 0.4304930567741394 } }, { "source": "CID:44607530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "WZ-4002-gefitinib similarity", "source_label": "WZ-4002", "target_label": "gefitinib", "cosine_similarity": 0.4722069799900055 } }, { "source": "CID:16218996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "beclometasone-SA-85268 similarity", "source_label": "beclometasone", "target_label": "SA-85268", "cosine_similarity": 0.3120841383934021 } }, { "source": "CID:3854666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "SB-225002-D-64131 similarity", "source_label": "SB-225002", "target_label": "D-64131", "cosine_similarity": 0.731802225112915 } }, { "source": "CID:442972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "cyclopamine-CAM-9-027-3 similarity", "source_label": "cyclopamine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.2628979086875915 } }, { "source": "CID:23891056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "I-606051-EMF-sumo1-39 similarity", "source_label": "I-606051", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7330225706100464 } }, { "source": "CID:54660111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "SA-1459481-SA-90024 similarity", "source_label": "SA-1459481", "target_label": "SA-90024", "cosine_similarity": 0.2644972503185272 } }, { "source": "CID:2768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "dichlorodiamine-platinum-ITSA-1 similarity", "source_label": "dichlorodiamine-platinum", "target_label": "ITSA-1", "cosine_similarity": 0.2391489446163177 } }, { "source": "CID:54657716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "SA-1457472-marbofloxacin similarity", "source_label": "SA-1457472", "target_label": "marbofloxacin", "cosine_similarity": 0.2957258820533752 } }, { "source": "CID:574780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4688", "properties": { "id": "BD-1063-pargyline similarity", "source_label": "BD-1063", "target_label": "pargyline", "cosine_similarity": 0.2898198962211609 } }, { "source": "CID:9902311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "TGX-115-PP-110 similarity", "source_label": "TGX-115", "target_label": "PP-110", "cosine_similarity": 0.6614441871643066 } }, { "source": "CID:3278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918314", "properties": { "id": "etacrynic-acid-vilazodone similarity", "source_label": "etacrynic-acid", "target_label": "vilazodone", "cosine_similarity": 0.2523922026157379 } }, { "source": "CID:5282459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "cinepazide-dorzolamide similarity", "source_label": "cinepazide", "target_label": "dorzolamide", "cosine_similarity": 0.352464497089386 } }, { "source": "CID:2817908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23789069", "properties": { "id": "JFD02227-nitrarine similarity", "source_label": "JFD02227", "target_label": "nitrarine", "cosine_similarity": 0.3045721352100372 } }, { "source": "CID:73707409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9949641", "properties": { "id": "vinorelbine-NPI-2358 similarity", "source_label": "vinorelbine", "target_label": "NPI-2358", "cosine_similarity": 0.662017285823822 } }, { "source": "CID:5014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5593", "properties": { "id": "QX-222-tropicamide similarity", "source_label": "QX-222", "target_label": "tropicamide", "cosine_similarity": 0.2291426360607147 } }, { "source": "CID:49806720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "alectinib-gatifloxacin similarity", "source_label": "alectinib", "target_label": "gatifloxacin", "cosine_similarity": 0.2919818162918091 } }, { "source": "CID:6032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "kanamycin-parecoxib similarity", "source_label": "kanamycin", "target_label": "parecoxib", "cosine_similarity": 0.2323692291975021 } }, { "source": "CID:16220172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "ivacaftor-anecortave-acetate similarity", "source_label": "ivacaftor", "target_label": "anecortave-acetate", "cosine_similarity": 0.4835173189640045 } }, { "source": "CID:2541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23727689", "properties": { "id": "candesartan-almorexant similarity", "source_label": "candesartan", "target_label": "almorexant", "cosine_similarity": 0.3218676149845123 } }, { "source": "CID:57363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "finasteride-diazoxide similarity", "source_label": "finasteride", "target_label": "diazoxide", "cosine_similarity": 0.5330603122711182 } }, { "source": "CID:44510971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "brucine-Y-27632 similarity", "source_label": "brucine", "target_label": "Y-27632", "cosine_similarity": 0.3160161077976227 } }, { "source": "CID:168182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "valyltryptophan-GW-9508 similarity", "source_label": "valyltryptophan", "target_label": "GW-9508", "cosine_similarity": 0.3309238255023956 } }, { "source": "CID:1403142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "biochanin-a-zebularine similarity", "source_label": "biochanin-a", "target_label": "zebularine", "cosine_similarity": 0.3453088402748108 } }, { "source": "CID:5578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115193", "properties": { "id": "trimethoprim-isofloxythepin similarity", "source_label": "trimethoprim", "target_label": "isofloxythepin", "cosine_similarity": 0.2376511096954345 } }, { "source": "CID:57030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281078", "properties": { "id": "brequinar-mycophenolate-mofetil similarity", "source_label": "brequinar", "target_label": "mycophenolate-mofetil", "cosine_similarity": 0.5838600993156433 } }, { "source": "CID:50997747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318433", "properties": { "id": "DMH1-indirubin similarity", "source_label": "DMH1", "target_label": "indirubin", "cosine_similarity": 0.2307759523391723 } }, { "source": "CID:6466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "MD-920-CGS-20625 similarity", "source_label": "MD-920", "target_label": "CGS-20625", "cosine_similarity": 0.4165675342082977 } }, { "source": "CID:612556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "dihydroptaeroxylin-ipratropium similarity", "source_label": "dihydroptaeroxylin", "target_label": "ipratropium", "cosine_similarity": 0.2305180430412292 } }, { "source": "CID:56654642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609955", "properties": { "id": "RG-2833-resminostat similarity", "source_label": "RG-2833", "target_label": "resminostat", "cosine_similarity": 0.4231161475181579 } }, { "source": "CID:6604915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "OMDM-2-obatoclax similarity", "source_label": "OMDM-2", "target_label": "obatoclax", "cosine_similarity": 0.3338902294635772 } }, { "source": "CID:60937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "tiludronate-phenylbutazone similarity", "source_label": "tiludronate", "target_label": "phenylbutazone", "cosine_similarity": 0.3543600440025329 } }, { "source": "CID:25021165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "JZL-184-PRIMA1 similarity", "source_label": "JZL-184", "target_label": "PRIMA1", "cosine_similarity": 0.4807212650775909 } }, { "source": "CID:598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "mesna-tirasemtiv similarity", "source_label": "mesna", "target_label": "tirasemtiv", "cosine_similarity": 0.2750031650066376 } }, { "source": "CID:73707519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443944", "properties": { "id": "chlortetracycline-metrizamide similarity", "source_label": "chlortetracycline", "target_label": "metrizamide", "cosine_similarity": 0.2114017903804779 } }, { "source": "CID:4167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "metixene-dapivirine similarity", "source_label": "metixene", "target_label": "dapivirine", "cosine_similarity": 0.4040234386920929 } }, { "source": "CID:445713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44295709", "properties": { "id": "farnesylpyrophosphate-RTI-55 similarity", "source_label": "farnesylpyrophosphate", "target_label": "RTI-55", "cosine_similarity": 0.2250615507364273 } }, { "source": "CID:5281750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "seneciphylline-lorazepam similarity", "source_label": "seneciphylline", "target_label": "lorazepam", "cosine_similarity": 0.3292185664176941 } }, { "source": "CID:71354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "bindarit-aspirin similarity", "source_label": "bindarit", "target_label": "aspirin", "cosine_similarity": 0.3242737352848053 } }, { "source": "CID:3408722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328768", "properties": { "id": "nafadotride-TYRPHOSTIN-46 similarity", "source_label": "nafadotride", "target_label": "TYRPHOSTIN-46", "cosine_similarity": 0.2630496025085449 } }, { "source": "CID:1853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "phenanthridone-gemfibrozil similarity", "source_label": "phenanthridone", "target_label": "gemfibrozil", "cosine_similarity": 0.3412402272224426 } }, { "source": "CID:129010090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "ginkgolide-a-carglumic-acid similarity", "source_label": "ginkgolide-a", "target_label": "carglumic-acid", "cosine_similarity": 0.2255154103040695 } }, { "source": "CID:9553856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "furaltadone-SD-6-035-A8 similarity", "source_label": "furaltadone", "target_label": "SD-6-035-A8", "cosine_similarity": 0.2628051936626434 } }, { "source": "CID:770820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "O-3M3FBS-GW-1929 similarity", "source_label": "O-3M3FBS", "target_label": "GW-1929", "cosine_similarity": 0.3119651079177856 } }, { "source": "CID:16123056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "voxtalisib-temsirolimus similarity", "source_label": "voxtalisib", "target_label": "temsirolimus", "cosine_similarity": 0.6653565168380737 } }, { "source": "CID:176158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "SB-216763-enzastaurin similarity", "source_label": "SB-216763", "target_label": "enzastaurin", "cosine_similarity": 0.5449669361114502 } }, { "source": "CID:5318433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "indirubin-danegaptide similarity", "source_label": "indirubin", "target_label": "danegaptide", "cosine_similarity": 0.407520592212677 } }, { "source": "CID:5218788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SIB-1757-BMS-191011 similarity", "source_label": "SIB-1757", "target_label": "BMS-191011", "cosine_similarity": 0.2966459095478058 } }, { "source": "CID:44205240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "baricitinib-ruxolitinib similarity", "source_label": "baricitinib", "target_label": "ruxolitinib", "cosine_similarity": 0.3587381839752197 } }, { "source": "CID:60750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "gemcitabine-clofarabine similarity", "source_label": "gemcitabine", "target_label": "clofarabine", "cosine_similarity": 0.8264658451080322 } }, { "source": "CID:3168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123619", "properties": { "id": "droperidol-etoricoxib similarity", "source_label": "droperidol", "target_label": "etoricoxib", "cosine_similarity": 0.2752655446529388 } }, { "source": "CID:5353962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "ST-638-estropipate similarity", "source_label": "ST-638", "target_label": "estropipate", "cosine_similarity": 0.2335354834794998 } }, { "source": "CID:23649325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9892554", "properties": { "id": "AZD-1283-EMD-84 similarity", "source_label": "AZD-1283", "target_label": "EMD-84", "cosine_similarity": 0.2407146096229553 } }, { "source": "CID:1797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "5-nonyloxytryptamine-RS-17053 similarity", "source_label": "5-nonyloxytryptamine", "target_label": "RS-17053", "cosine_similarity": 0.692000150680542 } }, { "source": "CID:24785538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "BMS-754807-PI-828 similarity", "source_label": "BMS-754807", "target_label": "PI-828", "cosine_similarity": 0.6380308270454407 } }, { "source": "CID:54657730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657732", "properties": { "id": "SA-1458450-SA-1458985 similarity", "source_label": "SA-1458450", "target_label": "SA-1458985", "cosine_similarity": 0.3429918587207794 } }, { "source": "CID:52914946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "GSK-2126458-GDC-0980 similarity", "source_label": "GSK-2126458", "target_label": "GDC-0980", "cosine_similarity": 0.651846706867218 } }, { "source": "CID:10668211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132846", "properties": { "id": "R-96544-L-733060 similarity", "source_label": "R-96544", "target_label": "L-733060", "cosine_similarity": 0.4645010828971863 } }, { "source": "CID:72200818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:729859", "properties": { "id": "GSK-J1-CTB similarity", "source_label": "GSK-J1", "target_label": "CTB", "cosine_similarity": 0.4541248083114624 } }, { "source": "CID:44483325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "austricine-FTI-276 similarity", "source_label": "austricine", "target_label": "FTI-276", "cosine_similarity": 0.2984744608402252 } }, { "source": "CID:9829523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "midostaurin-temsirolimus similarity", "source_label": "midostaurin", "target_label": "temsirolimus", "cosine_similarity": 0.4451547861099243 } }, { "source": "CID:13927310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3467590", "properties": { "id": "KUC103423N-STO-609 similarity", "source_label": "KUC103423N", "target_label": "STO-609", "cosine_similarity": 0.2580779790878296 } }, { "source": "CID:16678941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "VX-809-lacosamide similarity", "source_label": "VX-809", "target_label": "lacosamide", "cosine_similarity": 0.392595887184143 } }, { "source": "CID:6047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44828477", "properties": { "id": "levodopa-KUC104542N similarity", "source_label": "levodopa", "target_label": "KUC104542N", "cosine_similarity": 0.1924318373203277 } }, { "source": "CID:72967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "isonicotinohydroxamic-acid-TUL-XX025TFA similarity", "source_label": "isonicotinohydroxamic-acid", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3190616071224212 } }, { "source": "CID:73707400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-1460136-SA-434027 similarity", "source_label": "SA-1460136", "target_label": "SA-434027", "cosine_similarity": 0.2332037538290023 } }, { "source": "CID:1054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707514", "properties": { "id": "pyridoxine-atractyloside similarity", "source_label": "pyridoxine", "target_label": "atractyloside", "cosine_similarity": 0.254089206457138 } }, { "source": "CID:3698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "amrinone-riociguat similarity", "source_label": "amrinone", "target_label": "riociguat", "cosine_similarity": 0.392755389213562 } }, { "source": "CID:45115620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12385463", "properties": { "id": "VU-0413807-2-KU-C103670 similarity", "source_label": "VU-0413807-2", "target_label": "KU-C103670", "cosine_similarity": 0.3082745373249054 } }, { "source": "CID:443155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755405", "properties": { "id": "cinchonidine-ST-056792 similarity", "source_label": "cinchonidine", "target_label": "ST-056792", "cosine_similarity": 0.1904304176568985 } }, { "source": "CID:446284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "icosapent-SA-427543 similarity", "source_label": "icosapent", "target_label": "SA-427543", "cosine_similarity": 0.2152227163314819 } }, { "source": "CID:73707514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5032", "properties": { "id": "atractyloside-racephedrine similarity", "source_label": "atractyloside", "target_label": "racephedrine", "cosine_similarity": 0.2160747647285461 } }, { "source": "CID:6708539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:334704", "properties": { "id": "rotenonic-acid-marmesin similarity", "source_label": "rotenonic-acid", "target_label": "marmesin", "cosine_similarity": 0.2123865783214569 } }, { "source": "CID:40469854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707473", "properties": { "id": "flumethasone-ribostamycin similarity", "source_label": "flumethasone", "target_label": "ribostamycin", "cosine_similarity": 0.3030602037906647 } }, { "source": "CID:5328748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "AG-370-guanabenz similarity", "source_label": "AG-370", "target_label": "guanabenz", "cosine_similarity": 0.2773483693599701 } }, { "source": "CID:69216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10429242", "properties": { "id": "5-methylhydantoin-CAY-10415 similarity", "source_label": "5-methylhydantoin", "target_label": "CAY-10415", "cosine_similarity": 0.2107385545969009 } }, { "source": "CID:4139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12387471", "properties": { "id": "methylene-blue-KUC111774N similarity", "source_label": "methylene-blue", "target_label": "KUC111774N", "cosine_similarity": 0.3753759264945984 } }, { "source": "CID:49867926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707378", "properties": { "id": "SAR-245409-triacsin-c similarity", "source_label": "SAR-245409", "target_label": "triacsin-c", "cosine_similarity": 0.3063164353370666 } }, { "source": "CID:60751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3342298", "properties": { "id": "temoporfin-CTS-1027 similarity", "source_label": "temoporfin", "target_label": "CTS-1027", "cosine_similarity": 0.4368669986724853 } }, { "source": "CID:46172903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "VU-0418000-1-tandutinib similarity", "source_label": "VU-0418000-1", "target_label": "tandutinib", "cosine_similarity": 0.3179728090763092 } }, { "source": "CID:2477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "buspirone-naftifine similarity", "source_label": "buspirone", "target_label": "naftifine", "cosine_similarity": 0.2790454924106598 } }, { "source": "CID:6307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "quinethazone-TAK-715 similarity", "source_label": "quinethazone", "target_label": "TAK-715", "cosine_similarity": 0.2738302946090698 } }, { "source": "CID:16219399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "glycocholic-acid-valproic-acid similarity", "source_label": "glycocholic-acid", "target_label": "valproic-acid", "cosine_similarity": 0.2880171239376068 } }, { "source": "CID:67278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "phenoxazine-FTI-276 similarity", "source_label": "phenoxazine", "target_label": "FTI-276", "cosine_similarity": 0.4659179747104645 } }, { "source": "CID:444031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121928", "properties": { "id": "darifenacin-amiprilose similarity", "source_label": "darifenacin", "target_label": "amiprilose", "cosine_similarity": 0.3344487249851227 } }, { "source": "CID:60186824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498557", "properties": { "id": "SA-1938820-SA-418993 similarity", "source_label": "SA-1938820", "target_label": "SA-418993", "cosine_similarity": 0.4020450115203857 } }, { "source": "CID:4216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "ML-7-raloxifene similarity", "source_label": "ML-7", "target_label": "raloxifene", "cosine_similarity": 0.3288370370864868 } }, { "source": "CID:3741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4410", "properties": { "id": "ioversol-nadifloxacin similarity", "source_label": "ioversol", "target_label": "nadifloxacin", "cosine_similarity": 0.2179609388113021 } }, { "source": "CID:9690109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "armodafinil-lersivirine similarity", "source_label": "armodafinil", "target_label": "lersivirine", "cosine_similarity": 0.380271166563034 } }, { "source": "CID:176870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "erlotinib-ponatinib similarity", "source_label": "erlotinib", "target_label": "ponatinib", "cosine_similarity": 0.7008730173110962 } }, { "source": "CID:2674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483339", "properties": { "id": "cercosporin-BVT-948 similarity", "source_label": "cercosporin", "target_label": "BVT-948", "cosine_similarity": 0.6692229509353638 } }, { "source": "CID:6918509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39836", "properties": { "id": "BIBN-4096-L-NAME similarity", "source_label": "BIBN-4096", "target_label": "L-NAME", "cosine_similarity": 0.2514146864414215 } }, { "source": "CID:5281565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "kawain-GSK-429286A similarity", "source_label": "kawain", "target_label": "GSK-429286A", "cosine_similarity": 0.2743409872055053 } }, { "source": "CID:6610344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "forskolin-rolipram similarity", "source_label": "forskolin", "target_label": "rolipram", "cosine_similarity": 0.4242986142635345 } }, { "source": "CID:44593870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "KU-C103885-KU-C104140 similarity", "source_label": "KU-C103885", "target_label": "KU-C104140", "cosine_similarity": 0.3575416803359985 } }, { "source": "CID:4055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "menadione-ryuvidine similarity", "source_label": "menadione", "target_label": "ryuvidine", "cosine_similarity": 0.4561218321323395 } }, { "source": "CID:16758824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "N-benzylnaltrindole-salmeterol similarity", "source_label": "N-benzylnaltrindole", "target_label": "salmeterol", "cosine_similarity": 0.3085308670997619 } }, { "source": "CID:5564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "triclosan-PF-03084014 similarity", "source_label": "triclosan", "target_label": "PF-03084014", "cosine_similarity": 0.3993431627750397 } }, { "source": "CID:16220051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "tunicamycin-RAF-265 similarity", "source_label": "tunicamycin", "target_label": "RAF-265", "cosine_similarity": 0.6086510419845581 } }, { "source": "CID:176408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "SCH-58261-macitentan similarity", "source_label": "SCH-58261", "target_label": "macitentan", "cosine_similarity": 0.4377822577953338 } }, { "source": "CID:2333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "benzbromarone-linsidomine similarity", "source_label": "benzbromarone", "target_label": "linsidomine", "cosine_similarity": 0.5383448600769043 } }, { "source": "CID:8433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "dibenzoylmethane-zebularine similarity", "source_label": "dibenzoylmethane", "target_label": "zebularine", "cosine_similarity": 0.299565702676773 } }, { "source": "CID:10302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2132", "properties": { "id": "salsolidine-ambroxol similarity", "source_label": "salsolidine", "target_label": "ambroxol", "cosine_similarity": 0.2275121659040451 } }, { "source": "CID:56928031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "KUC111109N-PSH-024 similarity", "source_label": "KUC111109N", "target_label": "PSH-024", "cosine_similarity": 0.1805316060781479 } }, { "source": "CID:51358113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "torin-2-torin-1 similarity", "source_label": "torin-2", "target_label": "torin-1", "cosine_similarity": 0.6335185170173645 } }, { "source": "CID:260972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "EMF-sumo1-8-PT-630 similarity", "source_label": "EMF-sumo1-8", "target_label": "PT-630", "cosine_similarity": 0.3485659062862396 } }, { "source": "CID:2366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "betahistine-glimepiride similarity", "source_label": "betahistine", "target_label": "glimepiride", "cosine_similarity": 0.2990295886993408 } }, { "source": "CID:65637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "zatebradine-SA-1459213 similarity", "source_label": "zatebradine", "target_label": "SA-1459213", "cosine_similarity": 0.2567416429519653 } }, { "source": "CID:44500998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "SA-245650-SA-1459167 similarity", "source_label": "SA-245650", "target_label": "SA-1459167", "cosine_similarity": 0.3151518404483795 } }, { "source": "CID:4449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "nefazodone-L-655240 similarity", "source_label": "nefazodone", "target_label": "L-655240", "cosine_similarity": 0.4853830933570862 } }, { "source": "CID:5281621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "gossypin-ST-059620 similarity", "source_label": "gossypin", "target_label": "ST-059620", "cosine_similarity": 0.6845257878303528 } }, { "source": "CID:44630539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "KU-C104256-evoxine similarity", "source_label": "KU-C104256", "target_label": "evoxine", "cosine_similarity": 0.251423180103302 } }, { "source": "CID:3744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9939609", "properties": { "id": "VP-20629-darapladib similarity", "source_label": "VP-20629", "target_label": "darapladib", "cosine_similarity": 0.2835564315319061 } }, { "source": "CID:132862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388962", "properties": { "id": "targinine-enalapril similarity", "source_label": "targinine", "target_label": "enalapril", "cosine_similarity": 0.3457209467887878 } }, { "source": "CID:6449767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "arvanil-NSC-3852 similarity", "source_label": "arvanil", "target_label": "NSC-3852", "cosine_similarity": 0.479698896408081 } }, { "source": "CID:5311510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "GNF-2-navitoclax similarity", "source_label": "GNF-2", "target_label": "navitoclax", "cosine_similarity": 0.4172265231609344 } }, { "source": "CID:447966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "LY-364947-TAK-715 similarity", "source_label": "LY-364947", "target_label": "TAK-715", "cosine_similarity": 0.377147227525711 } }, { "source": "CID:6450278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "GR-235-cerulenin similarity", "source_label": "GR-235", "target_label": "cerulenin", "cosine_similarity": 0.3381356000900268 } }, { "source": "CID:4284720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "BW-723C86-Y-134 similarity", "source_label": "BW-723C86", "target_label": "Y-134", "cosine_similarity": 0.2674129605293274 } }, { "source": "CID:235382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "SIB-1893-topotecan similarity", "source_label": "SIB-1893", "target_label": "topotecan", "cosine_similarity": 0.649643063545227 } }, { "source": "CID:73707606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "oxetane-NSC-663284 similarity", "source_label": "oxetane", "target_label": "NSC-663284", "cosine_similarity": 0.3368726968765259 } }, { "source": "CID:2816236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "HTS-12264SC-RJC-00245SC similarity", "source_label": "HTS-12264SC", "target_label": "RJC-00245SC", "cosine_similarity": 0.3844048380851745 } }, { "source": "CID:236702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "dexamethasone-halcinonide similarity", "source_label": "dexamethasone", "target_label": "halcinonide", "cosine_similarity": 0.6914405226707458 } }, { "source": "CID:11292680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "ARP-101-AG-592 similarity", "source_label": "ARP-101", "target_label": "AG-592", "cosine_similarity": 0.5128810405731201 } }, { "source": "CID:243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "benzoic-acid-FTI-276 similarity", "source_label": "benzoic-acid", "target_label": "FTI-276", "cosine_similarity": 0.3214229047298431 } }, { "source": "CID:44602374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4830", "properties": { "id": "KU-C104122-pipamperone similarity", "source_label": "KU-C104122", "target_label": "pipamperone", "cosine_similarity": 0.2729454636573791 } }, { "source": "CID:4369359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2519", "properties": { "id": "sitagliptin-caffeine similarity", "source_label": "sitagliptin", "target_label": "caffeine", "cosine_similarity": 0.353442370891571 } }, { "source": "CID:2415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "BML-190-cortisone-acetate similarity", "source_label": "BML-190", "target_label": "cortisone-acetate", "cosine_similarity": 0.2617546021938324 } }, { "source": "CID:568416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "droxinostat-NCH-51 similarity", "source_label": "droxinostat", "target_label": "NCH-51", "cosine_similarity": 0.6397140622138977 } }, { "source": "CID:151166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38081", "properties": { "id": "lumiracoxib-flunixin similarity", "source_label": "lumiracoxib", "target_label": "flunixin", "cosine_similarity": 0.3395380079746246 } }, { "source": "CID:984170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "CCT-018159-tanespimycin similarity", "source_label": "CCT-018159", "target_label": "tanespimycin", "cosine_similarity": 0.6377770304679871 } }, { "source": "CID:121930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26987", "properties": { "id": "LY-165163-clemastine similarity", "source_label": "LY-165163", "target_label": "clemastine", "cosine_similarity": 0.2881050705909729 } }, { "source": "CID:4830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "pipamperone-L-ergothioneine similarity", "source_label": "pipamperone", "target_label": "L-ergothioneine", "cosine_similarity": 0.4205156564712524 } }, { "source": "CID:4099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "metharbital-repaglinide similarity", "source_label": "metharbital", "target_label": "repaglinide", "cosine_similarity": 0.2630356252193451 } }, { "source": "CID:44493156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SA-83851-SA-1458689 similarity", "source_label": "SA-83851", "target_label": "SA-1458689", "cosine_similarity": 0.2444169223308563 } }, { "source": "CID:1550607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "auraptene-FTI-276 similarity", "source_label": "auraptene", "target_label": "FTI-276", "cosine_similarity": 0.2021708637475967 } }, { "source": "CID:4054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "memantine-DAC-012 similarity", "source_label": "memantine", "target_label": "DAC-012", "cosine_similarity": 0.2569595873355865 } }, { "source": "CID:2941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "D-609-CGS-21680 similarity", "source_label": "D-609", "target_label": "CGS-21680", "cosine_similarity": 0.3858409225940704 } }, { "source": "CID:1993104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "RAN-07-SMER-28 similarity", "source_label": "RAN-07", "target_label": "SMER-28", "cosine_similarity": 0.2976035475730896 } }, { "source": "CID:7427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "trehalose-dipyridamole similarity", "source_label": "trehalose", "target_label": "dipyridamole", "cosine_similarity": 0.5230194330215454 } }, { "source": "CID:44490269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-102787-SA-1459849 similarity", "source_label": "SA-102787", "target_label": "SA-1459849", "cosine_similarity": 0.3391329944133758 } }, { "source": "CID:44486995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190539", "properties": { "id": "SA-424764-SA-1939945 similarity", "source_label": "SA-424764", "target_label": "SA-1939945", "cosine_similarity": 0.257752925157547 } }, { "source": "CID:2155128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "IWP-2-PF-3845 similarity", "source_label": "IWP-2", "target_label": "PF-3845", "cosine_similarity": 0.3838328123092651 } }, { "source": "CID:44907115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "VU-0413238-1-loperamide similarity", "source_label": "VU-0413238-1", "target_label": "loperamide", "cosine_similarity": 0.266049176454544 } }, { "source": "CID:5436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "thiamylal-cinoxacin similarity", "source_label": "thiamylal", "target_label": "cinoxacin", "cosine_similarity": 0.3083818256855011 } }, { "source": "CID:6918454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "PD-184352-AZ-628 similarity", "source_label": "PD-184352", "target_label": "AZ-628", "cosine_similarity": 0.755893349647522 } }, { "source": "CID:4888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "pranoprofen-yohimbine similarity", "source_label": "pranoprofen", "target_label": "yohimbine", "cosine_similarity": 0.253074049949646 } }, { "source": "CID:3348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "fexofenadine-ketorolac similarity", "source_label": "fexofenadine", "target_label": "ketorolac", "cosine_similarity": 0.4325369000434875 } }, { "source": "CID:72093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "otilonium-FPL-62064 similarity", "source_label": "otilonium", "target_label": "FPL-62064", "cosine_similarity": 0.3579638302326202 } }, { "source": "CID:4507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "nitrendipine-ML-161 similarity", "source_label": "nitrendipine", "target_label": "ML-161", "cosine_similarity": 0.3425087630748749 } }, { "source": "CID:9818682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "UK-383367-acifran similarity", "source_label": "UK-383367", "target_label": "acifran", "cosine_similarity": 0.4213161170482635 } }, { "source": "CID:4723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329099", "properties": { "id": "pemoline-orantinib similarity", "source_label": "pemoline", "target_label": "orantinib", "cosine_similarity": 0.3106721341609955 } }, { "source": "CID:11656518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "RAF-265-erlotinib similarity", "source_label": "RAF-265", "target_label": "erlotinib", "cosine_similarity": 0.6650353670120239 } }, { "source": "CID:439285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28693", "properties": { "id": "choline-alfoscerate-metergoline similarity", "source_label": "choline-alfoscerate", "target_label": "metergoline", "cosine_similarity": 0.348383754491806 } }, { "source": "CID:33630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2585", "properties": { "id": "penfluridol-carvedilol similarity", "source_label": "penfluridol", "target_label": "carvedilol", "cosine_similarity": 0.3641476035118103 } }, { "source": "CID:135821878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "BJM-CSC-15-tyrphostin-A9 similarity", "source_label": "BJM-CSC-15", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5462858080863953 } }, { "source": "CID:44623844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "KU-C104228-KU-C104248 similarity", "source_label": "KU-C104228", "target_label": "KU-C104248", "cosine_similarity": 0.3231426775455475 } }, { "source": "CID:2566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "carbofuran-lenalidomide similarity", "source_label": "carbofuran", "target_label": "lenalidomide", "cosine_similarity": 0.2983211874961853 } }, { "source": "CID:19582717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707372", "properties": { "id": "CHEMBL-1222381-PP-30 similarity", "source_label": "CHEMBL-1222381", "target_label": "PP-30", "cosine_similarity": 0.5856915712356567 } }, { "source": "CID:73707528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:636403", "properties": { "id": "etodolac-carbenoxolone similarity", "source_label": "etodolac", "target_label": "carbenoxolone", "cosine_similarity": 0.3365350663661957 } }, { "source": "CID:3025986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "BMS-387032-CGP-60474 similarity", "source_label": "BMS-387032", "target_label": "CGP-60474", "cosine_similarity": 0.8271214962005615 } }, { "source": "CID:10022508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "MDM2-inhibitor-pifithrin-mu similarity", "source_label": "MDM2-inhibitor", "target_label": "pifithrin-mu", "cosine_similarity": 0.3546366691589355 } }, { "source": "CID:5719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "zaleplon-diazoxide similarity", "source_label": "zaleplon", "target_label": "diazoxide", "cosine_similarity": 0.3803271651268005 } }, { "source": "CID:5281222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "butein-K784-3188 similarity", "source_label": "butein", "target_label": "K784-3188", "cosine_similarity": 0.6559395790100098 } }, { "source": "CID:11213558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68870", "properties": { "id": "fostamatinib-tianeptine similarity", "source_label": "fostamatinib", "target_label": "tianeptine", "cosine_similarity": 0.5530396103858948 } }, { "source": "CID:34040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:87217390", "properties": { "id": "nicergoline-SU-014813 similarity", "source_label": "nicergoline", "target_label": "SU-014813", "cosine_similarity": 0.3961990177631378 } }, { "source": "CID:93504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449381", "properties": { "id": "levcromakalim-oseltamivir-carboxylate similarity", "source_label": "levcromakalim", "target_label": "oseltamivir-carboxylate", "cosine_similarity": 0.2634996771812439 } }, { "source": "CID:3080926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "2-BFI-amidopyrine similarity", "source_label": "2-BFI", "target_label": "amidopyrine", "cosine_similarity": 0.4545919001102447 } }, { "source": "CID:11548630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44182295", "properties": { "id": "Ro-4987655-refametinib similarity", "source_label": "Ro-4987655", "target_label": "refametinib", "cosine_similarity": 0.7959343791007996 } }, { "source": "CID:3373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82148", "properties": { "id": "flumazenil-agomelatine similarity", "source_label": "flumazenil", "target_label": "agomelatine", "cosine_similarity": 0.2485910803079605 } }, { "source": "CID:73707380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "fumonisin-b1-BMS-191011 similarity", "source_label": "fumonisin-b1", "target_label": "BMS-191011", "cosine_similarity": 0.5864623188972473 } }, { "source": "CID:15592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67135703", "properties": { "id": "1-methylisoquinoline-KIN001-260 similarity", "source_label": "1-methylisoquinoline", "target_label": "KIN001-260", "cosine_similarity": 0.205145850777626 } }, { "source": "CID:51683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "swainsonine-acetazolamide similarity", "source_label": "swainsonine", "target_label": "acetazolamide", "cosine_similarity": 0.4336801469326019 } }, { "source": "CID:2946601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "JW-55-UNC-1215 similarity", "source_label": "JW-55", "target_label": "UNC-1215", "cosine_similarity": 0.5835180282592773 } }, { "source": "CID:176407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "ZM-241385-MD-049 similarity", "source_label": "ZM-241385", "target_label": "MD-049", "cosine_similarity": 0.2639019191265106 } }, { "source": "CID:3385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "fluorouracil-topotecan similarity", "source_label": "fluorouracil", "target_label": "topotecan", "cosine_similarity": 0.3710448443889618 } }, { "source": "CID:3000540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1140587", "properties": { "id": "lincomycin-BAS-02859604 similarity", "source_label": "lincomycin", "target_label": "BAS-02859604", "cosine_similarity": 0.1608077436685562 } }, { "source": "CID:11689883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41781", "properties": { "id": "omecamtiv-mecarbil-torasemide similarity", "source_label": "omecamtiv-mecarbil", "target_label": "torasemide", "cosine_similarity": 0.4643749892711639 } }, { "source": "CID:1830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11338033", "properties": { "id": "5-iodotubercidin-AT-7519 similarity", "source_label": "5-iodotubercidin", "target_label": "AT-7519", "cosine_similarity": 0.6583371162414551 } }, { "source": "CID:872445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "oncrasin-1-RAF-265 similarity", "source_label": "oncrasin-1", "target_label": "RAF-265", "cosine_similarity": 0.5388295650482178 } }, { "source": "CID:5280881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "prostaglandin-b2-tenoxicam similarity", "source_label": "prostaglandin-b2", "target_label": "tenoxicam", "cosine_similarity": 0.2998425960540771 } }, { "source": "CID:6710659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "fludrocortisone-acetate-hydrocortisone-acetate similarity", "source_label": "fludrocortisone-acetate", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3582568168640136 } }, { "source": "CID:1088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3946", "properties": { "id": "sarcosine-lobenzarit similarity", "source_label": "sarcosine", "target_label": "lobenzarit", "cosine_similarity": 0.3939408659934997 } }, { "source": "CID:131682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82146", "properties": { "id": "safinamide-bexarotene similarity", "source_label": "safinamide", "target_label": "bexarotene", "cosine_similarity": 0.3856992423534393 } }, { "source": "CID:1043828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17748", "properties": { "id": "ST-4066738-quinoclamine similarity", "source_label": "ST-4066738", "target_label": "quinoclamine", "cosine_similarity": 0.1931941211223602 } }, { "source": "CID:73707604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707595", "properties": { "id": "avicin-g-avicin-d similarity", "source_label": "avicin-g", "target_label": "avicin-d", "cosine_similarity": 0.6166576147079468 } }, { "source": "CID:3100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4097", "properties": { "id": "diphenhydramine-methantheline similarity", "source_label": "diphenhydramine", "target_label": "methantheline", "cosine_similarity": 0.2034353166818618 } }, { "source": "CID:9830191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "tipranavir-flecainide similarity", "source_label": "tipranavir", "target_label": "flecainide", "cosine_similarity": 0.4397441744804382 } }, { "source": "CID:221493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25161177", "properties": { "id": "cholic-acid-MLN-2480 similarity", "source_label": "cholic-acid", "target_label": "MLN-2480", "cosine_similarity": 0.564582347869873 } }, { "source": "CID:2819320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107935", "properties": { "id": "KM-01366-deguelin similarity", "source_label": "KM-01366", "target_label": "deguelin", "cosine_similarity": 0.2335382103919983 } }, { "source": "CID:2155128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "IWP-2-Gly-Gly-PALO similarity", "source_label": "IWP-2", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4388430714607239 } }, { "source": "CID:3932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "linopirdine-tibolone similarity", "source_label": "linopirdine", "target_label": "tibolone", "cosine_similarity": 0.3794566988945007 } }, { "source": "CID:6604931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "aminopurvalanol-a-PF-562271 similarity", "source_label": "aminopurvalanol-a", "target_label": "PF-562271", "cosine_similarity": 0.4868897795677185 } }, { "source": "CID:4991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010004", "properties": { "id": "mestinon-tebipenem similarity", "source_label": "mestinon", "target_label": "tebipenem", "cosine_similarity": 0.3494707345962524 } }, { "source": "CID:4099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "metharbital-marbofloxacin similarity", "source_label": "metharbital", "target_label": "marbofloxacin", "cosine_similarity": 0.2544224560260772 } }, { "source": "CID:5920", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "liothyronine-camicinal similarity", "source_label": "liothyronine", "target_label": "camicinal", "cosine_similarity": 0.209035187959671 } }, { "source": "CID:4891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "praziquantel-riluzole similarity", "source_label": "praziquantel", "target_label": "riluzole", "cosine_similarity": 0.3927941024303436 } }, { "source": "CID:2771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "citalopram-marbofloxacin similarity", "source_label": "citalopram", "target_label": "marbofloxacin", "cosine_similarity": 0.4252093136310577 } }, { "source": "CID:57364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "carmoxirole-MW-MITF22 similarity", "source_label": "carmoxirole", "target_label": "MW-MITF22", "cosine_similarity": 0.2947648763656616 } }, { "source": "CID:2419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "BMY-7378-DAC-013 similarity", "source_label": "BMY-7378", "target_label": "DAC-013", "cosine_similarity": 0.3459894955158233 } }, { "source": "CID:126402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "PRE-084-ML-161 similarity", "source_label": "PRE-084", "target_label": "ML-161", "cosine_similarity": 0.2442292422056198 } }, { "source": "CID:3825829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009963", "properties": { "id": "mdivi-1-cabazitaxel similarity", "source_label": "mdivi-1", "target_label": "cabazitaxel", "cosine_similarity": 0.3338969945907593 } }, { "source": "CID:5014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "QX-222-fasudil similarity", "source_label": "QX-222", "target_label": "fasudil", "cosine_similarity": 0.2505201995372772 } }, { "source": "CID:133538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:681615", "properties": { "id": "SKF-83959-KDM-096 similarity", "source_label": "SKF-83959", "target_label": "KDM-096", "cosine_similarity": 0.2345893085002899 } }, { "source": "CID:1780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702124", "properties": { "id": "eicosatetraynoic-acid-tranylcypromine similarity", "source_label": "eicosatetraynoic-acid", "target_label": "tranylcypromine", "cosine_similarity": 0.2942675352096557 } }, { "source": "CID:44483335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15541", "properties": { "id": "GW-311616-spectinomycin similarity", "source_label": "GW-311616", "target_label": "spectinomycin", "cosine_similarity": 0.2575334310531616 } }, { "source": "CID:3038495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6732844", "properties": { "id": "BP-897-ST-023431 similarity", "source_label": "BP-897", "target_label": "ST-023431", "cosine_similarity": 0.2371995896100998 } }, { "source": "CID:64981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "arctigenin-ZM-336372 similarity", "source_label": "arctigenin", "target_label": "ZM-336372", "cosine_similarity": 0.3293341696262359 } }, { "source": "CID:9592990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "BAS-00535043-STA-5326 similarity", "source_label": "BAS-00535043", "target_label": "STA-5326", "cosine_similarity": 0.5873773097991943 } }, { "source": "CID:9051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1126109", "properties": { "id": "dydrogesterone-JX-401 similarity", "source_label": "dydrogesterone", "target_label": "JX-401", "cosine_similarity": 0.2794401049613952 } }, { "source": "CID:10077147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16038120", "properties": { "id": "BX-795-NVP-TAE684 similarity", "source_label": "BX-795", "target_label": "NVP-TAE684", "cosine_similarity": 0.4283599257469177 } }, { "source": "CID:3973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "LY-294002-taselisib similarity", "source_label": "LY-294002", "target_label": "taselisib", "cosine_similarity": 0.7528666257858276 } }, { "source": "CID:1830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56839178", "properties": { "id": "5-iodotubercidin-TP-0903 similarity", "source_label": "5-iodotubercidin", "target_label": "TP-0903", "cosine_similarity": 0.6634226441383362 } }, { "source": "CID:4160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6575", "properties": { "id": "methyl-testosterone-trichloroethylene similarity", "source_label": "methyl-testosterone", "target_label": "trichloroethylene", "cosine_similarity": 0.2892620265483856 } }, { "source": "CID:9888590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "HMN-214-parbendazole similarity", "source_label": "HMN-214", "target_label": "parbendazole", "cosine_similarity": 0.8044690489768982 } }, { "source": "CID:2182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "anagrelide-navitoclax similarity", "source_label": "anagrelide", "target_label": "navitoclax", "cosine_similarity": 0.4335359930992126 } }, { "source": "CID:5952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "deoxycorticosterone-acetate-myricetin similarity", "source_label": "deoxycorticosterone-acetate", "target_label": "myricetin", "cosine_similarity": 0.2244089990854263 } }, { "source": "CID:46943432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71271629", "properties": { "id": "I-BET-762-PFI-1 similarity", "source_label": "I-BET-762", "target_label": "PFI-1", "cosine_similarity": 0.8881145715713501 } }, { "source": "CID:44492098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "SA-427543-MW-MITF28 similarity", "source_label": "SA-427543", "target_label": "MW-MITF28", "cosine_similarity": 0.3785272538661957 } }, { "source": "CID:129010004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "tebipenem-bupropion similarity", "source_label": "tebipenem", "target_label": "bupropion", "cosine_similarity": 0.4023376405239105 } }, { "source": "CID:5227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2780", "properties": { "id": "SKF-91488-clebopride similarity", "source_label": "SKF-91488", "target_label": "clebopride", "cosine_similarity": 0.2485098540782928 } }, { "source": "CID:2750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "ciglitazone-GNF-2 similarity", "source_label": "ciglitazone", "target_label": "GNF-2", "cosine_similarity": 0.3003100454807281 } }, { "source": "CID:3853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23919667", "properties": { "id": "L-745870-DY-44 similarity", "source_label": "L-745870", "target_label": "DY-44", "cosine_similarity": 0.2209044247865677 } }, { "source": "CID:67077825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46700756", "properties": { "id": "AZD-7762-LY-2606368 similarity", "source_label": "AZD-7762", "target_label": "LY-2606368", "cosine_similarity": 0.4516493380069732 } }, { "source": "CID:1714884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "AC-55649-PRIMA1 similarity", "source_label": "AC-55649", "target_label": "PRIMA1", "cosine_similarity": 0.4492549300193786 } }, { "source": "CID:54666869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54615019", "properties": { "id": "SA-1920942-SA-424827 similarity", "source_label": "SA-1920942", "target_label": "SA-424827", "cosine_similarity": 0.2446024864912033 } }, { "source": "CID:24871506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49871818", "properties": { "id": "RVX-208-JQ-1-R similarity", "source_label": "RVX-208", "target_label": "JQ-1-R", "cosine_similarity": 0.3536436259746551 } }, { "source": "CID:5906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3351", "properties": { "id": "metaraminol-fipexide similarity", "source_label": "metaraminol", "target_label": "fipexide", "cosine_similarity": 0.2023916542530059 } }, { "source": "CID:447713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12810432", "properties": { "id": "fexaramine-cefotiam similarity", "source_label": "fexaramine", "target_label": "cefotiam", "cosine_similarity": 0.2243268191814422 } }, { "source": "CID:16129666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "thiostrepton-NSC-632839 similarity", "source_label": "thiostrepton", "target_label": "NSC-632839", "cosine_similarity": 0.8179596066474915 } }, { "source": "CID:644030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "DY-131-GW-9508 similarity", "source_label": "DY-131", "target_label": "GW-9508", "cosine_similarity": 0.2548830211162567 } }, { "source": "CID:65628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "bendamustine-flecainide similarity", "source_label": "bendamustine", "target_label": "flecainide", "cosine_similarity": 0.3172049820423126 } }, { "source": "CID:11351021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "CYT-997-parbendazole similarity", "source_label": "CYT-997", "target_label": "parbendazole", "cosine_similarity": 0.7739142179489136 } }, { "source": "CID:16736978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "KU-0063794-PI-103 similarity", "source_label": "KU-0063794", "target_label": "PI-103", "cosine_similarity": 0.8441701531410217 } }, { "source": "CID:4843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216305", "properties": { "id": "piracetam-alagebrium similarity", "source_label": "piracetam", "target_label": "alagebrium", "cosine_similarity": 0.2785507440567016 } }, { "source": "CID:2956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "DAPT-GSI-IX-U-18666A similarity", "source_label": "DAPT-GSI-IX", "target_label": "U-18666A", "cosine_similarity": 0.249396875500679 } }, { "source": "CID:12041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "ethyl-pyruvate-resatorvid similarity", "source_label": "ethyl-pyruvate", "target_label": "resatorvid", "cosine_similarity": 0.2397773712873459 } }, { "source": "CID:6519698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "JIB04-VU-0418946-1 similarity", "source_label": "JIB04", "target_label": "VU-0418946-1", "cosine_similarity": 0.51969313621521 } }, { "source": "CID:5280805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "rutin-GDC-0199 similarity", "source_label": "rutin", "target_label": "GDC-0199", "cosine_similarity": 0.3934752345085144 } }, { "source": "CID:12801781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369129", "properties": { "id": "imipenem-kavain similarity", "source_label": "imipenem", "target_label": "kavain", "cosine_similarity": 0.2138312757015228 } }, { "source": "CID:16211224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "6-hydroxytropinone-genipin similarity", "source_label": "6-hydroxytropinone", "target_label": "genipin", "cosine_similarity": 0.3473378121852875 } }, { "source": "CID:9840324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "etomoxir-PF-3845 similarity", "source_label": "etomoxir", "target_label": "PF-3845", "cosine_similarity": 0.3859525620937347 } }, { "source": "CID:25227462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25073775", "properties": { "id": "PF-03758309-VS-4718 similarity", "source_label": "PF-03758309", "target_label": "VS-4718", "cosine_similarity": 0.527442455291748 } }, { "source": "CID:132519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446598", "properties": { "id": "ilomastat-clindamycin similarity", "source_label": "ilomastat", "target_label": "clindamycin", "cosine_similarity": 0.3968482315540313 } }, { "source": "CID:192197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "hexestrol-phenothrin similarity", "source_label": "hexestrol", "target_label": "phenothrin", "cosine_similarity": 0.2078141868114471 } }, { "source": "CID:44502953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "SD-6-035-B4-Gly-Gly-PALO similarity", "source_label": "SD-6-035-B4", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2850629985332489 } }, { "source": "CID:65781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ecabet-anandamide similarity", "source_label": "ecabet", "target_label": "anandamide", "cosine_similarity": 0.442353755235672 } }, { "source": "CID:45105106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "isometheptene-UNC-1215 similarity", "source_label": "isometheptene", "target_label": "UNC-1215", "cosine_similarity": 0.1928309649229049 } }, { "source": "CID:4788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "phloretin-KO-143 similarity", "source_label": "phloretin", "target_label": "KO-143", "cosine_similarity": 0.4101685285568237 } }, { "source": "CID:44462758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "PRT-062607-saracatinib similarity", "source_label": "PRT-062607", "target_label": "saracatinib", "cosine_similarity": 0.2535000145435333 } }, { "source": "CID:54660070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657707", "properties": { "id": "SA-1456734-SA-1459291 similarity", "source_label": "SA-1456734", "target_label": "SA-1459291", "cosine_similarity": 0.3385953903198242 } }, { "source": "CID:24905203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "PP-110-BMS-536924 similarity", "source_label": "PP-110", "target_label": "BMS-536924", "cosine_similarity": 0.7370878458023071 } }, { "source": "CID:11282283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "amuvatinib-RAF-265 similarity", "source_label": "amuvatinib", "target_label": "RAF-265", "cosine_similarity": 0.3737404346466064 } }, { "source": "CID:10932412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707617", "properties": { "id": "6-nitrodopamine-glutamyldopamine similarity", "source_label": "6-nitrodopamine", "target_label": "glutamyldopamine", "cosine_similarity": 0.2751102447509765 } }, { "source": "CID:6708718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561674", "properties": { "id": "lupanine-apremilast similarity", "source_label": "lupanine", "target_label": "apremilast", "cosine_similarity": 0.3345420956611633 } }, { "source": "CID:73707477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "pivmecillinam-GSK-J2 similarity", "source_label": "pivmecillinam", "target_label": "GSK-J2", "cosine_similarity": 0.2960778772830963 } }, { "source": "CID:8362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "homosalate-thiotepa similarity", "source_label": "homosalate", "target_label": "thiotepa", "cosine_similarity": 0.2690404653549194 } }, { "source": "CID:4086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "orciprenaline-levosulpiride similarity", "source_label": "orciprenaline", "target_label": "levosulpiride", "cosine_similarity": 0.6042515635490417 } }, { "source": "CID:1243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SKF-83566-FTI-276 similarity", "source_label": "SKF-83566", "target_label": "FTI-276", "cosine_similarity": 0.2420323640108108 } }, { "source": "CID:5491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "tetramethylsilane-PD-98059 similarity", "source_label": "tetramethylsilane", "target_label": "PD-98059", "cosine_similarity": 0.321547269821167 } }, { "source": "CID:66654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "xanthoxyline-thiazolopyrimidine similarity", "source_label": "xanthoxyline", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3036158680915832 } }, { "source": "CID:3567002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60860", "properties": { "id": "RS-100329-iobenguane similarity", "source_label": "RS-100329", "target_label": "iobenguane", "cosine_similarity": 0.2836729884147644 } }, { "source": "CID:604519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5468", "properties": { "id": "ipidacrine-tiaprofenic-acid similarity", "source_label": "ipidacrine", "target_label": "tiaprofenic-acid", "cosine_similarity": 0.1815849542617797 } }, { "source": "CID:121878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39042", "properties": { "id": "Y-26763-bezafibrate similarity", "source_label": "Y-26763", "target_label": "bezafibrate", "cosine_similarity": 0.4710032641887665 } }, { "source": "CID:127894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23897", "properties": { "id": "LY-215490-molindone similarity", "source_label": "LY-215490", "target_label": "molindone", "cosine_similarity": 0.4904565811157226 } }, { "source": "CID:5803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "tiratricol-dipyrocetyl similarity", "source_label": "tiratricol", "target_label": "dipyrocetyl", "cosine_similarity": 0.2558697164058685 } }, { "source": "CID:5509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "tolmetin-PT-630 similarity", "source_label": "tolmetin", "target_label": "PT-630", "cosine_similarity": 0.2452530264854431 } }, { "source": "CID:448991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "purvalanol-b-PSH-003 similarity", "source_label": "purvalanol-b", "target_label": "PSH-003", "cosine_similarity": 0.304761528968811 } }, { "source": "CID:10313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "benzohydroxamic-acid-phenothiazine similarity", "source_label": "benzohydroxamic-acid", "target_label": "phenothiazine", "cosine_similarity": 0.323259562253952 } }, { "source": "CID:16046239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "TCB2-dienestrol similarity", "source_label": "TCB2", "target_label": "dienestrol", "cosine_similarity": 0.2744754552841186 } }, { "source": "CID:3994476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "MM77-amidopyrine similarity", "source_label": "MM77", "target_label": "amidopyrine", "cosine_similarity": 0.5108121037483215 } }, { "source": "CID:2777391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "T-0070907-AG-879 similarity", "source_label": "T-0070907", "target_label": "AG-879", "cosine_similarity": 0.3495104908943176 } }, { "source": "CID:2337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:95801", "properties": { "id": "benzocaine-BTS similarity", "source_label": "benzocaine", "target_label": "BTS", "cosine_similarity": 0.2777450382709503 } }, { "source": "CID:3610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11207937", "properties": { "id": "hexylresorcinol-TMPH similarity", "source_label": "hexylresorcinol", "target_label": "TMPH", "cosine_similarity": 0.2144500613212585 } }, { "source": "CID:123964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649154", "properties": { "id": "ASA-404-tegobuvir similarity", "source_label": "ASA-404", "target_label": "tegobuvir", "cosine_similarity": 0.3499025404453277 } }, { "source": "CID:44187362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "AS-703026-PD-0325901 similarity", "source_label": "AS-703026", "target_label": "PD-0325901", "cosine_similarity": 0.7385822534561157 } }, { "source": "CID:6338099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5356121", "properties": { "id": "securinine-flavokavain-b similarity", "source_label": "securinine", "target_label": "flavokavain-b", "cosine_similarity": 0.2750764787197113 } }, { "source": "CID:3607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9801", "properties": { "id": "hexetidine-prenylamine similarity", "source_label": "hexetidine", "target_label": "prenylamine", "cosine_similarity": 0.2459387779235839 } }, { "source": "CID:216327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2343", "properties": { "id": "senicapoc-benzthiazide similarity", "source_label": "senicapoc", "target_label": "benzthiazide", "cosine_similarity": 0.374000608921051 } }, { "source": "CID:9549305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "PQ-401-RJC-00245SC similarity", "source_label": "PQ-401", "target_label": "RJC-00245SC", "cosine_similarity": 0.2251300066709518 } }, { "source": "CID:73707410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "ebelactone-b-parbendazole similarity", "source_label": "ebelactone-b", "target_label": "parbendazole", "cosine_similarity": 0.3027372658252716 } }, { "source": "CID:121928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46199646", "properties": { "id": "amiprilose-VX-661 similarity", "source_label": "amiprilose", "target_label": "VX-661", "cosine_similarity": 0.3119153380393982 } }, { "source": "CID:5281037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "eprosartan-BMS-191011 similarity", "source_label": "eprosartan", "target_label": "BMS-191011", "cosine_similarity": 0.3200497329235077 } }, { "source": "CID:460747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "STK-397047-NSC-663284 similarity", "source_label": "STK-397047", "target_label": "NSC-663284", "cosine_similarity": 0.635275661945343 } }, { "source": "CID:3899541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4943", "properties": { "id": "DNQX-propofol similarity", "source_label": "DNQX", "target_label": "propofol", "cosine_similarity": 0.2953549325466156 } }, { "source": "CID:54658402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-1458026-SA-419010 similarity", "source_label": "SA-1458026", "target_label": "SA-419010", "cosine_similarity": 0.3041229546070099 } }, { "source": "CID:119565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "l-bso-PT-630 similarity", "source_label": "l-bso", "target_label": "PT-630", "cosine_similarity": 0.3500713407993316 } }, { "source": "CID:92766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "corynanthine-thiazolopyrimidine similarity", "source_label": "corynanthine", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2855244278907776 } }, { "source": "CID:4846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "pirenoxine-vismodegib similarity", "source_label": "pirenoxine", "target_label": "vismodegib", "cosine_similarity": 0.2604585289955139 } }, { "source": "CID:39186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54892", "properties": { "id": "diltiazem-quinapril similarity", "source_label": "diltiazem", "target_label": "quinapril", "cosine_similarity": 0.2928630709648132 } }, { "source": "CID:24747272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "PSH-023-morin similarity", "source_label": "PSH-023", "target_label": "morin", "cosine_similarity": 0.2479094713926315 } }, { "source": "CID:3585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "hemicholinium-3-SA-1920722 similarity", "source_label": "hemicholinium-3", "target_label": "SA-1920722", "cosine_similarity": 0.3399278223514557 } }, { "source": "CID:4707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "PD-158780-cobimetinib similarity", "source_label": "PD-158780", "target_label": "cobimetinib", "cosine_similarity": 0.5320315957069397 } }, { "source": "CID:6708532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2703", "properties": { "id": "methyl-angolensate-chelerythrine similarity", "source_label": "methyl-angolensate", "target_label": "chelerythrine", "cosine_similarity": 0.153248518705368 } }, { "source": "CID:44487665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505490", "properties": { "id": "SA-85377-SA-419172 similarity", "source_label": "SA-85377", "target_label": "SA-419172", "cosine_similarity": 0.3836866617202759 } }, { "source": "CID:4855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3077", "properties": { "id": "piromidic-acid-dimaprit similarity", "source_label": "piromidic-acid", "target_label": "dimaprit", "cosine_similarity": 0.2662048935890198 } }, { "source": "CID:24747230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "UTMB-00042-TUL-XXI039 similarity", "source_label": "UTMB-00042", "target_label": "TUL-XXI039", "cosine_similarity": 0.2147261202335357 } }, { "source": "CID:2583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "carteolol-TUL_XIX003 similarity", "source_label": "carteolol", "target_label": "TUL_XIX003", "cosine_similarity": 0.2448494583368301 } }, { "source": "CID:4746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "perhexiline-RS-17053 similarity", "source_label": "perhexiline", "target_label": "RS-17053", "cosine_similarity": 0.6681908369064331 } }, { "source": "CID:4098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702135", "properties": { "id": "methapyrilene-strychnine similarity", "source_label": "methapyrilene", "target_label": "strychnine", "cosine_similarity": 0.3080529272556305 } }, { "source": "CID:3291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "ethosuximide-zolpidem similarity", "source_label": "ethosuximide", "target_label": "zolpidem", "cosine_similarity": 0.1994403600692749 } }, { "source": "CID:60186794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654463", "properties": { "id": "SA-1939064-SA-1472542 similarity", "source_label": "SA-1939064", "target_label": "SA-1472542", "cosine_similarity": 0.2334178686141967 } }, { "source": "CID:5330790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "JNJ-7706621-AG-14361 similarity", "source_label": "JNJ-7706621", "target_label": "AG-14361", "cosine_similarity": 0.6533080339431763 } }, { "source": "CID:24747169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747193", "properties": { "id": "PSH-024-JAS07-005 similarity", "source_label": "PSH-024", "target_label": "JAS07-005", "cosine_similarity": 0.3079615235328674 } }, { "source": "CID:6710772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1317466", "properties": { "id": "lysylphenylalanyl-tyrosine-SJ-172550 similarity", "source_label": "lysylphenylalanyl-tyrosine", "target_label": "SJ-172550", "cosine_similarity": 0.2978369891643524 } }, { "source": "CID:38258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707462", "properties": { "id": "imidazolidinyl-urea-alfadolone similarity", "source_label": "imidazolidinyl-urea", "target_label": "alfadolone", "cosine_similarity": 0.2023097276687622 } }, { "source": "CID:5353685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093", "properties": { "id": "I-OMe-AG-538-niridazole similarity", "source_label": "I-OMe-AG-538", "target_label": "niridazole", "cosine_similarity": 0.2491230219602584 } }, { "source": "CID:8400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "benzoin-EX-527 similarity", "source_label": "benzoin", "target_label": "EX-527", "cosine_similarity": 0.2323637455701828 } }, { "source": "CID:3683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "ICI-204448-cilostazol similarity", "source_label": "ICI-204448", "target_label": "cilostazol", "cosine_similarity": 0.2918332517147064 } }, { "source": "CID:54667575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1921599-SA-96816 similarity", "source_label": "SA-1921599", "target_label": "SA-96816", "cosine_similarity": 0.3137947916984558 } }, { "source": "CID:54657738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-1458487-SA-1459173 similarity", "source_label": "SA-1458487", "target_label": "SA-1459173", "cosine_similarity": 0.2881520986557007 } }, { "source": "CID:54660156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657705", "properties": { "id": "SA-1459854-SA-1459172 similarity", "source_label": "SA-1459854", "target_label": "SA-1459172", "cosine_similarity": 0.3161573708057403 } }, { "source": "CID:3610881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "EMF-sumo1-5-Gossypetin similarity", "source_label": "EMF-sumo1-5", "target_label": "Gossypetin", "cosine_similarity": 0.3154820799827575 } }, { "source": "CID:5362124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "benazepril-iguratimod similarity", "source_label": "benazepril", "target_label": "iguratimod", "cosine_similarity": 0.3661456108093261 } }, { "source": "CID:5754137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "BAM-7-GW-5074 similarity", "source_label": "BAM-7", "target_label": "GW-5074", "cosine_similarity": 0.2818844616413116 } }, { "source": "CID:1201549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65637", "properties": { "id": "benzatropine-zatebradine similarity", "source_label": "benzatropine", "target_label": "zatebradine", "cosine_similarity": 0.2748909592628479 } }, { "source": "CID:4417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "naftidrofuryl-saxagliptin similarity", "source_label": "naftidrofuryl", "target_label": "saxagliptin", "cosine_similarity": 0.4645255804061889 } }, { "source": "CID:657255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "suloctidil-I-606051 similarity", "source_label": "suloctidil", "target_label": "I-606051", "cosine_similarity": 0.6410323977470398 } }, { "source": "CID:2921148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "BRL-50481-rolipram similarity", "source_label": "BRL-50481", "target_label": "rolipram", "cosine_similarity": 0.3468973934650421 } }, { "source": "CID:6918736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "rigosertib-D-64131 similarity", "source_label": "rigosertib", "target_label": "D-64131", "cosine_similarity": 0.738763153553009 } }, { "source": "CID:2577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "carmofur-SN-38 similarity", "source_label": "carmofur", "target_label": "SN-38", "cosine_similarity": 0.3292185068130493 } }, { "source": "CID:4008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "manidipine-dasatinib similarity", "source_label": "manidipine", "target_label": "dasatinib", "cosine_similarity": 0.2896713316440582 } }, { "source": "CID:45105106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034756", "properties": { "id": "isometheptene-formoterol similarity", "source_label": "isometheptene", "target_label": "formoterol", "cosine_similarity": 0.1803648769855499 } }, { "source": "CID:6604926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "SB-334867-molsidomine similarity", "source_label": "SB-334867", "target_label": "molsidomine", "cosine_similarity": 0.377636045217514 } }, { "source": "CID:334704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281708", "properties": { "id": "marmesin-daidzein similarity", "source_label": "marmesin", "target_label": "daidzein", "cosine_similarity": 0.2882861196994781 } }, { "source": "CID:5702090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "naloxone-Gly-Gly-PALO similarity", "source_label": "naloxone", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4219373762607574 } }, { "source": "CID:4353886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "FR-139317-fumonisin-b1 similarity", "source_label": "FR-139317", "target_label": "fumonisin-b1", "cosine_similarity": 0.2589892745018005 } }, { "source": "CID:131682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "safinamide-apocynin similarity", "source_label": "safinamide", "target_label": "apocynin", "cosine_similarity": 0.3469625115394592 } }, { "source": "CID:3547", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "fasudil-PT-630 similarity", "source_label": "fasudil", "target_label": "PT-630", "cosine_similarity": 0.4256712794303894 } }, { "source": "CID:133076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503242", "properties": { "id": "RS-67506-SA-244587 similarity", "source_label": "RS-67506", "target_label": "SA-244587", "cosine_similarity": 0.2434336692094802 } }, { "source": "CID:10219702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "DR-2313-FTI-276 similarity", "source_label": "DR-2313", "target_label": "FTI-276", "cosine_similarity": 0.4091797173023224 } }, { "source": "CID:5641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "urethane-MDL-28170 similarity", "source_label": "urethane", "target_label": "MDL-28170", "cosine_similarity": 0.276450902223587 } }, { "source": "CID:11387409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "oglemilast-sulpiride similarity", "source_label": "oglemilast", "target_label": "sulpiride", "cosine_similarity": 0.2968555688858032 } }, { "source": "CID:44483303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "gelsemine-carbamazepine similarity", "source_label": "gelsemine", "target_label": "carbamazepine", "cosine_similarity": 0.2837220728397369 } }, { "source": "CID:25124816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "GSK-1904529A-vandetanib similarity", "source_label": "GSK-1904529A", "target_label": "vandetanib", "cosine_similarity": 0.3026091456413269 } }, { "source": "CID:49843318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "SD-6-035-A11-AZD-6482 similarity", "source_label": "SD-6-035-A11", "target_label": "AZD-6482", "cosine_similarity": 0.3013343811035156 } }, { "source": "CID:5037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "ramifenazone-leucovorin similarity", "source_label": "ramifenazone", "target_label": "leucovorin", "cosine_similarity": 0.2614915668964386 } }, { "source": "CID:10295295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "palovarotene-S-18986 similarity", "source_label": "palovarotene", "target_label": "S-18986", "cosine_similarity": 0.4157727658748626 } }, { "source": "CID:5522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "tracazolate-levocabastine similarity", "source_label": "tracazolate", "target_label": "levocabastine", "cosine_similarity": 0.375519186258316 } }, { "source": "CID:11949652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128268", "properties": { "id": "teneligliptin-FPL-62064 similarity", "source_label": "teneligliptin", "target_label": "FPL-62064", "cosine_similarity": 0.3937378823757171 } }, { "source": "CID:25033539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "PF-04691502-GDC-0980 similarity", "source_label": "PF-04691502", "target_label": "GDC-0980", "cosine_similarity": 0.7755497694015503 } }, { "source": "CID:3194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23633604", "properties": { "id": "ebselen-LX-1031 similarity", "source_label": "ebselen", "target_label": "LX-1031", "cosine_similarity": 0.3169356882572174 } }, { "source": "CID:9821459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475", "properties": { "id": "J-104129-tilorone similarity", "source_label": "J-104129", "target_label": "tilorone", "cosine_similarity": 0.2434665858745575 } }, { "source": "CID:2951172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "EMF-sumo1-6-ST-059620 similarity", "source_label": "EMF-sumo1-6", "target_label": "ST-059620", "cosine_similarity": 0.3875746726989746 } }, { "source": "CID:6918453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "auranofin-K784-3188 similarity", "source_label": "auranofin", "target_label": "K784-3188", "cosine_similarity": 0.6318286061286926 } }, { "source": "CID:11488320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187362", "properties": { "id": "AZD-8931-AS-703026 similarity", "source_label": "AZD-8931", "target_label": "AS-703026", "cosine_similarity": 0.3218485713005066 } }, { "source": "CID:4737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918305", "properties": { "id": "pentobarbital-ganaxolone similarity", "source_label": "pentobarbital", "target_label": "ganaxolone", "cosine_similarity": 0.2371375560760498 } }, { "source": "CID:49850262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601455", "properties": { "id": "tubastatin-a-WT-171 similarity", "source_label": "tubastatin-a", "target_label": "WT-171", "cosine_similarity": 0.2786268591880798 } }, { "source": "CID:9818682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9823820", "properties": { "id": "UK-383367-lenvatinib similarity", "source_label": "UK-383367", "target_label": "lenvatinib", "cosine_similarity": 0.4293831884860992 } }, { "source": "CID:2113511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "T-5345967-navitoclax similarity", "source_label": "T-5345967", "target_label": "navitoclax", "cosine_similarity": 0.5374995470046997 } }, { "source": "CID:2467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "buflomedil-berberine similarity", "source_label": "buflomedil", "target_label": "berberine", "cosine_similarity": 0.3061903417110443 } }, { "source": "CID:5281071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442544", "properties": { "id": "olopatadine-tremulacin similarity", "source_label": "olopatadine", "target_label": "tremulacin", "cosine_similarity": 0.2782250940799713 } }, { "source": "CID:5268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5392245", "properties": { "id": "spiroxatrine-calycanthine similarity", "source_label": "spiroxatrine", "target_label": "calycanthine", "cosine_similarity": 0.2981989979743957 } }, { "source": "CID:11674376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "UBP-302-FTI-276 similarity", "source_label": "UBP-302", "target_label": "FTI-276", "cosine_similarity": 0.3496389091014862 } }, { "source": "CID:2753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "cilostamide-mestranol similarity", "source_label": "cilostamide", "target_label": "mestranol", "cosine_similarity": 0.2370051145553589 } }, { "source": "CID:5702135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "strychnine-VER-155008 similarity", "source_label": "strychnine", "target_label": "VER-155008", "cosine_similarity": 0.3188718557357788 } }, { "source": "CID:6918878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "Merck60-tacedinaline similarity", "source_label": "Merck60", "target_label": "tacedinaline", "cosine_similarity": 0.455578088760376 } }, { "source": "CID:5338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "sulfaquinoxaline-ARG-TC-41 similarity", "source_label": "sulfaquinoxaline", "target_label": "ARG-TC-41", "cosine_similarity": 0.2826785147190094 } }, { "source": "CID:71693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25031915", "properties": { "id": "fomocaine-lucitanib similarity", "source_label": "fomocaine", "target_label": "lucitanib", "cosine_similarity": 0.3416743576526642 } }, { "source": "CID:54676478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "roquinimex-LY-215490 similarity", "source_label": "roquinimex", "target_label": "LY-215490", "cosine_similarity": 0.5083678960800171 } }, { "source": "CID:44246499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "TEPP-46-MW-MITF28 similarity", "source_label": "TEPP-46", "target_label": "MW-MITF28", "cosine_similarity": 0.3261817991733551 } }, { "source": "CID:1727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "dalfampridine-castanospermine similarity", "source_label": "dalfampridine", "target_label": "castanospermine", "cosine_similarity": 0.3825752139091491 } }, { "source": "CID:6605258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "CGK-733-tyrphostin-A9 similarity", "source_label": "CGK-733", "target_label": "tyrphostin-A9", "cosine_similarity": 0.580646812915802 } }, { "source": "CID:8433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:260972", "properties": { "id": "dibenzoylmethane-EMF-sumo1-8 similarity", "source_label": "dibenzoylmethane", "target_label": "EMF-sumo1-8", "cosine_similarity": 0.2931511998176574 } }, { "source": "CID:44601473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "KU-C103898N-dipyrocetyl similarity", "source_label": "KU-C103898N", "target_label": "dipyrocetyl", "cosine_similarity": 0.209920048713684 } }, { "source": "CID:447713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5387", "properties": { "id": "fexaramine-telenzepine similarity", "source_label": "fexaramine", "target_label": "telenzepine", "cosine_similarity": 0.2225260287523269 } }, { "source": "CID:10461815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "PHA-665752-trifluoperazine similarity", "source_label": "PHA-665752", "target_label": "trifluoperazine", "cosine_similarity": 0.4224282801151275 } }, { "source": "CID:5702063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "guanaben-acetate-zolpidem similarity", "source_label": "guanaben-acetate", "target_label": "zolpidem", "cosine_similarity": 0.4127525687217712 } }, { "source": "CID:2063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "tyrphostin-1-gatifloxacin similarity", "source_label": "tyrphostin-1", "target_label": "gatifloxacin", "cosine_similarity": 0.33730548620224 } }, { "source": "CID:5430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4495", "properties": { "id": "tiabendazole-nimesulide similarity", "source_label": "tiabendazole", "target_label": "nimesulide", "cosine_similarity": 0.3777801990509033 } }, { "source": "CID:44516953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "PF-05212384-sirolimus similarity", "source_label": "PF-05212384", "target_label": "sirolimus", "cosine_similarity": 0.6913958191871643 } }, { "source": "CID:24871506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "RVX-208-castanospermine similarity", "source_label": "RVX-208", "target_label": "castanospermine", "cosine_similarity": 0.306555688381195 } }, { "source": "CID:11719003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "BVD-523-AZ-628 similarity", "source_label": "BVD-523", "target_label": "AZ-628", "cosine_similarity": 0.5911966562271118 } }, { "source": "CID:122162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "luzindole-FTI-276 similarity", "source_label": "luzindole", "target_label": "FTI-276", "cosine_similarity": 0.2829371094703674 } }, { "source": "CID:9848818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "ursodeoxycholyltaurine-KIN001-269 similarity", "source_label": "ursodeoxycholyltaurine", "target_label": "KIN001-269", "cosine_similarity": 0.2924085259437561 } }, { "source": "CID:44187362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "AS-703026-cobimetinib similarity", "source_label": "AS-703026", "target_label": "cobimetinib", "cosine_similarity": 0.6918109059333801 } }, { "source": "CID:26757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "selegiline-inositol similarity", "source_label": "selegiline", "target_label": "inositol", "cosine_similarity": 0.4277711510658264 } }, { "source": "CID:44182295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "refametinib-AZD-8330 similarity", "source_label": "refametinib", "target_label": "AZD-8330", "cosine_similarity": 0.7037129998207092 } }, { "source": "CID:3941250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2419", "properties": { "id": "nitrocaramiphen-BMY-7378 similarity", "source_label": "nitrocaramiphen", "target_label": "BMY-7378", "cosine_similarity": 0.3456180095672607 } }, { "source": "CID:60149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282451", "properties": { "id": "sertindole-pitavastatin similarity", "source_label": "sertindole", "target_label": "pitavastatin", "cosine_similarity": 0.321799099445343 } }, { "source": "CID:5944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505769", "properties": { "id": "cantharidin-SA-418267 similarity", "source_label": "cantharidin", "target_label": "SA-418267", "cosine_similarity": 0.2416419237852096 } }, { "source": "CID:131906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549297", "properties": { "id": "S-14506-SU-11274 similarity", "source_label": "S-14506", "target_label": "SU-11274", "cosine_similarity": 0.2589803040027618 } }, { "source": "CID:442128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "dihydrosamidin-HO-013 similarity", "source_label": "dihydrosamidin", "target_label": "HO-013", "cosine_similarity": 0.3380803167819977 } }, { "source": "CID:441074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4938", "properties": { "id": "quinidine-propentofylline similarity", "source_label": "quinidine", "target_label": "propentofylline", "cosine_similarity": 0.3376051783561706 } }, { "source": "CID:44251479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943258", "properties": { "id": "VU-0405166-2-VU-0424206-1 similarity", "source_label": "VU-0405166-2", "target_label": "VU-0424206-1", "cosine_similarity": 0.3282158076763153 } }, { "source": "CID:6697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "benzanthrone-dipyrocetyl similarity", "source_label": "benzanthrone", "target_label": "dipyrocetyl", "cosine_similarity": 0.3786604106426239 } }, { "source": "CID:24872560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2366", "properties": { "id": "ARN-509-betahistine similarity", "source_label": "ARN-509", "target_label": "betahistine", "cosine_similarity": 0.2870450615882873 } }, { "source": "CID:60854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2286", "properties": { "id": "ziprasidone-BADGE similarity", "source_label": "ziprasidone", "target_label": "BADGE", "cosine_similarity": 0.3739954233169555 } }, { "source": "CID:2783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275777", "properties": { "id": "clenbuterol-betrixaban similarity", "source_label": "clenbuterol", "target_label": "betrixaban", "cosine_similarity": 0.3947915136814117 } }, { "source": "CID:708857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "pyrantel-pamoate-palmatine-chloride similarity", "source_label": "pyrantel-pamoate", "target_label": "palmatine-chloride", "cosine_similarity": 0.3010730147361755 } }, { "source": "CID:8029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "furan-TAK-715 similarity", "source_label": "furan", "target_label": "TAK-715", "cosine_similarity": 0.2842709720134735 } }, { "source": "CID:24747193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "JAS07-005-glutamine similarity", "source_label": "JAS07-005", "target_label": "glutamine", "cosine_similarity": 0.3673396408557892 } }, { "source": "CID:8969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "yohimbine-ICI-162846 similarity", "source_label": "yohimbine", "target_label": "ICI-162846", "cosine_similarity": 0.571419358253479 } }, { "source": "CID:9934347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56655374", "properties": { "id": "NVP-TAE226-HG-14-10-04 similarity", "source_label": "NVP-TAE226", "target_label": "HG-14-10-04", "cosine_similarity": 0.6473925709724426 } }, { "source": "CID:133538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119192", "properties": { "id": "SKF-83959-SR-48692 similarity", "source_label": "SKF-83959", "target_label": "SR-48692", "cosine_similarity": 0.2728961110115051 } }, { "source": "CID:22693263", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449196", "properties": { "id": "RAN-02-androstanol similarity", "source_label": "RAN-02", "target_label": "androstanol", "cosine_similarity": 0.2597346007823944 } }, { "source": "CID:3957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5496659", "properties": { "id": "loratadine-otamixaban similarity", "source_label": "loratadine", "target_label": "otamixaban", "cosine_similarity": 0.3954521417617798 } }, { "source": "CID:129009918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "pregnenolone-PRIMA1 similarity", "source_label": "pregnenolone", "target_label": "PRIMA1", "cosine_similarity": 0.5224761962890625 } }, { "source": "CID:3970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2984", "properties": { "id": "LY-278584-denbufylline similarity", "source_label": "LY-278584", "target_label": "denbufylline", "cosine_similarity": 0.2372236400842666 } }, { "source": "CID:2480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3677", "properties": { "id": "butacaine-mephentermine similarity", "source_label": "butacaine", "target_label": "mephentermine", "cosine_similarity": 0.2045356929302215 } }, { "source": "CID:135398510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "dovitinib-HG-6-64-01 similarity", "source_label": "dovitinib", "target_label": "HG-6-64-01", "cosine_similarity": 0.4533818662166595 } }, { "source": "CID:4485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18721", "properties": { "id": "nifedipine-apigenin similarity", "source_label": "nifedipine", "target_label": "apigenin", "cosine_similarity": 0.4593657851219177 } }, { "source": "CID:4060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "mephenytoin-TUL-XX025TFA similarity", "source_label": "mephenytoin", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2573420107364654 } }, { "source": "CID:23606608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "EMF-sumo1-10-PRIMA1 similarity", "source_label": "EMF-sumo1-10", "target_label": "PRIMA1", "cosine_similarity": 0.3767413198947906 } }, { "source": "CID:44484569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "SA-423167-gemfibrozil similarity", "source_label": "SA-423167", "target_label": "gemfibrozil", "cosine_similarity": 0.2106022834777832 } }, { "source": "CID:5362116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433109", "properties": { "id": "delapril-XBD-173 similarity", "source_label": "delapril", "target_label": "XBD-173", "cosine_similarity": 0.2627117335796356 } }, { "source": "CID:130881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "olmesartan-medoxomil-yohimbine similarity", "source_label": "olmesartan-medoxomil", "target_label": "yohimbine", "cosine_similarity": 0.424534797668457 } }, { "source": "CID:16759369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1604254", "properties": { "id": "ZM-323881-RAN-03 similarity", "source_label": "ZM-323881", "target_label": "RAN-03", "cosine_similarity": 0.2570312023162842 } }, { "source": "CID:5330790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191454", "properties": { "id": "JNJ-7706621-PHA-793887 similarity", "source_label": "JNJ-7706621", "target_label": "PHA-793887", "cosine_similarity": 0.593833863735199 } }, { "source": "CID:3336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "fendiline-primaquine similarity", "source_label": "fendiline", "target_label": "primaquine", "cosine_similarity": 0.3364422023296356 } }, { "source": "CID:6010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29985980", "properties": { "id": "testosterone-norgestrel similarity", "source_label": "testosterone", "target_label": "norgestrel", "cosine_similarity": 0.2103600651025772 } }, { "source": "CID:70311789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "LGX-818-I-BET-762 similarity", "source_label": "LGX-818", "target_label": "I-BET-762", "cosine_similarity": 0.5892724990844727 } }, { "source": "CID:229021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135409453", "properties": { "id": "methandriol-tegaserod similarity", "source_label": "methandriol", "target_label": "tegaserod", "cosine_similarity": 0.200836643576622 } }, { "source": "CID:439285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2541", "properties": { "id": "choline-alfoscerate-candesartan similarity", "source_label": "choline-alfoscerate", "target_label": "candesartan", "cosine_similarity": 0.3122448921203613 } }, { "source": "CID:3408722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2712", "properties": { "id": "nafadotride-chlordiazepoxide similarity", "source_label": "nafadotride", "target_label": "chlordiazepoxide", "cosine_similarity": 0.3009557425975799 } }, { "source": "CID:2603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "CCCP-AG-879 similarity", "source_label": "CCCP", "target_label": "AG-879", "cosine_similarity": 0.5380449891090393 } }, { "source": "CID:2951859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "DAC-009-DAC-012 similarity", "source_label": "DAC-009", "target_label": "DAC-012", "cosine_similarity": 0.6887219548225403 } }, { "source": "CID:4450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "nefopam-SB-683698 similarity", "source_label": "nefopam", "target_label": "SB-683698", "cosine_similarity": 0.4072501957416534 } }, { "source": "CID:15376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9690109", "properties": { "id": "vincamine-armodafinil similarity", "source_label": "vincamine", "target_label": "armodafinil", "cosine_similarity": 0.3509283363819122 } }, { "source": "CID:60823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "atorvastatin-thioridazine similarity", "source_label": "atorvastatin", "target_label": "thioridazine", "cosine_similarity": 0.6160046458244324 } }, { "source": "CID:4091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "metformin-cyclizine similarity", "source_label": "metformin", "target_label": "cyclizine", "cosine_similarity": 0.4975118935108185 } }, { "source": "CID:2378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "bifonazole-cabozantinib similarity", "source_label": "bifonazole", "target_label": "cabozantinib", "cosine_similarity": 0.3016805946826935 } }, { "source": "CID:644215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "CGP-60474-PIK-75 similarity", "source_label": "CGP-60474", "target_label": "PIK-75", "cosine_similarity": 0.8666050434112549 } }, { "source": "CID:456199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "PA-824-isradipine similarity", "source_label": "PA-824", "target_label": "isradipine", "cosine_similarity": 0.2236093133687973 } }, { "source": "CID:11292191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623946", "properties": { "id": "AZD-1981-N-6022 similarity", "source_label": "AZD-1981", "target_label": "N-6022", "cosine_similarity": 0.3676642477512359 } }, { "source": "CID:598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869940", "properties": { "id": "mesna-VU-0415374-1 similarity", "source_label": "mesna", "target_label": "VU-0415374-1", "cosine_similarity": 0.3399813771247864 } }, { "source": "CID:2663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43231", "properties": { "id": "celiprolol-clorsulon similarity", "source_label": "celiprolol", "target_label": "clorsulon", "cosine_similarity": 0.3107728958129883 } }, { "source": "CID:26987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "clemastine-tetrandrine similarity", "source_label": "clemastine", "target_label": "tetrandrine", "cosine_similarity": 0.574669599533081 } }, { "source": "CID:4673492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "ZD-7155-methyl-fasudil similarity", "source_label": "ZD-7155", "target_label": "methyl-fasudil", "cosine_similarity": 0.2749808430671692 } }, { "source": "CID:637858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "piperlongumine-CT-200783 similarity", "source_label": "piperlongumine", "target_label": "CT-200783", "cosine_similarity": 0.8530777096748352 } }, { "source": "CID:5143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "saccharin-topiramate similarity", "source_label": "saccharin", "target_label": "topiramate", "cosine_similarity": 0.3156221210956573 } }, { "source": "CID:398148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "NU-6027-metamizole similarity", "source_label": "NU-6027", "target_label": "metamizole", "cosine_similarity": 0.3076019287109375 } }, { "source": "CID:73707408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2802894", "properties": { "id": "megestrol-LY-288513 similarity", "source_label": "megestrol", "target_label": "LY-288513", "cosine_similarity": 0.1976949870586395 } }, { "source": "CID:214348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "deferasirox-VU-0410183-2 similarity", "source_label": "deferasirox", "target_label": "VU-0410183-2", "cosine_similarity": 0.3547799587249756 } }, { "source": "CID:54654478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:95801", "properties": { "id": "SA-1472548-BTS similarity", "source_label": "SA-1472548", "target_label": "BTS", "cosine_similarity": 0.2427970916032791 } }, { "source": "CID:3180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657739", "properties": { "id": "dyclonine-SA-1458189 similarity", "source_label": "dyclonine", "target_label": "SA-1458189", "cosine_similarity": 0.1576723754405975 } }, { "source": "CID:92974", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "droxidopa-evoxine similarity", "source_label": "droxidopa", "target_label": "evoxine", "cosine_similarity": 0.1952662467956543 } }, { "source": "CID:129009963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445540", "properties": { "id": "cabazitaxel-ixabepilone similarity", "source_label": "cabazitaxel", "target_label": "ixabepilone", "cosine_similarity": 0.8872970342636108 } }, { "source": "CID:44483298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "methylprednisolone-fluticasone-propionate similarity", "source_label": "methylprednisolone", "target_label": "fluticasone-propionate", "cosine_similarity": 0.6892113089561462 } }, { "source": "CID:6435415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "cilastatin-LFM-A13 similarity", "source_label": "cilastatin", "target_label": "LFM-A13", "cosine_similarity": 0.3038204908370971 } }, { "source": "CID:2531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "calmidazolium-I-070759 similarity", "source_label": "calmidazolium", "target_label": "I-070759", "cosine_similarity": 0.5972187519073486 } }, { "source": "CID:6035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "broxuridine-emedastine similarity", "source_label": "broxuridine", "target_label": "emedastine", "cosine_similarity": 0.2638409435749054 } }, { "source": "CID:82755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707614", "properties": { "id": "hydroxytyrosol-KW-06 similarity", "source_label": "hydroxytyrosol", "target_label": "KW-06", "cosine_similarity": 0.1849570125341415 } }, { "source": "CID:11351968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649325", "properties": { "id": "A-740003-AZD-1283 similarity", "source_label": "A-740003", "target_label": "AZD-1283", "cosine_similarity": 0.3312702775001526 } }, { "source": "CID:4375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "FG-7142-PT-630 similarity", "source_label": "FG-7142", "target_label": "PT-630", "cosine_similarity": 0.3125849962234497 } }, { "source": "CID:49855250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609955", "properties": { "id": "SB-939-resminostat similarity", "source_label": "SB-939", "target_label": "resminostat", "cosine_similarity": 0.7729833722114563 } }, { "source": "CID:54613929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398738", "properties": { "id": "SA-243276-dacarbazine similarity", "source_label": "SA-243276", "target_label": "dacarbazine", "cosine_similarity": 0.2440592348575592 } }, { "source": "CID:441029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4725", "properties": { "id": "fosfomycin-penciclovir similarity", "source_label": "fosfomycin", "target_label": "penciclovir", "cosine_similarity": 0.3530923128128052 } }, { "source": "CID:6708584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "isogedunin-N-methylquipazine similarity", "source_label": "isogedunin", "target_label": "N-methylquipazine", "cosine_similarity": 0.2390192151069641 } }, { "source": "CID:7028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "pseudoephedrine-zolpidem similarity", "source_label": "pseudoephedrine", "target_label": "zolpidem", "cosine_similarity": 0.2729092240333557 } }, { "source": "CID:24780598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943243", "properties": { "id": "danirixin-VU-0424182-2 similarity", "source_label": "danirixin", "target_label": "VU-0424182-2", "cosine_similarity": 0.1702967137098312 } }, { "source": "CID:38081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "flunixin-grazoprevir similarity", "source_label": "flunixin", "target_label": "grazoprevir", "cosine_similarity": 0.4484745860099792 } }, { "source": "CID:176408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "SCH-58261-amikacin similarity", "source_label": "SCH-58261", "target_label": "amikacin", "cosine_similarity": 0.4233680963516235 } }, { "source": "CID:135398516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "OSI-027-AZD-8055 similarity", "source_label": "OSI-027", "target_label": "AZD-8055", "cosine_similarity": 0.8613381385803223 } }, { "source": "CID:24094187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "UGISS-451-I-070759 similarity", "source_label": "UGISS-451", "target_label": "I-070759", "cosine_similarity": 0.3541076481342315 } }, { "source": "CID:9616928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1716436", "properties": { "id": "MW-MITF24-JMW-MITF1 similarity", "source_label": "MW-MITF24", "target_label": "JMW-MITF1", "cosine_similarity": 0.7803347706794739 } }, { "source": "CID:23649325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11154555", "properties": { "id": "AZD-1283-cariprazine similarity", "source_label": "AZD-1283", "target_label": "cariprazine", "cosine_similarity": 0.2409581542015075 } }, { "source": "CID:54613797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "SA-440968-SA-1455822 similarity", "source_label": "SA-440968", "target_label": "SA-1455822", "cosine_similarity": 0.3469425737857818 } }, { "source": "CID:3036703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "zosuquidar-gefitinib similarity", "source_label": "zosuquidar", "target_label": "gefitinib", "cosine_similarity": 0.4434657692909241 } }, { "source": "CID:6708703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "deoxyrhapontin-RG-108 similarity", "source_label": "deoxyrhapontin", "target_label": "RG-108", "cosine_similarity": 0.3166258037090301 } }, { "source": "CID:54657693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "SA-1973509-tyrphostin-A9 similarity", "source_label": "SA-1973509", "target_label": "tyrphostin-A9", "cosine_similarity": 0.4419484734535217 } }, { "source": "CID:386331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "quercetagetin-methylene-blue similarity", "source_label": "quercetagetin", "target_label": "methylene-blue", "cosine_similarity": 0.1868208050727844 } }, { "source": "CID:72281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "hesperetin-temozolomide similarity", "source_label": "hesperetin", "target_label": "temozolomide", "cosine_similarity": 0.2633662521839142 } }, { "source": "CID:9934458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "GW-0742-5-methoxytryptamine similarity", "source_label": "GW-0742", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.2253936678171157 } }, { "source": "CID:11511120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156414", "properties": { "id": "dacomitinib-canertinib similarity", "source_label": "dacomitinib", "target_label": "canertinib", "cosine_similarity": 0.4939744174480438 } }, { "source": "CID:7108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "phenothiazine-lenalidomide similarity", "source_label": "phenothiazine", "target_label": "lenalidomide", "cosine_similarity": 0.4469589591026306 } }, { "source": "CID:223368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "equilin-zolpidem similarity", "source_label": "equilin", "target_label": "zolpidem", "cosine_similarity": 0.5165174007415771 } }, { "source": "CID:71714682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:393595", "properties": { "id": "K-145-MRS-1220 similarity", "source_label": "K-145", "target_label": "MRS-1220", "cosine_similarity": 0.319890409708023 } }, { "source": "CID:2337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "benzocaine-cephalothin similarity", "source_label": "benzocaine", "target_label": "cephalothin", "cosine_similarity": 0.2816736698150635 } }, { "source": "CID:2536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "camostat-mesilate-bicalutamide similarity", "source_label": "camostat-mesilate", "target_label": "bicalutamide", "cosine_similarity": 0.3833237588405609 } }, { "source": "CID:25257557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "CX-5461-etoposide similarity", "source_label": "CX-5461", "target_label": "etoposide", "cosine_similarity": 0.4338383078575134 } }, { "source": "CID:49843139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-433965-SA-1937536 similarity", "source_label": "SA-433965", "target_label": "SA-1937536", "cosine_similarity": 0.2815161943435669 } }, { "source": "CID:2949965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707373", "properties": { "id": "importazole-COT-10b similarity", "source_label": "importazole", "target_label": "COT-10b", "cosine_similarity": 0.6197780966758728 } }, { "source": "CID:68077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "tangeritin-lenalidomide similarity", "source_label": "tangeritin", "target_label": "lenalidomide", "cosine_similarity": 0.2377302348613739 } }, { "source": "CID:4431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27559", "properties": { "id": "NAN-190-PNU-22394 similarity", "source_label": "NAN-190", "target_label": "PNU-22394", "cosine_similarity": 0.1728893965482711 } }, { "source": "CID:3559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "haloperidol-CCT-031374 similarity", "source_label": "haloperidol", "target_label": "CCT-031374", "cosine_similarity": 0.5083814263343811 } }, { "source": "CID:104865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "bosentan-rutin similarity", "source_label": "bosentan", "target_label": "rutin", "cosine_similarity": 0.3818393051624298 } }, { "source": "CID:771910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191176", "properties": { "id": "ITSA-1-aminoresveratrol similarity", "source_label": "ITSA-1", "target_label": "aminoresveratrol", "cosine_similarity": 0.3051766753196716 } }, { "source": "CID:10275789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "PIK-75-dactinomycin similarity", "source_label": "PIK-75", "target_label": "dactinomycin", "cosine_similarity": 0.8358725309371948 } }, { "source": "CID:192706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23897", "properties": { "id": "phenserine-molindone similarity", "source_label": "phenserine", "target_label": "molindone", "cosine_similarity": 0.2923537492752075 } }, { "source": "CID:38945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604889", "properties": { "id": "tocainide-SB-269970 similarity", "source_label": "tocainide", "target_label": "SB-269970", "cosine_similarity": 0.2775391042232513 } }, { "source": "CID:53484654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "tetrahydrobiopterin-zaprinast similarity", "source_label": "tetrahydrobiopterin", "target_label": "zaprinast", "cosine_similarity": 0.2494088858366012 } }, { "source": "CID:1225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "SKF-82958-IDRA-21 similarity", "source_label": "SKF-82958", "target_label": "IDRA-21", "cosine_similarity": 0.3198976814746856 } }, { "source": "CID:25126798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "ruxolitinib-GDC-0199 similarity", "source_label": "ruxolitinib", "target_label": "GDC-0199", "cosine_similarity": 0.4569264054298401 } }, { "source": "CID:9935249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159324", "properties": { "id": "tipifarnib-tipifarnib-P2 similarity", "source_label": "tipifarnib", "target_label": "tipifarnib-P2", "cosine_similarity": 0.4818215668201446 } }, { "source": "CID:122150", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "saclofen-CGS-21680 similarity", "source_label": "saclofen", "target_label": "CGS-21680", "cosine_similarity": 0.2754766941070556 } }, { "source": "CID:5353623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68844", "properties": { "id": "farnesylthioacetic-acid-brinzolamide similarity", "source_label": "farnesylthioacetic-acid", "target_label": "brinzolamide", "cosine_similarity": 0.2693049907684326 } }, { "source": "CID:10294813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "genz-644282-SN-38 similarity", "source_label": "genz-644282", "target_label": "SN-38", "cosine_similarity": 0.772810697555542 } }, { "source": "CID:5311100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "fluprostenol-SA-84512 similarity", "source_label": "fluprostenol", "target_label": "SA-84512", "cosine_similarity": 0.2752448320388794 } }, { "source": "CID:60750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "gemcitabine-floxuridine similarity", "source_label": "gemcitabine", "target_label": "floxuridine", "cosine_similarity": 0.8243257403373718 } }, { "source": "CID:3763775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "MW-MITF22-UNC-0321 similarity", "source_label": "MW-MITF22", "target_label": "UNC-0321", "cosine_similarity": 0.3620344996452331 } }, { "source": "CID:24748573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "CX-4945-vemurafenib similarity", "source_label": "CX-4945", "target_label": "vemurafenib", "cosine_similarity": 0.4321299195289612 } }, { "source": "CID:29083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441314", "properties": { "id": "caroxazone-miglitol similarity", "source_label": "caroxazone", "target_label": "miglitol", "cosine_similarity": 0.1474300026893615 } }, { "source": "CID:3038522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "tandutinib-lomerizine similarity", "source_label": "tandutinib", "target_label": "lomerizine", "cosine_similarity": 0.5677085518836975 } }, { "source": "CID:57782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59768", "properties": { "id": "lisofylline-esmolol similarity", "source_label": "lisofylline", "target_label": "esmolol", "cosine_similarity": 0.308688759803772 } }, { "source": "CID:3342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2208391", "properties": { "id": "fenoprofen-BJM-HSC2-10 similarity", "source_label": "fenoprofen", "target_label": "BJM-HSC2-10", "cosine_similarity": 0.2437489479780197 } }, { "source": "CID:456214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "purvalanol-a-gemcitabine similarity", "source_label": "purvalanol-a", "target_label": "gemcitabine", "cosine_similarity": 0.312417596578598 } }, { "source": "CID:5488645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "latamoxef-levopropoxyphene similarity", "source_label": "latamoxef", "target_label": "levopropoxyphene", "cosine_similarity": 0.1955467611551284 } }, { "source": "CID:2688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "CGP-37157-lamotrigine similarity", "source_label": "CGP-37157", "target_label": "lamotrigine", "cosine_similarity": 0.4036566615104675 } }, { "source": "CID:2562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492524", "properties": { "id": "pentoxyverine-SA-242939 similarity", "source_label": "pentoxyverine", "target_label": "SA-242939", "cosine_similarity": 0.3402032554149627 } }, { "source": "CID:5487427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47318", "properties": { "id": "tiotropium-oltipraz similarity", "source_label": "tiotropium", "target_label": "oltipraz", "cosine_similarity": 0.2290676087141037 } }, { "source": "CID:135409468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "desmethylclozapine-BIBU-1361 similarity", "source_label": "desmethylclozapine", "target_label": "BIBU-1361", "cosine_similarity": 0.4367093443870544 } }, { "source": "CID:153994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2750", "properties": { "id": "cleviprex-ciglitazone similarity", "source_label": "cleviprex", "target_label": "ciglitazone", "cosine_similarity": 0.1985561996698379 } }, { "source": "CID:761523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "m-3M3FBS-GW-5074 similarity", "source_label": "m-3M3FBS", "target_label": "GW-5074", "cosine_similarity": 0.3409309685230255 } }, { "source": "CID:4630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "oxotremorine-sesquifumarate-zebularine similarity", "source_label": "oxotremorine-sesquifumarate", "target_label": "zebularine", "cosine_similarity": 0.2353305071592331 } }, { "source": "CID:3749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5717", "properties": { "id": "irbesartan-zafirlukast similarity", "source_label": "irbesartan", "target_label": "zafirlukast", "cosine_similarity": 0.3323393762111664 } }, { "source": "CID:14182642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44721090", "properties": { "id": "propanoic-acid-methoxypyruvic-acid similarity", "source_label": "propanoic-acid", "target_label": "methoxypyruvic-acid", "cosine_similarity": 0.2124431580305099 } }, { "source": "CID:3213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "ellipticine-mitoxantrone similarity", "source_label": "ellipticine", "target_label": "mitoxantrone", "cosine_similarity": 0.4896071851253509 } }, { "source": "CID:4097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "methantheline-Gossypetin similarity", "source_label": "methantheline", "target_label": "Gossypetin", "cosine_similarity": 0.2613945305347442 } }, { "source": "CID:2055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "AG-494-AG-592 similarity", "source_label": "AG-494", "target_label": "AG-592", "cosine_similarity": 0.3528419733047485 } }, { "source": "CID:2129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "AM-92016-vandetanib similarity", "source_label": "AM-92016", "target_label": "vandetanib", "cosine_similarity": 0.2961114346981048 } }, { "source": "CID:4497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "nimodipine-BMS-191011 similarity", "source_label": "nimodipine", "target_label": "BMS-191011", "cosine_similarity": 0.4816963076591491 } }, { "source": "CID:92974", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197835", "properties": { "id": "droxidopa-hydrastine similarity", "source_label": "droxidopa", "target_label": "hydrastine", "cosine_similarity": 0.1963889151811599 } }, { "source": "CID:10212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "imperatorin-motesanib similarity", "source_label": "imperatorin", "target_label": "motesanib", "cosine_similarity": 0.2568710148334503 } }, { "source": "CID:31404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "butylated-hydroxytoluene-proxyphylline similarity", "source_label": "butylated-hydroxytoluene", "target_label": "proxyphylline", "cosine_similarity": 0.5289739370346069 } }, { "source": "CID:54654609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "SA-1463787-TAK-715 similarity", "source_label": "SA-1463787", "target_label": "TAK-715", "cosine_similarity": 0.300771564245224 } }, { "source": "CID:128919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362119", "properties": { "id": "xaliproden-lisinopril similarity", "source_label": "xaliproden", "target_label": "lisinopril", "cosine_similarity": 0.340971291065216 } }, { "source": "CID:5311276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "L-168049-COL-3 similarity", "source_label": "L-168049", "target_label": "COL-3", "cosine_similarity": 0.3424009978771209 } }, { "source": "CID:3539719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "3-methyl-GABA-molsidomine similarity", "source_label": "3-methyl-GABA", "target_label": "molsidomine", "cosine_similarity": 0.2927630841732025 } }, { "source": "CID:60185339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-1925610-SA-96805 similarity", "source_label": "SA-1925610", "target_label": "SA-96805", "cosine_similarity": 0.2949072122573852 } }, { "source": "CID:91617630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "daprodustat-PAC-1 similarity", "source_label": "daprodustat", "target_label": "PAC-1", "cosine_similarity": 0.5727570056915283 } }, { "source": "CID:15541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "spectinomycin-Gossypetin similarity", "source_label": "spectinomycin", "target_label": "Gossypetin", "cosine_similarity": 0.2930835783481598 } }, { "source": "CID:24748204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49792852", "properties": { "id": "MK-5108-NMS-1286937 similarity", "source_label": "MK-5108", "target_label": "NMS-1286937", "cosine_similarity": 0.5502761006355286 } }, { "source": "CID:3248571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3105", "properties": { "id": "SB-258585-dipivefrine similarity", "source_label": "SB-258585", "target_label": "dipivefrine", "cosine_similarity": 0.2166742384433746 } }, { "source": "CID:24856041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46209426", "properties": { "id": "AMG-900-thiazovivin similarity", "source_label": "AMG-900", "target_label": "thiazovivin", "cosine_similarity": 0.2406261265277862 } }, { "source": "CID:54666572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4788", "properties": { "id": "SA-1921617-phloretin similarity", "source_label": "SA-1921617", "target_label": "phloretin", "cosine_similarity": 0.2205458283424377 } }, { "source": "CID:17759555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281727", "properties": { "id": "cyanoquinoline-11-pterostilbene similarity", "source_label": "cyanoquinoline-11", "target_label": "pterostilbene", "cosine_similarity": 0.5720314383506775 } }, { "source": "CID:11658860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "lorcaserin-fluvoxamine similarity", "source_label": "lorcaserin", "target_label": "fluvoxamine", "cosine_similarity": 0.5252324342727661 } }, { "source": "CID:629852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "BML-257-enrofloxacin similarity", "source_label": "BML-257", "target_label": "enrofloxacin", "cosine_similarity": 0.2235445976257324 } }, { "source": "CID:5450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "thioperamide-phenoxazine similarity", "source_label": "thioperamide", "target_label": "phenoxazine", "cosine_similarity": 0.2901923358440399 } }, { "source": "CID:2300880", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:695347", "properties": { "id": "ST-013960-ST-4039884 similarity", "source_label": "ST-013960", "target_label": "ST-4039884", "cosine_similarity": 0.2625872194766998 } }, { "source": "CID:457928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "bevirimat-dimeglumine-levocabastine similarity", "source_label": "bevirimat-dimeglumine", "target_label": "levocabastine", "cosine_similarity": 0.2974698841571808 } }, { "source": "CID:25227436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "AZD-5363-KU-0063794 similarity", "source_label": "AZD-5363", "target_label": "KU-0063794", "cosine_similarity": 0.8168144226074219 } }, { "source": "CID:45489398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154868", "properties": { "id": "VU-0415533-1-PF-750 similarity", "source_label": "VU-0415533-1", "target_label": "PF-750", "cosine_similarity": 0.2544876337051391 } }, { "source": "CID:60186973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192328", "properties": { "id": "SA-1938111-SA-1938756 similarity", "source_label": "SA-1938111", "target_label": "SA-1938756", "cosine_similarity": 0.4078101217746734 } }, { "source": "CID:5011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "quipazine-betamethasone similarity", "source_label": "quipazine", "target_label": "betamethasone", "cosine_similarity": 0.2991240322589874 } }, { "source": "CID:2868392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442128", "properties": { "id": "NECA-dihydrosamidin similarity", "source_label": "NECA", "target_label": "dihydrosamidin", "cosine_similarity": 0.3221202492713928 } }, { "source": "CID:4927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "promethazine-temozolomide similarity", "source_label": "promethazine", "target_label": "temozolomide", "cosine_similarity": 0.3364259600639343 } }, { "source": "CID:68634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33625", "properties": { "id": "oxiperomide-indoramin similarity", "source_label": "oxiperomide", "target_label": "indoramin", "cosine_similarity": 0.3868090212345123 } }, { "source": "CID:5368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "T-0156-chlorpyrifos similarity", "source_label": "T-0156", "target_label": "chlorpyrifos", "cosine_similarity": 0.5255495309829712 } }, { "source": "CID:4698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3762", "properties": { "id": "PCA-4248-isoetharine similarity", "source_label": "PCA-4248", "target_label": "isoetharine", "cosine_similarity": 0.2352766394615173 } }, { "source": "CID:70680411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680405", "properties": { "id": "AT1-SHH-29-MW-SHH-151 similarity", "source_label": "AT1-SHH-29", "target_label": "MW-SHH-151", "cosine_similarity": 0.3456275463104248 } }, { "source": "CID:3342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40469854", "properties": { "id": "fenoprofen-flumethasone similarity", "source_label": "fenoprofen", "target_label": "flumethasone", "cosine_similarity": 0.2615599334239959 } }, { "source": "CID:6435415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1126109", "properties": { "id": "cilastatin-JX-401 similarity", "source_label": "cilastatin", "target_label": "JX-401", "cosine_similarity": 0.3204322457313537 } }, { "source": "CID:54657737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500308", "properties": { "id": "SA-1457769-SA-243193 similarity", "source_label": "SA-1457769", "target_label": "SA-243193", "cosine_similarity": 0.2213717550039291 } }, { "source": "CID:44143772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "UTMB-00530-ARG-CSC-81 similarity", "source_label": "UTMB-00530", "target_label": "ARG-CSC-81", "cosine_similarity": 0.2681388854980469 } }, { "source": "CID:3036864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "SCH-23390-darinaparsin similarity", "source_label": "SCH-23390", "target_label": "darinaparsin", "cosine_similarity": 0.3193103075027466 } }, { "source": "CID:667550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "dexketoprofen-NNC-55-0396 similarity", "source_label": "dexketoprofen", "target_label": "NNC-55-0396", "cosine_similarity": 0.3105321228504181 } }, { "source": "CID:7184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "butylparaben-ropinirole similarity", "source_label": "butylparaben", "target_label": "ropinirole", "cosine_similarity": 0.1931676417589187 } }, { "source": "CID:44483298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "methylprednisolone-clobetasol similarity", "source_label": "methylprednisolone", "target_label": "clobetasol", "cosine_similarity": 0.7027755379676819 } }, { "source": "CID:68802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "pirlindole-fluvoxamine similarity", "source_label": "pirlindole", "target_label": "fluvoxamine", "cosine_similarity": 0.2835147678852081 } }, { "source": "CID:896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "melatonin-DL-TBOA similarity", "source_label": "melatonin", "target_label": "DL-TBOA", "cosine_similarity": 0.4332078099250793 } }, { "source": "CID:5803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759169", "properties": { "id": "tiratricol-ACDPP similarity", "source_label": "tiratricol", "target_label": "ACDPP", "cosine_similarity": 0.2399846762418747 } }, { "source": "CID:9926791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "tofacitinib-amikacin similarity", "source_label": "tofacitinib", "target_label": "amikacin", "cosine_similarity": 0.6728289723396301 } }, { "source": "CID:4514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "nizofenone-tiapride similarity", "source_label": "nizofenone", "target_label": "tiapride", "cosine_similarity": 0.3743990957736969 } }, { "source": "CID:51173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5450", "properties": { "id": "flurofamide-thioperamide similarity", "source_label": "flurofamide", "target_label": "thioperamide", "cosine_similarity": 0.3048056066036224 } }, { "source": "CID:54654609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "SA-1463787-TUL-XX025TFA similarity", "source_label": "SA-1463787", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2902232408523559 } }, { "source": "CID:4314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82148", "properties": { "id": "W-5-agomelatine similarity", "source_label": "W-5", "target_label": "agomelatine", "cosine_similarity": 0.2744039297103882 } }, { "source": "CID:44828476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505769", "properties": { "id": "KU-C104545N-SA-418267 similarity", "source_label": "KU-C104545N", "target_label": "SA-418267", "cosine_similarity": 0.192397341132164 } }, { "source": "CID:600670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "lomatin-JAS07-006 similarity", "source_label": "lomatin", "target_label": "JAS07-006", "cosine_similarity": 0.4202789962291717 } }, { "source": "CID:108001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "dihydroxyphenylglycine-idelalisib similarity", "source_label": "dihydroxyphenylglycine", "target_label": "idelalisib", "cosine_similarity": 0.3198706805706024 } }, { "source": "CID:3292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3059", "properties": { "id": "ethotoin-diflunisal similarity", "source_label": "ethotoin", "target_label": "diflunisal", "cosine_similarity": 0.267022043466568 } }, { "source": "CID:3132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "thiorphan-MW-MITF28 similarity", "source_label": "thiorphan", "target_label": "MW-MITF28", "cosine_similarity": 0.2930183410644531 } }, { "source": "CID:2377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "bifemelane-tazobactam similarity", "source_label": "bifemelane", "target_label": "tazobactam", "cosine_similarity": 0.5070708990097046 } }, { "source": "CID:2933863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2630179", "properties": { "id": "KU-C103875-EMF-sumo1-12 similarity", "source_label": "KU-C103875", "target_label": "EMF-sumo1-12", "cosine_similarity": 0.2379200756549835 } }, { "source": "CID:1893730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "XL-147-gossypol similarity", "source_label": "XL-147", "target_label": "gossypol", "cosine_similarity": 0.2835536003112793 } }, { "source": "CID:459617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "IOX-1-salicyl-alcohol similarity", "source_label": "IOX-1", "target_label": "salicyl-alcohol", "cosine_similarity": 0.2575052082538605 } }, { "source": "CID:6918508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "BIBX-1382-ibrutinib similarity", "source_label": "BIBX-1382", "target_label": "ibrutinib", "cosine_similarity": 0.4610790312290191 } }, { "source": "CID:22752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9961192", "properties": { "id": "lobendazole-L-161982 similarity", "source_label": "lobendazole", "target_label": "L-161982", "cosine_similarity": 0.2320797890424728 } }, { "source": "CID:44505490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "SA-419172-lenalidomide similarity", "source_label": "SA-419172", "target_label": "lenalidomide", "cosine_similarity": 0.3730512261390686 } }, { "source": "CID:44493156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659817", "properties": { "id": "SA-83851-SA-1460032 similarity", "source_label": "SA-83851", "target_label": "SA-1460032", "cosine_similarity": 0.2289834320545196 } }, { "source": "CID:16133851", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441314", "properties": { "id": "triptorelin-miglitol similarity", "source_label": "triptorelin", "target_label": "miglitol", "cosine_similarity": 0.312310129404068 } }, { "source": "CID:6708762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "periplocymarin-digitoxigenin similarity", "source_label": "periplocymarin", "target_label": "digitoxigenin", "cosine_similarity": 0.8880289196968079 } }, { "source": "CID:445319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "S-isopropylisothiourea-dichlorophen similarity", "source_label": "S-isopropylisothiourea", "target_label": "dichlorophen", "cosine_similarity": 0.5062457919120789 } }, { "source": "CID:9953592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "naltrindole-promazine similarity", "source_label": "naltrindole", "target_label": "promazine", "cosine_similarity": 0.2936737835407257 } }, { "source": "CID:5319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "sulfabenzamide-APO-866 similarity", "source_label": "sulfabenzamide", "target_label": "APO-866", "cosine_similarity": 0.3570442497730255 } }, { "source": "CID:107950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "CL-218872-S-18986 similarity", "source_label": "CL-218872", "target_label": "S-18986", "cosine_similarity": 0.375322014093399 } }, { "source": "CID:2113511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "T-5345967-serotonin similarity", "source_label": "T-5345967", "target_label": "serotonin", "cosine_similarity": 0.504828691482544 } }, { "source": "CID:46244454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "AZ-20-AZD-8055 similarity", "source_label": "AZ-20", "target_label": "AZD-8055", "cosine_similarity": 0.6252695918083191 } }, { "source": "CID:17534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1282817", "properties": { "id": "6-aminochrysene-KUC104240N similarity", "source_label": "6-aminochrysene", "target_label": "KUC104240N", "cosine_similarity": 0.2223245501518249 } }, { "source": "CID:9953599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133633", "properties": { "id": "GR-159897-L-741626 similarity", "source_label": "GR-159897", "target_label": "L-741626", "cosine_similarity": 0.3517643511295318 } }, { "source": "CID:68844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "brinzolamide-Gly-Gly-PALO similarity", "source_label": "brinzolamide", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2863738536834717 } }, { "source": "CID:65997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11438771", "properties": { "id": "lerisetron-basimglurant similarity", "source_label": "lerisetron", "target_label": "basimglurant", "cosine_similarity": 0.4068370759487152 } }, { "source": "CID:135440466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3973", "properties": { "id": "BMS-536924-LY-294002 similarity", "source_label": "BMS-536924", "target_label": "LY-294002", "cosine_similarity": 0.5901411771774292 } }, { "source": "CID:10113978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "pazopanib-vemurafenib similarity", "source_label": "pazopanib", "target_label": "vemurafenib", "cosine_similarity": 0.5384274125099182 } }, { "source": "CID:73707504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "etiocholanolone-labetalol similarity", "source_label": "etiocholanolone", "target_label": "labetalol", "cosine_similarity": 0.185204416513443 } }, { "source": "CID:91486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11219835", "properties": { "id": "safingol-ataluren similarity", "source_label": "safingol", "target_label": "ataluren", "cosine_similarity": 0.4011624455451965 } }, { "source": "CID:54658215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658741", "properties": { "id": "SA-1457103-SA-1459187 similarity", "source_label": "SA-1457103", "target_label": "SA-1459187", "cosine_similarity": 0.2748477458953857 } }, { "source": "CID:9915743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "neratinib-ponatinib similarity", "source_label": "neratinib", "target_label": "ponatinib", "cosine_similarity": 0.660050630569458 } }, { "source": "CID:6857791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "sappanone-a-EMF-sumo1-39 similarity", "source_label": "sappanone-a", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4390272200107574 } }, { "source": "CID:821257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "RAN-14A-FTI-276 similarity", "source_label": "RAN-14A", "target_label": "FTI-276", "cosine_similarity": 0.309129923582077 } }, { "source": "CID:11493598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "FR-180204-hydroxyurea similarity", "source_label": "FR-180204", "target_label": "hydroxyurea", "cosine_similarity": 0.3521952629089355 } }, { "source": "CID:9951687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "methyl-fasudil-TUL_XX087 similarity", "source_label": "methyl-fasudil", "target_label": "TUL_XX087", "cosine_similarity": 0.7098034024238586 } }, { "source": "CID:44602406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64981", "properties": { "id": "KU-C104131-arctigenin similarity", "source_label": "KU-C104131", "target_label": "arctigenin", "cosine_similarity": 0.2248877882957458 } }, { "source": "CID:4760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43231", "properties": { "id": "phenindione-clorsulon similarity", "source_label": "phenindione", "target_label": "clorsulon", "cosine_similarity": 0.2500477731227875 } }, { "source": "CID:4380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5491", "properties": { "id": "clorgiline-tetramethylsilane similarity", "source_label": "clorgiline", "target_label": "tetramethylsilane", "cosine_similarity": 0.1675885766744613 } }, { "source": "CID:641785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44818131", "properties": { "id": "cardamonin-diaminoquinazoline similarity", "source_label": "cardamonin", "target_label": "diaminoquinazoline", "cosine_similarity": 0.289150059223175 } }, { "source": "CID:70680398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "MW-SHH-97-PRIMA1 similarity", "source_label": "MW-SHH-97", "target_label": "PRIMA1", "cosine_similarity": 0.2903760373592376 } }, { "source": "CID:3009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60953", "properties": { "id": "eflornithine-capecitabine similarity", "source_label": "eflornithine", "target_label": "capecitabine", "cosine_similarity": 0.2461452782154083 } }, { "source": "CID:658169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "ST-4028268-amikacin similarity", "source_label": "ST-4028268", "target_label": "amikacin", "cosine_similarity": 0.4421691596508026 } }, { "source": "CID:5329099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "orantinib-bucladesine similarity", "source_label": "orantinib", "target_label": "bucladesine", "cosine_similarity": 0.4080117642879486 } }, { "source": "CID:51001932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "taselisib-AZD-8055 similarity", "source_label": "taselisib", "target_label": "AZD-8055", "cosine_similarity": 0.7941793203353882 } }, { "source": "CID:896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "melatonin-alpha-tocopherol similarity", "source_label": "melatonin", "target_label": "alpha-tocopherol", "cosine_similarity": 0.3949244618415832 } }, { "source": "CID:46213929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "LY-2784544-disopyramide similarity", "source_label": "LY-2784544", "target_label": "disopyramide", "cosine_similarity": 0.441537469625473 } }, { "source": "CID:126388", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "BD-1008-fdcyd similarity", "source_label": "BD-1008", "target_label": "fdcyd", "cosine_similarity": 0.3101576864719391 } }, { "source": "CID:1548076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "STK-721917-FTI-276 similarity", "source_label": "STK-721917", "target_label": "FTI-276", "cosine_similarity": 0.2484623938798904 } }, { "source": "CID:40532410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6560164", "properties": { "id": "chlormadinone-azlocillin similarity", "source_label": "chlormadinone", "target_label": "azlocillin", "cosine_similarity": 0.2624682188034057 } }, { "source": "CID:24747193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "JAS07-005-PSH-024 similarity", "source_label": "JAS07-005", "target_label": "PSH-024", "cosine_similarity": 0.3079615235328674 } }, { "source": "CID:3683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71183", "properties": { "id": "ICI-204448-methscopolamine similarity", "source_label": "ICI-204448", "target_label": "methscopolamine", "cosine_similarity": 0.3458648920059204 } }, { "source": "CID:107905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "epicatechin-pepstatin similarity", "source_label": "epicatechin", "target_label": "pepstatin", "cosine_similarity": 0.4429637491703033 } }, { "source": "CID:25105713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "VU-0155069-thioridazine similarity", "source_label": "VU-0155069", "target_label": "thioridazine", "cosine_similarity": 0.5726276636123657 } }, { "source": "CID:16102146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "O-2050-tetrahydrouridine similarity", "source_label": "O-2050", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4115416407585144 } }, { "source": "CID:9849616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122718", "properties": { "id": "SR-147778-usnic-acid similarity", "source_label": "SR-147778", "target_label": "usnic-acid", "cosine_similarity": 0.2166758328676223 } }, { "source": "CID:5281078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "mycophenolate-mofetil-gemcitabine similarity", "source_label": "mycophenolate-mofetil", "target_label": "gemcitabine", "cosine_similarity": 0.5598461627960205 } }, { "source": "CID:5286239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "MW-MITF28-darinaparsin similarity", "source_label": "MW-MITF28", "target_label": "darinaparsin", "cosine_similarity": 0.408980131149292 } }, { "source": "CID:44491516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666542", "properties": { "id": "SA-432137-SA-1922006 similarity", "source_label": "SA-432137", "target_label": "SA-1922006", "cosine_similarity": 0.2456975132226944 } }, { "source": "CID:49850262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53340666", "properties": { "id": "tubastatin-a-ACY-1215 similarity", "source_label": "tubastatin-a", "target_label": "ACY-1215", "cosine_similarity": 0.2707135081291199 } }, { "source": "CID:2375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "bicalutamide-brivanib similarity", "source_label": "bicalutamide", "target_label": "brivanib", "cosine_similarity": 0.5296487212181091 } }, { "source": "CID:4917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "prochlorperazine-promazine similarity", "source_label": "prochlorperazine", "target_label": "promazine", "cosine_similarity": 0.396105021238327 } }, { "source": "CID:4595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ondansetron-anandamide similarity", "source_label": "ondansetron", "target_label": "anandamide", "cosine_similarity": 0.3508848249912262 } }, { "source": "CID:5280360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "dinoprostone-rolipram similarity", "source_label": "dinoprostone", "target_label": "rolipram", "cosine_similarity": 0.3791942894458771 } }, { "source": "CID:129010088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "bilobalide-LFM-A13 similarity", "source_label": "bilobalide", "target_label": "LFM-A13", "cosine_similarity": 0.2636668384075165 } }, { "source": "CID:3646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708716", "properties": { "id": "hydrocotarnine-catechin similarity", "source_label": "hydrocotarnine", "target_label": "catechin", "cosine_similarity": 0.3680979907512665 } }, { "source": "CID:3454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54671008", "properties": { "id": "ganciclovir-raltegravir similarity", "source_label": "ganciclovir", "target_label": "raltegravir", "cosine_similarity": 0.2848207652568817 } }, { "source": "CID:81423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4029677", "properties": { "id": "aminoindazole-CP-94253 similarity", "source_label": "aminoindazole", "target_label": "CP-94253", "cosine_similarity": 0.2045619487762451 } }, { "source": "CID:9934347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "NVP-TAE226-AZD-5363 similarity", "source_label": "NVP-TAE226", "target_label": "AZD-5363", "cosine_similarity": 0.5707117319107056 } }, { "source": "CID:56846693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "CEP-32496-oxatomide similarity", "source_label": "CEP-32496", "target_label": "oxatomide", "cosine_similarity": 0.3788699805736542 } }, { "source": "CID:11615393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "telmesteine-fluconazole similarity", "source_label": "telmesteine", "target_label": "fluconazole", "cosine_similarity": 0.319070965051651 } }, { "source": "CID:253078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "GANT-58-fumonisin-b1 similarity", "source_label": "GANT-58", "target_label": "fumonisin-b1", "cosine_similarity": 0.3505940735340118 } }, { "source": "CID:5994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5865", "properties": { "id": "progesterone-prednisone similarity", "source_label": "progesterone", "target_label": "prednisone", "cosine_similarity": 0.3414875268936157 } }, { "source": "CID:49843139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-433965-SA-1460008 similarity", "source_label": "SA-433965", "target_label": "SA-1460008", "cosine_similarity": 0.3145757913589477 } }, { "source": "CID:6280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3519541", "properties": { "id": "veratridine-CGP-13501 similarity", "source_label": "veratridine", "target_label": "CGP-13501", "cosine_similarity": 0.2218779921531677 } }, { "source": "CID:73707561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4581", "properties": { "id": "desmethyl-DASB-octopamine similarity", "source_label": "desmethyl-DASB", "target_label": "octopamine", "cosine_similarity": 0.1817235052585601 } }, { "source": "CID:129010074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "batimastat-pritelivir similarity", "source_label": "batimastat", "target_label": "pritelivir", "cosine_similarity": 0.382871001958847 } }, { "source": "CID:5312114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "CGP-71683-suloctidil similarity", "source_label": "CGP-71683", "target_label": "suloctidil", "cosine_similarity": 0.7399866580963135 } }, { "source": "CID:44634697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "kitasamycin-thiotepa similarity", "source_label": "kitasamycin", "target_label": "thiotepa", "cosine_similarity": 0.208195760846138 } }, { "source": "CID:13186954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593869", "properties": { "id": "KU-C103656-KU-C103884 similarity", "source_label": "KU-C103656", "target_label": "KU-C103884", "cosine_similarity": 0.3833690583705902 } }, { "source": "CID:51003716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "CVF-SUMO-11-EMF-bca1-16 similarity", "source_label": "CVF-SUMO-11", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7916389107704163 } }, { "source": "CID:4644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "oxypurinol-camptothecin similarity", "source_label": "oxypurinol", "target_label": "camptothecin", "cosine_similarity": 0.4522837698459625 } }, { "source": "CID:3401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "flutrimazole-aminoglutethimide similarity", "source_label": "flutrimazole", "target_label": "aminoglutethimide", "cosine_similarity": 0.3546395301818847 } }, { "source": "CID:12560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "erythromycin-vinpocetine similarity", "source_label": "erythromycin", "target_label": "vinpocetine", "cosine_similarity": 0.3679592609405517 } }, { "source": "CID:16678941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "VX-809-CGS-20625 similarity", "source_label": "VX-809", "target_label": "CGS-20625", "cosine_similarity": 0.4681165218353271 } }, { "source": "CID:3590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483939", "properties": { "id": "heptaminol-SA-1944378 similarity", "source_label": "heptaminol", "target_label": "SA-1944378", "cosine_similarity": 0.1813586205244064 } }, { "source": "CID:3559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "haloperidol-UNC-0638 similarity", "source_label": "haloperidol", "target_label": "UNC-0638", "cosine_similarity": 0.4971457421779632 } }, { "source": "CID:54614981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "SA-426799-SA-84512 similarity", "source_label": "SA-426799", "target_label": "SA-84512", "cosine_similarity": 0.2224149256944656 } }, { "source": "CID:2968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56052", "properties": { "id": "decamethonium-ractopamine similarity", "source_label": "decamethonium", "target_label": "ractopamine", "cosine_similarity": 0.1407382786273956 } }, { "source": "CID:44484225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6834", "properties": { "id": "SA-90030-brompheniramine similarity", "source_label": "SA-90030", "target_label": "brompheniramine", "cosine_similarity": 0.2989090085029602 } }, { "source": "CID:10288191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "MEK-162-TAK-733 similarity", "source_label": "MEK-162", "target_label": "TAK-733", "cosine_similarity": 0.8071167469024658 } }, { "source": "CID:2453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "broxyquinoline-ajmaline similarity", "source_label": "broxyquinoline", "target_label": "ajmaline", "cosine_similarity": 0.4739631414413452 } }, { "source": "CID:6918638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "belinostat-JNJ-26481585 similarity", "source_label": "belinostat", "target_label": "JNJ-26481585", "cosine_similarity": 0.7815457582473755 } }, { "source": "CID:5014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "QX-222-leu-enkephalin similarity", "source_label": "QX-222", "target_label": "leu-enkephalin", "cosine_similarity": 0.2309248447418213 } }, { "source": "CID:15983966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448013", "properties": { "id": "GSK-461364-epothilone similarity", "source_label": "GSK-461364", "target_label": "epothilone", "cosine_similarity": 0.6803353428840637 } }, { "source": "CID:24785538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "BMS-754807-wortmannin similarity", "source_label": "BMS-754807", "target_label": "wortmannin", "cosine_similarity": 0.6267130374908447 } }, { "source": "CID:442894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "desoxypeganine-tasquinimod similarity", "source_label": "desoxypeganine", "target_label": "tasquinimod", "cosine_similarity": 0.4243184924125671 } }, { "source": "CID:135564558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "PF-04447943-acetazolamide similarity", "source_label": "PF-04447943", "target_label": "acetazolamide", "cosine_similarity": 0.3104700744152069 } }, { "source": "CID:54660437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659352", "properties": { "id": "SA-1459714-SA-1455884 similarity", "source_label": "SA-1459714", "target_label": "SA-1455884", "cosine_similarity": 0.3665821850299835 } }, { "source": "CID:25025298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "telotristat-desoxypeganine similarity", "source_label": "telotristat", "target_label": "desoxypeganine", "cosine_similarity": 0.2911413908004761 } }, { "source": "CID:10171544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "zaprinast-tafamidis-meglumine similarity", "source_label": "zaprinast", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.3602322041988373 } }, { "source": "CID:3763775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "MW-MITF22-TUL_XIX003 similarity", "source_label": "MW-MITF22", "target_label": "TUL_XIX003", "cosine_similarity": 0.364616721868515 } }, { "source": "CID:135470813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "MW-STK33-2C-quinethazone similarity", "source_label": "MW-STK33-2C", "target_label": "quinethazone", "cosine_similarity": 0.2693502902984619 } }, { "source": "CID:60490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "zileuton-JZL-184 similarity", "source_label": "zileuton", "target_label": "JZL-184", "cosine_similarity": 0.4258727729320526 } }, { "source": "CID:25226483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24748573", "properties": { "id": "HG-5-113-01-CX-4945 similarity", "source_label": "HG-5-113-01", "target_label": "CX-4945", "cosine_similarity": 0.2938821315765381 } }, { "source": "CID:73707613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "THZ-2-98-01-CHIR-99021 similarity", "source_label": "THZ-2-98-01", "target_label": "CHIR-99021", "cosine_similarity": 0.5988873839378357 } }, { "source": "CID:5910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "pilocarpine-GDC-0199 similarity", "source_label": "pilocarpine", "target_label": "GDC-0199", "cosine_similarity": 0.3803269267082214 } }, { "source": "CID:107807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53465279", "properties": { "id": "perindopril-lesinurad similarity", "source_label": "perindopril", "target_label": "lesinurad", "cosine_similarity": 0.4593256115913391 } }, { "source": "CID:4421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "nalidixic-acid-cholic-acid similarity", "source_label": "nalidixic-acid", "target_label": "cholic-acid", "cosine_similarity": 0.2932795584201813 } }, { "source": "CID:4421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8480", "properties": { "id": "nalidixic-acid-carbarsone similarity", "source_label": "nalidixic-acid", "target_label": "carbarsone", "cosine_similarity": 0.3413388133049011 } }, { "source": "CID:5475158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "cinanserin-mesoridazine similarity", "source_label": "cinanserin", "target_label": "mesoridazine", "cosine_similarity": 0.2525507807731628 } }, { "source": "CID:44489454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657728", "properties": { "id": "SA-84902-SA-1459224 similarity", "source_label": "SA-84902", "target_label": "SA-1459224", "cosine_similarity": 0.306302011013031 } }, { "source": "CID:3949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "lomerizine-fluvoxamine similarity", "source_label": "lomerizine", "target_label": "fluvoxamine", "cosine_similarity": 0.4235532283782959 } }, { "source": "CID:5281051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "hypericin-disopyramide similarity", "source_label": "hypericin", "target_label": "disopyramide", "cosine_similarity": 0.5191107988357544 } }, { "source": "CID:892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "inositol-amikacin similarity", "source_label": "inositol", "target_label": "amikacin", "cosine_similarity": 0.7839304208755493 } }, { "source": "CID:72947407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "MD-049-thiostrepton similarity", "source_label": "MD-049", "target_label": "thiostrepton", "cosine_similarity": 0.745631754398346 } }, { "source": "CID:3410883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44511091", "properties": { "id": "BU-226-formestane similarity", "source_label": "BU-226", "target_label": "formestane", "cosine_similarity": 0.2508783042430877 } }, { "source": "CID:5391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2196", "properties": { "id": "temazepam-aniracetam similarity", "source_label": "temazepam", "target_label": "aniracetam", "cosine_similarity": 0.2192600965499878 } }, { "source": "CID:5878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "oxandrolone-meglitinide similarity", "source_label": "oxandrolone", "target_label": "meglitinide", "cosine_similarity": 0.2821522951126098 } }, { "source": "CID:16722836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11964036", "properties": { "id": "TG-101348-KU-0060648 similarity", "source_label": "TG-101348", "target_label": "KU-0060648", "cosine_similarity": 0.6574183702468872 } }, { "source": "CID:515709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "phenylalanyltyrosine-Gly-Gly-PALO similarity", "source_label": "phenylalanyltyrosine", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2452826350927353 } }, { "source": "CID:10071196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107967", "properties": { "id": "pimavanserin-FK-888 similarity", "source_label": "pimavanserin", "target_label": "FK-888", "cosine_similarity": 0.5079953670501709 } }, { "source": "CID:5311128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "goserelin-acetate-cromoglicic-acid similarity", "source_label": "goserelin-acetate", "target_label": "cromoglicic-acid", "cosine_similarity": 0.2837312817573547 } }, { "source": "CID:73707534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133538", "properties": { "id": "KDM-103-SKF-83959 similarity", "source_label": "KDM-103", "target_label": "SKF-83959", "cosine_similarity": 0.2851237058639526 } }, { "source": "CID:11538455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "JNJ-26481585-vorinostat similarity", "source_label": "JNJ-26481585", "target_label": "vorinostat", "cosine_similarity": 0.9004711508750916 } }, { "source": "CID:6481236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115193", "properties": { "id": "PSI-6130-isofloxythepin similarity", "source_label": "PSI-6130", "target_label": "isofloxythepin", "cosine_similarity": 0.5958413481712341 } }, { "source": "CID:3333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "felodipine-aliskiren similarity", "source_label": "felodipine", "target_label": "aliskiren", "cosine_similarity": 0.6362264156341553 } }, { "source": "CID:6001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "DMBA-camptothecin similarity", "source_label": "DMBA", "target_label": "camptothecin", "cosine_similarity": 0.2687143981456756 } }, { "source": "CID:5268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4296", "properties": { "id": "spiroxatrine-TFMPP similarity", "source_label": "spiroxatrine", "target_label": "TFMPP", "cosine_similarity": 0.2527424991130829 } }, { "source": "CID:44507307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-247654-SA-434027 similarity", "source_label": "SA-247654", "target_label": "SA-434027", "cosine_similarity": 0.2741924822330475 } }, { "source": "CID:44601476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "KU-C103904N-SA-1921456 similarity", "source_label": "KU-C103904N", "target_label": "SA-1921456", "cosine_similarity": 0.3073284327983856 } }, { "source": "CID:44483817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "SA-102096-ARG-CSC-91 similarity", "source_label": "SA-102096", "target_label": "ARG-CSC-91", "cosine_similarity": 0.291059136390686 } }, { "source": "CID:5537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "trequinsin-roflumilast similarity", "source_label": "trequinsin", "target_label": "roflumilast", "cosine_similarity": 0.2303634136915207 } }, { "source": "CID:5143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "saccharin-disopyramide similarity", "source_label": "saccharin", "target_label": "disopyramide", "cosine_similarity": 0.2795837223529815 } }, { "source": "CID:5337366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "SA-25547-I-606051 similarity", "source_label": "SA-25547", "target_label": "I-606051", "cosine_similarity": 0.7007916569709778 } }, { "source": "CID:5288149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281104", "properties": { "id": "seocalcitol-paricalcitol similarity", "source_label": "seocalcitol", "target_label": "paricalcitol", "cosine_similarity": 0.3817041516304016 } }, { "source": "CID:6708558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "haematoxylin-pentaacetate-sarcosine similarity", "source_label": "haematoxylin-pentaacetate", "target_label": "sarcosine", "cosine_similarity": 0.2501733303070068 } }, { "source": "CID:44486991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "SA-424577-lasalocid similarity", "source_label": "SA-424577", "target_label": "lasalocid", "cosine_similarity": 0.3487680852413177 } }, { "source": "CID:6000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "tubocurarine-LY-255283 similarity", "source_label": "tubocurarine", "target_label": "LY-255283", "cosine_similarity": 0.3377984166145324 } }, { "source": "CID:132496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "FGIN-1-27-amisulpride similarity", "source_label": "FGIN-1-27", "target_label": "amisulpride", "cosine_similarity": 0.3188146948814392 } }, { "source": "CID:442009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "carnosol-SA-792709 similarity", "source_label": "carnosol", "target_label": "SA-792709", "cosine_similarity": 0.3331410884857178 } }, { "source": "CID:2159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "amisulpride-BMS-641988 similarity", "source_label": "amisulpride", "target_label": "BMS-641988", "cosine_similarity": 0.5737142562866211 } }, { "source": "CID:10286159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "erteberel-nemonapride similarity", "source_label": "erteberel", "target_label": "nemonapride", "cosine_similarity": 0.4324332773685455 } }, { "source": "CID:123692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5681", "properties": { "id": "CS-110266-W-7 similarity", "source_label": "CS-110266", "target_label": "W-7", "cosine_similarity": 0.2320417612791061 } }, { "source": "CID:73438899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21785456", "properties": { "id": "BOX-5-KU-C103869 similarity", "source_label": "BOX-5", "target_label": "KU-C103869", "cosine_similarity": 0.2062075734138488 } }, { "source": "CID:2442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "bromhexine-AR-A014418 similarity", "source_label": "bromhexine", "target_label": "AR-A014418", "cosine_similarity": 0.3002816140651703 } }, { "source": "CID:115355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "nitisinone-gimeracil similarity", "source_label": "nitisinone", "target_label": "gimeracil", "cosine_similarity": 0.3257342875003814 } }, { "source": "CID:5288382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "geldanamycin-NVP-AUY922 similarity", "source_label": "geldanamycin", "target_label": "NVP-AUY922", "cosine_similarity": 0.876025915145874 } }, { "source": "CID:24066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "zalcitabine-VX-745 similarity", "source_label": "zalcitabine", "target_label": "VX-745", "cosine_similarity": 0.3322516977787018 } }, { "source": "CID:104842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "SN-38-topotecan similarity", "source_label": "SN-38", "target_label": "topotecan", "cosine_similarity": 0.8601190447807312 } }, { "source": "CID:71203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54585", "properties": { "id": "vinburnine-balsalazide similarity", "source_label": "vinburnine", "target_label": "balsalazide", "cosine_similarity": 0.497092455625534 } }, { "source": "CID:161566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "vanillyl-glycol-NSC-663284 similarity", "source_label": "vanillyl-glycol", "target_label": "NSC-663284", "cosine_similarity": 0.1570852547883987 } }, { "source": "CID:53025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "cefotetan-lamivudine similarity", "source_label": "cefotetan", "target_label": "lamivudine", "cosine_similarity": 0.3168124258518219 } }, { "source": "CID:44591583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561674", "properties": { "id": "AN-2728-apremilast similarity", "source_label": "AN-2728", "target_label": "apremilast", "cosine_similarity": 0.1742191314697265 } }, { "source": "CID:3478439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "fulvestrant-raloxifene similarity", "source_label": "fulvestrant", "target_label": "raloxifene", "cosine_similarity": 0.2945371568202972 } }, { "source": "CID:5070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "riluzole-lamotrigine similarity", "source_label": "riluzole", "target_label": "lamotrigine", "cosine_similarity": 0.5105000734329224 } }, { "source": "CID:44640176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "KU-C104493-salermide similarity", "source_label": "KU-C104493", "target_label": "salermide", "cosine_similarity": 0.4626426100730896 } }, { "source": "CID:456201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034010", "properties": { "id": "ketoconazole-orlistat similarity", "source_label": "ketoconazole", "target_label": "orlistat", "cosine_similarity": 0.2663531899452209 } }, { "source": "CID:25419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6082", "properties": { "id": "clodronic-acid-methoxamine similarity", "source_label": "clodronic-acid", "target_label": "methoxamine", "cosine_similarity": 0.2703147232532501 } }, { "source": "CID:1510378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602374", "properties": { "id": "KU-C103671-KU-C104122 similarity", "source_label": "KU-C103671", "target_label": "KU-C104122", "cosine_similarity": 0.2677382230758667 } }, { "source": "CID:5361092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "butorphanol-(+)-tartrate-zaprinast similarity", "source_label": "butorphanol-(+)-tartrate", "target_label": "zaprinast", "cosine_similarity": 0.17244353890419 } }, { "source": "CID:2327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "benserazide-SA-441412 similarity", "source_label": "benserazide", "target_label": "SA-441412", "cosine_similarity": 0.2556153237819671 } }, { "source": "CID:56599306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59473233", "properties": { "id": "pilaralisib-GS-9973 similarity", "source_label": "pilaralisib", "target_label": "GS-9973", "cosine_similarity": 0.4683224856853485 } }, { "source": "CID:60185339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-1925610-SA-97378 similarity", "source_label": "SA-1925610", "target_label": "SA-97378", "cosine_similarity": 0.4277909696102142 } }, { "source": "CID:131747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649154", "properties": { "id": "SR-57227A-tegobuvir similarity", "source_label": "SR-57227A", "target_label": "tegobuvir", "cosine_similarity": 0.3606026768684387 } }, { "source": "CID:5281912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "prostaglandin-a1-FTI-276 similarity", "source_label": "prostaglandin-a1", "target_label": "FTI-276", "cosine_similarity": 0.3318321406841278 } }, { "source": "CID:54666590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-1922959-SA-103013 similarity", "source_label": "SA-1922959", "target_label": "SA-103013", "cosine_similarity": 0.2736793160438537 } }, { "source": "CID:7029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444", "properties": { "id": "amfepramone-bupropion similarity", "source_label": "amfepramone", "target_label": "bupropion", "cosine_similarity": 0.2791453003883362 } }, { "source": "CID:9872438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "SSR-69071-EMF-sumo1-11 similarity", "source_label": "SSR-69071", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5961663126945496 } }, { "source": "CID:46199207", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "stemregenin-1-dabrafenib similarity", "source_label": "stemregenin-1", "target_label": "dabrafenib", "cosine_similarity": 0.3531573712825775 } }, { "source": "CID:11249248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "BMS-299897-lersivirine similarity", "source_label": "BMS-299897", "target_label": "lersivirine", "cosine_similarity": 0.3503844439983368 } }, { "source": "CID:259329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "estramustine-phosphate-dinoprost similarity", "source_label": "estramustine-phosphate", "target_label": "dinoprost", "cosine_similarity": 0.4832587838172912 } }, { "source": "CID:216235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "sitaxentan-loxoprofen similarity", "source_label": "sitaxentan", "target_label": "loxoprofen", "cosine_similarity": 0.1570767164230346 } }, { "source": "CID:46843648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "NPK76-II-72-1-lorazepam similarity", "source_label": "NPK76-II-72-1", "target_label": "lorazepam", "cosine_similarity": 0.3978483080863952 } }, { "source": "CID:11222830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10366136", "properties": { "id": "WP-1130-crenolanib similarity", "source_label": "WP-1130", "target_label": "crenolanib", "cosine_similarity": 0.2486998885869979 } }, { "source": "CID:44490224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-101841-SA-1459173 similarity", "source_label": "SA-101841", "target_label": "SA-1459173", "cosine_similarity": 0.3311917781829834 } }, { "source": "CID:44112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4633", "properties": { "id": "bopindolol-oxybuprocaine similarity", "source_label": "bopindolol", "target_label": "oxybuprocaine", "cosine_similarity": 0.3674402832984924 } }, { "source": "CID:42008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49871818", "properties": { "id": "cefmetazole-JQ-1-R similarity", "source_label": "cefmetazole", "target_label": "JQ-1-R", "cosine_similarity": 0.1918424665927887 } }, { "source": "CID:444008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "tibolone-dideoxyadenosine similarity", "source_label": "tibolone", "target_label": "dideoxyadenosine", "cosine_similarity": 0.4392914772033691 } }, { "source": "CID:17134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2478", "properties": { "id": "sulfadoxine-busulfan similarity", "source_label": "sulfadoxine", "target_label": "busulfan", "cosine_similarity": 0.3290053904056549 } }, { "source": "CID:44497312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "SD-6-035-B3-darinaparsin similarity", "source_label": "SD-6-035-B3", "target_label": "darinaparsin", "cosine_similarity": 0.217683732509613 } }, { "source": "CID:11524144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11338033", "properties": { "id": "dorsomorphin-AT-7519 similarity", "source_label": "dorsomorphin", "target_label": "AT-7519", "cosine_similarity": 0.4979337155818939 } }, { "source": "CID:3658", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "hydroxyzine-pipenzolate similarity", "source_label": "hydroxyzine", "target_label": "pipenzolate", "cosine_similarity": 0.5351241827011108 } }, { "source": "CID:1258678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "ST-014075-7-nitroindazole similarity", "source_label": "ST-014075", "target_label": "7-nitroindazole", "cosine_similarity": 0.3091796636581421 } }, { "source": "CID:229021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10633", "properties": { "id": "methandriol-mestanolone similarity", "source_label": "methandriol", "target_label": "mestanolone", "cosine_similarity": 0.1726541370153427 } }, { "source": "CID:122023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "LY-255283-PSB-069 similarity", "source_label": "LY-255283", "target_label": "PSB-069", "cosine_similarity": 0.3499686121940613 } }, { "source": "CID:5702003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "mitomycin-c-irinotecan similarity", "source_label": "mitomycin-c", "target_label": "irinotecan", "cosine_similarity": 0.7036489844322205 } }, { "source": "CID:54676038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441029", "properties": { "id": "dicoumarol-fosfomycin similarity", "source_label": "dicoumarol", "target_label": "fosfomycin", "cosine_similarity": 0.2981389462947845 } }, { "source": "CID:3542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "H-7-roscovitine similarity", "source_label": "H-7", "target_label": "roscovitine", "cosine_similarity": 0.3419967591762543 } }, { "source": "CID:4583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "ofloxacin-imiloxan similarity", "source_label": "ofloxacin", "target_label": "imiloxan", "cosine_similarity": 0.4999613463878631 } }, { "source": "CID:5282339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:938", "properties": { "id": "CGH-2466-niacin similarity", "source_label": "CGH-2466", "target_label": "niacin", "cosine_similarity": 0.2899851202964782 } }, { "source": "CID:454217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "prostratin-ingenol similarity", "source_label": "prostratin", "target_label": "ingenol", "cosine_similarity": 0.72880619764328 } }, { "source": "CID:13342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "vinblastine-nocodazole similarity", "source_label": "vinblastine", "target_label": "nocodazole", "cosine_similarity": 0.8061037063598633 } }, { "source": "CID:6610310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "MBCQ-CAY-10618 similarity", "source_label": "MBCQ", "target_label": "CAY-10618", "cosine_similarity": 0.3450819253921509 } }, { "source": "CID:5497136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:164723", "properties": { "id": "ceramide-byssochlamic-acid similarity", "source_label": "ceramide", "target_label": "byssochlamic-acid", "cosine_similarity": 0.1961562484502792 } }, { "source": "CID:44483270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "ouabain-cinobufagin similarity", "source_label": "ouabain", "target_label": "cinobufagin", "cosine_similarity": 0.8825254440307617 } }, { "source": "CID:5597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2118", "properties": { "id": "troxipide-alprazolam similarity", "source_label": "troxipide", "target_label": "alprazolam", "cosine_similarity": 0.2321459352970123 } }, { "source": "CID:4520732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "BU-239-methotrexate similarity", "source_label": "BU-239", "target_label": "methotrexate", "cosine_similarity": 0.345207005739212 } }, { "source": "CID:19103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "NSC-3852-F-1566-0341 similarity", "source_label": "NSC-3852", "target_label": "F-1566-0341", "cosine_similarity": 0.7495242953300476 } }, { "source": "CID:9867642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "laropiprant-fomepizole similarity", "source_label": "laropiprant", "target_label": "fomepizole", "cosine_similarity": 0.3003607094287872 } }, { "source": "CID:119461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "AH-6809-sarcosine similarity", "source_label": "AH-6809", "target_label": "sarcosine", "cosine_similarity": 0.145464226603508 } }, { "source": "CID:5392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "temefos-arbutin similarity", "source_label": "temefos", "target_label": "arbutin", "cosine_similarity": 0.208685964345932 } }, { "source": "CID:2123", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4497", "properties": { "id": "altretamine-nimodipine similarity", "source_label": "altretamine", "target_label": "nimodipine", "cosine_similarity": 0.3062791228294372 } }, { "source": "CID:3316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "exalamide-2-iminobiotin similarity", "source_label": "exalamide", "target_label": "2-iminobiotin", "cosine_similarity": 0.3767001926898956 } }, { "source": "CID:73707418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "celastrol-BG-FA-0953 similarity", "source_label": "celastrol", "target_label": "BG-FA-0953", "cosine_similarity": 0.6154956817626953 } }, { "source": "CID:5312122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "KN-93-T-98475 similarity", "source_label": "KN-93", "target_label": "T-98475", "cosine_similarity": 0.4866692721843719 } }, { "source": "CID:46898058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54585", "properties": { "id": "GSK-923295-balsalazide similarity", "source_label": "GSK-923295", "target_label": "balsalazide", "cosine_similarity": 0.3677971959114074 } }, { "source": "CID:3676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "lidocaine-lorcaserin similarity", "source_label": "lidocaine", "target_label": "lorcaserin", "cosine_similarity": 0.4099473059177398 } }, { "source": "CID:54668813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "SA-1921816-SA-1457336 similarity", "source_label": "SA-1921816", "target_label": "SA-1457336", "cosine_similarity": 0.3321368396282196 } }, { "source": "CID:6604471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "methiazole-CYT-997 similarity", "source_label": "methiazole", "target_label": "CYT-997", "cosine_similarity": 0.4756117165088653 } }, { "source": "CID:60751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "temoporfin-griseofulvin similarity", "source_label": "temoporfin", "target_label": "griseofulvin", "cosine_similarity": 0.4299168586730957 } }, { "source": "CID:4850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:610479", "properties": { "id": "piribedil-tolfenamic-acid similarity", "source_label": "piribedil", "target_label": "tolfenamic-acid", "cosine_similarity": 0.3324025273323059 } }, { "source": "CID:5284514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "acrivastine-honokiol similarity", "source_label": "acrivastine", "target_label": "honokiol", "cosine_similarity": 0.4515295922756195 } }, { "source": "CID:10253143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "GW-842166-grazoprevir similarity", "source_label": "GW-842166", "target_label": "grazoprevir", "cosine_similarity": 0.36615189909935 } }, { "source": "CID:2724385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "digoxin-ouabain similarity", "source_label": "digoxin", "target_label": "ouabain", "cosine_similarity": 0.8439595103263855 } }, { "source": "CID:71354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "bindarit-phenformin similarity", "source_label": "bindarit", "target_label": "phenformin", "cosine_similarity": 0.3164157569408417 } }, { "source": "CID:446556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "pemetrexed-DC-45-A2 similarity", "source_label": "pemetrexed", "target_label": "DC-45-A2", "cosine_similarity": 0.5169039368629456 } }, { "source": "CID:3906779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "Ro-106-9920-NSC-663284 similarity", "source_label": "Ro-106-9920", "target_label": "NSC-663284", "cosine_similarity": 0.4629023969173431 } }, { "source": "CID:40469854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2208391", "properties": { "id": "flumethasone-BJM-HSC2-10 similarity", "source_label": "flumethasone", "target_label": "BJM-HSC2-10", "cosine_similarity": 0.2736246287822723 } }, { "source": "CID:91930061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "bruceantin-anisomycin similarity", "source_label": "bruceantin", "target_label": "anisomycin", "cosine_similarity": 0.7722347974777222 } }, { "source": "CID:114924", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "tetradecylthioacetic-acid-VX-745 similarity", "source_label": "tetradecylthioacetic-acid", "target_label": "VX-745", "cosine_similarity": 0.2896921634674072 } }, { "source": "CID:44618204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "SD-6-035-A7-valproic-acid similarity", "source_label": "SD-6-035-A7", "target_label": "valproic-acid", "cosine_similarity": 0.2771883606910705 } }, { "source": "CID:10302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "salsolidine-flumethasone-pivalate similarity", "source_label": "salsolidine", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.2269573807716369 } }, { "source": "CID:345945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "RAN-30-gliclazide similarity", "source_label": "RAN-30", "target_label": "gliclazide", "cosine_similarity": 0.2371793389320373 } }, { "source": "CID:16667695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "selamectin-cyclosporin-a similarity", "source_label": "selamectin", "target_label": "cyclosporin-a", "cosine_similarity": 0.4009771347045898 } }, { "source": "CID:443872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "eplerenone-sulpiride similarity", "source_label": "eplerenone", "target_label": "sulpiride", "cosine_similarity": 0.3319805264472961 } }, { "source": "CID:4412255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9806489", "properties": { "id": "CP-55940-ZK-164015 similarity", "source_label": "CP-55940", "target_label": "ZK-164015", "cosine_similarity": 0.2874581813812256 } }, { "source": "CID:11095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707425", "properties": { "id": "eriodictyol-guggulsterone similarity", "source_label": "eriodictyol", "target_label": "guggulsterone", "cosine_similarity": 0.3085253834724426 } }, { "source": "CID:15301607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:378811", "properties": { "id": "VU-0415012-MR-16728 similarity", "source_label": "VU-0415012", "target_label": "MR-16728", "cosine_similarity": 0.1757699698209762 } }, { "source": "CID:444029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "colforsin-daproate-GSK-429286A similarity", "source_label": "colforsin-daproate", "target_label": "GSK-429286A", "cosine_similarity": 0.2459267824888229 } }, { "source": "CID:16112820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "neurodazine-nadolol similarity", "source_label": "neurodazine", "target_label": "nadolol", "cosine_similarity": 0.3114454746246338 } }, { "source": "CID:25147679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24871028", "properties": { "id": "diarylsulfonesulfonamide-nystatin similarity", "source_label": "diarylsulfonesulfonamide", "target_label": "nystatin", "cosine_similarity": 0.2091377079486847 } }, { "source": "CID:196841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "FR-122047-PSH-024 similarity", "source_label": "FR-122047", "target_label": "PSH-024", "cosine_similarity": 0.2448954582214355 } }, { "source": "CID:1993104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "RAN-07-gossypin similarity", "source_label": "RAN-07", "target_label": "gossypin", "cosine_similarity": 0.3145269751548767 } }, { "source": "CID:16760034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "bongkrek-acid-meclofenamic-acid similarity", "source_label": "bongkrek-acid", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3910547494888305 } }, { "source": "CID:2541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "candesartan-VX-222 similarity", "source_label": "candesartan", "target_label": "VX-222", "cosine_similarity": 0.3358486592769623 } }, { "source": "CID:11524144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5083", "properties": { "id": "dorsomorphin-bisindolylmaleimide-ix similarity", "source_label": "dorsomorphin", "target_label": "bisindolylmaleimide-ix", "cosine_similarity": 0.4875790476799011 } }, { "source": "CID:44483253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "cyclopiazonic-acid-3'-fluorobenzylspiperone similarity", "source_label": "cyclopiazonic-acid", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.3916071951389313 } }, { "source": "CID:60192328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-1938756-SA-1938867 similarity", "source_label": "SA-1938756", "target_label": "SA-1938867", "cosine_similarity": 0.2470662742853164 } }, { "source": "CID:9806489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "ZK-164015-CGP-71683 similarity", "source_label": "ZK-164015", "target_label": "CGP-71683", "cosine_similarity": 0.5237686038017273 } }, { "source": "CID:16124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53276", "properties": { "id": "medronic-acid-flupirtine similarity", "source_label": "medronic-acid", "target_label": "flupirtine", "cosine_similarity": 0.1732732206583023 } }, { "source": "CID:4687238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133076", "properties": { "id": "L-693403-RS-67506 similarity", "source_label": "L-693403", "target_label": "RS-67506", "cosine_similarity": 0.2182162404060363 } }, { "source": "CID:4649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "aminosalicylic-acid-REV-5901 similarity", "source_label": "aminosalicylic-acid", "target_label": "REV-5901", "cosine_similarity": 0.4185487031936645 } }, { "source": "CID:44487898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71759907", "properties": { "id": "SA-88642-SA-1939891 similarity", "source_label": "SA-88642", "target_label": "SA-1939891", "cosine_similarity": 0.2155931740999221 } }, { "source": "CID:107896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "gabazine-zebularine similarity", "source_label": "gabazine", "target_label": "zebularine", "cosine_similarity": 0.3411959111690521 } }, { "source": "CID:44139710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "KIN-001-220-vinorelbine similarity", "source_label": "KIN-001-220", "target_label": "vinorelbine", "cosine_similarity": 0.2930059731006622 } }, { "source": "CID:44219749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "WYE-354-PI-103 similarity", "source_label": "WYE-354", "target_label": "PI-103", "cosine_similarity": 0.7655991911888123 } }, { "source": "CID:3166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "drofenine-pipenzolate similarity", "source_label": "drofenine", "target_label": "pipenzolate", "cosine_similarity": 0.5565706491470337 } }, { "source": "CID:77991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "rivastigmine-linsidomine similarity", "source_label": "rivastigmine", "target_label": "linsidomine", "cosine_similarity": 0.3724192976951599 } }, { "source": "CID:134551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "ergocryptine-CAM-9-021 similarity", "source_label": "ergocryptine", "target_label": "CAM-9-021", "cosine_similarity": 0.2439541071653366 } }, { "source": "CID:3162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3394", "properties": { "id": "doxylamine-flurbiprofen similarity", "source_label": "doxylamine", "target_label": "flurbiprofen", "cosine_similarity": 0.2869585454463959 } }, { "source": "CID:16759359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282593", "properties": { "id": "SQ-29548-homatropine similarity", "source_label": "SQ-29548", "target_label": "homatropine", "cosine_similarity": 0.2556189000606537 } }, { "source": "CID:3671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "ibudilast-pentoxifylline similarity", "source_label": "ibudilast", "target_label": "pentoxifylline", "cosine_similarity": 0.2995960414409637 } }, { "source": "CID:44505490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487665", "properties": { "id": "SA-419172-SA-85377 similarity", "source_label": "SA-419172", "target_label": "SA-85377", "cosine_similarity": 0.3836866617202759 } }, { "source": "CID:10668211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "R-96544-atorvastatin similarity", "source_label": "R-96544", "target_label": "atorvastatin", "cosine_similarity": 0.4354255199432373 } }, { "source": "CID:51003685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CVF-SUMO-14-EMF-sumo1-39 similarity", "source_label": "CVF-SUMO-14", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.8267195820808411 } }, { "source": "CID:22565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "aminopentamide-pemoline similarity", "source_label": "aminopentamide", "target_label": "pemoline", "cosine_similarity": 0.290237545967102 } }, { "source": "CID:5758458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2688", "properties": { "id": "thiazolopyrimidine-CGP-37157 similarity", "source_label": "thiazolopyrimidine", "target_label": "CGP-37157", "cosine_similarity": 0.5159482955932617 } }, { "source": "CID:24868317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92766", "properties": { "id": "UCL-2077-corynanthine similarity", "source_label": "UCL-2077", "target_label": "corynanthine", "cosine_similarity": 0.2643570303916931 } }, { "source": "CID:4687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "paraxanthine-desoxypeganine similarity", "source_label": "paraxanthine", "target_label": "desoxypeganine", "cosine_similarity": 0.3249247670173645 } }, { "source": "CID:134141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "fluphenazine-CAY-10594 similarity", "source_label": "fluphenazine", "target_label": "CAY-10594", "cosine_similarity": 0.649653434753418 } }, { "source": "CID:151170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "cilomilast-adenosine similarity", "source_label": "cilomilast", "target_label": "adenosine", "cosine_similarity": 0.4245078563690185 } }, { "source": "CID:60961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978813", "properties": { "id": "adenosine-brexpiprazole similarity", "source_label": "adenosine", "target_label": "brexpiprazole", "cosine_similarity": 0.5591741800308228 } }, { "source": "CID:2900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "cycloheximide-anisomycin similarity", "source_label": "cycloheximide", "target_label": "anisomycin", "cosine_similarity": 0.7640407085418701 } }, { "source": "CID:7048624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "cefazolin-cefoxitin similarity", "source_label": "cefazolin", "target_label": "cefoxitin", "cosine_similarity": 0.2266713678836822 } }, { "source": "CID:28693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "metergoline-Y-134 similarity", "source_label": "metergoline", "target_label": "Y-134", "cosine_similarity": 0.4440538287162781 } }, { "source": "CID:5202074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11345983", "properties": { "id": "MRS-1845-cardiogenol-c similarity", "source_label": "MRS-1845", "target_label": "cardiogenol-c", "cosine_similarity": 0.2503754198551178 } }, { "source": "CID:11957722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:158794", "properties": { "id": "terguride-ZD-2079 similarity", "source_label": "terguride", "target_label": "ZD-2079", "cosine_similarity": 0.2554429471492767 } }, { "source": "CID:8515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "pyrazolanthrone-gefitinib similarity", "source_label": "pyrazolanthrone", "target_label": "gefitinib", "cosine_similarity": 0.2968003749847412 } }, { "source": "CID:73010922", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9860529", "properties": { "id": "ischemin-NU-7026 similarity", "source_label": "ischemin", "target_label": "NU-7026", "cosine_similarity": 0.4812204241752624 } }, { "source": "CID:6708769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2777", "properties": { "id": "buddleoflavonoloside-CL-82198 similarity", "source_label": "buddleoflavonoloside", "target_label": "CL-82198", "cosine_similarity": 0.306511640548706 } }, { "source": "CID:53347979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "BG-STK33-03-BG-STK33-55 similarity", "source_label": "BG-STK33-03", "target_label": "BG-STK33-55", "cosine_similarity": 0.5426847338676453 } }, { "source": "CID:23649154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2913", "properties": { "id": "tegobuvir-cyproheptadine similarity", "source_label": "tegobuvir", "target_label": "cyproheptadine", "cosine_similarity": 0.4317252337932586 } }, { "source": "CID:65628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39836", "properties": { "id": "bendamustine-L-NAME similarity", "source_label": "bendamustine", "target_label": "L-NAME", "cosine_similarity": 0.3340138494968414 } }, { "source": "CID:3958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3478", "properties": { "id": "lorazepam-glipizide similarity", "source_label": "lorazepam", "target_label": "glipizide", "cosine_similarity": 0.4785464704036712 } }, { "source": "CID:10666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "ricinine-VER-155008 similarity", "source_label": "ricinine", "target_label": "VER-155008", "cosine_similarity": 0.2921449244022369 } }, { "source": "CID:4429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "naltriben-Gossypetin similarity", "source_label": "naltriben", "target_label": "Gossypetin", "cosine_similarity": 0.266671746969223 } }, { "source": "CID:4592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "olomoucine-LY-255283 similarity", "source_label": "olomoucine", "target_label": "LY-255283", "cosine_similarity": 0.3210959732532501 } }, { "source": "CID:72172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12560", "properties": { "id": "ubenimex-erythromycin similarity", "source_label": "ubenimex", "target_label": "erythromycin", "cosine_similarity": 0.3503276109695434 } }, { "source": "CID:44507247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "SA-1017940-tacedinaline similarity", "source_label": "SA-1017940", "target_label": "tacedinaline", "cosine_similarity": 0.5340684056282043 } }, { "source": "CID:135565181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47510", "properties": { "id": "IOWH-032-lidamidine similarity", "source_label": "IOWH-032", "target_label": "lidamidine", "cosine_similarity": 0.2808656692504883 } }, { "source": "CID:60185339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-1925610-SA-1459213 similarity", "source_label": "SA-1925610", "target_label": "SA-1459213", "cosine_similarity": 0.3204911649227142 } }, { "source": "CID:46925828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10251", "properties": { "id": "SD-6-035-A6-flavanone similarity", "source_label": "SD-6-035-A6", "target_label": "flavanone", "cosine_similarity": 0.2281944453716278 } }, { "source": "CID:10687292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "cytosporone-b-thiazolopyrimidine similarity", "source_label": "cytosporone-b", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.4660833179950714 } }, { "source": "CID:24906282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "KIN001-043-THZ-2-98-01 similarity", "source_label": "KIN001-043", "target_label": "THZ-2-98-01", "cosine_similarity": 0.4891633093357086 } }, { "source": "CID:73707346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "pyrvinium-NNC-55-0396 similarity", "source_label": "pyrvinium", "target_label": "NNC-55-0396", "cosine_similarity": 0.5057644844055176 } }, { "source": "CID:243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "benzoic-acid-PT-630 similarity", "source_label": "benzoic-acid", "target_label": "PT-630", "cosine_similarity": 0.3107903897762298 } }, { "source": "CID:3494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4260", "properties": { "id": "glycopyrrolate-moxisylyte similarity", "source_label": "glycopyrrolate", "target_label": "moxisylyte", "cosine_similarity": 0.4467655122280121 } }, { "source": "CID:177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11249248", "properties": { "id": "acetaldehyde-BMS-299897 similarity", "source_label": "acetaldehyde", "target_label": "BMS-299897", "cosine_similarity": 0.2456779330968856 } }, { "source": "CID:156422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "doramapimod-REV-5901 similarity", "source_label": "doramapimod", "target_label": "REV-5901", "cosine_similarity": 0.4512392878532409 } }, { "source": "CID:50287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "tiotidine-guanabenz similarity", "source_label": "tiotidine", "target_label": "guanabenz", "cosine_similarity": 0.3094128668308258 } }, { "source": "CID:129010090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "ginkgolide-a-benzbromarone similarity", "source_label": "ginkgolide-a", "target_label": "benzbromarone", "cosine_similarity": 0.2335245460271835 } }, { "source": "CID:4495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:636403", "properties": { "id": "nimesulide-carbenoxolone similarity", "source_label": "nimesulide", "target_label": "carbenoxolone", "cosine_similarity": 0.3465642631053924 } }, { "source": "CID:2378095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "decafluorobutane-XAV-939 similarity", "source_label": "decafluorobutane", "target_label": "XAV-939", "cosine_similarity": 0.2365988194942474 } }, { "source": "CID:44640177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "KU-C104491-MK-212 similarity", "source_label": "KU-C104491", "target_label": "MK-212", "cosine_similarity": 0.397163838148117 } }, { "source": "CID:2161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "amlexanox-felodipine similarity", "source_label": "amlexanox", "target_label": "felodipine", "cosine_similarity": 0.422490507364273 } }, { "source": "CID:30951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "alclofenac-danegaptide similarity", "source_label": "alclofenac", "target_label": "danegaptide", "cosine_similarity": 0.3581675589084625 } }, { "source": "CID:4078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "mesoridazine-monocrotaline similarity", "source_label": "mesoridazine", "target_label": "monocrotaline", "cosine_similarity": 0.3945976197719574 } }, { "source": "CID:165404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "L-ergothioneine-tetrahydrouridine similarity", "source_label": "L-ergothioneine", "target_label": "tetrahydrouridine", "cosine_similarity": 0.8470227122306824 } }, { "source": "CID:5360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:494471", "properties": { "id": "dextrorphan-methyllycaconitine similarity", "source_label": "dextrorphan", "target_label": "methyllycaconitine", "cosine_similarity": 0.2573118805885315 } }, { "source": "CID:5565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "trientine-pregnenolone similarity", "source_label": "trientine", "target_label": "pregnenolone", "cosine_similarity": 0.2989050149917602 } }, { "source": "CID:2157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "amiodarone-obatoclax similarity", "source_label": "amiodarone", "target_label": "obatoclax", "cosine_similarity": 0.6099290251731873 } }, { "source": "CID:115193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "isofloxythepin-lersivirine similarity", "source_label": "isofloxythepin", "target_label": "lersivirine", "cosine_similarity": 0.4910732507705688 } }, { "source": "CID:135398516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "OSI-027-WYE-125132 similarity", "source_label": "OSI-027", "target_label": "WYE-125132", "cosine_similarity": 0.8466039299964905 } }, { "source": "CID:70680398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "MW-SHH-97-SA-427228 similarity", "source_label": "MW-SHH-97", "target_label": "SA-427228", "cosine_similarity": 0.3009864389896393 } }, { "source": "CID:213040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "dofequidar-milnacipran similarity", "source_label": "dofequidar", "target_label": "milnacipran", "cosine_similarity": 0.4254373610019684 } }, { "source": "CID:73707543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506448", "properties": { "id": "BG-1025-BG-1004 similarity", "source_label": "BG-1025", "target_label": "BG-1004", "cosine_similarity": 0.3963905870914459 } }, { "source": "CID:5353593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "DMBI-hydroxyamphetamine similarity", "source_label": "DMBI", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.3154862523078918 } }, { "source": "CID:9801969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "EO-1428-GSK-1059615 similarity", "source_label": "EO-1428", "target_label": "GSK-1059615", "cosine_similarity": 0.3042618036270141 } }, { "source": "CID:50922681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010025", "properties": { "id": "NSI-189-azithromycin similarity", "source_label": "NSI-189", "target_label": "azithromycin", "cosine_similarity": 0.3173004686832428 } }, { "source": "CID:60835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "duloxetine-tibolone similarity", "source_label": "duloxetine", "target_label": "tibolone", "cosine_similarity": 0.2907631695270538 } }, { "source": "CID:3845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "kynurenic-acid-epirizole similarity", "source_label": "kynurenic-acid", "target_label": "epirizole", "cosine_similarity": 0.2234288156032562 } }, { "source": "CID:45489447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707429", "properties": { "id": "VU-0415555-1-oligomycin-a similarity", "source_label": "VU-0415555-1", "target_label": "oligomycin-a", "cosine_similarity": 0.2841036319732666 } }, { "source": "CID:5531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4507", "properties": { "id": "trapidil-nitrendipine similarity", "source_label": "trapidil", "target_label": "nitrendipine", "cosine_similarity": 0.2719722092151642 } }, { "source": "CID:4888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "pranoprofen-liranaftate similarity", "source_label": "pranoprofen", "target_label": "liranaftate", "cosine_similarity": 0.2219741344451904 } }, { "source": "CID:4728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23760717", "properties": { "id": "penicillic-acid-CA-074-Me similarity", "source_label": "penicillic-acid", "target_label": "CA-074-Me", "cosine_similarity": 0.4263205230236053 } }, { "source": "CID:72734382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "HDAC3-selective-mocetinostat similarity", "source_label": "HDAC3-selective", "target_label": "mocetinostat", "cosine_similarity": 0.4155934453010559 } }, { "source": "CID:10184653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "afatinib-pelitinib similarity", "source_label": "afatinib", "target_label": "pelitinib", "cosine_similarity": 0.7214495539665222 } }, { "source": "CID:45489406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11201705", "properties": { "id": "VU-0415535-1-ivachtin similarity", "source_label": "VU-0415535-1", "target_label": "ivachtin", "cosine_similarity": 0.241262674331665 } }, { "source": "CID:44505047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504533", "properties": { "id": "SA-419083-SA-103150 similarity", "source_label": "SA-419083", "target_label": "SA-103150", "cosine_similarity": 0.2803892493247986 } }, { "source": "CID:6604200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "nitrofurantoin-3'-fluorobenzylspiperone similarity", "source_label": "nitrofurantoin", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.3261891305446625 } }, { "source": "CID:5703601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "SEW-05685-ketotifen similarity", "source_label": "SEW-05685", "target_label": "ketotifen", "cosine_similarity": 0.2242703437805175 } }, { "source": "CID:441853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9547215", "properties": { "id": "cymarin-bufalin similarity", "source_label": "cymarin", "target_label": "bufalin", "cosine_similarity": 0.8646742701530457 } }, { "source": "CID:25151504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2478", "properties": { "id": "cobicistat-busulfan similarity", "source_label": "cobicistat", "target_label": "busulfan", "cosine_similarity": 0.3680059611797333 } }, { "source": "CID:11598628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "PF-431396-PF-562271 similarity", "source_label": "PF-431396", "target_label": "PF-562271", "cosine_similarity": 0.5870301127433777 } }, { "source": "CID:3747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135413511", "properties": { "id": "ipriflavone-tirapazamine similarity", "source_label": "ipriflavone", "target_label": "tirapazamine", "cosine_similarity": 0.222866415977478 } }, { "source": "CID:4898145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:761523", "properties": { "id": "EMF-sumo1-9-m-3M3FBS similarity", "source_label": "EMF-sumo1-9", "target_label": "m-3M3FBS", "cosine_similarity": 0.2267601788043975 } }, { "source": "CID:5071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "rimantadine-dideoxyadenosine similarity", "source_label": "rimantadine", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3728111386299133 } }, { "source": "CID:25183872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "ixazomib-MLN-9708 similarity", "source_label": "ixazomib", "target_label": "MLN-9708", "cosine_similarity": 0.7962539196014404 } }, { "source": "CID:49381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500998", "properties": { "id": "fluperlapine-SA-245650 similarity", "source_label": "fluperlapine", "target_label": "SA-245650", "cosine_similarity": 0.2195467799901962 } }, { "source": "CID:4369491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "PD-407824-I-070759 similarity", "source_label": "PD-407824", "target_label": "I-070759", "cosine_similarity": 0.5564691424369812 } }, { "source": "CID:2176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "ampiroxicam-tetrahydrouridine similarity", "source_label": "ampiroxicam", "target_label": "tetrahydrouridine", "cosine_similarity": 0.1683279275894165 } }, { "source": "CID:46224516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "UNC-0638-CCT-031374 similarity", "source_label": "UNC-0638", "target_label": "CCT-031374", "cosine_similarity": 0.7427119016647339 } }, { "source": "CID:3550807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "EMF-sumo1-7-JAS07-006 similarity", "source_label": "EMF-sumo1-7", "target_label": "JAS07-006", "cosine_similarity": 0.2369903028011322 } }, { "source": "CID:25109985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "SJB-shh-31-EMF-csc-9 similarity", "source_label": "SJB-shh-31", "target_label": "EMF-csc-9", "cosine_similarity": 0.2574637234210968 } }, { "source": "CID:44483164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "KU-C103853-EMF-sumo1-11 similarity", "source_label": "KU-C103853", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.3492693305015564 } }, { "source": "CID:5386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "tegafur-T-0156 similarity", "source_label": "tegafur", "target_label": "T-0156", "cosine_similarity": 0.2780500650405884 } }, { "source": "CID:24747189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747213", "properties": { "id": "JAS07-004-PSH-008 similarity", "source_label": "JAS07-004", "target_label": "PSH-008", "cosine_similarity": 0.2197081595659256 } }, { "source": "CID:16773791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "BG-1032-tacedinaline similarity", "source_label": "BG-1032", "target_label": "tacedinaline", "cosine_similarity": 0.5538501739501953 } }, { "source": "CID:9862248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "sobetirome-lamivudine similarity", "source_label": "sobetirome", "target_label": "lamivudine", "cosine_similarity": 0.2950976192951202 } }, { "source": "CID:5065494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926575", "properties": { "id": "K784-3391-MW-A1-14 similarity", "source_label": "K784-3391", "target_label": "MW-A1-14", "cosine_similarity": 0.2235845178365707 } }, { "source": "CID:5053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46233311", "properties": { "id": "resmethrin-GSK-0660 similarity", "source_label": "resmethrin", "target_label": "GSK-0660", "cosine_similarity": 0.199082612991333 } }, { "source": "CID:44501814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SA-103006-JAS07-006 similarity", "source_label": "SA-103006", "target_label": "JAS07-006", "cosine_similarity": 0.3140482902526855 } }, { "source": "CID:66265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "dexfenfluramine-vortioxetine similarity", "source_label": "dexfenfluramine", "target_label": "vortioxetine", "cosine_similarity": 0.4696822762489319 } }, { "source": "CID:2583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312531", "properties": { "id": "carteolol-mead-acid similarity", "source_label": "carteolol", "target_label": "mead-acid", "cosine_similarity": 0.2497162818908691 } }, { "source": "CID:24747188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104845", "properties": { "id": "JAS07-002-alfaxalone similarity", "source_label": "JAS07-002", "target_label": "alfaxalone", "cosine_similarity": 0.2315022200345993 } }, { "source": "CID:4112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148121", "properties": { "id": "methotrexate-pralatrexate similarity", "source_label": "methotrexate", "target_label": "pralatrexate", "cosine_similarity": 0.634286105632782 } }, { "source": "CID:44629410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ARG-TC-41-FTI-276 similarity", "source_label": "ARG-TC-41", "target_label": "FTI-276", "cosine_similarity": 0.3479994535446167 } }, { "source": "CID:44630540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "KU-C104255-KO-143 similarity", "source_label": "KU-C104255", "target_label": "KO-143", "cosine_similarity": 0.2714112401008606 } }, { "source": "CID:9918908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "PD-166793-CGS-21680 similarity", "source_label": "PD-166793", "target_label": "CGS-21680", "cosine_similarity": 0.2929651737213135 } }, { "source": "CID:4350931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "LE-300-DR-2313 similarity", "source_label": "LE-300", "target_label": "DR-2313", "cosine_similarity": 0.2297874838113784 } }, { "source": "CID:132059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "L-694247-ASN-05257430 similarity", "source_label": "L-694247", "target_label": "ASN-05257430", "cosine_similarity": 0.2429371923208236 } }, { "source": "CID:3646984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "F-1061-0166-auranofin similarity", "source_label": "F-1061-0166", "target_label": "auranofin", "cosine_similarity": 0.5235008597373962 } }, { "source": "CID:5035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "raloxifene-tandutinib similarity", "source_label": "raloxifene", "target_label": "tandutinib", "cosine_similarity": 0.6251376271247864 } }, { "source": "CID:6307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1126109", "properties": { "id": "quinethazone-JX-401 similarity", "source_label": "quinethazone", "target_label": "JX-401", "cosine_similarity": 0.303951621055603 } }, { "source": "CID:46931007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "daunorubicin-mitoxantrone similarity", "source_label": "daunorubicin", "target_label": "mitoxantrone", "cosine_similarity": 0.8445656299591064 } }, { "source": "CID:59149652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "AZD-5069-bitopertin similarity", "source_label": "AZD-5069", "target_label": "bitopertin", "cosine_similarity": 0.1914817690849304 } }, { "source": "CID:5496659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "otamixaban-Y-26763 similarity", "source_label": "otamixaban", "target_label": "Y-26763", "cosine_similarity": 0.4241415858268738 } }, { "source": "CID:46844147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "XMD-885-XMD-1150 similarity", "source_label": "XMD-885", "target_label": "XMD-1150", "cosine_similarity": 0.6727030277252197 } }, { "source": "CID:2780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3276", "properties": { "id": "clebopride-etanidazole similarity", "source_label": "clebopride", "target_label": "etanidazole", "cosine_similarity": 0.3016778528690338 } }, { "source": "CID:24856436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565545", "properties": { "id": "MK-1775-PF-477736 similarity", "source_label": "MK-1775", "target_label": "PF-477736", "cosine_similarity": 0.5250924229621887 } }, { "source": "CID:6473866", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "tacrolimus-cyclosporin-a similarity", "source_label": "tacrolimus", "target_label": "cyclosporin-a", "cosine_similarity": 0.4280760288238525 } }, { "source": "CID:73707528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "etodolac-fasudil similarity", "source_label": "etodolac", "target_label": "fasudil", "cosine_similarity": 0.3387019634246826 } }, { "source": "CID:2933863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "KU-C103875-EXO-1 similarity", "source_label": "KU-C103875", "target_label": "EXO-1", "cosine_similarity": 0.2480487376451492 } }, { "source": "CID:23786513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "NK26-I-41-1-L-689560 similarity", "source_label": "NK26-I-41-1", "target_label": "L-689560", "cosine_similarity": 0.2563725411891937 } }, { "source": "CID:5281607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353", "properties": { "id": "chrysin-sulmazole similarity", "source_label": "chrysin", "target_label": "sulmazole", "cosine_similarity": 0.3087621629238128 } }, { "source": "CID:1585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "CV-1808-ME-0328 similarity", "source_label": "CV-1808", "target_label": "ME-0328", "cosine_similarity": 0.4819779396057129 } }, { "source": "CID:46239015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46700756", "properties": { "id": "SCH-900776-LY-2606368 similarity", "source_label": "SCH-900776", "target_label": "LY-2606368", "cosine_similarity": 0.2475180178880691 } }, { "source": "CID:124172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4883", "properties": { "id": "SC-9-practolol similarity", "source_label": "SC-9", "target_label": "practolol", "cosine_similarity": 0.2738058269023895 } }, { "source": "CID:23844163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "NK42-I-109-1-Gossypetin similarity", "source_label": "NK42-I-109-1", "target_label": "Gossypetin", "cosine_similarity": 0.3458290100097656 } }, { "source": "CID:10200390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135399748", "properties": { "id": "BAY-61-3606-CHIR-124 similarity", "source_label": "BAY-61-3606", "target_label": "CHIR-124", "cosine_similarity": 0.6430631279945374 } }, { "source": "CID:2894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "cyclazosin-CAY-10594 similarity", "source_label": "cyclazosin", "target_label": "CAY-10594", "cosine_similarity": 0.3259122967720032 } }, { "source": "CID:14973220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "SD-169-GSK-429286A similarity", "source_label": "SD-169", "target_label": "GSK-429286A", "cosine_similarity": 0.2821492254734039 } }, { "source": "CID:24868316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "WAY-213613-venlafaxine similarity", "source_label": "WAY-213613", "target_label": "venlafaxine", "cosine_similarity": 0.1959870457649231 } }, { "source": "CID:4687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "paraxanthine-levosulpiride similarity", "source_label": "paraxanthine", "target_label": "levosulpiride", "cosine_similarity": 0.3325182795524597 } }, { "source": "CID:46238422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "RAN-27-amiodarone similarity", "source_label": "RAN-27", "target_label": "amiodarone", "cosine_similarity": 0.1840999275445938 } }, { "source": "CID:10633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23760717", "properties": { "id": "mestanolone-CA-074-Me similarity", "source_label": "mestanolone", "target_label": "CA-074-Me", "cosine_similarity": 0.2077010124921798 } }, { "source": "CID:44818131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "diaminoquinazoline-NSC-3852 similarity", "source_label": "diaminoquinazoline", "target_label": "NSC-3852", "cosine_similarity": 0.3455524146556854 } }, { "source": "CID:2812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "clotrimazole-dapivirine similarity", "source_label": "clotrimazole", "target_label": "dapivirine", "cosine_similarity": 0.4162918925285339 } }, { "source": "CID:73707606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707604", "properties": { "id": "oxetane-avicin-g similarity", "source_label": "oxetane", "target_label": "avicin-g", "cosine_similarity": 0.5928303003311157 } }, { "source": "CID:36273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "mecillinam-GW-9508 similarity", "source_label": "mecillinam", "target_label": "GW-9508", "cosine_similarity": 0.2308412045240402 } }, { "source": "CID:10427712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "TG-100115-mirtazapine similarity", "source_label": "TG-100115", "target_label": "mirtazapine", "cosine_similarity": 0.3360474407672882 } }, { "source": "CID:449459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "tamoxifen-CAY-10594 similarity", "source_label": "tamoxifen", "target_label": "CAY-10594", "cosine_similarity": 0.7629026174545288 } }, { "source": "CID:5533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "trazodone-repaglinide similarity", "source_label": "trazodone", "target_label": "repaglinide", "cosine_similarity": 0.3925199210643768 } }, { "source": "CID:10410310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "tetracycline-sorafenib similarity", "source_label": "tetracycline", "target_label": "sorafenib", "cosine_similarity": 0.5072481632232666 } }, { "source": "CID:46851313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44511091", "properties": { "id": "ABT-639-formestane similarity", "source_label": "ABT-639", "target_label": "formestane", "cosine_similarity": 0.159766674041748 } }, { "source": "CID:3410883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "BU-226-LY-2365109 similarity", "source_label": "BU-226", "target_label": "LY-2365109", "cosine_similarity": 0.2555357813835144 } }, { "source": "CID:2366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24872560", "properties": { "id": "betahistine-ARN-509 similarity", "source_label": "betahistine", "target_label": "ARN-509", "cosine_similarity": 0.2870450615882873 } }, { "source": "CID:5472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "ticlopidine-felodipine similarity", "source_label": "ticlopidine", "target_label": "felodipine", "cosine_similarity": 0.372532308101654 } }, { "source": "CID:11249248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010004", "properties": { "id": "BMS-299897-tebipenem similarity", "source_label": "BMS-299897", "target_label": "tebipenem", "cosine_similarity": 0.3480232954025268 } }, { "source": "CID:6839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "phensuximide-dienestrol similarity", "source_label": "phensuximide", "target_label": "dienestrol", "cosine_similarity": 0.4448961019515991 } }, { "source": "CID:10253795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710736", "properties": { "id": "cefprozil-troxerutin similarity", "source_label": "cefprozil", "target_label": "troxerutin", "cosine_similarity": 0.5106995701789856 } }, { "source": "CID:6433109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "XBD-173-rutin similarity", "source_label": "XBD-173", "target_label": "rutin", "cosine_similarity": 0.3286076188087463 } }, { "source": "CID:17756796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "BIBU-1361-RS-17053 similarity", "source_label": "BIBU-1361", "target_label": "RS-17053", "cosine_similarity": 0.6809964179992676 } }, { "source": "CID:31549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2900", "properties": { "id": "anisomycin-cycloheximide similarity", "source_label": "anisomycin", "target_label": "cycloheximide", "cosine_similarity": 0.7640407085418701 } }, { "source": "CID:4450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "nefopam-pirfenidone similarity", "source_label": "nefopam", "target_label": "pirfenidone", "cosine_similarity": 0.3609552383422851 } }, { "source": "CID:16736529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "BIIB-021-tanespimycin similarity", "source_label": "BIIB-021", "target_label": "tanespimycin", "cosine_similarity": 0.874398410320282 } }, { "source": "CID:5284549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "dorzolamide-Y-26763 similarity", "source_label": "dorzolamide", "target_label": "Y-26763", "cosine_similarity": 0.4775994122028351 } }, { "source": "CID:9855081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "cyclosporin-a-thapsigargin similarity", "source_label": "cyclosporin-a", "target_label": "thapsigargin", "cosine_similarity": 0.6850333213806152 } }, { "source": "CID:44484295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "SA-90544-ketotifen similarity", "source_label": "SA-90544", "target_label": "ketotifen", "cosine_similarity": 0.266400009393692 } }, { "source": "CID:5908088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "oxindole-I-RJC-00245SC similarity", "source_label": "oxindole-I", "target_label": "RJC-00245SC", "cosine_similarity": 0.3106801807880401 } }, { "source": "CID:9949641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "NPI-2358-vincristine similarity", "source_label": "NPI-2358", "target_label": "vincristine", "cosine_similarity": 0.5618644952774048 } }, { "source": "CID:22565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "aminopentamide-lenalidomide similarity", "source_label": "aminopentamide", "target_label": "lenalidomide", "cosine_similarity": 0.3112123608589172 } }, { "source": "CID:4891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "praziquantel-CGS-21680 similarity", "source_label": "praziquantel", "target_label": "CGS-21680", "cosine_similarity": 0.3171125650405884 } }, { "source": "CID:60769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "MDL-73005EF-LY-215490 similarity", "source_label": "MDL-73005EF", "target_label": "LY-215490", "cosine_similarity": 0.416828453540802 } }, { "source": "CID:5270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71781", "properties": { "id": "SQ-22536-MDL-11939 similarity", "source_label": "SQ-22536", "target_label": "MDL-11939", "cosine_similarity": 0.2884215712547302 } }, { "source": "CID:5215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "sulfadiazine-EMF-sumo1-6 similarity", "source_label": "sulfadiazine", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2732129096984863 } }, { "source": "CID:6481236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "PSI-6130-taranabant similarity", "source_label": "PSI-6130", "target_label": "taranabant", "cosine_similarity": 0.4687803089618683 } }, { "source": "CID:54459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "idazoxan-drofenine similarity", "source_label": "idazoxan", "target_label": "drofenine", "cosine_similarity": 0.2816444337368011 } }, { "source": "CID:44507299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186945", "properties": { "id": "SA-247636-SA-1938862 similarity", "source_label": "SA-247636", "target_label": "SA-1938862", "cosine_similarity": 0.298473984003067 } }, { "source": "CID:4858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3213", "properties": { "id": "PJ-34-ellipticine similarity", "source_label": "PJ-34", "target_label": "ellipticine", "cosine_similarity": 0.4888308942317962 } }, { "source": "CID:158794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "ZD-2079-DL-TBOA similarity", "source_label": "ZD-2079", "target_label": "DL-TBOA", "cosine_similarity": 0.3037251532077789 } }, { "source": "CID:5282379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "isotretinoin-tretinoin similarity", "source_label": "isotretinoin", "target_label": "tretinoin", "cosine_similarity": 0.4161687791347503 } }, { "source": "CID:3488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "glibenclamide-prima-1-met similarity", "source_label": "glibenclamide", "target_label": "prima-1-met", "cosine_similarity": 0.4582374691963196 } }, { "source": "CID:44490269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488751", "properties": { "id": "SA-102787-SA-422830 similarity", "source_label": "SA-102787", "target_label": "SA-422830", "cosine_similarity": 0.2878953814506531 } }, { "source": "CID:11713159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11338033", "properties": { "id": "PF-562271-AT-7519 similarity", "source_label": "PF-562271", "target_label": "AT-7519", "cosine_similarity": 0.5561169385910034 } }, { "source": "CID:110634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "vardenafil-mirtazapine similarity", "source_label": "vardenafil", "target_label": "mirtazapine", "cosine_similarity": 0.3424140810966491 } }, { "source": "CID:46216796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46220502", "properties": { "id": "pacritinib-LY-2835219 similarity", "source_label": "pacritinib", "target_label": "LY-2835219", "cosine_similarity": 0.4028098285198211 } }, { "source": "CID:5426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "thalidomide-NU-1025 similarity", "source_label": "thalidomide", "target_label": "NU-1025", "cosine_similarity": 0.5104740262031555 } }, { "source": "CID:637566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "nerol-alpha-tocopherol similarity", "source_label": "nerol", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2785485982894897 } }, { "source": "CID:2819320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840324", "properties": { "id": "KM-01366-etomoxir similarity", "source_label": "KM-01366", "target_label": "etomoxir", "cosine_similarity": 0.2623990774154663 } }, { "source": "CID:5702055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "flumethasone-pivalate-phenothrin similarity", "source_label": "flumethasone-pivalate", "target_label": "phenothrin", "cosine_similarity": 0.5580768585205078 } }, { "source": "CID:2153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "theophylline-chlorpropamide similarity", "source_label": "theophylline", "target_label": "chlorpropamide", "cosine_similarity": 0.3328377902507782 } }, { "source": "CID:443423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "cromakalim-rolipram similarity", "source_label": "cromakalim", "target_label": "rolipram", "cosine_similarity": 0.2881993353366852 } }, { "source": "CID:3721046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "CNQX-AICA-ribonucleotide similarity", "source_label": "CNQX", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3079521059989929 } }, { "source": "CID:224246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "isoflupredone-acetate-hydrocortisone similarity", "source_label": "isoflupredone-acetate", "target_label": "hydrocortisone", "cosine_similarity": 0.3510067462921142 } }, { "source": "CID:6334600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134117", "properties": { "id": "hyoscyamine-BP-554 similarity", "source_label": "hyoscyamine", "target_label": "BP-554", "cosine_similarity": 0.2997834086418152 } }, { "source": "CID:4100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "methazolamide-perindopril similarity", "source_label": "methazolamide", "target_label": "perindopril", "cosine_similarity": 0.4272595942020416 } }, { "source": "CID:3762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "isoetharine-pridinol similarity", "source_label": "isoetharine", "target_label": "pridinol", "cosine_similarity": 0.4401687979698181 } }, { "source": "CID:25262965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "AZD-8055-KU-0063794 similarity", "source_label": "AZD-8055", "target_label": "KU-0063794", "cosine_similarity": 0.9305969476699828 } }, { "source": "CID:9888030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "NNC-05-2090-GR-127935 similarity", "source_label": "NNC-05-2090", "target_label": "GR-127935", "cosine_similarity": 0.4471743404865265 } }, { "source": "CID:119031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2266", "properties": { "id": "marimastat-azelaic-acid similarity", "source_label": "marimastat", "target_label": "azelaic-acid", "cosine_similarity": 0.2826057076454162 } }, { "source": "CID:44492894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-90471-SA-89735 similarity", "source_label": "SA-90471", "target_label": "SA-89735", "cosine_similarity": 0.4219580292701721 } }, { "source": "CID:774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "histamine-diphenidol similarity", "source_label": "histamine", "target_label": "diphenidol", "cosine_similarity": 0.5040868520736694 } }, { "source": "CID:54667998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660111", "properties": { "id": "SA-1920080-SA-1459481 similarity", "source_label": "SA-1920080", "target_label": "SA-1459481", "cosine_similarity": 0.3638373613357544 } }, { "source": "CID:3448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433118", "properties": { "id": "gaboxadol-lirimilast similarity", "source_label": "gaboxadol", "target_label": "lirimilast", "cosine_similarity": 0.4209120273590088 } }, { "source": "CID:68870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "tianeptine-PP-2 similarity", "source_label": "tianeptine", "target_label": "PP-2", "cosine_similarity": 0.4173189401626587 } }, { "source": "CID:73214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "eperezolid-flavoxate similarity", "source_label": "eperezolid", "target_label": "flavoxate", "cosine_similarity": 0.4400698840618133 } }, { "source": "CID:11351021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "CYT-997-ABT-751 similarity", "source_label": "CYT-997", "target_label": "ABT-751", "cosine_similarity": 0.7946963906288147 } }, { "source": "CID:1547484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "cinnarizine-dexloxiglumide similarity", "source_label": "cinnarizine", "target_label": "dexloxiglumide", "cosine_similarity": 0.3297103345394134 } }, { "source": "CID:10398360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "3-matida-ST-209453 similarity", "source_label": "3-matida", "target_label": "ST-209453", "cosine_similarity": 0.2908090353012085 } }, { "source": "CID:16760027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "BML-259-rucaparib similarity", "source_label": "BML-259", "target_label": "rucaparib", "cosine_similarity": 0.5713344812393188 } }, { "source": "CID:44602375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "KU-C104123-CVF-SUMO-11 similarity", "source_label": "KU-C104123", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.2475043833255767 } }, { "source": "CID:5191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6780", "properties": { "id": "SDZ-205-557-anthraquinone similarity", "source_label": "SDZ-205-557", "target_label": "anthraquinone", "cosine_similarity": 0.2705605030059814 } }, { "source": "CID:1403142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "biochanin-a-MW-MITF9 similarity", "source_label": "biochanin-a", "target_label": "MW-MITF9", "cosine_similarity": 0.3206100463867187 } }, { "source": "CID:21100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5419", "properties": { "id": "metanephrine-tetryzoline similarity", "source_label": "metanephrine", "target_label": "tetryzoline", "cosine_similarity": 0.2349178493022918 } }, { "source": "CID:10109069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8433", "properties": { "id": "NS-3694-dibenzoylmethane similarity", "source_label": "NS-3694", "target_label": "dibenzoylmethane", "cosine_similarity": 0.2587533295154571 } }, { "source": "CID:9846332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "halometasone-dexamethasone similarity", "source_label": "halometasone", "target_label": "dexamethasone", "cosine_similarity": 0.3650384545326233 } }, { "source": "CID:68591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "toltrazuril-fumonisin-b1 similarity", "source_label": "toltrazuril", "target_label": "fumonisin-b1", "cosine_similarity": 0.2981402575969696 } }, { "source": "CID:9051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "dydrogesterone-SMER-28 similarity", "source_label": "dydrogesterone", "target_label": "SMER-28", "cosine_similarity": 0.2863202393054962 } }, { "source": "CID:5905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:95801", "properties": { "id": "idoxuridine-BTS similarity", "source_label": "idoxuridine", "target_label": "BTS", "cosine_similarity": 0.2616270780563354 } }, { "source": "CID:44483265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "solanine-cefixime similarity", "source_label": "solanine", "target_label": "cefixime", "cosine_similarity": 0.2714951634407043 } }, { "source": "CID:44483298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "methylprednisolone-halcinonide similarity", "source_label": "methylprednisolone", "target_label": "halcinonide", "cosine_similarity": 0.6921166777610779 } }, { "source": "CID:24180719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "PLX-4720-ZM-336372 similarity", "source_label": "PLX-4720", "target_label": "ZM-336372", "cosine_similarity": 0.4789180159568786 } }, { "source": "CID:5702166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "peruvoside-ouabain similarity", "source_label": "peruvoside", "target_label": "ouabain", "cosine_similarity": 0.3115762174129486 } }, { "source": "CID:5169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11539025", "properties": { "id": "SB-202190-LY-2228820 similarity", "source_label": "SB-202190", "target_label": "LY-2228820", "cosine_similarity": 0.3425466120243072 } }, { "source": "CID:4823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "pimobendan-vinpocetine similarity", "source_label": "pimobendan", "target_label": "vinpocetine", "cosine_similarity": 0.33633753657341 } }, { "source": "CID:71354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:168613", "properties": { "id": "bindarit-timolol similarity", "source_label": "bindarit", "target_label": "timolol", "cosine_similarity": 0.3287065327167511 } }, { "source": "CID:4601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "orphenadrine-anecortave-acetate similarity", "source_label": "orphenadrine", "target_label": "anecortave-acetate", "cosine_similarity": 0.5621365308761597 } }, { "source": "CID:11207937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3765615", "properties": { "id": "TMPH-L-152804 similarity", "source_label": "TMPH", "target_label": "L-152804", "cosine_similarity": 0.3004539310932159 } }, { "source": "CID:2293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "BAPTA-AM-I-505056 similarity", "source_label": "BAPTA-AM", "target_label": "I-505056", "cosine_similarity": 0.3043906390666961 } }, { "source": "CID:334007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "SEW-00445-DAC-009 similarity", "source_label": "SEW-00445", "target_label": "DAC-009", "cosine_similarity": 0.2850848734378814 } }, { "source": "CID:3062316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "dasatinib-fostamatinib similarity", "source_label": "dasatinib", "target_label": "fostamatinib", "cosine_similarity": 0.6285949945449829 } }, { "source": "CID:65863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "sertaconazole-lorcaserin similarity", "source_label": "sertaconazole", "target_label": "lorcaserin", "cosine_similarity": 0.3781668245792389 } }, { "source": "CID:8550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "deserpidine-RS-39604 similarity", "source_label": "deserpidine", "target_label": "RS-39604", "cosine_similarity": 0.2158495336771011 } }, { "source": "CID:11296282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287620", "properties": { "id": "DG-041-brefeldin-a similarity", "source_label": "DG-041", "target_label": "brefeldin-a", "cosine_similarity": 0.4978753924369812 } }, { "source": "CID:24800541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "delanzomib-oprozomib similarity", "source_label": "delanzomib", "target_label": "oprozomib", "cosine_similarity": 0.8753569722175598 } }, { "source": "CID:3779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "isoprenaline-A-61603 similarity", "source_label": "isoprenaline", "target_label": "A-61603", "cosine_similarity": 0.2938280403614044 } }, { "source": "CID:5311451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708769", "properties": { "id": "SR-142948-buddleoflavonoloside similarity", "source_label": "SR-142948", "target_label": "buddleoflavonoloside", "cosine_similarity": 0.2339694499969482 } }, { "source": "CID:44618204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "SD-6-035-A7-MW-MITF9 similarity", "source_label": "SD-6-035-A7", "target_label": "MW-MITF9", "cosine_similarity": 0.2571083009243011 } }, { "source": "CID:59768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918324", "properties": { "id": "esmolol-tonabersat similarity", "source_label": "esmolol", "target_label": "tonabersat", "cosine_similarity": 0.4136767387390136 } }, { "source": "CID:60185223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616599", "properties": { "id": "SA-1939079-SA-427636 similarity", "source_label": "SA-1939079", "target_label": "SA-427636", "cosine_similarity": 0.2545448243618011 } }, { "source": "CID:163844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "CGS-20625-lacosamide similarity", "source_label": "CGS-20625", "target_label": "lacosamide", "cosine_similarity": 0.5283271670341492 } }, { "source": "CID:16667713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7427", "properties": { "id": "tilmicosin-trehalose similarity", "source_label": "tilmicosin", "target_label": "trehalose", "cosine_similarity": 0.1783603578805923 } }, { "source": "CID:5335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "sulfaphenazole-amidopyrine similarity", "source_label": "sulfaphenazole", "target_label": "amidopyrine", "cosine_similarity": 0.2412178367376327 } }, { "source": "CID:386331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489338", "properties": { "id": "quercetagetin-SA-424828 similarity", "source_label": "quercetagetin", "target_label": "SA-424828", "cosine_similarity": 0.1835324168205261 } }, { "source": "CID:3579902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "KU-C103874-Gossypetin similarity", "source_label": "KU-C103874", "target_label": "Gossypetin", "cosine_similarity": 0.3645064830780029 } }, { "source": "CID:6918030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353842", "properties": { "id": "GR-32191-OBAA similarity", "source_label": "GR-32191", "target_label": "OBAA", "cosine_similarity": 0.2792383432388305 } }, { "source": "CID:148184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "ampalex-theobromine similarity", "source_label": "ampalex", "target_label": "theobromine", "cosine_similarity": 0.4490282833576202 } }, { "source": "CID:9801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54197", "properties": { "id": "prenylamine-ceftazidime similarity", "source_label": "prenylamine", "target_label": "ceftazidime", "cosine_similarity": 0.2688695788383484 } }, { "source": "CID:73707575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "MK-801-KU-C104140 similarity", "source_label": "MK-801", "target_label": "KU-C104140", "cosine_similarity": 0.2418588399887085 } }, { "source": "CID:3341", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123619", "properties": { "id": "fenoldopam-etoricoxib similarity", "source_label": "fenoldopam", "target_label": "etoricoxib", "cosine_similarity": 0.3098129332065582 } }, { "source": "CID:51049968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "BMS-927711-diazoxide similarity", "source_label": "BMS-927711", "target_label": "diazoxide", "cosine_similarity": 0.3826781511306762 } }, { "source": "CID:153005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707561", "properties": { "id": "tyramine-desmethyl-DASB similarity", "source_label": "tyramine", "target_label": "desmethyl-DASB", "cosine_similarity": 0.2674778997898102 } }, { "source": "CID:9909648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "PNU-96415E-AC-55649 similarity", "source_label": "PNU-96415E", "target_label": "AC-55649", "cosine_similarity": 0.2524188458919525 } }, { "source": "CID:9930049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "vernakalant-camostat-mesilate similarity", "source_label": "vernakalant", "target_label": "camostat-mesilate", "cosine_similarity": 0.343588650226593 } }, { "source": "CID:16351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "clotiapine-cinchophen similarity", "source_label": "clotiapine", "target_label": "cinchophen", "cosine_similarity": 0.3926563560962677 } }, { "source": "CID:5488645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "latamoxef-SA-427604 similarity", "source_label": "latamoxef", "target_label": "SA-427604", "cosine_similarity": 0.2360534220933914 } }, { "source": "CID:3324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "famciclovir-griseofulvin similarity", "source_label": "famciclovir", "target_label": "griseofulvin", "cosine_similarity": 0.4555709660053253 } }, { "source": "CID:54666592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485323", "properties": { "id": "SA-1920683-SA-86418 similarity", "source_label": "SA-1920683", "target_label": "SA-86418", "cosine_similarity": 0.2679808735847473 } }, { "source": "CID:334704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "marmesin-triprolidine similarity", "source_label": "marmesin", "target_label": "triprolidine", "cosine_similarity": 0.3049511909484863 } }, { "source": "CID:11712649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "MLN-8054-tivantinib similarity", "source_label": "MLN-8054", "target_label": "tivantinib", "cosine_similarity": 0.5342501997947693 } }, { "source": "CID:4262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16102146", "properties": { "id": "MT-21-O-2050 similarity", "source_label": "MT-21", "target_label": "O-2050", "cosine_similarity": 0.1818497776985168 } }, { "source": "CID:46172903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "VU-0418000-1-saracatinib similarity", "source_label": "VU-0418000-1", "target_label": "saracatinib", "cosine_similarity": 0.3210055828094482 } }, { "source": "CID:3354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "flavoxate-eperezolid similarity", "source_label": "flavoxate", "target_label": "eperezolid", "cosine_similarity": 0.4400698840618133 } }, { "source": "CID:104850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "rimonabant-cinoxacin similarity", "source_label": "rimonabant", "target_label": "cinoxacin", "cosine_similarity": 0.5000782012939453 } }, { "source": "CID:54654560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "SA-1473468-SA-441412 similarity", "source_label": "SA-1473468", "target_label": "SA-441412", "cosine_similarity": 0.3052202761173248 } }, { "source": "CID:5387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45358132", "properties": { "id": "telenzepine-icariin similarity", "source_label": "telenzepine", "target_label": "icariin", "cosine_similarity": 0.2936861217021942 } }, { "source": "CID:44473132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607977", "properties": { "id": "KU-C103676-KU-C104145 similarity", "source_label": "KU-C103676", "target_label": "KU-C104145", "cosine_similarity": 0.2900974154472351 } }, { "source": "CID:23930397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "heliotrine-proxyphylline similarity", "source_label": "heliotrine", "target_label": "proxyphylline", "cosine_similarity": 0.2773239016532898 } }, { "source": "CID:2236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "aristolochic-acid-dactinomycin similarity", "source_label": "aristolochic-acid", "target_label": "dactinomycin", "cosine_similarity": 0.2638435661792755 } }, { "source": "CID:675434", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "IU1-GSK-J1 similarity", "source_label": "IU1", "target_label": "GSK-J1", "cosine_similarity": 0.2521431744098663 } }, { "source": "CID:13342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2833", "properties": { "id": "vinblastine-colchicine similarity", "source_label": "vinblastine", "target_label": "colchicine", "cosine_similarity": 0.797588586807251 } }, { "source": "CID:54614984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483885", "properties": { "id": "SA-434027-SA-244237 similarity", "source_label": "SA-434027", "target_label": "SA-244237", "cosine_similarity": 0.3077815175056457 } }, { "source": "CID:10219702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "DR-2313-PT-630 similarity", "source_label": "DR-2313", "target_label": "PT-630", "cosine_similarity": 0.4972760081291199 } }, { "source": "CID:151194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3607", "properties": { "id": "vatalanib-hexetidine similarity", "source_label": "vatalanib", "target_label": "hexetidine", "cosine_similarity": 0.2198859453201294 } }, { "source": "CID:26879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "levamisole-linsidomine similarity", "source_label": "levamisole", "target_label": "linsidomine", "cosine_similarity": 0.4640454351902008 } }, { "source": "CID:4893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2196", "properties": { "id": "prazosin-aniracetam similarity", "source_label": "prazosin", "target_label": "aniracetam", "cosine_similarity": 0.279708057641983 } }, { "source": "CID:629852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "BML-257-pravastatin similarity", "source_label": "BML-257", "target_label": "pravastatin", "cosine_similarity": 0.2282135039567947 } }, { "source": "CID:11658860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "lorcaserin-dorzolamide similarity", "source_label": "lorcaserin", "target_label": "dorzolamide", "cosine_similarity": 0.5591268539428711 } }, { "source": "CID:5319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "sulfabenzamide-fumonisin-b1 similarity", "source_label": "sulfabenzamide", "target_label": "fumonisin-b1", "cosine_similarity": 0.3110863268375397 } }, { "source": "CID:67505836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6451164", "properties": { "id": "ledipasvir-rilpivirine similarity", "source_label": "ledipasvir", "target_label": "rilpivirine", "cosine_similarity": 0.277445912361145 } }, { "source": "CID:4296446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623838", "properties": { "id": "VU-0447127-2-KU-C104224 similarity", "source_label": "VU-0447127-2", "target_label": "KU-C104224", "cosine_similarity": 0.2340770959854126 } }, { "source": "CID:10385095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "MST-312-TW-37 similarity", "source_label": "MST-312", "target_label": "TW-37", "cosine_similarity": 0.4450516104698181 } }, { "source": "CID:2549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "capsazepine-SA-792709 similarity", "source_label": "capsazepine", "target_label": "SA-792709", "cosine_similarity": 0.6211010813713074 } }, { "source": "CID:46912230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "SB-2343-taselisib similarity", "source_label": "SB-2343", "target_label": "taselisib", "cosine_similarity": 0.7009773850440979 } }, { "source": "CID:2953683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280881", "properties": { "id": "MW-STK33-3B-prostaglandin-b2 similarity", "source_label": "MW-STK33-3B", "target_label": "prostaglandin-b2", "cosine_similarity": 0.2055863887071609 } }, { "source": "CID:5145950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "RS-39604-Y-134 similarity", "source_label": "RS-39604", "target_label": "Y-134", "cosine_similarity": 0.5235792398452759 } }, { "source": "CID:3747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11438771", "properties": { "id": "ipriflavone-basimglurant similarity", "source_label": "ipriflavone", "target_label": "basimglurant", "cosine_similarity": 0.2322051972150802 } }, { "source": "CID:3009355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11224409", "properties": { "id": "vicriviroc-radezolid similarity", "source_label": "vicriviroc", "target_label": "radezolid", "cosine_similarity": 0.2647493481636047 } }, { "source": "CID:132475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "GBR-13069-RS-17053 similarity", "source_label": "GBR-13069", "target_label": "RS-17053", "cosine_similarity": 0.4650114774703979 } }, { "source": "CID:11674376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "UBP-302-PT-630 similarity", "source_label": "UBP-302", "target_label": "PT-630", "cosine_similarity": 0.3301770985126495 } }, { "source": "CID:4369359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "sitagliptin-paracetamol similarity", "source_label": "sitagliptin", "target_label": "paracetamol", "cosine_similarity": 0.2860395908355713 } }, { "source": "CID:65599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34312", "properties": { "id": "lomifylline-oxcarbazepine similarity", "source_label": "lomifylline", "target_label": "oxcarbazepine", "cosine_similarity": 0.3719371557235718 } }, { "source": "CID:119584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "mosapride-gliclazide similarity", "source_label": "mosapride", "target_label": "gliclazide", "cosine_similarity": 0.3563096523284912 } }, { "source": "CID:3338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54685921", "properties": { "id": "fenipentol-hispidin similarity", "source_label": "fenipentol", "target_label": "hispidin", "cosine_similarity": 0.2175419777631759 } }, { "source": "CID:44640178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "KU-C104488-piperacillin similarity", "source_label": "KU-C104488", "target_label": "piperacillin", "cosine_similarity": 0.303482323884964 } }, { "source": "CID:3739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "adipiodone-SD-6-035-A8 similarity", "source_label": "adipiodone", "target_label": "SD-6-035-A8", "cosine_similarity": 0.3070622086524963 } }, { "source": "CID:63306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "NU-1025-DL-TBOA similarity", "source_label": "NU-1025", "target_label": "DL-TBOA", "cosine_similarity": 0.5379759073257446 } }, { "source": "CID:2176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747172", "properties": { "id": "ampiroxicam-PSH-022 similarity", "source_label": "ampiroxicam", "target_label": "PSH-022", "cosine_similarity": 0.1735302805900573 } }, { "source": "CID:44485243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "SA-85290-SA-97110 similarity", "source_label": "SA-85290", "target_label": "SA-97110", "cosine_similarity": 0.2427062094211578 } }, { "source": "CID:906542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "STK-249718-STK-397047 similarity", "source_label": "STK-249718", "target_label": "STK-397047", "cosine_similarity": 0.6961347460746765 } }, { "source": "CID:44616591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-427069-SA-417716 similarity", "source_label": "SA-427069", "target_label": "SA-417716", "cosine_similarity": 0.282160609960556 } }, { "source": "CID:10090485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "LY-2157299-dexloxiglumide similarity", "source_label": "LY-2157299", "target_label": "dexloxiglumide", "cosine_similarity": 0.3758386373519897 } }, { "source": "CID:44500308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484239", "properties": { "id": "SA-243193-SA-90153 similarity", "source_label": "SA-243193", "target_label": "SA-90153", "cosine_similarity": 0.2637182176113128 } }, { "source": "CID:5280961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "genistein-teniposide similarity", "source_label": "genistein", "target_label": "teniposide", "cosine_similarity": 0.4495538175106048 } }, { "source": "CID:115193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "isofloxythepin-dipyridamole similarity", "source_label": "isofloxythepin", "target_label": "dipyridamole", "cosine_similarity": 0.4617210626602173 } }, { "source": "CID:8369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "larixinic-acid-alpha-tocopherol similarity", "source_label": "larixinic-acid", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2721955180168152 } }, { "source": "CID:44489864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SA-424589-gliclazide similarity", "source_label": "SA-424589", "target_label": "gliclazide", "cosine_similarity": 0.3702814877033233 } }, { "source": "CID:29985980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "norgestrel-thiazolopyrimidine similarity", "source_label": "norgestrel", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3559426665306091 } }, { "source": "CID:44505769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "SA-418267-SA-1459167 similarity", "source_label": "SA-418267", "target_label": "SA-1459167", "cosine_similarity": 0.2982196807861328 } }, { "source": "CID:2819993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "P-5091-K784-3188 similarity", "source_label": "P-5091", "target_label": "K784-3188", "cosine_similarity": 0.3553062677383423 } }, { "source": "CID:24733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "alfadolone-acetate-PK-11195 similarity", "source_label": "alfadolone-acetate", "target_label": "PK-11195", "cosine_similarity": 0.2715130448341369 } }, { "source": "CID:11964036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16722836", "properties": { "id": "KU-0060648-TG-101348 similarity", "source_label": "KU-0060648", "target_label": "TG-101348", "cosine_similarity": 0.6574183702468872 } }, { "source": "CID:51371334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "idoxuridin-dideoxyadenosine similarity", "source_label": "idoxuridin", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3268264532089233 } }, { "source": "CID:44488330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504533", "properties": { "id": "SA-85148-SA-103150 similarity", "source_label": "SA-85148", "target_label": "SA-103150", "cosine_similarity": 0.4102768301963806 } }, { "source": "CID:443879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601470", "properties": { "id": "tolterodine-KUC103893N similarity", "source_label": "tolterodine", "target_label": "KUC103893N", "cosine_similarity": 0.1408998519182205 } }, { "source": "CID:4934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "propantheline-swainsonine similarity", "source_label": "propantheline", "target_label": "swainsonine", "cosine_similarity": 0.236835703253746 } }, { "source": "CID:3969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "tomelukast-rizatriptan similarity", "source_label": "tomelukast", "target_label": "rizatriptan", "cosine_similarity": 0.384392648935318 } }, { "source": "CID:24812758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "canagliflozin-AZD-7687 similarity", "source_label": "canagliflozin", "target_label": "AZD-7687", "cosine_similarity": 0.2822617888450622 } }, { "source": "CID:73707370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2803", "properties": { "id": "TUL-XVIII076-clonidine similarity", "source_label": "TUL-XVIII076", "target_label": "clonidine", "cosine_similarity": 0.2837464213371277 } }, { "source": "CID:73707395", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "rhizocarpic-acid-monocrotaline similarity", "source_label": "rhizocarpic-acid", "target_label": "monocrotaline", "cosine_similarity": 0.2278383374214172 } }, { "source": "CID:7092995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5496659", "properties": { "id": "dehydroepiandrosterone-otamixaban similarity", "source_label": "dehydroepiandrosterone", "target_label": "otamixaban", "cosine_similarity": 0.3219374120235443 } }, { "source": "CID:46848036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "flumatinib-cabozantinib similarity", "source_label": "flumatinib", "target_label": "cabozantinib", "cosine_similarity": 0.4147858619689941 } }, { "source": "CID:73707346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "pyrvinium-rhodomyrtoxin-b similarity", "source_label": "pyrvinium", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.5301136374473572 } }, { "source": "CID:44295709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658965", "properties": { "id": "RTI-55-SA-1456352 similarity", "source_label": "RTI-55", "target_label": "SA-1456352", "cosine_similarity": 0.1718808263540268 } }, { "source": "CID:3825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061509", "properties": { "id": "ketoprofen-bavisant similarity", "source_label": "ketoprofen", "target_label": "bavisant", "cosine_similarity": 0.3102781772613525 } }, { "source": "CID:336423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "TIC-10-dorzolamide similarity", "source_label": "TIC-10", "target_label": "dorzolamide", "cosine_similarity": 0.3845235407352447 } }, { "source": "CID:123619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "etoricoxib-ripasudil similarity", "source_label": "etoricoxib", "target_label": "ripasudil", "cosine_similarity": 0.5008811950683594 } }, { "source": "CID:23760717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CA-074-Me-EMF-sumo1-39 similarity", "source_label": "CA-074-Me", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.5773859024047852 } }, { "source": "CID:2318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2895", "properties": { "id": "benfluorex-cyclobenzaprine similarity", "source_label": "benfluorex", "target_label": "cyclobenzaprine", "cosine_similarity": 0.3610356450080871 } }, { "source": "CID:25051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65028", "properties": { "id": "cyclocytidine-oseltamivir-phosphate similarity", "source_label": "cyclocytidine", "target_label": "oseltamivir-phosphate", "cosine_similarity": 0.1848708242177963 } }, { "source": "CID:445319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "S-isopropylisothiourea-DMNB similarity", "source_label": "S-isopropylisothiourea", "target_label": "DMNB", "cosine_similarity": 0.6633105278015137 } }, { "source": "CID:1858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "6-chloromelatonin-A-61603 similarity", "source_label": "6-chloromelatonin", "target_label": "A-61603", "cosine_similarity": 0.4433874189853668 } }, { "source": "CID:21109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57335384", "properties": { "id": "trimetazidine-rociletinib similarity", "source_label": "trimetazidine", "target_label": "rociletinib", "cosine_similarity": 0.2338870614767074 } }, { "source": "CID:2122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "altizide-pipenzolate similarity", "source_label": "altizide", "target_label": "pipenzolate", "cosine_similarity": 0.2400067299604416 } }, { "source": "CID:54666597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1920890-SA-84905 similarity", "source_label": "SA-1920890", "target_label": "SA-84905", "cosine_similarity": 0.2290033549070358 } }, { "source": "CID:656665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1403142", "properties": { "id": "tropisetron-biochanin-a similarity", "source_label": "tropisetron", "target_label": "biochanin-a", "cosine_similarity": 0.2991082668304443 } }, { "source": "CID:34870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "amineptine-nateglinide similarity", "source_label": "amineptine", "target_label": "nateglinide", "cosine_similarity": 0.4286208152770996 } }, { "source": "CID:46907798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "EMF-BCA1-64-cabozantinib similarity", "source_label": "EMF-BCA1-64", "target_label": "cabozantinib", "cosine_similarity": 0.3852905333042145 } }, { "source": "CID:20054848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "bietaserpine-terfenadine similarity", "source_label": "bietaserpine", "target_label": "terfenadine", "cosine_similarity": 0.2319107353687286 } }, { "source": "CID:5908088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "oxindole-I-bithionol similarity", "source_label": "oxindole-I", "target_label": "bithionol", "cosine_similarity": 0.2792029976844787 } }, { "source": "CID:3696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "imipramine-CAY-10594 similarity", "source_label": "imipramine", "target_label": "CAY-10594", "cosine_similarity": 0.4713495075702667 } }, { "source": "CID:72199292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "ETP-46464-NVP-BEZ235 similarity", "source_label": "ETP-46464", "target_label": "NVP-BEZ235", "cosine_similarity": 0.4895040094852447 } }, { "source": "CID:9850876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2895", "properties": { "id": "SR-33805-cyclobenzaprine similarity", "source_label": "SR-33805", "target_label": "cyclobenzaprine", "cosine_similarity": 0.4243680834770202 } }, { "source": "CID:9687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "bucladesine-clofibric-acid similarity", "source_label": "bucladesine", "target_label": "clofibric-acid", "cosine_similarity": 0.4748925268650055 } }, { "source": "CID:44907120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44907115", "properties": { "id": "VU-0413243-1-VU-0413238-1 similarity", "source_label": "VU-0413243-1", "target_label": "VU-0413238-1", "cosine_similarity": 0.2899823486804962 } }, { "source": "CID:54655704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46883536", "properties": { "id": "SA-1462738-avagacestat similarity", "source_label": "SA-1462738", "target_label": "avagacestat", "cosine_similarity": 0.2523622810840606 } }, { "source": "CID:9956222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "YM-201636-STA-5326 similarity", "source_label": "YM-201636", "target_label": "STA-5326", "cosine_similarity": 0.4553586840629577 } }, { "source": "CID:681615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119192", "properties": { "id": "KDM-096-SR-48692 similarity", "source_label": "KDM-096", "target_label": "SR-48692", "cosine_similarity": 0.216118112206459 } }, { "source": "CID:2170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "amoxapine-histamine similarity", "source_label": "amoxapine", "target_label": "histamine", "cosine_similarity": 0.5216500759124756 } }, { "source": "CID:2757979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353685", "properties": { "id": "2-cyanopyrimidine-I-OMe-AG-538 similarity", "source_label": "2-cyanopyrimidine", "target_label": "I-OMe-AG-538", "cosine_similarity": 0.1614054143428802 } }, { "source": "CID:71360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "iloperidone-imatinib similarity", "source_label": "iloperidone", "target_label": "imatinib", "cosine_similarity": 0.3055032193660736 } }, { "source": "CID:57782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:89594", "properties": { "id": "lisofylline-nicotine similarity", "source_label": "lisofylline", "target_label": "nicotine", "cosine_similarity": 0.3110296726226806 } }, { "source": "CID:5593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "tropicamide-PT-630 similarity", "source_label": "tropicamide", "target_label": "PT-630", "cosine_similarity": 0.3152893483638763 } }, { "source": "CID:5059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "REV-5901-lacosamide similarity", "source_label": "REV-5901", "target_label": "lacosamide", "cosine_similarity": 0.4888418912887573 } }, { "source": "CID:3156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "doxapram-tecastemizole similarity", "source_label": "doxapram", "target_label": "tecastemizole", "cosine_similarity": 0.3134789764881134 } }, { "source": "CID:9875401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "rivaroxaban-diazoxide similarity", "source_label": "rivaroxaban", "target_label": "diazoxide", "cosine_similarity": 0.4979850649833679 } }, { "source": "CID:667484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3902", "properties": { "id": "etomidate-letrozole similarity", "source_label": "etomidate", "target_label": "letrozole", "cosine_similarity": 0.4412643611431122 } }, { "source": "CID:1794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4780", "properties": { "id": "hexamethyleneamiloride-1-phenylbiguanide similarity", "source_label": "hexamethyleneamiloride", "target_label": "1-phenylbiguanide", "cosine_similarity": 0.2264332473278045 } }, { "source": "CID:5280335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:906542", "properties": { "id": "sphingosine-STK-249718 similarity", "source_label": "sphingosine", "target_label": "STK-249718", "cosine_similarity": 0.2613722681999206 } }, { "source": "CID:10366136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11655119", "properties": { "id": "crenolanib-LY-2109761 similarity", "source_label": "crenolanib", "target_label": "LY-2109761", "cosine_similarity": 0.2729881107807159 } }, { "source": "CID:5593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "tropicamide-DAC-004 similarity", "source_label": "tropicamide", "target_label": "DAC-004", "cosine_similarity": 0.2776022255420685 } }, { "source": "CID:24776445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "vismodegib-ibutamoren similarity", "source_label": "vismodegib", "target_label": "ibutamoren", "cosine_similarity": 0.4721094369888305 } }, { "source": "CID:46843906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "XMD-1150-OTX-015 similarity", "source_label": "XMD-1150", "target_label": "OTX-015", "cosine_similarity": 0.6914514303207397 } }, { "source": "CID:64971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122335", "properties": { "id": "betulinic-acid-efaproxiral similarity", "source_label": "betulinic-acid", "target_label": "efaproxiral", "cosine_similarity": 0.4198046922683716 } }, { "source": "CID:3352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "fipronil-roquinimex similarity", "source_label": "fipronil", "target_label": "roquinimex", "cosine_similarity": 0.3438830971717834 } }, { "source": "CID:107967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "FK-888-clofibric-acid similarity", "source_label": "FK-888", "target_label": "clofibric-acid", "cosine_similarity": 0.4292380511760711 } }, { "source": "CID:5153532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1021-BML-210 similarity", "source_label": "BG-1021", "target_label": "BML-210", "cosine_similarity": 0.2700358033180237 } }, { "source": "CID:2130404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "AGK-2-AC-55649 similarity", "source_label": "AGK-2", "target_label": "AC-55649", "cosine_similarity": 0.3958482146263122 } }, { "source": "CID:2327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5036604", "properties": { "id": "benserazide-eugenitol similarity", "source_label": "benserazide", "target_label": "eugenitol", "cosine_similarity": 0.2470874935388565 } }, { "source": "CID:5311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "vorinostat-dacinostat similarity", "source_label": "vorinostat", "target_label": "dacinostat", "cosine_similarity": 0.933933675289154 } }, { "source": "CID:5917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "pentylenetetrazol-bucladesine similarity", "source_label": "pentylenetetrazol", "target_label": "bucladesine", "cosine_similarity": 0.2903205454349518 } }, { "source": "CID:10184653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11511120", "properties": { "id": "afatinib-dacomitinib similarity", "source_label": "afatinib", "target_label": "dacomitinib", "cosine_similarity": 0.565092146396637 } }, { "source": "CID:2099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6597", "properties": { "id": "alosetron-dichloroacetic-acid similarity", "source_label": "alosetron", "target_label": "dichloroacetic-acid", "cosine_similarity": 0.3889011740684509 } }, { "source": "CID:5328940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369491", "properties": { "id": "bosutinib-PD-407824 similarity", "source_label": "bosutinib", "target_label": "PD-407824", "cosine_similarity": 0.5230044722557068 } }, { "source": "CID:3033818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71310", "properties": { "id": "dolasetron-atipamezole similarity", "source_label": "dolasetron", "target_label": "atipamezole", "cosine_similarity": 0.3446954488754272 } }, { "source": "CID:204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "allantoin-molsidomine similarity", "source_label": "allantoin", "target_label": "molsidomine", "cosine_similarity": 0.3592126965522766 } }, { "source": "CID:122150", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3652", "properties": { "id": "saclofen-hydroxychloroquine similarity", "source_label": "saclofen", "target_label": "hydroxychloroquine", "cosine_similarity": 0.2819064557552337 } }, { "source": "CID:4764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "phenolphthalein-amikacin similarity", "source_label": "phenolphthalein", "target_label": "amikacin", "cosine_similarity": 0.4592236876487732 } }, { "source": "CID:3352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "fipronil-dipyridamole similarity", "source_label": "fipronil", "target_label": "dipyridamole", "cosine_similarity": 0.352902889251709 } }, { "source": "CID:3352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "fipronil-pyrazinoylguanidine similarity", "source_label": "fipronil", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.3526792824268341 } }, { "source": "CID:45489406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708716", "properties": { "id": "VU-0415535-1-catechin similarity", "source_label": "VU-0415535-1", "target_label": "catechin", "cosine_similarity": 0.2304064780473709 } }, { "source": "CID:57369718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "vecuronium-thiazolopyrimidine similarity", "source_label": "vecuronium", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3560663163661957 } }, { "source": "CID:135688221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135976680", "properties": { "id": "AT-CSC-07-BIX-02188 similarity", "source_label": "AT-CSC-07", "target_label": "BIX-02188", "cosine_similarity": 0.2281942218542099 } }, { "source": "CID:2949965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609586", "properties": { "id": "importazole-serdemetan similarity", "source_label": "importazole", "target_label": "serdemetan", "cosine_similarity": 0.5953064560890198 } }, { "source": "CID:387447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "bortezomib-BNTX similarity", "source_label": "bortezomib", "target_label": "BNTX", "cosine_similarity": 0.5950801372528076 } }, { "source": "CID:34677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747209", "properties": { "id": "2-aminotetralin-PSH-012 similarity", "source_label": "2-aminotetralin", "target_label": "PSH-012", "cosine_similarity": 0.1898438036441803 } }, { "source": "CID:17754438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "PF-04217903-FTI-276 similarity", "source_label": "PF-04217903", "target_label": "FTI-276", "cosine_similarity": 0.4425951540470123 } }, { "source": "CID:15604015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610273", "properties": { "id": "ABC-294640-C2-dihydroceramide similarity", "source_label": "ABC-294640", "target_label": "C2-dihydroceramide", "cosine_similarity": 0.4155714511871338 } }, { "source": "CID:73707530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "QL-X-138-OSI-027 similarity", "source_label": "QL-X-138", "target_label": "OSI-027", "cosine_similarity": 0.6764628887176514 } }, { "source": "CID:24747274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13927312", "properties": { "id": "JAS07-003-KU-C103443N similarity", "source_label": "JAS07-003", "target_label": "KU-C103443N", "cosine_similarity": 0.2288057059049606 } }, { "source": "CID:11210285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "BML-284-FCCP similarity", "source_label": "BML-284", "target_label": "FCCP", "cosine_similarity": 0.4325747191905975 } }, { "source": "CID:11597537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9867642", "properties": { "id": "CC-930-laropiprant similarity", "source_label": "CC-930", "target_label": "laropiprant", "cosine_similarity": 0.3597790002822876 } }, { "source": "CID:53708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "enoximone-pemetrexed similarity", "source_label": "enoximone", "target_label": "pemetrexed", "cosine_similarity": 0.227338895201683 } }, { "source": "CID:2794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "clofazimine-ABT-737 similarity", "source_label": "clofazimine", "target_label": "ABT-737", "cosine_similarity": 0.338093638420105 } }, { "source": "CID:11154555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "cariprazine-perindopril similarity", "source_label": "cariprazine", "target_label": "perindopril", "cosine_similarity": 0.3206909596920013 } }, { "source": "CID:2391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "bisacodyl-cinobufagin similarity", "source_label": "bisacodyl", "target_label": "cinobufagin", "cosine_similarity": 0.5263146162033081 } }, { "source": "CID:6124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "dimethylnitrosamine-DAC-012 similarity", "source_label": "dimethylnitrosamine", "target_label": "DAC-012", "cosine_similarity": 0.2389159947633743 } }, { "source": "CID:24747196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "PSH-025-quinethazone similarity", "source_label": "PSH-025", "target_label": "quinethazone", "cosine_similarity": 0.2490214705467224 } }, { "source": "CID:4810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4520732", "properties": { "id": "moxonidine-BU-239 similarity", "source_label": "moxonidine", "target_label": "BU-239", "cosine_similarity": 0.3568227887153625 } }, { "source": "CID:71714682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "K-145-NSC-95397 similarity", "source_label": "K-145", "target_label": "NSC-95397", "cosine_similarity": 0.2935769855976105 } }, { "source": "CID:23817954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "josamycin-nateglinide similarity", "source_label": "josamycin", "target_label": "nateglinide", "cosine_similarity": 0.2951994836330414 } }, { "source": "CID:4104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "methimazole-anecortave-acetate similarity", "source_label": "methimazole", "target_label": "anecortave-acetate", "cosine_similarity": 0.5200536847114563 } }, { "source": "CID:45006121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5359", "properties": { "id": "lacitol-suprofen similarity", "source_label": "lacitol", "target_label": "suprofen", "cosine_similarity": 0.3250699043273926 } }, { "source": "CID:3822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "ketanserin-lersivirine similarity", "source_label": "ketanserin", "target_label": "lersivirine", "cosine_similarity": 0.3651613295078277 } }, { "source": "CID:447713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "fexaramine-DC-45-A2 similarity", "source_label": "fexaramine", "target_label": "DC-45-A2", "cosine_similarity": 0.2194147258996963 } }, { "source": "CID:2749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "ciclopirox-TW-37 similarity", "source_label": "ciclopirox", "target_label": "TW-37", "cosine_similarity": 0.6480472683906555 } }, { "source": "CID:448042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "Y-27632-TAK-715 similarity", "source_label": "Y-27632", "target_label": "TAK-715", "cosine_similarity": 0.4261265397071838 } }, { "source": "CID:175540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "atenolol-2-phenylmelatonin similarity", "source_label": "atenolol", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.3469688892364502 } }, { "source": "CID:3467177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6337614", "properties": { "id": "DH-97-palonosetron similarity", "source_label": "DH-97", "target_label": "palonosetron", "cosine_similarity": 0.1675008237361908 } }, { "source": "CID:15459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033637", "properties": { "id": "metaxalone-nizatidine similarity", "source_label": "metaxalone", "target_label": "nizatidine", "cosine_similarity": 0.2600814998149872 } }, { "source": "CID:107935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "deguelin-PF-3845 similarity", "source_label": "deguelin", "target_label": "PF-3845", "cosine_similarity": 0.4131942689418793 } }, { "source": "CID:5458428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "cytochalasin-d-PI-828 similarity", "source_label": "cytochalasin-d", "target_label": "PI-828", "cosine_similarity": 0.3889396786689758 } }, { "source": "CID:6435415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "cilastatin-fumonisin-b1 similarity", "source_label": "cilastatin", "target_label": "fumonisin-b1", "cosine_similarity": 0.309158980846405 } }, { "source": "CID:10200390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "BAY-61-3606-AG-14361 similarity", "source_label": "BAY-61-3606", "target_label": "AG-14361", "cosine_similarity": 0.5609198808670044 } }, { "source": "CID:123767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "norketamine-selinidin similarity", "source_label": "norketamine", "target_label": "selinidin", "cosine_similarity": 0.2765350937843323 } }, { "source": "CID:9924495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "perampanel-delanzomib similarity", "source_label": "perampanel", "target_label": "delanzomib", "cosine_similarity": 0.493971973657608 } }, { "source": "CID:34633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "moracizine-oxatomide similarity", "source_label": "moracizine", "target_label": "oxatomide", "cosine_similarity": 0.3718450963497162 } }, { "source": "CID:68210102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "GSK-2816126-imiloxan similarity", "source_label": "GSK-2816126", "target_label": "imiloxan", "cosine_similarity": 0.4396625161170959 } }, { "source": "CID:25099184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "AZ-960-R-547 similarity", "source_label": "AZ-960", "target_label": "R-547", "cosine_similarity": 0.3986154496669769 } }, { "source": "CID:12801781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6473767", "properties": { "id": "imipenem-picrotoxin similarity", "source_label": "imipenem", "target_label": "picrotoxin", "cosine_similarity": 0.2199329137802124 } }, { "source": "CID:992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "pentachlorophenol-I-606061 similarity", "source_label": "pentachlorophenol", "target_label": "I-606061", "cosine_similarity": 0.2390451431274414 } }, { "source": "CID:3117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "disulfiram-withaferin-a similarity", "source_label": "disulfiram", "target_label": "withaferin-a", "cosine_similarity": 0.5825015902519226 } }, { "source": "CID:7427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "trehalose-apocynin similarity", "source_label": "trehalose", "target_label": "apocynin", "cosine_similarity": 0.6358270049095154 } }, { "source": "CID:9816959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "CO-102862-mirtazapine similarity", "source_label": "CO-102862", "target_label": "mirtazapine", "cosine_similarity": 0.4363259375095367 } }, { "source": "CID:73707408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13013971", "properties": { "id": "megestrol-depomedrol similarity", "source_label": "megestrol", "target_label": "depomedrol", "cosine_similarity": 0.2088201344013214 } }, { "source": "CID:39042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "bezafibrate-lorcaserin similarity", "source_label": "bezafibrate", "target_label": "lorcaserin", "cosine_similarity": 0.4644367694854736 } }, { "source": "CID:121930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282451", "properties": { "id": "LY-165163-pitavastatin similarity", "source_label": "LY-165163", "target_label": "pitavastatin", "cosine_similarity": 0.2883886992931366 } }, { "source": "CID:6736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "skatole-roscovitine similarity", "source_label": "skatole", "target_label": "roscovitine", "cosine_similarity": 0.2249214053153991 } }, { "source": "CID:44488994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483977", "properties": { "id": "SA-89068-DM-55-3 similarity", "source_label": "SA-89068", "target_label": "DM-55-3", "cosine_similarity": 0.3405216038227081 } }, { "source": "CID:10125107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49835860", "properties": { "id": "lawsone-ST-4062971 similarity", "source_label": "lawsone", "target_label": "ST-4062971", "cosine_similarity": 0.205120176076889 } }, { "source": "CID:27400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "pizotifen-thioridazine similarity", "source_label": "pizotifen", "target_label": "thioridazine", "cosine_similarity": 0.361440509557724 } }, { "source": "CID:54676535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107930", "properties": { "id": "scandenin-ecopipam similarity", "source_label": "scandenin", "target_label": "ecopipam", "cosine_similarity": 0.1999412328004837 } }, { "source": "CID:24856224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "FU-JMBII113B-benzbromarone similarity", "source_label": "FU-JMBII113B", "target_label": "benzbromarone", "cosine_similarity": 0.2621131837368011 } }, { "source": "CID:13711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275777", "properties": { "id": "torcitabine-betrixaban similarity", "source_label": "torcitabine", "target_label": "betrixaban", "cosine_similarity": 0.3482017815113067 } }, { "source": "CID:1979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669462", "properties": { "id": "aceclidine-SA-1922796 similarity", "source_label": "aceclidine", "target_label": "SA-1922796", "cosine_similarity": 0.2572498023509979 } }, { "source": "CID:5152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "salmeterol-vandetanib similarity", "source_label": "salmeterol", "target_label": "vandetanib", "cosine_similarity": 0.6657566428184509 } }, { "source": "CID:3896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "lavendustin-c-MW-MITF28 similarity", "source_label": "lavendustin-c", "target_label": "MW-MITF28", "cosine_similarity": 0.2568136155605316 } }, { "source": "CID:12124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "metacetamol-amidopyrine similarity", "source_label": "metacetamol", "target_label": "amidopyrine", "cosine_similarity": 0.5290606617927551 } }, { "source": "CID:3083928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "fraxidin-estropipate similarity", "source_label": "fraxidin", "target_label": "estropipate", "cosine_similarity": 0.2457398176193237 } }, { "source": "CID:3156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6913176", "properties": { "id": "doxapram-NXY-059 similarity", "source_label": "doxapram", "target_label": "NXY-059", "cosine_similarity": 0.2925025224685669 } }, { "source": "CID:11249248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "BMS-299897-FTI-276 similarity", "source_label": "BMS-299897", "target_label": "FTI-276", "cosine_similarity": 0.3726547658443451 } }, { "source": "CID:54666568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44508028", "properties": { "id": "SA-1919584-SA-247582 similarity", "source_label": "SA-1919584", "target_label": "SA-247582", "cosine_similarity": 0.2869457304477691 } }, { "source": "CID:56973724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "AZ-3146-anisomycin similarity", "source_label": "AZ-3146", "target_label": "anisomycin", "cosine_similarity": 0.266343355178833 } }, { "source": "CID:108137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "SCH-28080-saxagliptin similarity", "source_label": "SCH-28080", "target_label": "saxagliptin", "cosine_similarity": 0.414893239736557 } }, { "source": "CID:10228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "osthol-SGX-523 similarity", "source_label": "osthol", "target_label": "SGX-523", "cosine_similarity": 0.2061366140842437 } }, { "source": "CID:53001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "dazoxiben-bicalutamide similarity", "source_label": "dazoxiben", "target_label": "bicalutamide", "cosine_similarity": 0.4417714178562164 } }, { "source": "CID:5284627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "topiramate-ICI-162846 similarity", "source_label": "topiramate", "target_label": "ICI-162846", "cosine_similarity": 0.5508617758750916 } }, { "source": "CID:2720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5906", "properties": { "id": "chlorothiazide-metaraminol similarity", "source_label": "chlorothiazide", "target_label": "metaraminol", "cosine_similarity": 0.163533940911293 } }, { "source": "CID:73707385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "TL-AA09-carbamazepine similarity", "source_label": "TL-AA09", "target_label": "carbamazepine", "cosine_similarity": 0.3504668474197387 } }, { "source": "CID:310557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "EXO-1-fatostatin similarity", "source_label": "EXO-1", "target_label": "fatostatin", "cosine_similarity": 0.3334786295890808 } }, { "source": "CID:1548953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "clomifene-ceritinib similarity", "source_label": "clomifene", "target_label": "ceritinib", "cosine_similarity": 0.5146125555038452 } }, { "source": "CID:13765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281071", "properties": { "id": "ethylestrenol-olopatadine similarity", "source_label": "ethylestrenol", "target_label": "olopatadine", "cosine_similarity": 0.2439127266407013 } }, { "source": "CID:63306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "NU-1025-fumonisin-b1 similarity", "source_label": "NU-1025", "target_label": "fumonisin-b1", "cosine_similarity": 0.5384339094161987 } }, { "source": "CID:691928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "ST-4029655-GW-1929 similarity", "source_label": "ST-4029655", "target_label": "GW-1929", "cosine_similarity": 0.2984739542007446 } }, { "source": "CID:54658117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494528", "properties": { "id": "SA-1457810-SA-424763 similarity", "source_label": "SA-1457810", "target_label": "SA-424763", "cosine_similarity": 0.288291871547699 } }, { "source": "CID:47472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "butoconazole-levocabastine similarity", "source_label": "butoconazole", "target_label": "levocabastine", "cosine_similarity": 0.3212920427322387 } }, { "source": "CID:3290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "profenamine-GR-127935 similarity", "source_label": "profenamine", "target_label": "GR-127935", "cosine_similarity": 0.3593008518218994 } }, { "source": "CID:2930014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "K-858-chelidonine similarity", "source_label": "K-858", "target_label": "chelidonine", "cosine_similarity": 0.602516770362854 } }, { "source": "CID:44483336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "fluticasone-fluticasone-propionate similarity", "source_label": "fluticasone", "target_label": "fluticasone-propionate", "cosine_similarity": 0.4199101328849792 } }, { "source": "CID:494471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "methyllycaconitine-thalidomide similarity", "source_label": "methyllycaconitine", "target_label": "thalidomide", "cosine_similarity": 0.2715502083301544 } }, { "source": "CID:24747179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65373", "properties": { "id": "PSH-003-secoisolariciresinol similarity", "source_label": "PSH-003", "target_label": "secoisolariciresinol", "cosine_similarity": 0.3588021099567413 } }, { "source": "CID:44483253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "cyclopiazonic-acid-AG-592 similarity", "source_label": "cyclopiazonic-acid", "target_label": "AG-592", "cosine_similarity": 0.3844409584999084 } }, { "source": "CID:44616686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666790", "properties": { "id": "SA-441487-SA-1919918 similarity", "source_label": "SA-441487", "target_label": "SA-1919918", "cosine_similarity": 0.3188611567020416 } }, { "source": "CID:42617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4761", "properties": { "id": "clavulanic-acid-pheniramine similarity", "source_label": "clavulanic-acid", "target_label": "pheniramine", "cosine_similarity": 0.228268414735794 } }, { "source": "CID:71157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9869929", "properties": { "id": "nefiracetam-avanafil similarity", "source_label": "nefiracetam", "target_label": "avanafil", "cosine_similarity": 0.3864716589450836 } }, { "source": "CID:44498015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659991", "properties": { "id": "SA-97110-SA-1456576 similarity", "source_label": "SA-97110", "target_label": "SA-1456576", "cosine_similarity": 0.3482206761837005 } }, { "source": "CID:64715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "mevastatin-NTNCB similarity", "source_label": "mevastatin", "target_label": "NTNCB", "cosine_similarity": 0.4522659480571747 } }, { "source": "CID:9893887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "L-368899-NTNCB similarity", "source_label": "L-368899", "target_label": "NTNCB", "cosine_similarity": 0.3539337813854217 } }, { "source": "CID:897475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "ARG-CSC-81-pepstatin similarity", "source_label": "ARG-CSC-81", "target_label": "pepstatin", "cosine_similarity": 0.4708961546421051 } }, { "source": "CID:15376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "vincamine-aspirin similarity", "source_label": "vincamine", "target_label": "aspirin", "cosine_similarity": 0.3596158027648926 } }, { "source": "CID:8357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "eudesmic-acid-MW-MITF9 similarity", "source_label": "eudesmic-acid", "target_label": "MW-MITF9", "cosine_similarity": 0.2852638661861419 } }, { "source": "CID:441290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66265", "properties": { "id": "rocuronium-dexfenfluramine similarity", "source_label": "rocuronium", "target_label": "dexfenfluramine", "cosine_similarity": 0.5098318457603455 } }, { "source": "CID:129228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53387035", "properties": { "id": "rufinamide-LCQ-908 similarity", "source_label": "rufinamide", "target_label": "LCQ-908", "cosine_similarity": 0.3265258371829986 } }, { "source": "CID:5284550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2478", "properties": { "id": "dosulepin-busulfan similarity", "source_label": "dosulepin", "target_label": "busulfan", "cosine_similarity": 0.2545031309127807 } }, { "source": "CID:11689883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107751", "properties": { "id": "omecamtiv-mecarbil-racecadotril similarity", "source_label": "omecamtiv-mecarbil", "target_label": "racecadotril", "cosine_similarity": 0.3667818903923034 } }, { "source": "CID:123879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1978", "properties": { "id": "ramatroban-acebutolol similarity", "source_label": "ramatroban", "target_label": "acebutolol", "cosine_similarity": 0.3203188180923462 } }, { "source": "CID:2834356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ST-003833-gossypin similarity", "source_label": "ST-003833", "target_label": "gossypin", "cosine_similarity": 0.2314957678318023 } }, { "source": "CID:24770514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39042", "properties": { "id": "CPI-613-bezafibrate similarity", "source_label": "CPI-613", "target_label": "bezafibrate", "cosine_similarity": 0.4324594140052795 } }, { "source": "CID:72124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "siguazodan-clofibric-acid similarity", "source_label": "siguazodan", "target_label": "clofibric-acid", "cosine_similarity": 0.3477378487586975 } }, { "source": "CID:127861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "BMY-45778-EMF-sumo1-39 similarity", "source_label": "BMY-45778", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.500310480594635 } }, { "source": "CID:2717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "chlormezanone-bucladesine similarity", "source_label": "chlormezanone", "target_label": "bucladesine", "cosine_similarity": 0.3780733048915863 } }, { "source": "CID:2453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123606", "properties": { "id": "broxyquinoline-almotriptan similarity", "source_label": "broxyquinoline", "target_label": "almotriptan", "cosine_similarity": 0.3645650446414947 } }, { "source": "CID:34521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3276", "properties": { "id": "toloxatone-etanidazole similarity", "source_label": "toloxatone", "target_label": "etanidazole", "cosine_similarity": 0.1798570603132248 } }, { "source": "CID:9865652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707593", "properties": { "id": "IDAM-JMV-431 similarity", "source_label": "IDAM", "target_label": "JMV-431", "cosine_similarity": 0.2134493887424469 } }, { "source": "CID:25151504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "cobicistat-sulpiride similarity", "source_label": "cobicistat", "target_label": "sulpiride", "cosine_similarity": 0.4050839245319366 } }, { "source": "CID:46926575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:800654", "properties": { "id": "MW-A1-14-ARG-A1-22 similarity", "source_label": "MW-A1-14", "target_label": "ARG-A1-22", "cosine_similarity": 0.2319228053092956 } }, { "source": "CID:91654625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56949517", "properties": { "id": "BAZ2-ICR-GSK-2636771 similarity", "source_label": "BAZ2-ICR", "target_label": "GSK-2636771", "cosine_similarity": 0.278176486492157 } }, { "source": "CID:4601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220172", "properties": { "id": "orphenadrine-ivacaftor similarity", "source_label": "orphenadrine", "target_label": "ivacaftor", "cosine_similarity": 0.4292671680450439 } }, { "source": "CID:108046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "BMY-14802-cefepime similarity", "source_label": "BMY-14802", "target_label": "cefepime", "cosine_similarity": 0.4576614797115326 } }, { "source": "CID:2785467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "ARG-A1-2-NSC-95397 similarity", "source_label": "ARG-A1-2", "target_label": "NSC-95397", "cosine_similarity": 0.3708123564720154 } }, { "source": "CID:6473767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10330240", "properties": { "id": "picrotoxin-VUF-5681 similarity", "source_label": "picrotoxin", "target_label": "VUF-5681", "cosine_similarity": 0.2509901821613312 } }, { "source": "CID:11552706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "losmapimod-valsartan similarity", "source_label": "losmapimod", "target_label": "valsartan", "cosine_similarity": 0.408193439245224 } }, { "source": "CID:65057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "diphencyprone-EMF-sumo1-39 similarity", "source_label": "diphencyprone", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4551418125629425 } }, { "source": "CID:129211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "tamsulosin-tibolone similarity", "source_label": "tamsulosin", "target_label": "tibolone", "cosine_similarity": 0.3751589357852936 } }, { "source": "CID:10461508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "volasertib-HMN-214 similarity", "source_label": "volasertib", "target_label": "HMN-214", "cosine_similarity": 0.638023853302002 } }, { "source": "CID:9862248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:78357816", "properties": { "id": "sobetirome-VT-464 similarity", "source_label": "sobetirome", "target_label": "VT-464", "cosine_similarity": 0.3009683489799499 } }, { "source": "CID:73707400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484225", "properties": { "id": "SA-1460136-SA-90030 similarity", "source_label": "SA-1460136", "target_label": "SA-90030", "cosine_similarity": 0.3231045305728912 } }, { "source": "CID:11683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702069", "properties": { "id": "megestrol-acetate-hydrocortisone-hemisuccinate similarity", "source_label": "megestrol-acetate", "target_label": "hydrocortisone-hemisuccinate", "cosine_similarity": 0.2338838130235672 } }, { "source": "CID:2183264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133076", "properties": { "id": "MW-STK33-3A-RS-67506 similarity", "source_label": "MW-STK33-3A", "target_label": "RS-67506", "cosine_similarity": 0.230698212981224 } }, { "source": "CID:4712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "PD-169316-Gossypetin similarity", "source_label": "PD-169316", "target_label": "Gossypetin", "cosine_similarity": 0.3166949450969696 } }, { "source": "CID:10206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "cepharanthine-STA-5326 similarity", "source_label": "cepharanthine", "target_label": "STA-5326", "cosine_similarity": 0.481824666261673 } }, { "source": "CID:65997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12560", "properties": { "id": "lerisetron-erythromycin similarity", "source_label": "lerisetron", "target_label": "erythromycin", "cosine_similarity": 0.2961445748806 } }, { "source": "CID:108001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "dihydroxyphenylglycine-gabexate similarity", "source_label": "dihydroxyphenylglycine", "target_label": "gabexate", "cosine_similarity": 0.3290103375911712 } }, { "source": "CID:135565181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50248", "properties": { "id": "IOWH-032-triclabendazole similarity", "source_label": "IOWH-032", "target_label": "triclabendazole", "cosine_similarity": 0.2776480615139007 } }, { "source": "CID:2318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "benfluorex-castanospermine similarity", "source_label": "benfluorex", "target_label": "castanospermine", "cosine_similarity": 0.3683792352676391 } }, { "source": "CID:72947407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "MD-049-RS-I-002-6 similarity", "source_label": "MD-049", "target_label": "RS-I-002-6", "cosine_similarity": 0.7370021939277649 } }, { "source": "CID:4565183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "gangaleoidin-idelalisib similarity", "source_label": "gangaleoidin", "target_label": "idelalisib", "cosine_similarity": 0.3764530718326568 } }, { "source": "CID:10251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "flavanone-diethylcarbamazine similarity", "source_label": "flavanone", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3066388368606567 } }, { "source": "CID:462382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "MG-132-BNTX similarity", "source_label": "MG-132", "target_label": "BNTX", "cosine_similarity": 0.6652866005897522 } }, { "source": "CID:3961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "losartan-DL-TBOA similarity", "source_label": "losartan", "target_label": "DL-TBOA", "cosine_similarity": 0.5551940202713013 } }, { "source": "CID:11609955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "resminostat-PCI-24781 similarity", "source_label": "resminostat", "target_label": "PCI-24781", "cosine_similarity": 0.7711501717567444 } }, { "source": "CID:446378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "thapsigargin-3'-fluorobenzylspiperone similarity", "source_label": "thapsigargin", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.5729499459266663 } }, { "source": "CID:197810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "chelidonine-parbendazole similarity", "source_label": "chelidonine", "target_label": "parbendazole", "cosine_similarity": 0.8716264963150024 } }, { "source": "CID:44483336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "fluticasone-dexamethasone similarity", "source_label": "fluticasone", "target_label": "dexamethasone", "cosine_similarity": 0.435042530298233 } }, { "source": "CID:5311412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918155", "properties": { "id": "rimexolone-ciclesonide similarity", "source_label": "rimexolone", "target_label": "ciclesonide", "cosine_similarity": 0.7449632287025452 } }, { "source": "CID:364622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282379", "properties": { "id": "MNITMT-isotretinoin similarity", "source_label": "MNITMT", "target_label": "isotretinoin", "cosine_similarity": 0.2402110993862152 } }, { "source": "CID:44628955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191176", "properties": { "id": "foxy-5-aminoresveratrol similarity", "source_label": "foxy-5", "target_label": "aminoresveratrol", "cosine_similarity": 0.2138165980577469 } }, { "source": "CID:2554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5002", "properties": { "id": "carbamazepine-quetiapine similarity", "source_label": "carbamazepine", "target_label": "quetiapine", "cosine_similarity": 0.5419416427612305 } }, { "source": "CID:5318562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442428", "properties": { "id": "isoeugenol-naringin similarity", "source_label": "isoeugenol", "target_label": "naringin", "cosine_similarity": 0.2162977010011673 } }, { "source": "CID:71759907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654232", "properties": { "id": "SA-1939891-SA-1463785 similarity", "source_label": "SA-1939891", "target_label": "SA-1463785", "cosine_similarity": 0.233380451798439 } }, { "source": "CID:5456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "thonzonium-cercosporin similarity", "source_label": "thonzonium", "target_label": "cercosporin", "cosine_similarity": 0.4246282279491424 } }, { "source": "CID:54659868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-1459031-SA-89735 similarity", "source_label": "SA-1459031", "target_label": "SA-89735", "cosine_similarity": 0.3148380219936371 } }, { "source": "CID:44503093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "SA-246522-dienestrol similarity", "source_label": "SA-246522", "target_label": "dienestrol", "cosine_similarity": 0.32524573802948 } }, { "source": "CID:9419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "dibenzepin-Gossypetin similarity", "source_label": "dibenzepin", "target_label": "Gossypetin", "cosine_similarity": 0.2454413175582885 } }, { "source": "CID:656731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "chromanol-phenothiazine similarity", "source_label": "chromanol", "target_label": "phenothiazine", "cosine_similarity": 0.2980570197105407 } }, { "source": "CID:9933475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "cediranib-fluvastatin similarity", "source_label": "cediranib", "target_label": "fluvastatin", "cosine_similarity": 0.5221253037452698 } }, { "source": "CID:119034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "asiatic-acid-meclofenamic-acid similarity", "source_label": "asiatic-acid", "target_label": "meclofenamic-acid", "cosine_similarity": 0.5031216144561768 } }, { "source": "CID:46908929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "tofogliflozin-floxuridine similarity", "source_label": "tofogliflozin", "target_label": "floxuridine", "cosine_similarity": 0.4475536942481994 } }, { "source": "CID:4926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "promazine-CAY-10594 similarity", "source_label": "promazine", "target_label": "CAY-10594", "cosine_similarity": 0.5797918438911438 } }, { "source": "CID:29243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "tetrahydrouridine-gliclazide similarity", "source_label": "tetrahydrouridine", "target_label": "gliclazide", "cosine_similarity": 0.8274581432342529 } }, { "source": "CID:4486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8796093", "properties": { "id": "nifekalant-KU-C103881 similarity", "source_label": "nifekalant", "target_label": "KU-C103881", "cosine_similarity": 0.2349727898836136 } }, { "source": "CID:54660617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1457458-SA-1459714 similarity", "source_label": "SA-1457458", "target_label": "SA-1459714", "cosine_similarity": 0.2523224949836731 } }, { "source": "CID:4302963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3675", "properties": { "id": "AM-630-phenelzine similarity", "source_label": "AM-630", "target_label": "phenelzine", "cosine_similarity": 0.155405044555664 } }, { "source": "CID:25073775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "VS-4718-MEK-162 similarity", "source_label": "VS-4718", "target_label": "MEK-162", "cosine_similarity": 0.4394751787185669 } }, { "source": "CID:73707425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "guggulsterone-phenethyl-isothiocyanate similarity", "source_label": "guggulsterone", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.4644794166088104 } }, { "source": "CID:10160238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2802", "properties": { "id": "tasisulam-clonazepam similarity", "source_label": "tasisulam", "target_label": "clonazepam", "cosine_similarity": 0.254448801279068 } }, { "source": "CID:24747169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296282", "properties": { "id": "PSH-024-DG-041 similarity", "source_label": "PSH-024", "target_label": "DG-041", "cosine_similarity": 0.3047055900096893 } }, { "source": "CID:3627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "homochlorcyclizine-mecamylamine similarity", "source_label": "homochlorcyclizine", "target_label": "mecamylamine", "cosine_similarity": 0.3028887808322906 } }, { "source": "CID:5468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "tiaprofenic-acid-actarit similarity", "source_label": "tiaprofenic-acid", "target_label": "actarit", "cosine_similarity": 0.2396252155303955 } }, { "source": "CID:5316606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60726", "properties": { "id": "piceid-bromfenac similarity", "source_label": "piceid", "target_label": "bromfenac", "cosine_similarity": 0.2779990434646606 } }, { "source": "CID:10377751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "AS-605240-PD-184352 similarity", "source_label": "AS-605240", "target_label": "PD-184352", "cosine_similarity": 0.5071821212768555 } }, { "source": "CID:6918454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "PD-184352-trametinib similarity", "source_label": "PD-184352", "target_label": "trametinib", "cosine_similarity": 0.8066415786743164 } }, { "source": "CID:6604893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5488548", "properties": { "id": "DFB-alvimopan similarity", "source_label": "DFB", "target_label": "alvimopan", "cosine_similarity": 0.24758180975914 } }, { "source": "CID:44483339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "BVT-948-I-606051 similarity", "source_label": "BVT-948", "target_label": "I-606051", "cosine_similarity": 0.5570022463798523 } }, { "source": "CID:5730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42623900", "properties": { "id": "ZM-336372-QS-11 similarity", "source_label": "ZM-336372", "target_label": "QS-11", "cosine_similarity": 0.488733559846878 } }, { "source": "CID:73652146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "ionomycin-AG-592 similarity", "source_label": "ionomycin", "target_label": "AG-592", "cosine_similarity": 0.3271908462047577 } }, { "source": "CID:4170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:198693", "properties": { "id": "metolazone-CI-966 similarity", "source_label": "metolazone", "target_label": "CI-966", "cosine_similarity": 0.4368933439254761 } }, { "source": "CID:5281621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "gossypin-Gossypetin similarity", "source_label": "gossypin", "target_label": "Gossypetin", "cosine_similarity": 0.7212905287742615 } }, { "source": "CID:23902994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "BL-077-ropinirole similarity", "source_label": "BL-077", "target_label": "ropinirole", "cosine_similarity": 0.2535603642463684 } }, { "source": "CID:6918554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "indacaterol-S-18986 similarity", "source_label": "indacaterol", "target_label": "S-18986", "cosine_similarity": 0.3101911842823028 } }, { "source": "CID:22565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2630179", "properties": { "id": "aminopentamide-EMF-sumo1-12 similarity", "source_label": "aminopentamide", "target_label": "EMF-sumo1-12", "cosine_similarity": 0.3142354786396026 } }, { "source": "CID:24747196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54677407", "properties": { "id": "PSH-025-robustic-acid similarity", "source_label": "PSH-025", "target_label": "robustic-acid", "cosine_similarity": 0.2812452614307403 } }, { "source": "CID:46897843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45100448", "properties": { "id": "VU-0420364-1-ML-179 similarity", "source_label": "VU-0420364-1", "target_label": "ML-179", "cosine_similarity": 0.322874367237091 } }, { "source": "CID:149096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "levofloxacin-methimazole similarity", "source_label": "levofloxacin", "target_label": "methimazole", "cosine_similarity": 0.3484629392623901 } }, { "source": "CID:680501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "AMG-9810-VU-0410183-2 similarity", "source_label": "AMG-9810", "target_label": "VU-0410183-2", "cosine_similarity": 0.3169955313205719 } }, { "source": "CID:134018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "febuxostat-castanospermine similarity", "source_label": "febuxostat", "target_label": "castanospermine", "cosine_similarity": 0.347322404384613 } }, { "source": "CID:5462501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3326", "properties": { "id": "enalaprilat-famprofazone similarity", "source_label": "enalaprilat", "target_label": "famprofazone", "cosine_similarity": 0.1591825634241104 } }, { "source": "CID:10430360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:766949", "properties": { "id": "CC-401-JNK-IN-5A similarity", "source_label": "CC-401", "target_label": "JNK-IN-5A", "cosine_similarity": 0.3749805986881256 } }, { "source": "CID:11417954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "ADL-5859-simvastatin similarity", "source_label": "ADL-5859", "target_label": "simvastatin", "cosine_similarity": 0.2855071127414703 } }, { "source": "CID:3518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "guanethidine-alaproclate similarity", "source_label": "guanethidine", "target_label": "alaproclate", "cosine_similarity": 0.2725988328456878 } }, { "source": "CID:7638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "monobenzone-RS-17053 similarity", "source_label": "monobenzone", "target_label": "RS-17053", "cosine_similarity": 0.3090695440769195 } }, { "source": "CID:9823820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "lenvatinib-ripasudil similarity", "source_label": "lenvatinib", "target_label": "ripasudil", "cosine_similarity": 0.4684522747993469 } }, { "source": "CID:2708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "chlorambucil-teniposide similarity", "source_label": "chlorambucil", "target_label": "teniposide", "cosine_similarity": 0.3618538975715637 } }, { "source": "CID:5702106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "prednisolone-flumetasone similarity", "source_label": "prednisolone", "target_label": "flumetasone", "cosine_similarity": 0.3453854024410248 } }, { "source": "CID:5757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "estradiol-DL-TBOA similarity", "source_label": "estradiol", "target_label": "DL-TBOA", "cosine_similarity": 0.3744316399097442 } }, { "source": "CID:3779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "isoprenaline-etamsylate similarity", "source_label": "isoprenaline", "target_label": "etamsylate", "cosine_similarity": 0.2507343888282776 } }, { "source": "CID:9553856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "furaltadone-cyclothiazide similarity", "source_label": "furaltadone", "target_label": "cyclothiazide", "cosine_similarity": 0.2363215088844299 } }, { "source": "CID:11175137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "AT-7867-obatoclax similarity", "source_label": "AT-7867", "target_label": "obatoclax", "cosine_similarity": 0.363859474658966 } }, { "source": "CID:441724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "delcorine-TAK-715 similarity", "source_label": "delcorine", "target_label": "TAK-715", "cosine_similarity": 0.2481954842805862 } }, { "source": "CID:73707514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1054", "properties": { "id": "atractyloside-pyridoxine similarity", "source_label": "atractyloside", "target_label": "pyridoxine", "cosine_similarity": 0.254089206457138 } }, { "source": "CID:41049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689", "properties": { "id": "meptazinol-ifenprodil similarity", "source_label": "meptazinol", "target_label": "ifenprodil", "cosine_similarity": 0.3297076225280761 } }, { "source": "CID:34359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "carbidopa-amifostine similarity", "source_label": "carbidopa", "target_label": "amifostine", "cosine_similarity": 0.2536164820194244 } }, { "source": "CID:24747272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "PSH-023-VU-0366968 similarity", "source_label": "PSH-023", "target_label": "VU-0366968", "cosine_similarity": 0.2611271440982818 } }, { "source": "CID:57335384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9853053", "properties": { "id": "rociletinib-lomitapide similarity", "source_label": "rociletinib", "target_label": "lomitapide", "cosine_similarity": 0.3187147676944732 } }, { "source": "CID:4737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:387447", "properties": { "id": "pentobarbital-bortezomib similarity", "source_label": "pentobarbital", "target_label": "bortezomib", "cosine_similarity": 0.282132476568222 } }, { "source": "CID:45259133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "VU-0415113-1-tyrphostin-A9 similarity", "source_label": "VU-0415113-1", "target_label": "tyrphostin-A9", "cosine_similarity": 0.2375218868255615 } }, { "source": "CID:1400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "PP-1-dasatinib similarity", "source_label": "PP-1", "target_label": "dasatinib", "cosine_similarity": 0.4512518644332886 } }, { "source": "CID:3169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "dropropizine-FTI-276 similarity", "source_label": "dropropizine", "target_label": "FTI-276", "cosine_similarity": 0.4278694093227386 } }, { "source": "CID:9444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "azacitidine-RAF-265 similarity", "source_label": "azacitidine", "target_label": "RAF-265", "cosine_similarity": 0.6406500339508057 } }, { "source": "CID:10219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91930061", "properties": { "id": "emetine-bruceantin similarity", "source_label": "emetine", "target_label": "bruceantin", "cosine_similarity": 0.8229759931564331 } }, { "source": "CID:60184097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-1938421-SA-1939126 similarity", "source_label": "SA-1938421", "target_label": "SA-1939126", "cosine_similarity": 0.2835294902324676 } }, { "source": "CID:6604918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "YM-976-diphenidol similarity", "source_label": "YM-976", "target_label": "diphenidol", "cosine_similarity": 0.410709798336029 } }, { "source": "CID:49867930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "RG-4733-dasatinib similarity", "source_label": "RG-4733", "target_label": "dasatinib", "cosine_similarity": 0.3389855027198791 } }, { "source": "CID:5362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135470813", "properties": { "id": "suxibuzone-MW-STK33-2C similarity", "source_label": "suxibuzone", "target_label": "MW-STK33-2C", "cosine_similarity": 0.1954350024461746 } }, { "source": "CID:73707349", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "BG-1003-Fluoro-SAHA similarity", "source_label": "BG-1003", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.7674464583396912 } }, { "source": "CID:3202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2936384", "properties": { "id": "edrophonium-SF-11 similarity", "source_label": "edrophonium", "target_label": "SF-11", "cosine_similarity": 0.2319074422121048 } }, { "source": "CID:5568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "triflupromazine-NTNCB similarity", "source_label": "triflupromazine", "target_label": "NTNCB", "cosine_similarity": 0.37057626247406 } }, { "source": "CID:168868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "methyllidocaine-dipyrocetyl similarity", "source_label": "methyllidocaine", "target_label": "dipyrocetyl", "cosine_similarity": 0.3002465069293976 } }, { "source": "CID:57339144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54685215", "properties": { "id": "UNC-1215-IOX2 similarity", "source_label": "UNC-1215", "target_label": "IOX2", "cosine_similarity": 0.4914530217647552 } }, { "source": "CID:13505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143700", "properties": { "id": "diphenoxylate-KUC103424N similarity", "source_label": "diphenoxylate", "target_label": "KUC103424N", "cosine_similarity": 0.1859076172113418 } }, { "source": "CID:70680406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "MW-SHH-61-thiazolopyrimidine similarity", "source_label": "MW-SHH-61", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3335053622722626 } }, { "source": "CID:164723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "byssochlamic-acid-emetine similarity", "source_label": "byssochlamic-acid", "target_label": "emetine", "cosine_similarity": 0.25351482629776 } }, { "source": "CID:5315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "succinylsulfathiazole-HO-013 similarity", "source_label": "succinylsulfathiazole", "target_label": "HO-013", "cosine_similarity": 0.2774505913257599 } }, { "source": "CID:515709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "phenylalanyltyrosine-alda-1 similarity", "source_label": "phenylalanyltyrosine", "target_label": "alda-1", "cosine_similarity": 0.263302743434906 } }, { "source": "CID:4919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3906894", "properties": { "id": "procyclidine-WAY-161503 similarity", "source_label": "procyclidine", "target_label": "WAY-161503", "cosine_similarity": 0.251275897026062 } }, { "source": "CID:84008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "FIT-NTNCB similarity", "source_label": "FIT", "target_label": "NTNCB", "cosine_similarity": 0.6940785646438599 } }, { "source": "CID:182585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3331", "properties": { "id": "MDL-72832-felbamate similarity", "source_label": "MDL-72832", "target_label": "felbamate", "cosine_similarity": 0.2190180569887161 } }, { "source": "CID:3657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "hydroxyurea-Gossypetin similarity", "source_label": "hydroxyurea", "target_label": "Gossypetin", "cosine_similarity": 0.358190506696701 } }, { "source": "CID:443155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3816756", "properties": { "id": "cinchonidine-AT-SUMO-1 similarity", "source_label": "cinchonidine", "target_label": "AT-SUMO-1", "cosine_similarity": 0.2124035060405731 } }, { "source": "CID:44483268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "hydroquinine-NCS-382 similarity", "source_label": "hydroquinine", "target_label": "NCS-382", "cosine_similarity": 0.2241478413343429 } }, { "source": "CID:24747209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "PSH-012-fillalbin similarity", "source_label": "PSH-012", "target_label": "fillalbin", "cosine_similarity": 0.2415360063314438 } }, { "source": "CID:9956637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "PD-198306-AZ-628 similarity", "source_label": "PD-198306", "target_label": "AZ-628", "cosine_similarity": 0.5436443090438843 } }, { "source": "CID:57379345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11626560", "properties": { "id": "ceritinib-crizotinib similarity", "source_label": "ceritinib", "target_label": "crizotinib", "cosine_similarity": 0.6154450178146362 } }, { "source": "CID:4581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15541", "properties": { "id": "octopamine-spectinomycin similarity", "source_label": "octopamine", "target_label": "spectinomycin", "cosine_similarity": 0.2460933476686477 } }, { "source": "CID:44494528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54618085", "properties": { "id": "SA-424763-SA-424068 similarity", "source_label": "SA-424763", "target_label": "SA-424068", "cosine_similarity": 0.2682228088378906 } }, { "source": "CID:31772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "nifurtimox-rolipram similarity", "source_label": "nifurtimox", "target_label": "rolipram", "cosine_similarity": 0.2430176883935928 } }, { "source": "CID:24094067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "I-303059-gossypin similarity", "source_label": "I-303059", "target_label": "gossypin", "cosine_similarity": 0.2618241608142853 } }, { "source": "CID:46783527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "taurocholic-acid-EMF-sumo1-6 similarity", "source_label": "taurocholic-acid", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.3490349054336548 } }, { "source": "CID:110634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4735", "properties": { "id": "vardenafil-pentamidine similarity", "source_label": "vardenafil", "target_label": "pentamidine", "cosine_similarity": 0.33463916182518 } }, { "source": "CID:5281847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "rottlerin-AG-879 similarity", "source_label": "rottlerin", "target_label": "AG-879", "cosine_similarity": 0.5920138955116272 } }, { "source": "CID:3672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "ibuprofen-cromoglicic-acid similarity", "source_label": "ibuprofen", "target_label": "cromoglicic-acid", "cosine_similarity": 0.3782586455345154 } }, { "source": "CID:2520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "verapamil-FTI-276 similarity", "source_label": "verapamil", "target_label": "FTI-276", "cosine_similarity": 0.4276534616947174 } }, { "source": "CID:728578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ST-022313-gossypin similarity", "source_label": "ST-022313", "target_label": "gossypin", "cosine_similarity": 0.3487257063388824 } }, { "source": "CID:4883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "practolol-SD-6-035-A3 similarity", "source_label": "practolol", "target_label": "SD-6-035-A3", "cosine_similarity": 0.2941701114177704 } }, { "source": "CID:24880028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46215815", "properties": { "id": "ALW-II-38-3-GSK-2334470 similarity", "source_label": "ALW-II-38-3", "target_label": "GSK-2334470", "cosine_similarity": 0.4151147305965423 } }, { "source": "CID:60700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "topotecan-camptothecin similarity", "source_label": "topotecan", "target_label": "camptothecin", "cosine_similarity": 0.8619877696037292 } }, { "source": "CID:25099184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771867", "properties": { "id": "AZ-960-alisertib similarity", "source_label": "AZ-960", "target_label": "alisertib", "cosine_similarity": 0.3770295977592468 } }, { "source": "CID:9813758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "BMS-345541-PF-562271 similarity", "source_label": "BMS-345541", "target_label": "PF-562271", "cosine_similarity": 0.5019240379333496 } }, { "source": "CID:2337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "benzocaine-flumethasone-pivalate similarity", "source_label": "benzocaine", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.2462805211544037 } }, { "source": "CID:7741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72967", "properties": { "id": "betazole-isonicotinohydroxamic-acid similarity", "source_label": "betazole", "target_label": "isonicotinohydroxamic-acid", "cosine_similarity": 0.1950616836547851 } }, { "source": "CID:9813758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45100448", "properties": { "id": "BMS-345541-ML-179 similarity", "source_label": "BMS-345541", "target_label": "ML-179", "cosine_similarity": 0.5253161787986755 } }, { "source": "CID:3917094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "ST-4070043-meropenem similarity", "source_label": "ST-4070043", "target_label": "meropenem", "cosine_similarity": 0.2105814069509506 } }, { "source": "CID:11234049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604763", "properties": { "id": "tedizolid-ICI-192605 similarity", "source_label": "tedizolid", "target_label": "ICI-192605", "cosine_similarity": 0.3340859115123749 } }, { "source": "CID:25124826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "PSB-06126-epicatechin similarity", "source_label": "PSB-06126", "target_label": "epicatechin", "cosine_similarity": 0.3043945729732513 } }, { "source": "CID:4912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "probucol-emedastine similarity", "source_label": "probucol", "target_label": "emedastine", "cosine_similarity": 0.5017179846763611 } }, { "source": "CID:1853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "phenanthridone-PT-630 similarity", "source_label": "phenanthridone", "target_label": "PT-630", "cosine_similarity": 0.4352625608444214 } }, { "source": "CID:1088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213046", "properties": { "id": "sarcosine-lurasidone similarity", "source_label": "sarcosine", "target_label": "lurasidone", "cosine_similarity": 0.4199124872684479 } }, { "source": "CID:73364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "calpeptin-AZD-6482 similarity", "source_label": "calpeptin", "target_label": "AZD-6482", "cosine_similarity": 0.3866512179374695 } }, { "source": "CID:447905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "GW-3965-dexloxiglumide similarity", "source_label": "GW-3965", "target_label": "dexloxiglumide", "cosine_similarity": 0.379857063293457 } }, { "source": "CID:51387307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441289", "properties": { "id": "cefsulodin-pancuronium similarity", "source_label": "cefsulodin", "target_label": "pancuronium", "cosine_similarity": 0.1909528821706771 } }, { "source": "CID:641266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "anabasine-Gly-Gly-PALO similarity", "source_label": "anabasine", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3078583180904388 } }, { "source": "CID:44603533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54688261", "properties": { "id": "LY-2801653-warfarin similarity", "source_label": "LY-2801653", "target_label": "warfarin", "cosine_similarity": 0.2859987914562225 } }, { "source": "CID:9600409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "CITCO-naloxone similarity", "source_label": "CITCO", "target_label": "naloxone", "cosine_similarity": 0.2064178884029388 } }, { "source": "CID:6603931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "MRS-1754-gossypin similarity", "source_label": "MRS-1754", "target_label": "gossypin", "cosine_similarity": 0.3516421318054199 } }, { "source": "CID:49843054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "SD-6-035-A3-Gly-Gly-PALO similarity", "source_label": "SD-6-035-A3", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3175338506698608 } }, { "source": "CID:44505892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-419090-SA-85268 similarity", "source_label": "SA-419090", "target_label": "SA-85268", "cosine_similarity": 0.4802846610546112 } }, { "source": "CID:60838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "irinotecan-SN-38 similarity", "source_label": "irinotecan", "target_label": "SN-38", "cosine_similarity": 0.7663593292236328 } }, { "source": "CID:22245026", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "GR-206-FTI-276 similarity", "source_label": "GR-206", "target_label": "FTI-276", "cosine_similarity": 0.3244354426860809 } }, { "source": "CID:6918453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "auranofin-BAY-11-7082 similarity", "source_label": "auranofin", "target_label": "BAY-11-7082", "cosine_similarity": 0.6444349884986877 } }, { "source": "CID:6610353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "staurosporine-PIK-75 similarity", "source_label": "staurosporine", "target_label": "PIK-75", "cosine_similarity": 0.6258008480072021 } }, { "source": "CID:24951314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "ISOX-scriptaid similarity", "source_label": "ISOX", "target_label": "scriptaid", "cosine_similarity": 0.8292171955108643 } }, { "source": "CID:10311918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19001", "properties": { "id": "CTPB-dithiothreitol similarity", "source_label": "CTPB", "target_label": "dithiothreitol", "cosine_similarity": 0.295572966337204 } }, { "source": "CID:5735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "zopiclone-harmine similarity", "source_label": "zopiclone", "target_label": "harmine", "cosine_similarity": 0.3594725131988525 } }, { "source": "CID:108137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "SCH-28080-oxiconazole similarity", "source_label": "SCH-28080", "target_label": "oxiconazole", "cosine_similarity": 0.5069341063499451 } }, { "source": "CID:5403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "terbutaline-saxagliptin similarity", "source_label": "terbutaline", "target_label": "saxagliptin", "cosine_similarity": 0.3086516559123993 } }, { "source": "CID:44629410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "ARG-TC-41-PJ-34 similarity", "source_label": "ARG-TC-41", "target_label": "PJ-34", "cosine_similarity": 0.3721681833267212 } }, { "source": "CID:73707606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707595", "properties": { "id": "oxetane-avicin-d similarity", "source_label": "oxetane", "target_label": "avicin-d", "cosine_similarity": 0.6253108382225037 } }, { "source": "CID:5281542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "harpagoside-harmine similarity", "source_label": "harpagoside", "target_label": "harmine", "cosine_similarity": 0.2514019012451172 } }, { "source": "CID:65663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "aloxistatin-CV-1808 similarity", "source_label": "aloxistatin", "target_label": "CV-1808", "cosine_similarity": 0.1827263981103897 } }, { "source": "CID:44818131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119032", "properties": { "id": "diaminoquinazoline-NO-ASA similarity", "source_label": "diaminoquinazoline", "target_label": "NO-ASA", "cosine_similarity": 0.4024723470211029 } }, { "source": "CID:6437068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:194138", "properties": { "id": "enevalproate-EHPG-piperazine similarity", "source_label": "enevalproate", "target_label": "EHPG-piperazine", "cosine_similarity": 0.2712774574756622 } }, { "source": "CID:7020214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10429242", "properties": { "id": "Val-Val-Val-CAY-10415 similarity", "source_label": "Val-Val-Val", "target_label": "CAY-10415", "cosine_similarity": 0.2295188754796981 } }, { "source": "CID:54676537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "acenocoumarol-LY-2365109 similarity", "source_label": "acenocoumarol", "target_label": "LY-2365109", "cosine_similarity": 0.300798237323761 } }, { "source": "CID:10430360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "CC-401-EMF-csc-9 similarity", "source_label": "CC-401", "target_label": "EMF-csc-9", "cosine_similarity": 0.3215847015380859 } }, { "source": "CID:54657751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-1458306-SA-1457188 similarity", "source_label": "SA-1458306", "target_label": "SA-1457188", "cosine_similarity": 0.2775813937187195 } }, { "source": "CID:688561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "procaterol-CV-1808 similarity", "source_label": "procaterol", "target_label": "CV-1808", "cosine_similarity": 0.4721042215824127 } }, { "source": "CID:16667722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10182969", "properties": { "id": "acadesine-apixaban similarity", "source_label": "acadesine", "target_label": "apixaban", "cosine_similarity": 0.3645785450935364 } }, { "source": "CID:4674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5436", "properties": { "id": "pamidronate-thiamylal similarity", "source_label": "pamidronate", "target_label": "thiamylal", "cosine_similarity": 0.2089376300573349 } }, { "source": "CID:25066467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11524144", "properties": { "id": "rebastinib-dorsomorphin similarity", "source_label": "rebastinib", "target_label": "dorsomorphin", "cosine_similarity": 0.2604720592498779 } }, { "source": "CID:3342298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282136", "properties": { "id": "CTS-1027-lafutidine similarity", "source_label": "CTS-1027", "target_label": "lafutidine", "cosine_similarity": 0.4516848623752594 } }, { "source": "CID:5560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "trichlormethiazide-nicotinamide similarity", "source_label": "trichlormethiazide", "target_label": "nicotinamide", "cosine_similarity": 0.1805144399404525 } }, { "source": "CID:46943432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "I-BET-762-bromosporine similarity", "source_label": "I-BET-762", "target_label": "bromosporine", "cosine_similarity": 0.8142921328544617 } }, { "source": "CID:443423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "cromakalim-sparfosic-acid similarity", "source_label": "cromakalim", "target_label": "sparfosic-acid", "cosine_similarity": 0.2969608604907989 } }, { "source": "CID:60490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "zileuton-PRIMA1 similarity", "source_label": "zileuton", "target_label": "PRIMA1", "cosine_similarity": 0.4133084714412689 } }, { "source": "CID:44386188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "3-deazaadenosine-finasteride similarity", "source_label": "3-deazaadenosine", "target_label": "finasteride", "cosine_similarity": 0.2688927054405212 } }, { "source": "CID:2405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "bisoprolol-metamizole similarity", "source_label": "bisoprolol", "target_label": "metamizole", "cosine_similarity": 0.3822728097438812 } }, { "source": "CID:25021165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "JZL-184-NSC-23766 similarity", "source_label": "JZL-184", "target_label": "NSC-23766", "cosine_similarity": 0.5000314116477966 } }, { "source": "CID:3549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:695347", "properties": { "id": "HA-14-1-ST-4039884 similarity", "source_label": "HA-14-1", "target_label": "ST-4039884", "cosine_similarity": 0.2539072334766388 } }, { "source": "CID:65944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4679", "properties": { "id": "pidotimod-pantoprazole similarity", "source_label": "pidotimod", "target_label": "pantoprazole", "cosine_similarity": 0.3675518631935119 } }, { "source": "CID:6610216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "DL-PDMP-trifluoperazine similarity", "source_label": "DL-PDMP", "target_label": "trifluoperazine", "cosine_similarity": 0.5769748687744141 } }, { "source": "CID:50922681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50248", "properties": { "id": "NSI-189-triclabendazole similarity", "source_label": "NSI-189", "target_label": "triclabendazole", "cosine_similarity": 0.2753039598464966 } }, { "source": "CID:2790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65599", "properties": { "id": "clobenpropit-lomifylline similarity", "source_label": "clobenpropit", "target_label": "lomifylline", "cosine_similarity": 0.3033674359321594 } }, { "source": "CID:445858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:362328", "properties": { "id": "ferulic-acid-NSC-625987 similarity", "source_label": "ferulic-acid", "target_label": "NSC-625987", "cosine_similarity": 0.8364787101745605 } }, { "source": "CID:4886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5893", "properties": { "id": "pramocaine-nadide similarity", "source_label": "pramocaine", "target_label": "nadide", "cosine_similarity": 0.3107528686523437 } }, { "source": "CID:3878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "lamotrigine-isradipine similarity", "source_label": "lamotrigine", "target_label": "isradipine", "cosine_similarity": 0.4587109684944153 } }, { "source": "CID:442009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:641785", "properties": { "id": "carnosol-cardamonin similarity", "source_label": "carnosol", "target_label": "cardamonin", "cosine_similarity": 0.2978436350822449 } }, { "source": "CID:483407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62959", "properties": { "id": "maraviroc-trovafloxacin similarity", "source_label": "maraviroc", "target_label": "trovafloxacin", "cosine_similarity": 0.4955133199691772 } }, { "source": "CID:10022508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "MDM2-inhibitor-7b-cis similarity", "source_label": "MDM2-inhibitor", "target_label": "7b-cis", "cosine_similarity": 0.3399552702903747 } }, { "source": "CID:5702135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "strychnine-ASN-05257430 similarity", "source_label": "strychnine", "target_label": "ASN-05257430", "cosine_similarity": 0.3012152314186096 } }, { "source": "CID:5282367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "menatetrenone-estropipate similarity", "source_label": "menatetrenone", "target_label": "estropipate", "cosine_similarity": 0.1432771980762481 } }, { "source": "CID:44493394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666595", "properties": { "id": "SA-90377-SA-1921085 similarity", "source_label": "SA-90377", "target_label": "SA-1921085", "cosine_similarity": 0.2159737199544906 } }, { "source": "CID:4886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "pramocaine-linsidomine similarity", "source_label": "pramocaine", "target_label": "linsidomine", "cosine_similarity": 0.3077375888824463 } }, { "source": "CID:10113978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "pazopanib-dabrafenib similarity", "source_label": "pazopanib", "target_label": "dabrafenib", "cosine_similarity": 0.4891172647476196 } }, { "source": "CID:210332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "reversine-GDC-0980 similarity", "source_label": "reversine", "target_label": "GDC-0980", "cosine_similarity": 0.4360175728797912 } }, { "source": "CID:51039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "cefaclor-dalcetrapib similarity", "source_label": "cefaclor", "target_label": "dalcetrapib", "cosine_similarity": 0.2512500584125519 } }, { "source": "CID:73707612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6732844", "properties": { "id": "BG-1015-ST-023431 similarity", "source_label": "BG-1015", "target_label": "ST-023431", "cosine_similarity": 0.2366382181644439 } }, { "source": "CID:70680406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50287", "properties": { "id": "MW-SHH-61-tiotidine similarity", "source_label": "MW-SHH-61", "target_label": "tiotidine", "cosine_similarity": 0.3441769182682037 } }, { "source": "CID:5311346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "PD-128907-3-CPMT similarity", "source_label": "PD-128907", "target_label": "3-CPMT", "cosine_similarity": 0.5915583968162537 } }, { "source": "CID:5487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4938", "properties": { "id": "tizanidine-propentofylline similarity", "source_label": "tizanidine", "target_label": "propentofylline", "cosine_similarity": 0.338977575302124 } }, { "source": "CID:46926973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "LGK-974-ME-0328 similarity", "source_label": "LGK-974", "target_label": "ME-0328", "cosine_similarity": 0.4842979907989502 } }, { "source": "CID:5329006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "ZM-306416-PIK-90 similarity", "source_label": "ZM-306416", "target_label": "PIK-90", "cosine_similarity": 0.2757921814918518 } }, { "source": "CID:9797857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "AR-C133057XX-NU-1025 similarity", "source_label": "AR-C133057XX", "target_label": "NU-1025", "cosine_similarity": 0.547150731086731 } }, { "source": "CID:73707499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "paromomycin-monocrotaline similarity", "source_label": "paromomycin", "target_label": "monocrotaline", "cosine_similarity": 0.2275860607624054 } }, { "source": "CID:1549120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4495", "properties": { "id": "epalrestat-nimesulide similarity", "source_label": "epalrestat", "target_label": "nimesulide", "cosine_similarity": 0.1946639269590377 } }, { "source": "CID:5574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "alimemazine-T-98475 similarity", "source_label": "alimemazine", "target_label": "T-98475", "cosine_similarity": 0.4641359150409698 } }, { "source": "CID:4814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "picotamide-PYM-50028 similarity", "source_label": "picotamide", "target_label": "PYM-50028", "cosine_similarity": 0.387550950050354 } }, { "source": "CID:44498015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-97110-SA-1939126 similarity", "source_label": "SA-97110", "target_label": "SA-1939126", "cosine_similarity": 0.3464979827404022 } }, { "source": "CID:6758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "rotenone-dolastatin-10 similarity", "source_label": "rotenone", "target_label": "dolastatin-10", "cosine_similarity": 0.5488259196281433 } }, { "source": "CID:54658632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-1456977-SA-1473405 similarity", "source_label": "SA-1456977", "target_label": "SA-1473405", "cosine_similarity": 0.3425593376159668 } }, { "source": "CID:5310968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44241483", "properties": { "id": "SIB-1553A-VU-0403126 similarity", "source_label": "SIB-1553A", "target_label": "VU-0403126", "cosine_similarity": 0.1907790154218673 } }, { "source": "CID:5748555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "mammea-a-AG-879 similarity", "source_label": "mammea-a", "target_label": "AG-879", "cosine_similarity": 0.3942088484764099 } }, { "source": "CID:24747209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603820", "properties": { "id": "PSH-012-dihydrexidine similarity", "source_label": "PSH-012", "target_label": "dihydrexidine", "cosine_similarity": 0.2227574288845062 } }, { "source": "CID:708857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "pyrantel-pamoate-sulfanitran similarity", "source_label": "pyrantel-pamoate", "target_label": "sulfanitran", "cosine_similarity": 0.3633832931518554 } }, { "source": "CID:449241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "H-89-T-98475 similarity", "source_label": "H-89", "target_label": "T-98475", "cosine_similarity": 0.5047516822814941 } }, { "source": "CID:9957280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "NNC-55-0396-terfenadine similarity", "source_label": "NNC-55-0396", "target_label": "terfenadine", "cosine_similarity": 0.7171809077262878 } }, { "source": "CID:3550807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "EMF-sumo1-7-ARG-CSC-81 similarity", "source_label": "EMF-sumo1-7", "target_label": "ARG-CSC-81", "cosine_similarity": 0.2353495955467224 } }, { "source": "CID:6780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "anthraquinone-pridinol similarity", "source_label": "anthraquinone", "target_label": "pridinol", "cosine_similarity": 0.6660475134849548 } }, { "source": "CID:92095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3342298", "properties": { "id": "PYM-50028-CTS-1027 similarity", "source_label": "PYM-50028", "target_label": "CTS-1027", "cosine_similarity": 0.4660989642143249 } }, { "source": "CID:60192328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-1938756-SA-1473405 similarity", "source_label": "SA-1938756", "target_label": "SA-1473405", "cosine_similarity": 0.3288343548774719 } }, { "source": "CID:24855958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "TCS-2002-THZ-2-98-01 similarity", "source_label": "TCS-2002", "target_label": "THZ-2-98-01", "cosine_similarity": 0.3803600370883941 } }, { "source": "CID:54668348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490269", "properties": { "id": "SA-1922975-SA-102787 similarity", "source_label": "SA-1922975", "target_label": "SA-102787", "cosine_similarity": 0.2924040555953979 } }, { "source": "CID:4534086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "KB-R7943-tetrandrine similarity", "source_label": "KB-R7943", "target_label": "tetrandrine", "cosine_similarity": 0.5828292965888977 } }, { "source": "CID:2415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "BML-190-labetalol similarity", "source_label": "BML-190", "target_label": "labetalol", "cosine_similarity": 0.2451120316982269 } }, { "source": "CID:60184300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-1938867-SA-96805 similarity", "source_label": "SA-1938867", "target_label": "SA-96805", "cosine_similarity": 0.4709323942661285 } }, { "source": "CID:9600409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688020", "properties": { "id": "CITCO-crotamiton similarity", "source_label": "CITCO", "target_label": "crotamiton", "cosine_similarity": 0.2021916359663009 } }, { "source": "CID:2119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11539025", "properties": { "id": "alprenolol-LY-2228820 similarity", "source_label": "alprenolol", "target_label": "LY-2228820", "cosine_similarity": 0.2078971117734909 } }, { "source": "CID:11304743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "riociguat-Y-26763 similarity", "source_label": "riociguat", "target_label": "Y-26763", "cosine_similarity": 0.4522450864315033 } }, { "source": "CID:175540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "atenolol-levosulpiride similarity", "source_label": "atenolol", "target_label": "levosulpiride", "cosine_similarity": 0.3156488835811615 } }, { "source": "CID:53232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "lovastatin-promazine similarity", "source_label": "lovastatin", "target_label": "promazine", "cosine_similarity": 0.4138063788414001 } }, { "source": "CID:11345983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11201705", "properties": { "id": "cardiogenol-c-ivachtin similarity", "source_label": "cardiogenol-c", "target_label": "ivachtin", "cosine_similarity": 0.2996880412101745 } }, { "source": "CID:216327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "senicapoc-phenylacetylglutamine similarity", "source_label": "senicapoc", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.3431861102581024 } }, { "source": "CID:44483291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702036", "properties": { "id": "medrysone-dexamethasone-acetate similarity", "source_label": "medrysone", "target_label": "dexamethasone-acetate", "cosine_similarity": 0.4885854125022888 } }, { "source": "CID:54657708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "SA-1457336-SA-441350 similarity", "source_label": "SA-1457336", "target_label": "SA-441350", "cosine_similarity": 0.295644462108612 } }, { "source": "CID:20507134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "isoxicam-NU-1025 similarity", "source_label": "isoxicam", "target_label": "NU-1025", "cosine_similarity": 0.3602439165115356 } }, { "source": "CID:439620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "oxalomalic-acid-FTI-276 similarity", "source_label": "oxalomalic-acid", "target_label": "FTI-276", "cosine_similarity": 0.3151403963565826 } }, { "source": "CID:59227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6450813", "properties": { "id": "rotigotine-indiplon similarity", "source_label": "rotigotine", "target_label": "indiplon", "cosine_similarity": 0.3298101723194122 } }, { "source": "CID:6710754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397945", "properties": { "id": "irilin-a-hydrastinine similarity", "source_label": "irilin-a", "target_label": "hydrastinine", "cosine_similarity": 0.2525123953819275 } }, { "source": "CID:4487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "nifenazone-WHI-P154 similarity", "source_label": "nifenazone", "target_label": "WHI-P154", "cosine_similarity": 0.2657452225685119 } }, { "source": "CID:8421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2768", "properties": { "id": "homoveratrylamine-dichlorodiamine-platinum similarity", "source_label": "homoveratrylamine", "target_label": "dichlorodiamine-platinum", "cosine_similarity": 0.2378614991903305 } }, { "source": "CID:11960529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "veliparib-FTI-276 similarity", "source_label": "veliparib", "target_label": "FTI-276", "cosine_similarity": 0.4662066102027893 } }, { "source": "CID:9810884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "Y-39983-CHIR-99021 similarity", "source_label": "Y-39983", "target_label": "CHIR-99021", "cosine_similarity": 0.3551394641399383 } }, { "source": "CID:15723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5626", "properties": { "id": "azacyclonol-U-99194 similarity", "source_label": "azacyclonol", "target_label": "U-99194", "cosine_similarity": 0.2325781285762787 } }, { "source": "CID:44257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "sapropterin-fexofenadine similarity", "source_label": "sapropterin", "target_label": "fexofenadine", "cosine_similarity": 0.2572193145751953 } }, { "source": "CID:3689416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "K784-3188-EMF-bca1-16 similarity", "source_label": "K784-3188", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7402463555335999 } }, { "source": "CID:4519822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4592", "properties": { "id": "MRS-1334-olomoucine similarity", "source_label": "MRS-1334", "target_label": "olomoucine", "cosine_similarity": 0.2393536269664764 } }, { "source": "CID:6711154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623840", "properties": { "id": "CGP-53353-KU-C104227 similarity", "source_label": "CGP-53353", "target_label": "KU-C104227", "cosine_similarity": 0.2576076090335846 } }, { "source": "CID:24747195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "PSH-026-VU-0366968 similarity", "source_label": "PSH-026", "target_label": "VU-0366968", "cosine_similarity": 0.2722997069358825 } }, { "source": "CID:51360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "KUC107191N-erythrosine similarity", "source_label": "KUC107191N", "target_label": "erythrosine", "cosine_similarity": 0.3561317324638366 } }, { "source": "CID:9872438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "SSR-69071-BCI-hydrochloride similarity", "source_label": "SSR-69071", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.6059917211532593 } }, { "source": "CID:5392245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9909648", "properties": { "id": "calycanthine-PNU-96415E similarity", "source_label": "calycanthine", "target_label": "PNU-96415E", "cosine_similarity": 0.3024744987487793 } }, { "source": "CID:3331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "felbamate-diethylcarbamazine similarity", "source_label": "felbamate", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3192866444587707 } }, { "source": "CID:44500663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44491516", "properties": { "id": "SA-89763-SA-432137 similarity", "source_label": "SA-89763", "target_label": "SA-432137", "cosine_similarity": 0.3436929583549499 } }, { "source": "CID:65906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "mizolastine-acifran similarity", "source_label": "mizolastine", "target_label": "acifran", "cosine_similarity": 0.2843107283115387 } }, { "source": "CID:148198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4158", "properties": { "id": "GMX-1778-methylphenidate similarity", "source_label": "GMX-1778", "target_label": "methylphenidate", "cosine_similarity": 0.4831418395042419 } }, { "source": "CID:10633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65057", "properties": { "id": "mestanolone-diphencyprone similarity", "source_label": "mestanolone", "target_label": "diphencyprone", "cosine_similarity": 0.1932527124881744 } }, { "source": "CID:9912992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "SPP-301-rucaparib similarity", "source_label": "SPP-301", "target_label": "rucaparib", "cosine_similarity": 0.29328653216362 } }, { "source": "CID:6769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2775510", "properties": { "id": "syrosingopine-wiskostatin similarity", "source_label": "syrosingopine", "target_label": "wiskostatin", "cosine_similarity": 0.2249907553195953 } }, { "source": "CID:2728620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "RJC-00245SC-I-505056 similarity", "source_label": "RJC-00245SC", "target_label": "I-505056", "cosine_similarity": 0.6290686130523682 } }, { "source": "CID:6604928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127404", "properties": { "id": "GS-39783-isamoltane similarity", "source_label": "GS-39783", "target_label": "isamoltane", "cosine_similarity": 0.2624060809612274 } }, { "source": "CID:3428129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64981", "properties": { "id": "ichthynone-arctigenin similarity", "source_label": "ichthynone", "target_label": "arctigenin", "cosine_similarity": 0.3791870772838592 } }, { "source": "CID:5702153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "cinchonine-cerulenin similarity", "source_label": "cinchonine", "target_label": "cerulenin", "cosine_similarity": 0.2502460479736328 } }, { "source": "CID:4843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54585", "properties": { "id": "piracetam-balsalazide similarity", "source_label": "piracetam", "target_label": "balsalazide", "cosine_similarity": 0.3493601381778717 } }, { "source": "CID:1317466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "SJ-172550-fluoropyruvate similarity", "source_label": "SJ-172550", "target_label": "fluoropyruvate", "cosine_similarity": 0.4282508790493011 } }, { "source": "CID:656765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "DCEBIO-DAC-009 similarity", "source_label": "DCEBIO", "target_label": "DAC-009", "cosine_similarity": 0.2387063056230545 } }, { "source": "CID:688800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "ST-057710-VU-0418947-2 similarity", "source_label": "ST-057710", "target_label": "VU-0418947-2", "cosine_similarity": 0.3311446607112884 } }, { "source": "CID:5497183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "z-leu3-VS-BNTX similarity", "source_label": "z-leu3-VS", "target_label": "BNTX", "cosine_similarity": 0.7186596989631653 } }, { "source": "CID:2082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "albendazole-KX-2391 similarity", "source_label": "albendazole", "target_label": "KX-2391", "cosine_similarity": 0.6835076212882996 } }, { "source": "CID:4099413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "SB-366791-NVP-AUY922 similarity", "source_label": "SB-366791", "target_label": "NVP-AUY922", "cosine_similarity": 0.2753593325614929 } }, { "source": "CID:5537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "trequinsin-dasatinib similarity", "source_label": "trequinsin", "target_label": "dasatinib", "cosine_similarity": 0.2232444584369659 } }, { "source": "CID:4909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "primidone-bicalutamide similarity", "source_label": "primidone", "target_label": "bicalutamide", "cosine_similarity": 0.3539380133152008 } }, { "source": "CID:54657735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504286", "properties": { "id": "SA-1457187-SA-102042 similarity", "source_label": "SA-1457187", "target_label": "SA-102042", "cosine_similarity": 0.2313349843025207 } }, { "source": "CID:54657695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657693", "properties": { "id": "SA-1973497-SA-1973509 similarity", "source_label": "SA-1973497", "target_label": "SA-1973509", "cosine_similarity": 0.5691823363304138 } }, { "source": "CID:9886086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "Ro-28-1675-RAF-265 similarity", "source_label": "Ro-28-1675", "target_label": "RAF-265", "cosine_similarity": 0.5845317244529724 } }, { "source": "CID:192706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:393595", "properties": { "id": "phenserine-MRS-1220 similarity", "source_label": "phenserine", "target_label": "MRS-1220", "cosine_similarity": 0.2569214403629303 } }, { "source": "CID:5702095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "noretynodrel-diethylcarbamazine similarity", "source_label": "noretynodrel", "target_label": "diethylcarbamazine", "cosine_similarity": 0.2307541370391845 } }, { "source": "CID:9906875", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "LFM-A13-harmine similarity", "source_label": "LFM-A13", "target_label": "harmine", "cosine_similarity": 0.5221847891807556 } }, { "source": "CID:46742353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "VU-0418946-1-VU-0418947-2 similarity", "source_label": "VU-0418946-1", "target_label": "VU-0418947-2", "cosine_similarity": 0.904203712940216 } }, { "source": "CID:11717001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24880028", "properties": { "id": "GDC-0879-ALW-II-38-3 similarity", "source_label": "GDC-0879", "target_label": "ALW-II-38-3", "cosine_similarity": 0.5216721892356873 } }, { "source": "CID:135400439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "KF-38789-mebendazole similarity", "source_label": "KF-38789", "target_label": "mebendazole", "cosine_similarity": 0.5207995176315308 } }, { "source": "CID:44623845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "KU-C104226-AM-580 similarity", "source_label": "KU-C104226", "target_label": "AM-580", "cosine_similarity": 0.2273533344268798 } }, { "source": "CID:208898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "dronedarone-miglustat similarity", "source_label": "dronedarone", "target_label": "miglustat", "cosine_similarity": 0.3573986291885376 } }, { "source": "CID:54666595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "SA-1921085-GR-127935 similarity", "source_label": "SA-1921085", "target_label": "GR-127935", "cosine_similarity": 0.3685363829135895 } }, { "source": "CID:2293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3000022", "properties": { "id": "BAPTA-AM-MW-STK33-23 similarity", "source_label": "BAPTA-AM", "target_label": "MW-STK33-23", "cosine_similarity": 0.2937521040439605 } }, { "source": "CID:415541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "U-18666A-BIBU-1361 similarity", "source_label": "U-18666A", "target_label": "BIBU-1361", "cosine_similarity": 0.5782105326652527 } }, { "source": "CID:9549305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "PQ-401-wortmannin similarity", "source_label": "PQ-401", "target_label": "wortmannin", "cosine_similarity": 0.2272812128067016 } }, { "source": "CID:45358132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "icariin-TAK-715 similarity", "source_label": "icariin", "target_label": "TAK-715", "cosine_similarity": 0.3096312582492828 } }, { "source": "CID:5281884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "valspodar-RAF-265 similarity", "source_label": "valspodar", "target_label": "RAF-265", "cosine_similarity": 0.379321813583374 } }, { "source": "CID:5289501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "TTNPB-actarit similarity", "source_label": "TTNPB", "target_label": "actarit", "cosine_similarity": 0.3423672914505005 } }, { "source": "CID:6914657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "FK-866-AR-C133057XX similarity", "source_label": "FK-866", "target_label": "AR-C133057XX", "cosine_similarity": 0.4339418411254883 } }, { "source": "CID:68770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60063", "properties": { "id": "talinolol-clinafloxacin similarity", "source_label": "talinolol", "target_label": "clinafloxacin", "cosine_similarity": 0.3483705818653106 } }, { "source": "CID:16218996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "beclometasone-cortisone similarity", "source_label": "beclometasone", "target_label": "cortisone", "cosine_similarity": 0.314277708530426 } }, { "source": "CID:5429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "theobromine-tolnaftate similarity", "source_label": "theobromine", "target_label": "tolnaftate", "cosine_similarity": 0.467471569776535 } }, { "source": "CID:72734382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506630", "properties": { "id": "HDAC3-selective-SA-247384 similarity", "source_label": "HDAC3-selective", "target_label": "SA-247384", "cosine_similarity": 0.3700113892555237 } }, { "source": "CID:15984937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "camicinal-grazoprevir similarity", "source_label": "camicinal", "target_label": "grazoprevir", "cosine_similarity": 0.5909014940261841 } }, { "source": "CID:4725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441029", "properties": { "id": "penciclovir-fosfomycin similarity", "source_label": "penciclovir", "target_label": "fosfomycin", "cosine_similarity": 0.3530923128128052 } }, { "source": "CID:23891514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "I-606061-EMF-sumo1-39 similarity", "source_label": "I-606061", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.6509953737258911 } }, { "source": "CID:114924", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "tetradecylthioacetic-acid-SB-203580 similarity", "source_label": "tetradecylthioacetic-acid", "target_label": "SB-203580", "cosine_similarity": 0.2939130663871765 } }, { "source": "CID:2726824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "XAV-939-FTI-276 similarity", "source_label": "XAV-939", "target_label": "FTI-276", "cosine_similarity": 0.4845181703567505 } }, { "source": "CID:44487652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-85268-SA-1919248 similarity", "source_label": "SA-85268", "target_label": "SA-1919248", "cosine_similarity": 0.3916057348251343 } }, { "source": "CID:54477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "remoxipride-dubinidine similarity", "source_label": "remoxipride", "target_label": "dubinidine", "cosine_similarity": 0.312772661447525 } }, { "source": "CID:60947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "tirofiban-tirasemtiv similarity", "source_label": "tirofiban", "target_label": "tirasemtiv", "cosine_similarity": 0.3065143525600433 } }, { "source": "CID:11715767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "PHA-767491-BAY-61-3606 similarity", "source_label": "PHA-767491", "target_label": "BAY-61-3606", "cosine_similarity": 0.5954872369766235 } }, { "source": "CID:2950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10330240", "properties": { "id": "dantron-VUF-5681 similarity", "source_label": "dantron", "target_label": "VUF-5681", "cosine_similarity": 0.2687133848667145 } }, { "source": "CID:11507802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "LY-2183240-ABT-751 similarity", "source_label": "LY-2183240", "target_label": "ABT-751", "cosine_similarity": 0.6682671904563904 } }, { "source": "CID:11676786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "AZ-628-PD-0325901 similarity", "source_label": "AZ-628", "target_label": "PD-0325901", "cosine_similarity": 0.7932295799255371 } }, { "source": "CID:14973220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "SD-169-amyleine similarity", "source_label": "SD-169", "target_label": "amyleine", "cosine_similarity": 0.2506497502326965 } }, { "source": "CID:9839842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "MAZ-51-tivantinib similarity", "source_label": "MAZ-51", "target_label": "tivantinib", "cosine_similarity": 0.3698568642139435 } }, { "source": "CID:4567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38409", "properties": { "id": "buphenine-tienilic-acid similarity", "source_label": "buphenine", "target_label": "tienilic-acid", "cosine_similarity": 0.2586388885974884 } }, { "source": "CID:124246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "iguratimod-swainsonine similarity", "source_label": "iguratimod", "target_label": "swainsonine", "cosine_similarity": 0.617845356464386 } }, { "source": "CID:5482874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "rifabutin-bicalutamide similarity", "source_label": "rifabutin", "target_label": "bicalutamide", "cosine_similarity": 0.5853350162506104 } }, { "source": "CID:896331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "ARG-CSC-22-dexloxiglumide similarity", "source_label": "ARG-CSC-22", "target_label": "dexloxiglumide", "cosine_similarity": 0.3184505403041839 } }, { "source": "CID:11219195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "KU-C103658-rhapontin similarity", "source_label": "KU-C103658", "target_label": "rhapontin", "cosine_similarity": 0.2473457008600235 } }, { "source": "CID:2484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7534", "properties": { "id": "butenafine-eucatropine similarity", "source_label": "butenafine", "target_label": "eucatropine", "cosine_similarity": 0.1677071899175644 } }, { "source": "CID:60192328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "SA-1938756-SA-97110 similarity", "source_label": "SA-1938756", "target_label": "SA-97110", "cosine_similarity": 0.2551545202732086 } }, { "source": "CID:54657739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "SA-1458189-camicinal similarity", "source_label": "SA-1458189", "target_label": "camicinal", "cosine_similarity": 0.243283525109291 } }, { "source": "CID:27400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "pizotifen-fluspirilene similarity", "source_label": "pizotifen", "target_label": "fluspirilene", "cosine_similarity": 0.336380124092102 } }, { "source": "CID:2356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604889", "properties": { "id": "bergenin-SB-269970 similarity", "source_label": "bergenin", "target_label": "SB-269970", "cosine_similarity": 0.2335504293441772 } }, { "source": "CID:8982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "nafcillin-DAC-009 similarity", "source_label": "nafcillin", "target_label": "DAC-009", "cosine_similarity": 0.3447848558425903 } }, { "source": "CID:60192484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186973", "properties": { "id": "SA-1925621-SA-1938111 similarity", "source_label": "SA-1925621", "target_label": "SA-1938111", "cosine_similarity": 0.288636177778244 } }, { "source": "CID:37393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25151504", "properties": { "id": "halofantrine-cobicistat similarity", "source_label": "halofantrine", "target_label": "cobicistat", "cosine_similarity": 0.4408617913722992 } }, { "source": "CID:42611257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "vemurafenib-TPCA-1 similarity", "source_label": "vemurafenib", "target_label": "TPCA-1", "cosine_similarity": 0.6580280661582947 } }, { "source": "CID:2893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42642648", "properties": { "id": "cyclandelate-ARRY-334543 similarity", "source_label": "cyclandelate", "target_label": "ARRY-334543", "cosine_similarity": 0.2130704820156097 } }, { "source": "CID:275510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448991", "properties": { "id": "NSC-119889-purvalanol-b similarity", "source_label": "NSC-119889", "target_label": "purvalanol-b", "cosine_similarity": 0.2087023556232452 } }, { "source": "CID:5032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "racephedrine-prima-1-met similarity", "source_label": "racephedrine", "target_label": "prima-1-met", "cosine_similarity": 0.2542248368263244 } }, { "source": "CID:51003685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "CVF-SUMO-14-EMF-sumo1-11 similarity", "source_label": "CVF-SUMO-14", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.7095959186553955 } }, { "source": "CID:11201705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "ivachtin-tolazamide similarity", "source_label": "ivachtin", "target_label": "tolazamide", "cosine_similarity": 0.3365492820739746 } }, { "source": "CID:6093179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "estropipate-ARG-CSC-91 similarity", "source_label": "estropipate", "target_label": "ARG-CSC-91", "cosine_similarity": 0.3407244980335235 } }, { "source": "CID:9956637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "PD-198306-erlotinib similarity", "source_label": "PD-198306", "target_label": "erlotinib", "cosine_similarity": 0.5391044020652771 } }, { "source": "CID:3825829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "mdivi-1-tivantinib similarity", "source_label": "mdivi-1", "target_label": "tivantinib", "cosine_similarity": 0.3125962913036346 } }, { "source": "CID:73707549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "BG-1010-BG-1024 similarity", "source_label": "BG-1010", "target_label": "BG-1024", "cosine_similarity": 0.7104429006576538 } }, { "source": "CID:114811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40532410", "properties": { "id": "florfenicol-chlormadinone similarity", "source_label": "florfenicol", "target_label": "chlormadinone", "cosine_similarity": 0.2236973345279693 } }, { "source": "CID:6419755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "PKCbeta-inhibitor-BAY-61-3606 similarity", "source_label": "PKCbeta-inhibitor", "target_label": "BAY-61-3606", "cosine_similarity": 0.5137327909469604 } }, { "source": "CID:73707545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707350", "properties": { "id": "BG-1028-BG-1029 similarity", "source_label": "BG-1028", "target_label": "BG-1029", "cosine_similarity": 0.5369507670402527 } }, { "source": "CID:5284513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "acitretin-AM-580 similarity", "source_label": "acitretin", "target_label": "AM-580", "cosine_similarity": 0.3189391195774078 } }, { "source": "CID:5282071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "sirolimus-deforolimus similarity", "source_label": "sirolimus", "target_label": "deforolimus", "cosine_similarity": 0.8481098413467407 } }, { "source": "CID:60923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "quiflapon-Ro-28-1675 similarity", "source_label": "quiflapon", "target_label": "Ro-28-1675", "cosine_similarity": 0.4771648943424225 } }, { "source": "CID:59227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "rotigotine-ozagrel similarity", "source_label": "rotigotine", "target_label": "ozagrel", "cosine_similarity": 0.2253174483776092 } }, { "source": "CID:11319053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "telcagepant-dideoxyadenosine similarity", "source_label": "telcagepant", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3744570314884186 } }, { "source": "CID:4539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "norfloxacin-sparfloxacin similarity", "source_label": "norfloxacin", "target_label": "sparfloxacin", "cosine_similarity": 0.4817883372306824 } }, { "source": "CID:71077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "D-serine-actarit similarity", "source_label": "D-serine", "target_label": "actarit", "cosine_similarity": 0.4784093201160431 } }, { "source": "CID:11326715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "ostarine-gemfibrozil similarity", "source_label": "ostarine", "target_label": "gemfibrozil", "cosine_similarity": 0.4895626008510589 } }, { "source": "CID:16758175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "acivicin-methazolamide similarity", "source_label": "acivicin", "target_label": "methazolamide", "cosine_similarity": 0.4171252846717834 } }, { "source": "CID:44602376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "KU-C104127-pifithrin-mu similarity", "source_label": "KU-C104127", "target_label": "pifithrin-mu", "cosine_similarity": 0.2439660280942917 } }, { "source": "CID:71188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "enrofloxacin-phenothiazine similarity", "source_label": "enrofloxacin", "target_label": "phenothiazine", "cosine_similarity": 0.3655076622962951 } }, { "source": "CID:4837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4688", "properties": { "id": "piperazine-pargyline similarity", "source_label": "piperazine", "target_label": "pargyline", "cosine_similarity": 0.2431058436632156 } }, { "source": "CID:44486991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "SA-424577-KU-C104248 similarity", "source_label": "SA-424577", "target_label": "KU-C104248", "cosine_similarity": 0.3331731259822845 } }, { "source": "CID:222515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "brazilin-K784-3131 similarity", "source_label": "brazilin", "target_label": "K784-3131", "cosine_similarity": 0.4877234101295471 } }, { "source": "CID:4192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "midazolam-NCH-51 similarity", "source_label": "midazolam", "target_label": "NCH-51", "cosine_similarity": 0.2537422478199005 } }, { "source": "CID:5468216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "RG-13022-Y-27632 similarity", "source_label": "RG-13022", "target_label": "Y-27632", "cosine_similarity": 0.2554324269294739 } }, { "source": "CID:13109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "levonorgestrel-lacosamide similarity", "source_label": "levonorgestrel", "target_label": "lacosamide", "cosine_similarity": 0.3956028819084167 } }, { "source": "CID:159603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:636403", "properties": { "id": "resiquimod-carbenoxolone similarity", "source_label": "resiquimod", "target_label": "carbenoxolone", "cosine_similarity": 0.2797320187091827 } }, { "source": "CID:44483355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33887", "properties": { "id": "embelin-almitrine similarity", "source_label": "embelin", "target_label": "almitrine", "cosine_similarity": 0.2755423188209533 } }, { "source": "CID:46199646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4725", "properties": { "id": "VX-661-penciclovir similarity", "source_label": "VX-661", "target_label": "penciclovir", "cosine_similarity": 0.2878109812736511 } }, { "source": "CID:67077825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5494449", "properties": { "id": "AZD-7762-tozasertib similarity", "source_label": "AZD-7762", "target_label": "tozasertib", "cosine_similarity": 0.4207334220409393 } }, { "source": "CID:34772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "BE-2254-latanoprost similarity", "source_label": "BE-2254", "target_label": "latanoprost", "cosine_similarity": 0.2841165661811828 } }, { "source": "CID:49835860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "ST-4062971-EMF-sumo1-39 similarity", "source_label": "ST-4062971", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.4703911244869232 } }, { "source": "CID:44593869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13186954", "properties": { "id": "KU-C103884-KU-C103656 similarity", "source_label": "KU-C103884", "target_label": "KU-C103656", "cosine_similarity": 0.3833690583705902 } }, { "source": "CID:9642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "fluocinonide-hydrocortisone similarity", "source_label": "fluocinonide", "target_label": "hydrocortisone", "cosine_similarity": 0.318722128868103 } }, { "source": "CID:3342298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "CTS-1027-PF-03084014 similarity", "source_label": "CTS-1027", "target_label": "PF-03084014", "cosine_similarity": 0.4450300335884094 } }, { "source": "CID:70882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3386873", "properties": { "id": "moxaverine-AH-11110 similarity", "source_label": "moxaverine", "target_label": "AH-11110", "cosine_similarity": 0.3187937140464782 } }, { "source": "CID:54657753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2082", "properties": { "id": "SA-1460110-albendazole similarity", "source_label": "SA-1460110", "target_label": "albendazole", "cosine_similarity": 0.2603519856929779 } }, { "source": "CID:334007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "SEW-00445-DAC-013 similarity", "source_label": "SEW-00445", "target_label": "DAC-013", "cosine_similarity": 0.2727474570274353 } }, { "source": "CID:446556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "pemetrexed-fumonisin-b1 similarity", "source_label": "pemetrexed", "target_label": "fumonisin-b1", "cosine_similarity": 0.4862624406814575 } }, { "source": "CID:53246986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "LY-2979165-sarcosine similarity", "source_label": "LY-2979165", "target_label": "sarcosine", "cosine_similarity": 0.1746335923671722 } }, { "source": "CID:441594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "hippeastrine-Gossypetin similarity", "source_label": "hippeastrine", "target_label": "Gossypetin", "cosine_similarity": 0.305869847536087 } }, { "source": "CID:3289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23789069", "properties": { "id": "ethoprop-nitrarine similarity", "source_label": "ethoprop", "target_label": "nitrarine", "cosine_similarity": 0.2860148549079895 } }, { "source": "CID:44629742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "KU-C104250-SA-101686 similarity", "source_label": "KU-C104250", "target_label": "SA-101686", "cosine_similarity": 0.254804253578186 } }, { "source": "CID:8378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "neomycin-metixene similarity", "source_label": "neomycin", "target_label": "metixene", "cosine_similarity": 0.1986387223005294 } }, { "source": "CID:129211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "tamsulosin-riociguat similarity", "source_label": "tamsulosin", "target_label": "riociguat", "cosine_similarity": 0.3813360929489136 } }, { "source": "CID:24780598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607977", "properties": { "id": "danirixin-KU-C104145 similarity", "source_label": "danirixin", "target_label": "KU-C104145", "cosine_similarity": 0.1614230722188949 } }, { "source": "CID:45375953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "MLN-0128-NVP-BEZ235 similarity", "source_label": "MLN-0128", "target_label": "NVP-BEZ235", "cosine_similarity": 0.9216917157173156 } }, { "source": "CID:2265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "azathioprine-GDC-0199 similarity", "source_label": "azathioprine", "target_label": "GDC-0199", "cosine_similarity": 0.4141882061958313 } }, { "source": "CID:2326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "benproperine-dexloxiglumide similarity", "source_label": "benproperine", "target_label": "dexloxiglumide", "cosine_similarity": 0.3369553089141845 } }, { "source": "CID:11207937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "TMPH-monocrotaline similarity", "source_label": "TMPH", "target_label": "monocrotaline", "cosine_similarity": 0.2972995936870575 } }, { "source": "CID:5353593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666569", "properties": { "id": "DMBI-SA-1920013 similarity", "source_label": "DMBI", "target_label": "SA-1920013", "cosine_similarity": 0.293180763721466 } }, { "source": "CID:4091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "metformin-linsidomine similarity", "source_label": "metformin", "target_label": "linsidomine", "cosine_similarity": 0.4704599976539612 } }, { "source": "CID:4740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "pentoxifylline-cianidanol similarity", "source_label": "pentoxifylline", "target_label": "cianidanol", "cosine_similarity": 0.4670526385307312 } }, { "source": "CID:49843158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "SD-6-035-A10-MW-MITF28 similarity", "source_label": "SD-6-035-A10", "target_label": "MW-MITF28", "cosine_similarity": 0.2795019745826721 } }, { "source": "CID:6328608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "abacavir-acifran similarity", "source_label": "abacavir", "target_label": "acifran", "cosine_similarity": 0.2928218245506286 } }, { "source": "CID:12555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "benzydamine-metixene similarity", "source_label": "benzydamine", "target_label": "metixene", "cosine_similarity": 0.3331770300865173 } }, { "source": "CID:5337366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "SA-25547-puromycin similarity", "source_label": "SA-25547", "target_label": "puromycin", "cosine_similarity": 0.6872446537017822 } }, { "source": "CID:73707385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "TL-AA09-temozolomide similarity", "source_label": "TL-AA09", "target_label": "temozolomide", "cosine_similarity": 0.4126453995704651 } }, { "source": "CID:2343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "benzthiazide-Y-27632 similarity", "source_label": "benzthiazide", "target_label": "Y-27632", "cosine_similarity": 0.3245053291320801 } }, { "source": "CID:44617231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "SA-424371-SA-1919345 similarity", "source_label": "SA-424371", "target_label": "SA-1919345", "cosine_similarity": 0.2781583070755005 } }, { "source": "CID:5286534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "STOCK1S-03920-I-505056 similarity", "source_label": "STOCK1S-03920", "target_label": "I-505056", "cosine_similarity": 0.3938446640968323 } }, { "source": "CID:46944259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "LY-2874455-Ro-4987655 similarity", "source_label": "LY-2874455", "target_label": "Ro-4987655", "cosine_similarity": 0.4694764018058777 } }, { "source": "CID:4008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604918", "properties": { "id": "manidipine-YM-976 similarity", "source_label": "manidipine", "target_label": "YM-976", "cosine_similarity": 0.2900724112987518 } }, { "source": "CID:9592990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "BAS-00535043-RS-17053 similarity", "source_label": "BAS-00535043", "target_label": "RS-17053", "cosine_similarity": 0.6132982969284058 } }, { "source": "CID:2680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "cetraxate-APO-866 similarity", "source_label": "cetraxate", "target_label": "APO-866", "cosine_similarity": 0.2943947911262512 } }, { "source": "CID:2431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "bretylium-MDL-28170 similarity", "source_label": "bretylium", "target_label": "MDL-28170", "cosine_similarity": 0.233157530426979 } }, { "source": "CID:44505045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-419050-SA-441181 similarity", "source_label": "SA-419050", "target_label": "SA-441181", "cosine_similarity": 0.3239837288856506 } }, { "source": "CID:3961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4497", "properties": { "id": "losartan-nimodipine similarity", "source_label": "losartan", "target_label": "nimodipine", "cosine_similarity": 0.4859148859977722 } }, { "source": "CID:5788723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "GBR-12783-FIT similarity", "source_label": "GBR-12783", "target_label": "FIT", "cosine_similarity": 0.3626639544963836 } }, { "source": "CID:51039095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "AZD-4547-BIBU-1361 similarity", "source_label": "AZD-4547", "target_label": "BIBU-1361", "cosine_similarity": 0.4074441790580749 } }, { "source": "CID:9363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "etamivan-NU-1025 similarity", "source_label": "etamivan", "target_label": "NU-1025", "cosine_similarity": 0.3164174258708954 } }, { "source": "CID:39468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "levobunolol-arbutin similarity", "source_label": "levobunolol", "target_label": "arbutin", "cosine_similarity": 0.3057181239128113 } }, { "source": "CID:4735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "pentamidine-rimonabant similarity", "source_label": "pentamidine", "target_label": "rimonabant", "cosine_similarity": 0.3916882872581482 } }, { "source": "CID:44240264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "SRT-1720-CCT-031374 similarity", "source_label": "SRT-1720", "target_label": "CCT-031374", "cosine_similarity": 0.5574800968170166 } }, { "source": "CID:50905713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "IPI-145-ibrutinib similarity", "source_label": "IPI-145", "target_label": "ibrutinib", "cosine_similarity": 0.4336642920970917 } }, { "source": "CID:16667705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "exemestane-sumatriptan similarity", "source_label": "exemestane", "target_label": "sumatriptan", "cosine_similarity": 0.4597494900226593 } }, { "source": "CID:667476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "dienestrol-iproniazid similarity", "source_label": "dienestrol", "target_label": "iproniazid", "cosine_similarity": 0.5394966006278992 } }, { "source": "CID:62959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:483407", "properties": { "id": "trovafloxacin-maraviroc similarity", "source_label": "trovafloxacin", "target_label": "maraviroc", "cosine_similarity": 0.4955133199691772 } }, { "source": "CID:2777391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "T-0070907-cyclosporin-a similarity", "source_label": "T-0070907", "target_label": "cyclosporin-a", "cosine_similarity": 0.354479968547821 } }, { "source": "CID:73707453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707346", "properties": { "id": "benzathine-pyrvinium similarity", "source_label": "benzathine", "target_label": "pyrvinium", "cosine_similarity": 0.2038099467754364 } }, { "source": "CID:5284329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476986", "properties": { "id": "purmorphamine-blebbistatin similarity", "source_label": "purmorphamine", "target_label": "blebbistatin", "cosine_similarity": 0.2991581261157989 } }, { "source": "CID:9910486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4846", "properties": { "id": "SB-705498-pirenoxine similarity", "source_label": "SB-705498", "target_label": "pirenoxine", "cosine_similarity": 0.3409723341464996 } }, { "source": "CID:2812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4680", "properties": { "id": "clotrimazole-papaverine similarity", "source_label": "clotrimazole", "target_label": "papaverine", "cosine_similarity": 0.3692217171192169 } }, { "source": "CID:6419755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "PKCbeta-inhibitor-rucaparib similarity", "source_label": "PKCbeta-inhibitor", "target_label": "rucaparib", "cosine_similarity": 0.5516164898872375 } }, { "source": "CID:3250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "ergometrine-zebularine similarity", "source_label": "ergometrine", "target_label": "zebularine", "cosine_similarity": 0.3355842530727386 } }, { "source": "CID:161591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637858", "properties": { "id": "chaetocin-piperlongumine similarity", "source_label": "chaetocin", "target_label": "piperlongumine", "cosine_similarity": 0.6190152168273926 } }, { "source": "CID:13765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156314", "properties": { "id": "ethylestrenol-dipropyl-5ct similarity", "source_label": "ethylestrenol", "target_label": "dipropyl-5ct", "cosine_similarity": 0.2352687567472458 } }, { "source": "CID:3034756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "formoterol-lorcaserin similarity", "source_label": "formoterol", "target_label": "lorcaserin", "cosine_similarity": 0.5466607809066772 } }, { "source": "CID:44502578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2562", "properties": { "id": "SA-244358-pentoxyverine similarity", "source_label": "SA-244358", "target_label": "pentoxyverine", "cosine_similarity": 0.3816169500350952 } }, { "source": "CID:3476986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483163", "properties": { "id": "blebbistatin-endo-IWR-1 similarity", "source_label": "blebbistatin", "target_label": "endo-IWR-1", "cosine_similarity": 0.4121113419532776 } }, { "source": "CID:6918155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "ciclesonide-clobetasol similarity", "source_label": "ciclesonide", "target_label": "clobetasol", "cosine_similarity": 0.7121610641479492 } }, { "source": "CID:6708703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "deoxyrhapontin-riluzole similarity", "source_label": "deoxyrhapontin", "target_label": "riluzole", "cosine_similarity": 0.2756408751010895 } }, { "source": "CID:44462760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "dabrafenib-sorafenib similarity", "source_label": "dabrafenib", "target_label": "sorafenib", "cosine_similarity": 0.6419714093208313 } }, { "source": "CID:6918140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "MRE-269-everolimus similarity", "source_label": "MRE-269", "target_label": "everolimus", "cosine_similarity": 0.2729063332080841 } }, { "source": "CID:9811834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "sacubitril-diethylcarbamazine similarity", "source_label": "sacubitril", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3454900085926056 } }, { "source": "CID:9930049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56846693", "properties": { "id": "vernakalant-CEP-32496 similarity", "source_label": "vernakalant", "target_label": "CEP-32496", "cosine_similarity": 0.3377328515052795 } }, { "source": "CID:57469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "imiquimod-vinpocetine similarity", "source_label": "imiquimod", "target_label": "vinpocetine", "cosine_similarity": 0.4153103828430176 } }, { "source": "CID:5921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8400", "properties": { "id": "n-nitrosodiethylamine-benzoin similarity", "source_label": "n-nitrosodiethylamine", "target_label": "benzoin", "cosine_similarity": 0.269335001707077 } }, { "source": "CID:60185177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "SA-1925246-gabexate similarity", "source_label": "SA-1925246", "target_label": "gabexate", "cosine_similarity": 0.2912954986095428 } }, { "source": "CID:9051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "dydrogesterone-7-nitroindazole similarity", "source_label": "dydrogesterone", "target_label": "7-nitroindazole", "cosine_similarity": 0.2812150120735168 } }, { "source": "CID:10461815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "PHA-665752-thioridazine similarity", "source_label": "PHA-665752", "target_label": "thioridazine", "cosine_similarity": 0.4032593965530395 } }, { "source": "CID:4673190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "ganglioside-EMF-csc-9 similarity", "source_label": "ganglioside", "target_label": "EMF-csc-9", "cosine_similarity": 0.3144585192203522 } }, { "source": "CID:8400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "benzoin-SB-239063 similarity", "source_label": "benzoin", "target_label": "SB-239063", "cosine_similarity": 0.2328117489814758 } }, { "source": "CID:195165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "SR-95639A-fumonisin-b1 similarity", "source_label": "SR-95639A", "target_label": "fumonisin-b1", "cosine_similarity": 0.2550664246082306 } }, { "source": "CID:2146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "aminoguanidine-pritelivir similarity", "source_label": "aminoguanidine", "target_label": "pritelivir", "cosine_similarity": 0.5783590078353882 } }, { "source": "CID:861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "rathyronine-CAM-9-021 similarity", "source_label": "rathyronine", "target_label": "CAM-9-021", "cosine_similarity": 0.3680467009544372 } }, { "source": "CID:91617630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "daprodustat-VU-0418934-2 similarity", "source_label": "daprodustat", "target_label": "VU-0418934-2", "cosine_similarity": 0.5168098211288452 } }, { "source": "CID:688020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "crotamiton-flumetasone similarity", "source_label": "crotamiton", "target_label": "flumetasone", "cosine_similarity": 0.2821277678012848 } }, { "source": "CID:135179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707441", "properties": { "id": "EMD-41000-YL-60 similarity", "source_label": "EMD-41000", "target_label": "YL-60", "cosine_similarity": 0.2173431515693664 } }, { "source": "CID:29243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "tetrahydrouridine-macitentan similarity", "source_label": "tetrahydrouridine", "target_label": "macitentan", "cosine_similarity": 0.8036000728607178 } }, { "source": "CID:398148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:790", "properties": { "id": "NU-6027-hypoxanthine similarity", "source_label": "NU-6027", "target_label": "hypoxanthine", "cosine_similarity": 0.3740682601928711 } }, { "source": "CID:5289501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "TTNPB-tamibarotene similarity", "source_label": "TTNPB", "target_label": "tamibarotene", "cosine_similarity": 0.3999841213226318 } }, { "source": "CID:9834591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:766949", "properties": { "id": "LY-2140023-JNK-IN-5A similarity", "source_label": "LY-2140023", "target_label": "JNK-IN-5A", "cosine_similarity": 0.4017646610736847 } }, { "source": "CID:8569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "dioxybenzone-darinaparsin similarity", "source_label": "dioxybenzone", "target_label": "darinaparsin", "cosine_similarity": 0.2427306622266769 } }, { "source": "CID:46238405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "RAN-29-masitinib similarity", "source_label": "RAN-29", "target_label": "masitinib", "cosine_similarity": 0.2783458530902862 } }, { "source": "CID:4170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "metolazone-cholic-acid similarity", "source_label": "metolazone", "target_label": "cholic-acid", "cosine_similarity": 0.3915481865406036 } }, { "source": "CID:24889392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "quizartinib-lomerizine similarity", "source_label": "quizartinib", "target_label": "lomerizine", "cosine_similarity": 0.3762432932853699 } }, { "source": "CID:5059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "REV-5901-CGS-20625 similarity", "source_label": "REV-5901", "target_label": "CGS-20625", "cosine_similarity": 0.4505902230739593 } }, { "source": "CID:4203080", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "L-655708-dipyrocetyl similarity", "source_label": "L-655708", "target_label": "dipyrocetyl", "cosine_similarity": 0.3191052675247192 } }, { "source": "CID:5712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "YC-1-ryuvidine similarity", "source_label": "YC-1", "target_label": "ryuvidine", "cosine_similarity": 0.3962779343128204 } }, { "source": "CID:10831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73364", "properties": { "id": "diperodon-calpeptin similarity", "source_label": "diperodon", "target_label": "calpeptin", "cosine_similarity": 0.2597110569477081 } }, { "source": "CID:1218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9836739", "properties": { "id": "SKF-81297-PNU-74654 similarity", "source_label": "SKF-81297", "target_label": "PNU-74654", "cosine_similarity": 0.2612922787666321 } }, { "source": "CID:2055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11292680", "properties": { "id": "AG-494-ARP-101 similarity", "source_label": "AG-494", "target_label": "ARP-101", "cosine_similarity": 0.3541743457317352 } }, { "source": "CID:5329103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "SU-11652-cymarin similarity", "source_label": "SU-11652", "target_label": "cymarin", "cosine_similarity": 0.2971069514751434 } }, { "source": "CID:16112820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312529", "properties": { "id": "neurodazine-eicosatrienoic-acid similarity", "source_label": "neurodazine", "target_label": "eicosatrienoic-acid", "cosine_similarity": 0.3108366727828979 } }, { "source": "CID:9967941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4521392", "properties": { "id": "SB-525334-SB-431542 similarity", "source_label": "SB-525334", "target_label": "SB-431542", "cosine_similarity": 0.4254505932331085 } }, { "source": "CID:60184300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-1938867-SA-97378 similarity", "source_label": "SA-1938867", "target_label": "SA-97378", "cosine_similarity": 0.3176103234291076 } }, { "source": "CID:6604789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "RS-56812-UB-165 similarity", "source_label": "RS-56812", "target_label": "UB-165", "cosine_similarity": 0.3909304738044739 } }, { "source": "CID:4574540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "IRL-2500-BMS-641988 similarity", "source_label": "IRL-2500", "target_label": "BMS-641988", "cosine_similarity": 0.291668176651001 } }, { "source": "CID:6572379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65599", "properties": { "id": "PSH-013-lomifylline similarity", "source_label": "PSH-013", "target_label": "lomifylline", "cosine_similarity": 0.3096598088741302 } }, { "source": "CID:5962587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "triacetylresveratrol-bicalutamide similarity", "source_label": "triacetylresveratrol", "target_label": "bicalutamide", "cosine_similarity": 0.219477966427803 } }, { "source": "CID:46943258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "VU-0424206-1-nadolol similarity", "source_label": "VU-0424206-1", "target_label": "nadolol", "cosine_similarity": 0.2767115831375122 } }, { "source": "CID:3689415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "K784-3187-EMF-sumo1-39 similarity", "source_label": "K784-3187", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7707195281982422 } }, { "source": "CID:4621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "oxetacaine-GR-127935 similarity", "source_label": "oxetacaine", "target_label": "GR-127935", "cosine_similarity": 0.2134418785572052 } }, { "source": "CID:119032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "NO-ASA-F-1566-0341 similarity", "source_label": "NO-ASA", "target_label": "F-1566-0341", "cosine_similarity": 0.5420622825622559 } }, { "source": "CID:21874557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60753", "properties": { "id": "vipadenant-ibutilide similarity", "source_label": "vipadenant", "target_label": "ibutilide", "cosine_similarity": 0.2817608416080475 } }, { "source": "CID:2578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "carmustine-fexofenadine similarity", "source_label": "carmustine", "target_label": "fexofenadine", "cosine_similarity": 0.2978338003158569 } }, { "source": "CID:5281542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "harpagoside-minoxidil similarity", "source_label": "harpagoside", "target_label": "minoxidil", "cosine_similarity": 0.2357896566390991 } }, { "source": "CID:6445540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "ixabepilone-paclitaxel similarity", "source_label": "ixabepilone", "target_label": "paclitaxel", "cosine_similarity": 0.8585178256034851 } }, { "source": "CID:54668959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668627", "properties": { "id": "SA-1919710-SA-1922659 similarity", "source_label": "SA-1919710", "target_label": "SA-1922659", "cosine_similarity": 0.3143987357616424 } }, { "source": "CID:56839178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "TP-0903-dinaciclib similarity", "source_label": "TP-0903", "target_label": "dinaciclib", "cosine_similarity": 0.7201653718948364 } }, { "source": "CID:2484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "butenafine-SA-1460008 similarity", "source_label": "butenafine", "target_label": "SA-1460008", "cosine_similarity": 0.1619765907526016 } }, { "source": "CID:3406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702063", "properties": { "id": "fomepizole-guanaben-acetate similarity", "source_label": "fomepizole", "target_label": "guanaben-acetate", "cosine_similarity": 0.4306910634040832 } }, { "source": "CID:73707436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707364", "properties": { "id": "YL-52-I-212148 similarity", "source_label": "YL-52", "target_label": "I-212148", "cosine_similarity": 0.2677273154258728 } }, { "source": "CID:5036604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "eugenitol-JPR-3-97-17 similarity", "source_label": "eugenitol", "target_label": "JPR-3-97-17", "cosine_similarity": 0.2930231690406799 } }, { "source": "CID:34772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "BE-2254-CVF-SUMO-7 similarity", "source_label": "BE-2254", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.3432359397411346 } }, { "source": "CID:23748533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "ML-3163-SB-203580 similarity", "source_label": "ML-3163", "target_label": "SB-203580", "cosine_similarity": 0.251005470752716 } }, { "source": "CID:1646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "tramiprosate-topiramate similarity", "source_label": "tramiprosate", "target_label": "topiramate", "cosine_similarity": 0.3624299168586731 } }, { "source": "CID:44112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5385074", "properties": { "id": "bopindolol-kakonein similarity", "source_label": "bopindolol", "target_label": "kakonein", "cosine_similarity": 0.3927154541015625 } }, { "source": "CID:16720766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "MLN-4924-delanzomib similarity", "source_label": "MLN-4924", "target_label": "delanzomib", "cosine_similarity": 0.4831048250198364 } }, { "source": "CID:6610261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44818131", "properties": { "id": "L-744832-diaminoquinazoline similarity", "source_label": "L-744832", "target_label": "diaminoquinazoline", "cosine_similarity": 0.2286593317985534 } }, { "source": "CID:471161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "maribavir-aminocaproic-acid similarity", "source_label": "maribavir", "target_label": "aminocaproic-acid", "cosine_similarity": 0.3324400782585144 } }, { "source": "CID:11646777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "LY-2334737-troglitazone similarity", "source_label": "LY-2334737", "target_label": "troglitazone", "cosine_similarity": 0.256615936756134 } }, { "source": "CID:46843906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "XMD-1150-BI-2536 similarity", "source_label": "XMD-1150", "target_label": "BI-2536", "cosine_similarity": 0.7570263743400574 } }, { "source": "CID:32798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "clobetasol-methylprednisolone similarity", "source_label": "clobetasol", "target_label": "methylprednisolone", "cosine_similarity": 0.7027755379676819 } }, { "source": "CID:108107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "benzamil-idelalisib similarity", "source_label": "benzamil", "target_label": "idelalisib", "cosine_similarity": 0.2814206182956695 } }, { "source": "CID:2819152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918837", "properties": { "id": "KM-00927-panobinostat similarity", "source_label": "KM-00927", "target_label": "panobinostat", "cosine_similarity": 0.8049957752227783 } }, { "source": "CID:73707364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23844163", "properties": { "id": "I-212148-NK42-I-109-1 similarity", "source_label": "I-212148", "target_label": "NK42-I-109-1", "cosine_similarity": 0.2702332735061645 } }, { "source": "CID:123631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1401", "properties": { "id": "gefitinib-PD-173074 similarity", "source_label": "gefitinib", "target_label": "PD-173074", "cosine_similarity": 0.5519582629203796 } }, { "source": "CID:5381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "tazarotene-dideoxyadenosine similarity", "source_label": "tazarotene", "target_label": "dideoxyadenosine", "cosine_similarity": 0.4000654220581054 } }, { "source": "CID:213023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3676", "properties": { "id": "dabigatran-etexilate-lidocaine similarity", "source_label": "dabigatran-etexilate", "target_label": "lidocaine", "cosine_similarity": 0.3563965857028961 } }, { "source": "CID:24906282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "KIN001-043-SB-216763 similarity", "source_label": "KIN001-043", "target_label": "SB-216763", "cosine_similarity": 0.5072712898254395 } }, { "source": "CID:6714003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "cyproterone-GW-9508 similarity", "source_label": "cyproterone", "target_label": "GW-9508", "cosine_similarity": 0.2315448671579361 } }, { "source": "CID:54667998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "SA-1920080-SA-1456734 similarity", "source_label": "SA-1920080", "target_label": "SA-1456734", "cosine_similarity": 0.2886156141757965 } }, { "source": "CID:7108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "phenothiazine-darinaparsin similarity", "source_label": "phenothiazine", "target_label": "darinaparsin", "cosine_similarity": 0.4515171349048614 } }, { "source": "CID:5717737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "SAL-003-CGK-733 similarity", "source_label": "SAL-003", "target_label": "CGK-733", "cosine_similarity": 0.4488126337528229 } }, { "source": "CID:2484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "butenafine-cefprozil similarity", "source_label": "butenafine", "target_label": "cefprozil", "cosine_similarity": 0.1627761423587799 } }, { "source": "CID:151166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "lumiracoxib-liranaftate similarity", "source_label": "lumiracoxib", "target_label": "liranaftate", "cosine_similarity": 0.2873181998729706 } }, { "source": "CID:9862248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11691726", "properties": { "id": "sobetirome-balapiravir similarity", "source_label": "sobetirome", "target_label": "balapiravir", "cosine_similarity": 0.3075631558895111 } }, { "source": "CID:6918638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "belinostat-SB-939 similarity", "source_label": "belinostat", "target_label": "SB-939", "cosine_similarity": 0.7983955144882202 } }, { "source": "CID:72200818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "GSK-J1-JNJ-38877605 similarity", "source_label": "GSK-J1", "target_label": "JNJ-38877605", "cosine_similarity": 0.4544244110584259 } }, { "source": "CID:3135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353593", "properties": { "id": "SU-4312-DMBI similarity", "source_label": "SU-4312", "target_label": "DMBI", "cosine_similarity": 0.2256934940814972 } }, { "source": "CID:110634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "vardenafil-bitopertin similarity", "source_label": "vardenafil", "target_label": "bitopertin", "cosine_similarity": 0.405596524477005 } }, { "source": "CID:4062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "mepivacaine-inositol similarity", "source_label": "mepivacaine", "target_label": "inositol", "cosine_similarity": 0.7539007663726807 } }, { "source": "CID:3646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "hydrocotarnine-Gossypetin similarity", "source_label": "hydrocotarnine", "target_label": "Gossypetin", "cosine_similarity": 0.3337405323982239 } }, { "source": "CID:9949641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "NPI-2358-vinblastine similarity", "source_label": "NPI-2358", "target_label": "vinblastine", "cosine_similarity": 0.579340934753418 } }, { "source": "CID:4057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4832", "properties": { "id": "mepenzolate-pipenzolate similarity", "source_label": "mepenzolate", "target_label": "pipenzolate", "cosine_similarity": 0.261661559343338 } }, { "source": "CID:119182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "clofarabine-fdcyd similarity", "source_label": "clofarabine", "target_label": "fdcyd", "cosine_similarity": 0.7040025591850281 } }, { "source": "CID:11703255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11998575", "properties": { "id": "resatorvid-palomid-529 similarity", "source_label": "resatorvid", "target_label": "palomid-529", "cosine_similarity": 0.5743710994720459 } }, { "source": "CID:9956146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "JDTic-raloxifene similarity", "source_label": "JDTic", "target_label": "raloxifene", "cosine_similarity": 0.2659668028354645 } }, { "source": "CID:3455588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854195", "properties": { "id": "ST-4075437-KUC104235N similarity", "source_label": "ST-4075437", "target_label": "KUC104235N", "cosine_similarity": 0.2682496607303619 } }, { "source": "CID:1622530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "coumaric-acid-BMS-191011 similarity", "source_label": "coumaric-acid", "target_label": "BMS-191011", "cosine_similarity": 0.2776476740837097 } }, { "source": "CID:5723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "zardaverine-tolnaftate similarity", "source_label": "zardaverine", "target_label": "tolnaftate", "cosine_similarity": 0.4089885652065277 } }, { "source": "CID:46783527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "taurocholic-acid-LFM-A13 similarity", "source_label": "taurocholic-acid", "target_label": "LFM-A13", "cosine_similarity": 0.3332415223121643 } }, { "source": "CID:54660081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503242", "properties": { "id": "SA-1456859-SA-244587 similarity", "source_label": "SA-1456859", "target_label": "SA-244587", "cosine_similarity": 0.2934535145759582 } }, { "source": "CID:65957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "pazufloxacin-AZD-7687 similarity", "source_label": "pazufloxacin", "target_label": "AZD-7687", "cosine_similarity": 0.3537238538265228 } }, { "source": "CID:54616417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490269", "properties": { "id": "SA-424755-SA-102787 similarity", "source_label": "SA-424755", "target_label": "SA-102787", "cosine_similarity": 0.3223665654659271 } }, { "source": "CID:5850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "pentolinium-ST-059620 similarity", "source_label": "pentolinium", "target_label": "ST-059620", "cosine_similarity": 0.2056087404489517 } }, { "source": "CID:44483281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3610881", "properties": { "id": "GW-4064-EMF-sumo1-5 similarity", "source_label": "GW-4064", "target_label": "EMF-sumo1-5", "cosine_similarity": 0.21417897939682 } }, { "source": "CID:60464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "sparfloxacin-linsidomine similarity", "source_label": "sparfloxacin", "target_label": "linsidomine", "cosine_similarity": 0.5627574920654297 } }, { "source": "CID:4006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "malotilate-diazoxide similarity", "source_label": "malotilate", "target_label": "diazoxide", "cosine_similarity": 0.4569622874259949 } }, { "source": "CID:57782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "lisofylline-nafamostat similarity", "source_label": "lisofylline", "target_label": "nafamostat", "cosine_similarity": 0.3069692254066467 } }, { "source": "CID:54657729", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "SA-1459454-epicatechin similarity", "source_label": "SA-1459454", "target_label": "epicatechin", "cosine_similarity": 0.3186461925506592 } }, { "source": "CID:131414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "NCS-382-GW-1929 similarity", "source_label": "NCS-382", "target_label": "GW-1929", "cosine_similarity": 0.3617744147777557 } }, { "source": "CID:44494424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483885", "properties": { "id": "SA-103021-SA-244237 similarity", "source_label": "SA-103021", "target_label": "SA-244237", "cosine_similarity": 0.3287166953086853 } }, { "source": "CID:45281798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918736", "properties": { "id": "VU-0365118-1-rigosertib similarity", "source_label": "VU-0365118-1", "target_label": "rigosertib", "cosine_similarity": 0.3953823745250702 } }, { "source": "CID:5362124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "benazepril-milnacipran similarity", "source_label": "benazepril", "target_label": "milnacipran", "cosine_similarity": 0.3522381484508514 } }, { "source": "CID:6726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "cyclizine-diazoxide similarity", "source_label": "cyclizine", "target_label": "diazoxide", "cosine_similarity": 0.5158196687698364 } }, { "source": "CID:7083563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "floxuridine-mitomycin-c similarity", "source_label": "floxuridine", "target_label": "mitomycin-c", "cosine_similarity": 0.7836058139801025 } }, { "source": "CID:224859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2878746", "properties": { "id": "PETCM-STK-064652 similarity", "source_label": "PETCM", "target_label": "STK-064652", "cosine_similarity": 0.2110098600387573 } }, { "source": "CID:2801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "clomipramine-CAY-10594 similarity", "source_label": "clomipramine", "target_label": "CAY-10594", "cosine_similarity": 0.7074404954910278 } }, { "source": "CID:54666593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-1920687-SA-1921996 similarity", "source_label": "SA-1920687", "target_label": "SA-1921996", "cosine_similarity": 0.2359756082296371 } }, { "source": "CID:1403142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "biochanin-a-gossypin similarity", "source_label": "biochanin-a", "target_label": "gossypin", "cosine_similarity": 0.3385936319828033 } }, { "source": "CID:11539025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "LY-2228820-methazolamide similarity", "source_label": "LY-2228820", "target_label": "methazolamide", "cosine_similarity": 0.3386073112487793 } }, { "source": "CID:3689416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "K784-3188-K784-3131 similarity", "source_label": "K784-3188", "target_label": "K784-3131", "cosine_similarity": 0.8466416597366333 } }, { "source": "CID:4828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "pindolol-chlorpropamide similarity", "source_label": "pindolol", "target_label": "chlorpropamide", "cosine_similarity": 0.5062288641929626 } }, { "source": "CID:44483977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "DM-55-3-L-ergothioneine similarity", "source_label": "DM-55-3", "target_label": "L-ergothioneine", "cosine_similarity": 0.5019657611846924 } }, { "source": "CID:73438900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "JS-K-ryuvidine similarity", "source_label": "JS-K", "target_label": "ryuvidine", "cosine_similarity": 0.3147125542163849 } }, { "source": "CID:322968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "PRIMA1-amisulpride similarity", "source_label": "PRIMA1", "target_label": "amisulpride", "cosine_similarity": 0.5361648797988892 } }, { "source": "CID:2431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "bretylium-leu-enkephalin similarity", "source_label": "bretylium", "target_label": "leu-enkephalin", "cosine_similarity": 0.2422223687171936 } }, { "source": "CID:54657739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657742", "properties": { "id": "SA-1458189-SA-1455791 similarity", "source_label": "SA-1458189", "target_label": "SA-1455791", "cosine_similarity": 0.2803309261798858 } }, { "source": "CID:5280569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3156173", "properties": { "id": "daphnetin-ST-014366 similarity", "source_label": "daphnetin", "target_label": "ST-014366", "cosine_similarity": 0.2605642974376678 } }, { "source": "CID:65663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "aloxistatin-alaproclate similarity", "source_label": "aloxistatin", "target_label": "alaproclate", "cosine_similarity": 0.1793002039194107 } }, { "source": "CID:3826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ketorolac-anandamide similarity", "source_label": "ketorolac", "target_label": "anandamide", "cosine_similarity": 0.4750831723213196 } }, { "source": "CID:16218996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943258", "properties": { "id": "beclometasone-VU-0424206-1 similarity", "source_label": "beclometasone", "target_label": "VU-0424206-1", "cosine_similarity": 0.2985104620456695 } }, { "source": "CID:46926575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46940575", "properties": { "id": "MW-A1-14-GDC-0152 similarity", "source_label": "MW-A1-14", "target_label": "GDC-0152", "cosine_similarity": 0.2314164340496063 } }, { "source": "CID:4705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107641", "properties": { "id": "PD-153035-indobufen similarity", "source_label": "PD-153035", "target_label": "indobufen", "cosine_similarity": 0.2615079581737518 } }, { "source": "CID:2406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "bithionol-rhodomyrtoxin-b similarity", "source_label": "bithionol", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.6994659900665283 } }, { "source": "CID:24872560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4168", "properties": { "id": "ARN-509-metoclopramide similarity", "source_label": "ARN-509", "target_label": "metoclopramide", "cosine_similarity": 0.2528702318668365 } }, { "source": "CID:72551585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "UNC-1999-trifluoperazine similarity", "source_label": "UNC-1999", "target_label": "trifluoperazine", "cosine_similarity": 0.581091582775116 } }, { "source": "CID:115210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "ZK-93426-E-2012 similarity", "source_label": "ZK-93426", "target_label": "E-2012", "cosine_similarity": 0.3230964541435241 } }, { "source": "CID:71158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6082", "properties": { "id": "acamprosate-methoxamine similarity", "source_label": "acamprosate", "target_label": "methoxamine", "cosine_similarity": 0.2537335455417633 } }, { "source": "CID:5576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "trimethadione-phenoxazine similarity", "source_label": "trimethadione", "target_label": "phenoxazine", "cosine_similarity": 0.291357159614563 } }, { "source": "CID:11234049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "tedizolid-emtricitabine similarity", "source_label": "tedizolid", "target_label": "emtricitabine", "cosine_similarity": 0.3341960310935974 } }, { "source": "CID:24794418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "BMS-777607-ketorolac similarity", "source_label": "BMS-777607", "target_label": "ketorolac", "cosine_similarity": 0.3725960552692413 } }, { "source": "CID:5458428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "cytochalasin-d-wortmannin similarity", "source_label": "cytochalasin-d", "target_label": "wortmannin", "cosine_similarity": 0.4893905520439148 } }, { "source": "CID:4452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "nemonapride-meglitinide similarity", "source_label": "nemonapride", "target_label": "meglitinide", "cosine_similarity": 0.5027924180030823 } }, { "source": "CID:3675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "phenelzine-PT-630 similarity", "source_label": "phenelzine", "target_label": "PT-630", "cosine_similarity": 0.4059333801269531 } }, { "source": "CID:10479060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487334", "properties": { "id": "BAY-59-3074-SA-89705 similarity", "source_label": "BAY-59-3074", "target_label": "SA-89705", "cosine_similarity": 0.2203354686498642 } }, { "source": "CID:3926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "lidoflazine-apafant similarity", "source_label": "lidoflazine", "target_label": "apafant", "cosine_similarity": 0.3640539050102234 } }, { "source": "CID:3396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "fluspirilene-trifluoperazine similarity", "source_label": "fluspirilene", "target_label": "trifluoperazine", "cosine_similarity": 0.5694210529327393 } }, { "source": "CID:9847023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "prednisolone-hemisuccinate-dexamethasone similarity", "source_label": "prednisolone-hemisuccinate", "target_label": "dexamethasone", "cosine_similarity": 0.4107481837272644 } }, { "source": "CID:4236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610281", "properties": { "id": "modafinil-lithium-chloride similarity", "source_label": "modafinil", "target_label": "lithium-chloride", "cosine_similarity": 0.4572503864765167 } }, { "source": "CID:135787369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "BG-1020-MW-MITF28 similarity", "source_label": "BG-1020", "target_label": "MW-MITF28", "cosine_similarity": 0.289059579372406 } }, { "source": "CID:16759169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "ACDPP-metacetamol similarity", "source_label": "ACDPP", "target_label": "metacetamol", "cosine_similarity": 0.3256081342697143 } }, { "source": "CID:2757788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "4-chlorophenylguanidine-phenacemide similarity", "source_label": "4-chlorophenylguanidine", "target_label": "phenacemide", "cosine_similarity": 0.2963771820068359 } }, { "source": "CID:16220172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "ivacaftor-enzalutamide similarity", "source_label": "ivacaftor", "target_label": "enzalutamide", "cosine_similarity": 0.356507271528244 } }, { "source": "CID:40486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "A-23187-puromycin similarity", "source_label": "A-23187", "target_label": "puromycin", "cosine_similarity": 0.5909555554389954 } }, { "source": "CID:104758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "raltitrexed-clofarabine similarity", "source_label": "raltitrexed", "target_label": "clofarabine", "cosine_similarity": 0.6768487691879272 } }, { "source": "CID:54658632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-1456977-SA-103013 similarity", "source_label": "SA-1456977", "target_label": "SA-103013", "cosine_similarity": 0.2925412356853485 } }, { "source": "CID:73707407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72193870", "properties": { "id": "doxercalciferol-QW-BI-011 similarity", "source_label": "doxercalciferol", "target_label": "QW-BI-011", "cosine_similarity": 0.2447218745946884 } }, { "source": "CID:2733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2757788", "properties": { "id": "chlorzoxazone-4-chlorophenylguanidine similarity", "source_label": "chlorzoxazone", "target_label": "4-chlorophenylguanidine", "cosine_similarity": 0.183045819401741 } }, { "source": "CID:154257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "bazedoxifene-raloxifene similarity", "source_label": "bazedoxifene", "target_label": "raloxifene", "cosine_similarity": 0.4187111258506775 } }, { "source": "CID:4396344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "5'-guanidinonaltrindole-rhapontin similarity", "source_label": "5'-guanidinonaltrindole", "target_label": "rhapontin", "cosine_similarity": 0.2626978158950805 } }, { "source": "CID:667550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2549", "properties": { "id": "dexketoprofen-capsazepine similarity", "source_label": "dexketoprofen", "target_label": "capsazepine", "cosine_similarity": 0.3123227655887604 } }, { "source": "CID:1560402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SMER-28-gossypin similarity", "source_label": "SMER-28", "target_label": "gossypin", "cosine_similarity": 0.3695628643035888 } }, { "source": "CID:44240264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "SRT-1720-UNC-0638 similarity", "source_label": "SRT-1720", "target_label": "UNC-0638", "cosine_similarity": 0.5340324640274048 } }, { "source": "CID:17753743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "oprozomib-MLN-9708 similarity", "source_label": "oprozomib", "target_label": "MLN-9708", "cosine_similarity": 0.8586973547935486 } }, { "source": "CID:128919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "xaliproden-naftidrofuryl similarity", "source_label": "xaliproden", "target_label": "naftidrofuryl", "cosine_similarity": 0.3345271944999695 } }, { "source": "CID:4644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51537051", "properties": { "id": "oxypurinol-LDN-57444 similarity", "source_label": "oxypurinol", "target_label": "LDN-57444", "cosine_similarity": 0.4537815153598785 } }, { "source": "CID:4431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "NAN-190-TCPOBOP similarity", "source_label": "NAN-190", "target_label": "TCPOBOP", "cosine_similarity": 0.1836609840393066 } }, { "source": "CID:95801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "BTS-dipyrocetyl similarity", "source_label": "BTS", "target_label": "dipyrocetyl", "cosine_similarity": 0.4642053842544555 } }, { "source": "CID:25226380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "enobosarm-fananserin similarity", "source_label": "enobosarm", "target_label": "fananserin", "cosine_similarity": 0.2411634027957916 } }, { "source": "CID:476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494424", "properties": { "id": "mevalonic-acid-SA-103021 similarity", "source_label": "mevalonic-acid", "target_label": "SA-103021", "cosine_similarity": 0.2504247725009918 } }, { "source": "CID:9795867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "LFM-A12-KIN001-055 similarity", "source_label": "LFM-A12", "target_label": "KIN001-055", "cosine_similarity": 0.3019846081733703 } }, { "source": "CID:130325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "SA-792709-cerulenin similarity", "source_label": "SA-792709", "target_label": "cerulenin", "cosine_similarity": 0.6938591003417969 } }, { "source": "CID:4296446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "VU-0447127-2-DAC-004 similarity", "source_label": "VU-0447127-2", "target_label": "DAC-004", "cosine_similarity": 0.236013725399971 } }, { "source": "CID:11581936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "PF-02545920-masitinib similarity", "source_label": "PF-02545920", "target_label": "masitinib", "cosine_similarity": 0.370234727859497 } }, { "source": "CID:11270783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9841834", "properties": { "id": "GS-6201-istaroxime similarity", "source_label": "GS-6201", "target_label": "istaroxime", "cosine_similarity": 0.1998611837625503 } }, { "source": "CID:2448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "bromperidol-MW-MITF24 similarity", "source_label": "bromperidol", "target_label": "MW-MITF24", "cosine_similarity": 0.2136799991130828 } }, { "source": "CID:9839311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610267", "properties": { "id": "A-205804-EI-231 similarity", "source_label": "A-205804", "target_label": "EI-231", "cosine_similarity": 0.30193030834198 } }, { "source": "CID:54669118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "SA-1921902-PSH-010 similarity", "source_label": "SA-1921902", "target_label": "PSH-010", "cosine_similarity": 0.2215060293674469 } }, { "source": "CID:44602378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "KU-C104129-DM-161 similarity", "source_label": "KU-C104129", "target_label": "DM-161", "cosine_similarity": 0.285021036863327 } }, { "source": "CID:46926973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56962337", "properties": { "id": "LGK-974-SGC-0946 similarity", "source_label": "LGK-974", "target_label": "SGC-0946", "cosine_similarity": 0.4841147661209106 } }, { "source": "CID:24066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1646", "properties": { "id": "zalcitabine-tramiprosate similarity", "source_label": "zalcitabine", "target_label": "tramiprosate", "cosine_similarity": 0.3285187482833862 } }, { "source": "CID:3009355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "vicriviroc-perindopril similarity", "source_label": "vicriviroc", "target_label": "perindopril", "cosine_similarity": 0.280549556016922 } }, { "source": "CID:187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4207396", "properties": { "id": "acetylcholine-ST-014147 similarity", "source_label": "acetylcholine", "target_label": "ST-014147", "cosine_similarity": 0.260603129863739 } }, { "source": "CID:73707463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4410", "properties": { "id": "lymecycline-nadifloxacin similarity", "source_label": "lymecycline", "target_label": "nadifloxacin", "cosine_similarity": 0.2232728749513626 } }, { "source": "CID:16759997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "cyanopindolol-BMS-641988 similarity", "source_label": "cyanopindolol", "target_label": "BMS-641988", "cosine_similarity": 0.2562305629253387 } }, { "source": "CID:5056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "resveratrol-phenoxazine similarity", "source_label": "resveratrol", "target_label": "phenoxazine", "cosine_similarity": 0.4015401601791382 } }, { "source": "CID:2833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "colchicine-nocodazole similarity", "source_label": "colchicine", "target_label": "nocodazole", "cosine_similarity": 0.8148120045661926 } }, { "source": "CID:148201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "tariquidar-trifluoperazine similarity", "source_label": "tariquidar", "target_label": "trifluoperazine", "cosine_similarity": 0.2810964286327362 } }, { "source": "CID:66490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445621", "properties": { "id": "NCI-16221-glucosamine similarity", "source_label": "NCI-16221", "target_label": "glucosamine", "cosine_similarity": 0.2467865049839019 } }, { "source": "CID:3447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "gabexate-guanabenz similarity", "source_label": "gabexate", "target_label": "guanabenz", "cosine_similarity": 0.3428210616111755 } }, { "source": "CID:57469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "imiquimod-marbofloxacin similarity", "source_label": "imiquimod", "target_label": "marbofloxacin", "cosine_similarity": 0.4049841165542602 } }, { "source": "CID:16094766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "GP-2a-gatifloxacin similarity", "source_label": "GP-2a", "target_label": "gatifloxacin", "cosine_similarity": 0.2324037998914718 } }, { "source": "CID:447905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "GW-3965-L-ergothioneine similarity", "source_label": "GW-3965", "target_label": "L-ergothioneine", "cosine_similarity": 0.3677789270877838 } }, { "source": "CID:9953065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4632", "properties": { "id": "SLV-320-oxybenzone similarity", "source_label": "SLV-320", "target_label": "oxybenzone", "cosine_similarity": 0.3002775013446808 } }, { "source": "CID:26248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "diacerein-VX-222 similarity", "source_label": "diacerein", "target_label": "VX-222", "cosine_similarity": 0.3615307807922363 } }, { "source": "CID:5174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:821257", "properties": { "id": "SC-68376-RAN-14A similarity", "source_label": "SC-68376", "target_label": "RAN-14A", "cosine_similarity": 0.2829793393611908 } }, { "source": "CID:6604915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "OMDM-2-TW-37 similarity", "source_label": "OMDM-2", "target_label": "TW-37", "cosine_similarity": 0.2710628509521484 } }, { "source": "CID:7029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:492405", "properties": { "id": "amfepramone-favipiravir similarity", "source_label": "amfepramone", "target_label": "favipiravir", "cosine_similarity": 0.2727037668228149 } }, { "source": "CID:213046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "lurasidone-dinoprost similarity", "source_label": "lurasidone", "target_label": "dinoprost", "cosine_similarity": 0.4218031466007232 } }, { "source": "CID:1261822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ML-193-gossypin similarity", "source_label": "ML-193", "target_label": "gossypin", "cosine_similarity": 0.264916181564331 } }, { "source": "CID:92786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "eltanolone-sulfanitran similarity", "source_label": "eltanolone", "target_label": "sulfanitran", "cosine_similarity": 0.5578817129135132 } }, { "source": "CID:23902994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "BL-077-HO-013 similarity", "source_label": "BL-077", "target_label": "HO-013", "cosine_similarity": 0.3178792893886566 } }, { "source": "CID:5429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "theobromine-taranabant similarity", "source_label": "theobromine", "target_label": "taranabant", "cosine_similarity": 0.5704979300498962 } }, { "source": "CID:4996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "pyroxamide-dacinostat similarity", "source_label": "pyroxamide", "target_label": "dacinostat", "cosine_similarity": 0.5399969816207886 } }, { "source": "CID:3567002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "RS-100329-APO-866 similarity", "source_label": "RS-100329", "target_label": "APO-866", "cosine_similarity": 0.2934057712554931 } }, { "source": "CID:65747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4363", "properties": { "id": "reserpic-acid-N-formylmethionylalanine similarity", "source_label": "reserpic-acid", "target_label": "N-formylmethionylalanine", "cosine_similarity": 0.2691868841648102 } }, { "source": "CID:25227462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191454", "properties": { "id": "PF-03758309-PHA-793887 similarity", "source_label": "PF-03758309", "target_label": "PHA-793887", "cosine_similarity": 0.7280309200286865 } }, { "source": "CID:9961192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "L-161982-hydrocortisone-acetate similarity", "source_label": "L-161982", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3684289455413818 } }, { "source": "CID:4519822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "MRS-1334-GW-1929 similarity", "source_label": "MRS-1334", "target_label": "GW-1929", "cosine_similarity": 0.2936333417892456 } }, { "source": "CID:11617559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "GW-2580-granisetron similarity", "source_label": "GW-2580", "target_label": "granisetron", "cosine_similarity": 0.4025153517723083 } }, { "source": "CID:6852167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "PIK-93-AZD-5363 similarity", "source_label": "PIK-93", "target_label": "AZD-5363", "cosine_similarity": 0.3470300436019897 } }, { "source": "CID:45375809", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "PSI-7976-histamine similarity", "source_label": "PSI-7976", "target_label": "histamine", "cosine_similarity": 0.3216519951820373 } }, { "source": "CID:4780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8357", "properties": { "id": "1-phenylbiguanide-eudesmic-acid similarity", "source_label": "1-phenylbiguanide", "target_label": "eudesmic-acid", "cosine_similarity": 0.2475791871547699 } }, { "source": "CID:5011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "quipazine-nadolol similarity", "source_label": "quipazine", "target_label": "nadolol", "cosine_similarity": 0.2851579785346985 } }, { "source": "CID:5281051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "hypericin-granisetron similarity", "source_label": "hypericin", "target_label": "granisetron", "cosine_similarity": 0.5086146593093872 } }, { "source": "CID:643951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "necrostatin-1-PRIMA1 similarity", "source_label": "necrostatin-1", "target_label": "PRIMA1", "cosine_similarity": 0.3592132925987243 } }, { "source": "CID:54669462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658741", "properties": { "id": "SA-1922796-SA-1459187 similarity", "source_label": "SA-1922796", "target_label": "SA-1459187", "cosine_similarity": 0.2793299555778503 } }, { "source": "CID:11095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "eriodictyol-morin similarity", "source_label": "eriodictyol", "target_label": "morin", "cosine_similarity": 0.334862619638443 } }, { "source": "CID:67475270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2132", "properties": { "id": "LY-3000328-ambroxol similarity", "source_label": "LY-3000328", "target_label": "ambroxol", "cosine_similarity": 0.1764134913682937 } }, { "source": "CID:4917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3386", "properties": { "id": "prochlorperazine-fluoxetine similarity", "source_label": "prochlorperazine", "target_label": "fluoxetine", "cosine_similarity": 0.3555609285831451 } }, { "source": "CID:4934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "propantheline-granisetron similarity", "source_label": "propantheline", "target_label": "granisetron", "cosine_similarity": 0.2193330526351928 } }, { "source": "CID:17754438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "PF-04217903-PT-630 similarity", "source_label": "PF-04217903", "target_label": "PT-630", "cosine_similarity": 0.3956738710403442 } }, { "source": "CID:5702094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65999", "properties": { "id": "norethindrone-telmisartan similarity", "source_label": "norethindrone", "target_label": "telmisartan", "cosine_similarity": 0.2998465299606323 } }, { "source": "CID:5702041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "digitoxin-ouabain similarity", "source_label": "digitoxin", "target_label": "ouabain", "cosine_similarity": 0.7428785562515259 } }, { "source": "CID:5702051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "estradiol-cypionate-lorazepam similarity", "source_label": "estradiol-cypionate", "target_label": "lorazepam", "cosine_similarity": 0.4801645874977112 } }, { "source": "CID:5105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:839770", "properties": { "id": "roxatidine-RAN-14B similarity", "source_label": "roxatidine", "target_label": "RAN-14B", "cosine_similarity": 0.2595476508140564 } }, { "source": "CID:44483281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:861", "properties": { "id": "GW-4064-rathyronine similarity", "source_label": "GW-4064", "target_label": "rathyronine", "cosine_similarity": 0.2557136714458465 } }, { "source": "CID:10212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "imperatorin-PT-630 similarity", "source_label": "imperatorin", "target_label": "PT-630", "cosine_similarity": 0.2437441349029541 } }, { "source": "CID:3749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "irbesartan-bicalutamide similarity", "source_label": "irbesartan", "target_label": "bicalutamide", "cosine_similarity": 0.3315599858760834 } }, { "source": "CID:2725417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "RDR-01440SC-AICA-ribonucleotide similarity", "source_label": "RDR-01440SC", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2678383588790893 } }, { "source": "CID:4755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448912", "properties": { "id": "phenamil-aloisine similarity", "source_label": "phenamil", "target_label": "aloisine", "cosine_similarity": 0.2912060022354126 } }, { "source": "CID:5143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "saccharin-granisetron similarity", "source_label": "saccharin", "target_label": "granisetron", "cosine_similarity": 0.2774917185306549 } }, { "source": "CID:54654478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:709391", "properties": { "id": "SA-1472548-MW-STK33-2A similarity", "source_label": "SA-1472548", "target_label": "MW-STK33-2A", "cosine_similarity": 0.2703012526035309 } }, { "source": "CID:24880028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24788740", "properties": { "id": "ALW-II-38-3-GDC-0068 similarity", "source_label": "ALW-II-38-3", "target_label": "GDC-0068", "cosine_similarity": 0.4758203029632568 } }, { "source": "CID:3946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "lobenzarit-sarcosine similarity", "source_label": "lobenzarit", "target_label": "sarcosine", "cosine_similarity": 0.3939408659934997 } }, { "source": "CID:9801969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "EO-1428-phenacemide similarity", "source_label": "EO-1428", "target_label": "phenacemide", "cosine_similarity": 0.2770268619060516 } }, { "source": "CID:54613929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "SA-243276-SA-1456734 similarity", "source_label": "SA-243276", "target_label": "SA-1456734", "cosine_similarity": 0.2446367144584655 } }, { "source": "CID:60186978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-1938219-SA-1458610 similarity", "source_label": "SA-1938219", "target_label": "SA-1458610", "cosine_similarity": 0.3250476121902466 } }, { "source": "CID:183782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483335", "properties": { "id": "RS-67333-GW-311616 similarity", "source_label": "RS-67333", "target_label": "GW-311616", "cosine_similarity": 0.2184299230575561 } }, { "source": "CID:3473417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44828477", "properties": { "id": "VU-0447126-2-KUC104542N similarity", "source_label": "VU-0447126-2", "target_label": "KUC104542N", "cosine_similarity": 0.272414356470108 } }, { "source": "CID:5282136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "lafutidine-PYM-50028 similarity", "source_label": "lafutidine", "target_label": "PYM-50028", "cosine_similarity": 0.5133079290390015 } }, { "source": "CID:2820134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857791", "properties": { "id": "KM-03472SC-sappanone-a similarity", "source_label": "KM-03472SC", "target_label": "sappanone-a", "cosine_similarity": 0.2460110932588577 } }, { "source": "CID:16741282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "SDM-25N-clopidogrel similarity", "source_label": "SDM-25N", "target_label": "clopidogrel", "cosine_similarity": 0.2752916216850281 } }, { "source": "CID:54667575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "SA-1921599-NNC-55-0396 similarity", "source_label": "SA-1921599", "target_label": "NNC-55-0396", "cosine_similarity": 0.290938138961792 } }, { "source": "CID:44488751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "SA-422830-meclofenamic-acid similarity", "source_label": "SA-422830", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3118015825748443 } }, { "source": "CID:3101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71481097", "properties": { "id": "diphenyleneiodonium-KPT-330 similarity", "source_label": "diphenyleneiodonium", "target_label": "KPT-330", "cosine_similarity": 0.3086518049240112 } }, { "source": "CID:334007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "SEW-00445-amisulpride similarity", "source_label": "SEW-00445", "target_label": "amisulpride", "cosine_similarity": 0.3003486692905426 } }, { "source": "CID:3248571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "SB-258585-selinidin similarity", "source_label": "SB-258585", "target_label": "selinidin", "cosine_similarity": 0.22420534491539 } }, { "source": "CID:5218788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4423767", "properties": { "id": "SIB-1757-STK-674938 similarity", "source_label": "SIB-1757", "target_label": "STK-674938", "cosine_similarity": 0.3008041083812713 } }, { "source": "CID:3998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "mafenide-cefotaxime similarity", "source_label": "mafenide", "target_label": "cefotaxime", "cosine_similarity": 0.3187600672245025 } }, { "source": "CID:2830510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "salubrinal-SKI-II similarity", "source_label": "salubrinal", "target_label": "SKI-II", "cosine_similarity": 0.32593634724617 } }, { "source": "CID:72124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "siguazodan-meglitinide similarity", "source_label": "siguazodan", "target_label": "meglitinide", "cosine_similarity": 0.3697098195552826 } }, { "source": "CID:24951314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "ISOX-HC-toxin similarity", "source_label": "ISOX", "target_label": "HC-toxin", "cosine_similarity": 0.815893828868866 } }, { "source": "CID:7083563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "floxuridine-gemcitabine similarity", "source_label": "floxuridine", "target_label": "gemcitabine", "cosine_similarity": 0.8243257403373718 } }, { "source": "CID:5312111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "NF-449-actarit similarity", "source_label": "NF-449", "target_label": "actarit", "cosine_similarity": 0.4625063836574554 } }, { "source": "CID:73707445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2743956", "properties": { "id": "nicardipine-SPB02137 similarity", "source_label": "nicardipine", "target_label": "SPB02137", "cosine_similarity": 0.2930324077606201 } }, { "source": "CID:6166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60910", "properties": { "id": "desoxycortone-mifobate similarity", "source_label": "desoxycortone", "target_label": "mifobate", "cosine_similarity": 0.22275210916996 } }, { "source": "CID:44607587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "KU-C104141-Gly-Gly-PALO similarity", "source_label": "KU-C104141", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2596032619476318 } }, { "source": "CID:6445533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918638", "properties": { "id": "dacinostat-belinostat similarity", "source_label": "dacinostat", "target_label": "belinostat", "cosine_similarity": 0.8470606207847595 } }, { "source": "CID:5281855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "ellagic-acid-Gly-Gly-PALO similarity", "source_label": "ellagic-acid", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4078817367553711 } }, { "source": "CID:54657678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487597", "properties": { "id": "SA-1456443-SA-440832 similarity", "source_label": "SA-1456443", "target_label": "SA-440832", "cosine_similarity": 0.2982214391231537 } }, { "source": "CID:54659352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659308", "properties": { "id": "SA-1455884-SA-1457169 similarity", "source_label": "SA-1455884", "target_label": "SA-1457169", "cosine_similarity": 0.2469691634178161 } }, { "source": "CID:57390074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "AP-26113-CEP-37440 similarity", "source_label": "AP-26113", "target_label": "CEP-37440", "cosine_similarity": 0.5602710247039795 } }, { "source": "CID:3830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "kinetin-DMNB similarity", "source_label": "kinetin", "target_label": "DMNB", "cosine_similarity": 0.2880153059959411 } }, { "source": "CID:6610353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "staurosporine-dactinomycin similarity", "source_label": "staurosporine", "target_label": "dactinomycin", "cosine_similarity": 0.5959926247596741 } }, { "source": "CID:11296583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "pirarubicin-idarubicin similarity", "source_label": "pirarubicin", "target_label": "idarubicin", "cosine_similarity": 0.5761082768440247 } }, { "source": "CID:3994476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2973", "properties": { "id": "MM77-deferoxamine-mesylate similarity", "source_label": "MM77", "target_label": "deferoxamine-mesylate", "cosine_similarity": 0.4834963381290436 } }, { "source": "CID:73707447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "lanatoside-c-proscillaridin similarity", "source_label": "lanatoside-c", "target_label": "proscillaridin", "cosine_similarity": 0.6284651160240173 } }, { "source": "CID:124087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "desloratadine-GR-127935 similarity", "source_label": "desloratadine", "target_label": "GR-127935", "cosine_similarity": 0.3064815998077392 } }, { "source": "CID:68077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "tangeritin-fasudil similarity", "source_label": "tangeritin", "target_label": "fasudil", "cosine_similarity": 0.2388722896575927 } }, { "source": "CID:44137675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "AZD-6482-ZSTK-474 similarity", "source_label": "AZD-6482", "target_label": "ZSTK-474", "cosine_similarity": 0.6993610262870789 } }, { "source": "CID:9416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "testosterone-enanthate-tolcapone similarity", "source_label": "testosterone-enanthate", "target_label": "tolcapone", "cosine_similarity": 0.1477406322956085 } }, { "source": "CID:5681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25226380", "properties": { "id": "W-7-enobosarm similarity", "source_label": "W-7", "target_label": "enobosarm", "cosine_similarity": 0.2759257853031158 } }, { "source": "CID:54658318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1457188-SA-96816 similarity", "source_label": "SA-1457188", "target_label": "SA-96816", "cosine_similarity": 0.3663142323493957 } }, { "source": "CID:3822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "ketanserin-L-655240 similarity", "source_label": "ketanserin", "target_label": "L-655240", "cosine_similarity": 0.3720680773258209 } }, { "source": "CID:23919667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "DY-44-FTI-276 similarity", "source_label": "DY-44", "target_label": "FTI-276", "cosine_similarity": 0.2762571275234222 } }, { "source": "CID:3397945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "hydrastinine-ARG-TC-41 similarity", "source_label": "hydrastinine", "target_label": "ARG-TC-41", "cosine_similarity": 0.3186973333358764 } }, { "source": "CID:3921152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "D-64131-parbendazole similarity", "source_label": "D-64131", "target_label": "parbendazole", "cosine_similarity": 0.8782477974891663 } }, { "source": "CID:156391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11154555", "properties": { "id": "naproxen-cariprazine similarity", "source_label": "naproxen", "target_label": "cariprazine", "cosine_similarity": 0.3969312906265259 } }, { "source": "CID:17534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "6-aminochrysene-Gossypetin similarity", "source_label": "6-aminochrysene", "target_label": "Gossypetin", "cosine_similarity": 0.2270059436559677 } }, { "source": "CID:210332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "reversine-BMS-754807 similarity", "source_label": "reversine", "target_label": "BMS-754807", "cosine_similarity": 0.485504150390625 } }, { "source": "CID:3741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707499", "properties": { "id": "ioversol-paromomycin similarity", "source_label": "ioversol", "target_label": "paromomycin", "cosine_similarity": 0.2668566107749939 } }, { "source": "CID:3336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "fendiline-SA-1921456 similarity", "source_label": "fendiline", "target_label": "SA-1921456", "cosine_similarity": 0.3210034072399139 } }, { "source": "CID:2354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "diminazene-aceturate-diethylcarbamazine similarity", "source_label": "diminazene-aceturate", "target_label": "diethylcarbamazine", "cosine_similarity": 0.325346440076828 } }, { "source": "CID:54667764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484501", "properties": { "id": "SA-1920756-SA-244466 similarity", "source_label": "SA-1920756", "target_label": "SA-244466", "cosine_similarity": 0.3402474820613861 } }, { "source": "CID:5282375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "etretinate-SA-419010 similarity", "source_label": "etretinate", "target_label": "SA-419010", "cosine_similarity": 0.1844114065170288 } }, { "source": "CID:107992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "MK-212-amikacin similarity", "source_label": "MK-212", "target_label": "amikacin", "cosine_similarity": 0.5993092656135559 } }, { "source": "CID:2353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "berberine-bemegride similarity", "source_label": "berberine", "target_label": "bemegride", "cosine_similarity": 0.4572394490242004 } }, { "source": "CID:54667998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190539", "properties": { "id": "SA-1920080-SA-1939945 similarity", "source_label": "SA-1920080", "target_label": "SA-1939945", "cosine_similarity": 0.3284239470958709 } }, { "source": "CID:5735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "zopiclone-rolipram similarity", "source_label": "zopiclone", "target_label": "rolipram", "cosine_similarity": 0.3751892447471618 } }, { "source": "CID:45259135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10666", "properties": { "id": "VU-0415108-1-ricinine similarity", "source_label": "VU-0415108-1", "target_label": "ricinine", "cosine_similarity": 0.2355389297008514 } }, { "source": "CID:2578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "carmustine-marbofloxacin similarity", "source_label": "carmustine", "target_label": "marbofloxacin", "cosine_similarity": 0.3102671205997467 } }, { "source": "CID:5312114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "CGP-71683-NNC-55-0396 similarity", "source_label": "CGP-71683", "target_label": "NNC-55-0396", "cosine_similarity": 0.794522225856781 } }, { "source": "CID:6915744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "roxithromycin-ibutamoren similarity", "source_label": "roxithromycin", "target_label": "ibutamoren", "cosine_similarity": 0.4112972319126129 } }, { "source": "CID:44505769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "SA-418267-myricetin similarity", "source_label": "SA-418267", "target_label": "myricetin", "cosine_similarity": 0.301319807767868 } }, { "source": "CID:1218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "SKF-81297-sorafenib similarity", "source_label": "SKF-81297", "target_label": "sorafenib", "cosine_similarity": 0.2404494285583496 } }, { "source": "CID:54669344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4534086", "properties": { "id": "SA-1919667-KB-R7943 similarity", "source_label": "SA-1919667", "target_label": "KB-R7943", "cosine_similarity": 0.2488606721162796 } }, { "source": "CID:6708769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "buddleoflavonoloside-gatifloxacin similarity", "source_label": "buddleoflavonoloside", "target_label": "gatifloxacin", "cosine_similarity": 0.2768916487693786 } }, { "source": "CID:44484222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659352", "properties": { "id": "SA-90024-SA-1455884 similarity", "source_label": "SA-90024", "target_label": "SA-1455884", "cosine_similarity": 0.3428367078304291 } }, { "source": "CID:5169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "SB-202190-TAK-715 similarity", "source_label": "SB-202190", "target_label": "TAK-715", "cosine_similarity": 0.2718090116977691 } }, { "source": "CID:5701990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5560", "properties": { "id": "testosterone-propionate-trichlormethiazide similarity", "source_label": "testosterone-propionate", "target_label": "trichlormethiazide", "cosine_similarity": 0.1769594550132751 } }, { "source": "CID:441853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "cymarin-proscillaridin similarity", "source_label": "cymarin", "target_label": "proscillaridin", "cosine_similarity": 0.8470603823661804 } }, { "source": "CID:400169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "SC-144-TW-37 similarity", "source_label": "SC-144", "target_label": "TW-37", "cosine_similarity": 0.7746068239212036 } }, { "source": "CID:73438900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3634881", "properties": { "id": "JS-K-CCT036477 similarity", "source_label": "JS-K", "target_label": "CCT036477", "cosine_similarity": 0.4895096123218536 } }, { "source": "CID:9820766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "PD-160170-cerulenin similarity", "source_label": "PD-160170", "target_label": "cerulenin", "cosine_similarity": 0.4039896130561828 } }, { "source": "CID:16760141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "moxidectin-cilostazol similarity", "source_label": "moxidectin", "target_label": "cilostazol", "cosine_similarity": 0.3887462913990021 } }, { "source": "CID:135409468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26987", "properties": { "id": "desmethylclozapine-clemastine similarity", "source_label": "desmethylclozapine", "target_label": "clemastine", "cosine_similarity": 0.4335584044456482 } }, { "source": "CID:16061185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "mead-ethanolamide-Y-27632 similarity", "source_label": "mead-ethanolamide", "target_label": "Y-27632", "cosine_similarity": 0.3242786228656769 } }, { "source": "CID:164509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160254", "properties": { "id": "talampanel-cryptotanshinone similarity", "source_label": "talampanel", "target_label": "cryptotanshinone", "cosine_similarity": 0.234640434384346 } }, { "source": "CID:3803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "JLK-6-NSC-3852 similarity", "source_label": "JLK-6", "target_label": "NSC-3852", "cosine_similarity": 0.5755994915962219 } }, { "source": "CID:456389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9642", "properties": { "id": "diclazuril-fluocinonide similarity", "source_label": "diclazuril", "target_label": "fluocinonide", "cosine_similarity": 0.1257440596818924 } }, { "source": "CID:210332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "reversine-PP-110 similarity", "source_label": "reversine", "target_label": "PP-110", "cosine_similarity": 0.4735777378082275 } }, { "source": "CID:9874913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "CP-724714-lacosamide similarity", "source_label": "CP-724714", "target_label": "lacosamide", "cosine_similarity": 0.3296786844730377 } }, { "source": "CID:44295709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445713", "properties": { "id": "RTI-55-farnesylpyrophosphate similarity", "source_label": "RTI-55", "target_label": "farnesylpyrophosphate", "cosine_similarity": 0.2250615507364273 } }, { "source": "CID:5280881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "prostaglandin-b2-TUL-XX025TFA similarity", "source_label": "prostaglandin-b2", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2865481078624725 } }, { "source": "CID:453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "mannitol-PRIMA1 similarity", "source_label": "mannitol", "target_label": "PRIMA1", "cosine_similarity": 0.3605218827724457 } }, { "source": "CID:11548630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "Ro-4987655-PD-0325901 similarity", "source_label": "Ro-4987655", "target_label": "PD-0325901", "cosine_similarity": 0.740269660949707 } }, { "source": "CID:481747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "ryuvidine-STK-397047 similarity", "source_label": "ryuvidine", "target_label": "STK-397047", "cosine_similarity": 0.6224690675735474 } }, { "source": "CID:4673492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "ZD-7155-temozolomide similarity", "source_label": "ZD-7155", "target_label": "temozolomide", "cosine_similarity": 0.2887483239173889 } }, { "source": "CID:54666569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284329", "properties": { "id": "SA-1920013-purmorphamine similarity", "source_label": "SA-1920013", "target_label": "purmorphamine", "cosine_similarity": 0.2866799235343933 } }, { "source": "CID:9834591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "LY-2140023-nocodazole similarity", "source_label": "LY-2140023", "target_label": "nocodazole", "cosine_similarity": 0.4185705482959747 } }, { "source": "CID:44818131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "diaminoquinazoline-EMF-bca1-16 similarity", "source_label": "diaminoquinazoline", "target_label": "EMF-bca1-16", "cosine_similarity": 0.3423485159873962 } }, { "source": "CID:421610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "GANT-61-NTNCB similarity", "source_label": "GANT-61", "target_label": "NTNCB", "cosine_similarity": 0.3634957373142242 } }, { "source": "CID:5281707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156314", "properties": { "id": "coumestrol-dipropyl-5ct similarity", "source_label": "coumestrol", "target_label": "dipropyl-5ct", "cosine_similarity": 0.3351209163665771 } }, { "source": "CID:4674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "pamidronate-oleoylethanolamide similarity", "source_label": "pamidronate", "target_label": "oleoylethanolamide", "cosine_similarity": 0.226596787571907 } }, { "source": "CID:4687238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "L-693403-NU-1025 similarity", "source_label": "L-693403", "target_label": "NU-1025", "cosine_similarity": 0.2175456434488296 } }, { "source": "CID:73707386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "prima-1-met-DL-TBOA similarity", "source_label": "prima-1-met", "target_label": "DL-TBOA", "cosine_similarity": 0.4460678994655609 } }, { "source": "CID:5063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "RHC-80267-minoxidil similarity", "source_label": "RHC-80267", "target_label": "minoxidil", "cosine_similarity": 0.2356341630220413 } }, { "source": "CID:57379345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548953", "properties": { "id": "ceritinib-clomifene similarity", "source_label": "ceritinib", "target_label": "clomifene", "cosine_similarity": 0.5146125555038452 } }, { "source": "CID:6918852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191454", "properties": { "id": "R-547-PHA-793887 similarity", "source_label": "R-547", "target_label": "PHA-793887", "cosine_similarity": 0.6988335847854614 } }, { "source": "CID:11957722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "terguride-FTI-276 similarity", "source_label": "terguride", "target_label": "FTI-276", "cosine_similarity": 0.2568116784095764 } }, { "source": "CID:657237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "fludarabine-estradiol-cypionate similarity", "source_label": "fludarabine", "target_label": "estradiol-cypionate", "cosine_similarity": 0.4716366529464721 } }, { "source": "CID:3059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "diflunisal-tafamidis-meglumine similarity", "source_label": "diflunisal", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.3661532700061798 } }, { "source": "CID:72200818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "GSK-J1-UNC-1215 similarity", "source_label": "GSK-J1", "target_label": "UNC-1215", "cosine_similarity": 0.5675016641616821 } }, { "source": "CID:6917960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60751", "properties": { "id": "KBG-temoporfin similarity", "source_label": "KBG", "target_label": "temoporfin", "cosine_similarity": 0.3828509449958801 } }, { "source": "CID:1687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "3-CPMT-broxyquinoline similarity", "source_label": "3-CPMT", "target_label": "broxyquinoline", "cosine_similarity": 0.5804710388183594 } }, { "source": "CID:62389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "6-benzylaminopurine-ipratropium similarity", "source_label": "6-benzylaminopurine", "target_label": "ipratropium", "cosine_similarity": 0.2355805188417434 } }, { "source": "CID:46869951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5011", "properties": { "id": "VU-0400193-3-quipazine similarity", "source_label": "VU-0400193-3", "target_label": "quipazine", "cosine_similarity": 0.2575334012508392 } }, { "source": "CID:4887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130313", "properties": { "id": "pranlukast-sulbactam similarity", "source_label": "pranlukast", "target_label": "sulbactam", "cosine_similarity": 0.2102777063846588 } }, { "source": "CID:5870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "estrone-thiazolopyrimidine similarity", "source_label": "estrone", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.4227159023284912 } }, { "source": "CID:4034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "meclizine-oxiconazole similarity", "source_label": "meclizine", "target_label": "oxiconazole", "cosine_similarity": 0.4453878104686737 } }, { "source": "CID:6433109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5910", "properties": { "id": "XBD-173-pilocarpine similarity", "source_label": "XBD-173", "target_label": "pilocarpine", "cosine_similarity": 0.3178769648075104 } }, { "source": "CID:3455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9806489", "properties": { "id": "vanoxerine-ZK-164015 similarity", "source_label": "vanoxerine", "target_label": "ZK-164015", "cosine_similarity": 0.3603774011135101 } }, { "source": "CID:65399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914946", "properties": { "id": "triciribine-GSK-2126458 similarity", "source_label": "triciribine", "target_label": "GSK-2126458", "cosine_similarity": 0.4506501257419586 } }, { "source": "CID:71183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "methscopolamine-rilmenidine similarity", "source_label": "methscopolamine", "target_label": "rilmenidine", "cosine_similarity": 0.273621529340744 } }, { "source": "CID:4018928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4950", "properties": { "id": "sulpiride-propylthiouracil similarity", "source_label": "sulpiride", "target_label": "propylthiouracil", "cosine_similarity": 0.4100748896598816 } }, { "source": "CID:1048267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "ML-161-darinaparsin similarity", "source_label": "ML-161", "target_label": "darinaparsin", "cosine_similarity": 0.3681503236293793 } }, { "source": "CID:9806489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "ZK-164015-cyclosporin-a similarity", "source_label": "ZK-164015", "target_label": "cyclosporin-a", "cosine_similarity": 0.5284329652786255 } }, { "source": "CID:148121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "pralatrexate-amsacrine similarity", "source_label": "pralatrexate", "target_label": "amsacrine", "cosine_similarity": 0.6110689640045166 } }, { "source": "CID:9886086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "Ro-28-1675-vemurafenib similarity", "source_label": "Ro-28-1675", "target_label": "vemurafenib", "cosine_similarity": 0.6395214796066284 } }, { "source": "CID:4449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40692", "properties": { "id": "nefazodone-mefloquine similarity", "source_label": "nefazodone", "target_label": "mefloquine", "cosine_similarity": 0.4368880987167358 } }, { "source": "CID:445319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "S-isopropylisothiourea-furazolidone similarity", "source_label": "S-isopropylisothiourea", "target_label": "furazolidone", "cosine_similarity": 0.864892303943634 } }, { "source": "CID:7061041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:180559", "properties": { "id": "ethisterone-esatenolol similarity", "source_label": "ethisterone", "target_label": "esatenolol", "cosine_similarity": 0.1982817649841308 } }, { "source": "CID:4728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "penicillic-acid-NSC-95397 similarity", "source_label": "penicillic-acid", "target_label": "NSC-95397", "cosine_similarity": 0.3952415883541107 } }, { "source": "CID:6610313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720932", "properties": { "id": "ryanodine-ST-012525 similarity", "source_label": "ryanodine", "target_label": "ST-012525", "cosine_similarity": 0.3017717897891998 } }, { "source": "CID:4708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "PD-168393-Ro-4987655 similarity", "source_label": "PD-168393", "target_label": "Ro-4987655", "cosine_similarity": 0.5394811630249023 } }, { "source": "CID:5503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "tolazamide-phenothiazine similarity", "source_label": "tolazamide", "target_label": "phenothiazine", "cosine_similarity": 0.407628446817398 } }, { "source": "CID:673465", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "evoxine-marbofloxacin similarity", "source_label": "evoxine", "target_label": "marbofloxacin", "cosine_similarity": 0.3265871703624725 } }, { "source": "CID:44620122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2264", "properties": { "id": "SD-6-035-A9-azasetron similarity", "source_label": "SD-6-035-A9", "target_label": "azasetron", "cosine_similarity": 0.2839260101318359 } }, { "source": "CID:71748056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "QL-XII-47-anisomycin similarity", "source_label": "QL-XII-47", "target_label": "anisomycin", "cosine_similarity": 0.7119869589805603 } }, { "source": "CID:54657728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2266", "properties": { "id": "SA-1459224-azelaic-acid similarity", "source_label": "SA-1459224", "target_label": "azelaic-acid", "cosine_similarity": 0.2276292890310287 } }, { "source": "CID:969472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2662", "properties": { "id": "eszopiclone-celecoxib similarity", "source_label": "eszopiclone", "target_label": "celecoxib", "cosine_similarity": 0.1819946467876434 } }, { "source": "CID:441074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "quinidine-fomepizole similarity", "source_label": "quinidine", "target_label": "fomepizole", "cosine_similarity": 0.3511789441108703 } }, { "source": "CID:4988454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "Z160-GSK-J1 similarity", "source_label": "Z160", "target_label": "GSK-J1", "cosine_similarity": 0.2618277072906494 } }, { "source": "CID:637542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1676", "properties": { "id": "naringeninic-acid-enprofylline similarity", "source_label": "naringeninic-acid", "target_label": "enprofylline", "cosine_similarity": 0.207247644662857 } }, { "source": "CID:73707426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72385", "properties": { "id": "alfacalcidol-nonoxynol-9 similarity", "source_label": "alfacalcidol", "target_label": "nonoxynol-9", "cosine_similarity": 0.3568301200866699 } }, { "source": "CID:54615019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-424827-SA-1458610 similarity", "source_label": "SA-424827", "target_label": "SA-1458610", "cosine_similarity": 0.3032698631286621 } }, { "source": "CID:5394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "temozolomide-APO-866 similarity", "source_label": "temozolomide", "target_label": "APO-866", "cosine_similarity": 0.4843796491622925 } }, { "source": "CID:3651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "hydroxyamphetamine-IDRA-21 similarity", "source_label": "hydroxyamphetamine", "target_label": "IDRA-21", "cosine_similarity": 0.4179513454437256 } }, { "source": "CID:622606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "desmethylclomipramine-fluvastatin similarity", "source_label": "desmethylclomipramine", "target_label": "fluvastatin", "cosine_similarity": 0.289244532585144 } }, { "source": "CID:5702068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "hydrocortisone-acetate-KU-C104137 similarity", "source_label": "hydrocortisone-acetate", "target_label": "KU-C104137", "cosine_similarity": 0.3875362575054168 } }, { "source": "CID:53484654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "tetrahydrobiopterin-fumonisin-b1 similarity", "source_label": "tetrahydrobiopterin", "target_label": "fumonisin-b1", "cosine_similarity": 0.2976325452327728 } }, { "source": "CID:4784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22094941", "properties": { "id": "PMSF-norcitalopram similarity", "source_label": "PMSF", "target_label": "norcitalopram", "cosine_similarity": 0.2289440482854843 } }, { "source": "CID:5503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "tolazamide-zolpidem similarity", "source_label": "tolazamide", "target_label": "zolpidem", "cosine_similarity": 0.4439760744571686 } }, { "source": "CID:71655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65626", "properties": { "id": "moroxydine-dimesna similarity", "source_label": "moroxydine", "target_label": "dimesna", "cosine_similarity": 0.1790841668844223 } }, { "source": "CID:6852167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "PIK-93-KU-0063794 similarity", "source_label": "PIK-93", "target_label": "KU-0063794", "cosine_similarity": 0.3657823204994201 } }, { "source": "CID:6708725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "gedunin-AG-957 similarity", "source_label": "gedunin", "target_label": "AG-957", "cosine_similarity": 0.3481108844280243 } }, { "source": "CID:60187506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2130404", "properties": { "id": "SA-1937516-AGK-2 similarity", "source_label": "SA-1937516", "target_label": "AGK-2", "cosine_similarity": 0.2168041765689849 } }, { "source": "CID:16129704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9910224", "properties": { "id": "bivalirudin-zibotentan similarity", "source_label": "bivalirudin", "target_label": "zibotentan", "cosine_similarity": 0.2352294623851776 } }, { "source": "CID:25031915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57697", "properties": { "id": "lucitanib-pemirolast similarity", "source_label": "lucitanib", "target_label": "pemirolast", "cosine_similarity": 0.3858500123023987 } }, { "source": "CID:5013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "N-methylquipazine-KU-C104236N similarity", "source_label": "N-methylquipazine", "target_label": "KU-C104236N", "cosine_similarity": 0.3018608391284942 } }, { "source": "CID:16747776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "CHEMBL-399379-I-070759 similarity", "source_label": "CHEMBL-399379", "target_label": "I-070759", "cosine_similarity": 0.514793336391449 } }, { "source": "CID:54841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "atomoxetine-phenylbutazone similarity", "source_label": "atomoxetine", "target_label": "phenylbutazone", "cosine_similarity": 0.283040702342987 } }, { "source": "CID:49766538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3950", "properties": { "id": "MW-RAS9-lomustine similarity", "source_label": "MW-RAS9", "target_label": "lomustine", "cosine_similarity": 0.3470566868782043 } }, { "source": "CID:54657728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489454", "properties": { "id": "SA-1459224-SA-84902 similarity", "source_label": "SA-1459224", "target_label": "SA-84902", "cosine_similarity": 0.306302011013031 } }, { "source": "CID:31508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "proquazone-LGK-974 similarity", "source_label": "proquazone", "target_label": "LGK-974", "cosine_similarity": 0.2763537466526031 } }, { "source": "CID:2688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "CGP-37157-enzalutamide similarity", "source_label": "CGP-37157", "target_label": "enzalutamide", "cosine_similarity": 0.4265272319316864 } }, { "source": "CID:127861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "BMY-45778-EMF-sumo1-11 similarity", "source_label": "BMY-45778", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.4963296055793762 } }, { "source": "CID:5351542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44496365", "properties": { "id": "morphothebaine-SA-243929 similarity", "source_label": "morphothebaine", "target_label": "SA-243929", "cosine_similarity": 0.3136970400810241 } }, { "source": "CID:3822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "ketanserin-cabergoline similarity", "source_label": "ketanserin", "target_label": "cabergoline", "cosine_similarity": 0.3770111203193664 } }, { "source": "CID:9888030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "NNC-05-2090-BIBU-1361 similarity", "source_label": "NNC-05-2090", "target_label": "BIBU-1361", "cosine_similarity": 0.4124890267848968 } }, { "source": "CID:3953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "lonidamine-actarit similarity", "source_label": "lonidamine", "target_label": "actarit", "cosine_similarity": 0.3646991550922394 } }, { "source": "CID:65351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "pyrrolidine-dithiocarbamate-EMF-sumo1-11 similarity", "source_label": "pyrrolidine-dithiocarbamate", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5964306592941284 } }, { "source": "CID:91668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "nomegestrol-acetate-thiazolopyrimidine similarity", "source_label": "nomegestrol-acetate", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2417542934417724 } }, { "source": "CID:11716890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "YM-298198-thalidomide similarity", "source_label": "YM-298198", "target_label": "thalidomide", "cosine_similarity": 0.2803263068199157 } }, { "source": "CID:5456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135409453", "properties": { "id": "thonzonium-tegaserod similarity", "source_label": "thonzonium", "target_label": "tegaserod", "cosine_similarity": 0.40384241938591 } }, { "source": "CID:644241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "nilotinib-PLX-4720 similarity", "source_label": "nilotinib", "target_label": "PLX-4720", "cosine_similarity": 0.3997212648391723 } }, { "source": "CID:4634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "oxybutynin-tolcapone similarity", "source_label": "oxybutynin", "target_label": "tolcapone", "cosine_similarity": 0.3543567955493927 } }, { "source": "CID:5436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "thiamylal-desoxypeganine similarity", "source_label": "thiamylal", "target_label": "desoxypeganine", "cosine_similarity": 0.2766004800796509 } }, { "source": "CID:52912189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "I-BET-151-OTX-015 similarity", "source_label": "I-BET-151", "target_label": "OTX-015", "cosine_similarity": 0.7817108035087585 } }, { "source": "CID:5281437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "costunolide-parthenolide similarity", "source_label": "costunolide", "target_label": "parthenolide", "cosine_similarity": 0.3445784747600555 } }, { "source": "CID:11609586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "serdemetan-CCT-031374 similarity", "source_label": "serdemetan", "target_label": "CCT-031374", "cosine_similarity": 0.5052517056465149 } }, { "source": "CID:667484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "etomidate-ME-0328 similarity", "source_label": "etomidate", "target_label": "ME-0328", "cosine_similarity": 0.40639728307724 } }, { "source": "CID:127951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899", "properties": { "id": "RS-45041-190-leflunomide similarity", "source_label": "RS-45041-190", "target_label": "leflunomide", "cosine_similarity": 0.229407325387001 } }, { "source": "CID:133106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "SIB-1508Y-L-ergothioneine similarity", "source_label": "SIB-1508Y", "target_label": "L-ergothioneine", "cosine_similarity": 0.2894803583621979 } }, { "source": "CID:447912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "T-0901317-dubinidine similarity", "source_label": "T-0901317", "target_label": "dubinidine", "cosine_similarity": 0.3378871977329254 } }, { "source": "CID:4116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "methoxyflurane-granisetron similarity", "source_label": "methoxyflurane", "target_label": "granisetron", "cosine_similarity": 0.291074275970459 } }, { "source": "CID:4463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637568", "properties": { "id": "nevirapine-dimethyl-fumarate similarity", "source_label": "nevirapine", "target_label": "dimethyl-fumarate", "cosine_similarity": 0.5205695033073425 } }, { "source": "CID:4364841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449196", "properties": { "id": "L-165041-androstanol similarity", "source_label": "L-165041", "target_label": "androstanol", "cosine_similarity": 0.2464228570461273 } }, { "source": "CID:5281426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "umbelliferone-pemoline similarity", "source_label": "umbelliferone", "target_label": "pemoline", "cosine_similarity": 0.2471155375242233 } }, { "source": "CID:50515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "amonafide-amsacrine similarity", "source_label": "amonafide", "target_label": "amsacrine", "cosine_similarity": 0.5303744077682495 } }, { "source": "CID:60187003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497655", "properties": { "id": "SA-1937536-SA-102676 similarity", "source_label": "SA-1937536", "target_label": "SA-102676", "cosine_similarity": 0.3840658068656921 } }, { "source": "CID:73707409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "vinorelbine-vincristine similarity", "source_label": "vinorelbine", "target_label": "vincristine", "cosine_similarity": 0.7263575792312622 } }, { "source": "CID:3820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "kenpaullone-AG-14361 similarity", "source_label": "kenpaullone", "target_label": "AG-14361", "cosine_similarity": 0.7778965830802917 } }, { "source": "CID:16759155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604789", "properties": { "id": "DAU-5884-RS-56812 similarity", "source_label": "DAU-5884", "target_label": "RS-56812", "cosine_similarity": 0.2779193818569183 } }, { "source": "CID:11955716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135564985", "properties": { "id": "AT-13387-ganetespib similarity", "source_label": "AT-13387", "target_label": "ganetespib", "cosine_similarity": 0.8394340872764587 } }, { "source": "CID:11548630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "Ro-4987655-cobimetinib similarity", "source_label": "Ro-4987655", "target_label": "cobimetinib", "cosine_similarity": 0.7523508667945862 } }, { "source": "CID:446378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "thapsigargin-FCCP similarity", "source_label": "thapsigargin", "target_label": "FCCP", "cosine_similarity": 0.5973169803619385 } }, { "source": "CID:16960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "dexbrompheniramine-myricetin similarity", "source_label": "dexbrompheniramine", "target_label": "myricetin", "cosine_similarity": 0.2439819127321243 } }, { "source": "CID:44199317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57519544", "properties": { "id": "AZD-2461-wnt-c59 similarity", "source_label": "AZD-2461", "target_label": "wnt-c59", "cosine_similarity": 0.4282386898994446 } }, { "source": "CID:686211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124172", "properties": { "id": "KU-C104126N-SC-9 similarity", "source_label": "KU-C104126N", "target_label": "SC-9", "cosine_similarity": 0.2834061980247497 } }, { "source": "CID:1716436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "JMW-MITF1-MW-MITF24 similarity", "source_label": "JMW-MITF1", "target_label": "MW-MITF24", "cosine_similarity": 0.7803347706794739 } }, { "source": "CID:6697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "benzanthrone-sulfanitran similarity", "source_label": "benzanthrone", "target_label": "sulfanitran", "cosine_similarity": 0.2955613434314728 } }, { "source": "CID:60852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282375", "properties": { "id": "ibandronic-acid-etretinate similarity", "source_label": "ibandronic-acid", "target_label": "etretinate", "cosine_similarity": 0.2117307633161544 } }, { "source": "CID:132846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "L-733060-promazine similarity", "source_label": "L-733060", "target_label": "promazine", "cosine_similarity": 0.5388380885124207 } }, { "source": "CID:2131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4488", "properties": { "id": "ambenonium-niflumic-acid similarity", "source_label": "ambenonium", "target_label": "niflumic-acid", "cosine_similarity": 0.2313007265329361 } }, { "source": "CID:23919058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "tyrphostin-B44-DAC-009 similarity", "source_label": "tyrphostin-B44", "target_label": "DAC-009", "cosine_similarity": 0.2830204665660858 } }, { "source": "CID:44907120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "VU-0413243-1-amiodarone similarity", "source_label": "VU-0413243-1", "target_label": "amiodarone", "cosine_similarity": 0.286956638097763 } }, { "source": "CID:5833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "spironolactone-sparfloxacin similarity", "source_label": "spironolactone", "target_label": "sparfloxacin", "cosine_similarity": 0.2807864248752594 } }, { "source": "CID:108092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "DPPE-PSH-028 similarity", "source_label": "DPPE", "target_label": "PSH-028", "cosine_similarity": 0.223562553524971 } }, { "source": "CID:60910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:78357816", "properties": { "id": "mifobate-VT-464 similarity", "source_label": "mifobate", "target_label": "VT-464", "cosine_similarity": 0.4379054307937622 } }, { "source": "CID:44483355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "embelin-doramapimod similarity", "source_label": "embelin", "target_label": "doramapimod", "cosine_similarity": 0.2880072593688965 } }, { "source": "CID:15592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4099", "properties": { "id": "1-methylisoquinoline-metharbital similarity", "source_label": "1-methylisoquinoline", "target_label": "metharbital", "cosine_similarity": 0.203105017542839 } }, { "source": "CID:44623838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "KU-C104224-KU-C104248 similarity", "source_label": "KU-C104224", "target_label": "KU-C104248", "cosine_similarity": 0.2487133741378784 } }, { "source": "CID:54654437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "SA-1472734-quercetin similarity", "source_label": "SA-1472734", "target_label": "quercetin", "cosine_similarity": 0.2850975692272186 } }, { "source": "CID:44500998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506644", "properties": { "id": "SA-245650-SA-247508 similarity", "source_label": "SA-245650", "target_label": "SA-247508", "cosine_similarity": 0.3352281749248504 } }, { "source": "CID:3883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "lansoprazole-beclometasone similarity", "source_label": "lansoprazole", "target_label": "beclometasone", "cosine_similarity": 0.2805709838867187 } }, { "source": "CID:476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "mevalonic-acid-FTI-276 similarity", "source_label": "mevalonic-acid", "target_label": "FTI-276", "cosine_similarity": 0.2397732883691787 } }, { "source": "CID:6128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "androstenedione-darinaparsin similarity", "source_label": "androstenedione", "target_label": "darinaparsin", "cosine_similarity": 0.298500120639801 } }, { "source": "CID:3386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "fluoxetine-CAY-10594 similarity", "source_label": "fluoxetine", "target_label": "CAY-10594", "cosine_similarity": 0.5289295315742493 } }, { "source": "CID:44489338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "SA-424828-KIN001-055 similarity", "source_label": "SA-424828", "target_label": "KIN001-055", "cosine_similarity": 0.2691989839076996 } }, { "source": "CID:2743956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SPB02137-SA-85148 similarity", "source_label": "SPB02137", "target_label": "SA-85148", "cosine_similarity": 0.3254892230033874 } }, { "source": "CID:9982218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "NTNCB-trifluoperazine similarity", "source_label": "NTNCB", "target_label": "trifluoperazine", "cosine_similarity": 0.6604124307632446 } }, { "source": "CID:5329099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "orantinib-aclidinium similarity", "source_label": "orantinib", "target_label": "aclidinium", "cosine_similarity": 0.4312867224216461 } }, { "source": "CID:44819697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "CAY-10618-salermide similarity", "source_label": "CAY-10618", "target_label": "salermide", "cosine_similarity": 0.5060086846351624 } }, { "source": "CID:5268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5191289", "properties": { "id": "spiroxatrine-Ro-60-0175 similarity", "source_label": "spiroxatrine", "target_label": "Ro-60-0175", "cosine_similarity": 0.2833786904811859 } }, { "source": "CID:49867926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "SAR-245409-GNF-2 similarity", "source_label": "SAR-245409", "target_label": "GNF-2", "cosine_similarity": 0.2790681421756744 } }, { "source": "CID:9902311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "TGX-115-BMS-754807 similarity", "source_label": "TGX-115", "target_label": "BMS-754807", "cosine_similarity": 0.5123088359832764 } }, { "source": "CID:3125011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931004", "properties": { "id": "MW-A1-2-danoprevir similarity", "source_label": "MW-A1-2", "target_label": "danoprevir", "cosine_similarity": 0.2453824579715728 } }, { "source": "CID:73707476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46695", "properties": { "id": "pivampicillin-salsoline similarity", "source_label": "pivampicillin", "target_label": "salsoline", "cosine_similarity": 0.2496474981307983 } }, { "source": "CID:73707393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "GP-42-MD-II-051 similarity", "source_label": "GP-42", "target_label": "MD-II-051", "cosine_similarity": 0.8007804155349731 } }, { "source": "CID:60063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68770", "properties": { "id": "clinafloxacin-talinolol similarity", "source_label": "clinafloxacin", "target_label": "talinolol", "cosine_similarity": 0.3483705818653106 } }, { "source": "CID:44251485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "VU-0405172-2-KU-C104140 similarity", "source_label": "VU-0405172-2", "target_label": "KU-C104140", "cosine_similarity": 0.3971159756183624 } }, { "source": "CID:172997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "lixivaptan-niguldipine similarity", "source_label": "lixivaptan", "target_label": "niguldipine", "cosine_similarity": 0.2908078730106354 } }, { "source": "CID:49835877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "BJM-AF-64-APO-866 similarity", "source_label": "BJM-AF-64", "target_label": "APO-866", "cosine_similarity": 0.2416956722736358 } }, { "source": "CID:5029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "rabeprazole-actarit similarity", "source_label": "rabeprazole", "target_label": "actarit", "cosine_similarity": 0.331439346075058 } }, { "source": "CID:5359371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:55652", "properties": { "id": "levallorphan-spiradoline similarity", "source_label": "levallorphan", "target_label": "spiradoline", "cosine_similarity": 0.3427614867687225 } }, { "source": "CID:6603820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "dihydrexidine-DAC-013 similarity", "source_label": "dihydrexidine", "target_label": "DAC-013", "cosine_similarity": 0.266388326883316 } }, { "source": "CID:2775510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "wiskostatin-sertraline similarity", "source_label": "wiskostatin", "target_label": "sertraline", "cosine_similarity": 0.5749431848526001 } }, { "source": "CID:8480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "carbarsone-Gossypetin similarity", "source_label": "carbarsone", "target_label": "Gossypetin", "cosine_similarity": 0.2557277381420135 } }, { "source": "CID:44494477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-243913-SA-1463838 similarity", "source_label": "SA-243913", "target_label": "SA-1463838", "cosine_similarity": 0.308030366897583 } }, { "source": "CID:4237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "mofezolac-phenoxazine similarity", "source_label": "mofezolac", "target_label": "phenoxazine", "cosine_similarity": 0.2737592756748199 } }, { "source": "CID:689043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2549", "properties": { "id": "caffeic-acid-capsazepine similarity", "source_label": "caffeic-acid", "target_label": "capsazepine", "cosine_similarity": 0.4666083753108978 } }, { "source": "CID:40839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "vindesine-KX-2391 similarity", "source_label": "vindesine", "target_label": "KX-2391", "cosine_similarity": 0.5068384408950806 } }, { "source": "CID:15459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "metaxalone-PTB1 similarity", "source_label": "metaxalone", "target_label": "PTB1", "cosine_similarity": 0.2509706020355224 } }, { "source": "CID:17748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219104", "properties": { "id": "quinoclamine-PX-12 similarity", "source_label": "quinoclamine", "target_label": "PX-12", "cosine_similarity": 0.5065420269966125 } }, { "source": "CID:10621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "hesperidin-felodipine similarity", "source_label": "hesperidin", "target_label": "felodipine", "cosine_similarity": 0.323220282793045 } }, { "source": "CID:23116322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11955716", "properties": { "id": "KW-2478-AT-13387 similarity", "source_label": "KW-2478", "target_label": "AT-13387", "cosine_similarity": 0.8369277715682983 } }, { "source": "CID:24779724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "SGX-523-actarit similarity", "source_label": "SGX-523", "target_label": "actarit", "cosine_similarity": 0.4428882002830505 } }, { "source": "CID:31307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "triamcinolone-fluticasone-propionate similarity", "source_label": "triamcinolone", "target_label": "fluticasone-propionate", "cosine_similarity": 0.5353732109069824 } }, { "source": "CID:22245026", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "GR-206-DAC-004 similarity", "source_label": "GR-206", "target_label": "DAC-004", "cosine_similarity": 0.3612641394138336 } }, { "source": "CID:5332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "sulfamonomethoxine-butylated-hydroxytoluene similarity", "source_label": "sulfamonomethoxine", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.3495051860809326 } }, { "source": "CID:5681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "W-7-fananserin similarity", "source_label": "W-7", "target_label": "fananserin", "cosine_similarity": 0.2359115481376648 } }, { "source": "CID:24747195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747176", "properties": { "id": "PSH-026-PSH-021 similarity", "source_label": "PSH-026", "target_label": "PSH-021", "cosine_similarity": 0.3145897090435028 } }, { "source": "CID:44494000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669462", "properties": { "id": "SA-243423-SA-1922796 similarity", "source_label": "SA-243423", "target_label": "SA-1922796", "cosine_similarity": 0.3354316651821136 } }, { "source": "CID:73707439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "YL-55-DAC-009 similarity", "source_label": "YL-55", "target_label": "DAC-009", "cosine_similarity": 0.2798033356666565 } }, { "source": "CID:44620013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "SA-424294-SA-441092 similarity", "source_label": "SA-424294", "target_label": "SA-441092", "cosine_similarity": 0.2816337645053863 } }, { "source": "CID:4217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132846", "properties": { "id": "ML-9-L-733060 similarity", "source_label": "ML-9", "target_label": "L-733060", "cosine_similarity": 0.3128090500831604 } }, { "source": "CID:11977753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "NVP-BEZ235-torin-1 similarity", "source_label": "NVP-BEZ235", "target_label": "torin-1", "cosine_similarity": 0.8716692328453064 } }, { "source": "CID:54660558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-1456625-SA-1463838 similarity", "source_label": "SA-1456625", "target_label": "SA-1463838", "cosine_similarity": 0.4469239413738251 } }, { "source": "CID:4917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25171648", "properties": { "id": "prochlorperazine-EMD-1214063 similarity", "source_label": "prochlorperazine", "target_label": "EMD-1214063", "cosine_similarity": 0.3658136427402496 } }, { "source": "CID:11683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23902994", "properties": { "id": "megestrol-acetate-BL-077 similarity", "source_label": "megestrol-acetate", "target_label": "BL-077", "cosine_similarity": 0.2310742139816284 } }, { "source": "CID:3476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "glimepiride-levocabastine similarity", "source_label": "glimepiride", "target_label": "levocabastine", "cosine_similarity": 0.3819353580474853 } }, { "source": "CID:135659046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "salermide-FCCP similarity", "source_label": "salermide", "target_label": "FCCP", "cosine_similarity": 0.5865851640701294 } }, { "source": "CID:10313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "benzohydroxamic-acid-VU-0405172-2 similarity", "source_label": "benzohydroxamic-acid", "target_label": "VU-0405172-2", "cosine_similarity": 0.3179228901863098 } }, { "source": "CID:3037918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "dimemorfan-sarcosine similarity", "source_label": "dimemorfan", "target_label": "sarcosine", "cosine_similarity": 0.218390941619873 } }, { "source": "CID:11382492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "CMPD-1-KM-03949SC similarity", "source_label": "CMPD-1", "target_label": "KM-03949SC", "cosine_similarity": 0.4541031420230865 } }, { "source": "CID:122272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "BMS-182874-resorcinol similarity", "source_label": "BMS-182874", "target_label": "resorcinol", "cosine_similarity": 0.3233900368213653 } }, { "source": "CID:4849", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "piretanide-alizapride similarity", "source_label": "piretanide", "target_label": "alizapride", "cosine_similarity": 0.3670515120029449 } }, { "source": "CID:73707499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51387307", "properties": { "id": "paromomycin-cefsulodin similarity", "source_label": "paromomycin", "target_label": "cefsulodin", "cosine_similarity": 0.2244890332221985 } }, { "source": "CID:457193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "dactinomycin-triptolide similarity", "source_label": "dactinomycin", "target_label": "triptolide", "cosine_similarity": 0.8401554822921753 } }, { "source": "CID:4688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "pargyline-indinavir similarity", "source_label": "pargyline", "target_label": "indinavir", "cosine_similarity": 0.3292830288410187 } }, { "source": "CID:1548887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "sulindac-APO-866 similarity", "source_label": "sulindac", "target_label": "APO-866", "cosine_similarity": 0.2801125049591064 } }, { "source": "CID:46897844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2933863", "properties": { "id": "VU-0420363-1-KU-C103875 similarity", "source_label": "VU-0420363-1", "target_label": "KU-C103875", "cosine_similarity": 0.2311955839395523 } }, { "source": "CID:230710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "ML-204-resatorvid similarity", "source_label": "ML-204", "target_label": "resatorvid", "cosine_similarity": 0.3299964666366577 } }, { "source": "CID:6918456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2735313", "properties": { "id": "prasugrel-A-7 similarity", "source_label": "prasugrel", "target_label": "A-7", "cosine_similarity": 0.2917764186859131 } }, { "source": "CID:644241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24889392", "properties": { "id": "nilotinib-quizartinib similarity", "source_label": "nilotinib", "target_label": "quizartinib", "cosine_similarity": 0.4071246385574341 } }, { "source": "CID:46931004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "danoprevir-PT-630 similarity", "source_label": "danoprevir", "target_label": "PT-630", "cosine_similarity": 0.3682622909545898 } }, { "source": "CID:72390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "thiazolidinecarboxylic-acid-methyl-fasudil similarity", "source_label": "thiazolidinecarboxylic-acid", "target_label": "methyl-fasudil", "cosine_similarity": 0.2365807145833969 } }, { "source": "CID:39042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "bezafibrate-dideoxyadenosine similarity", "source_label": "bezafibrate", "target_label": "dideoxyadenosine", "cosine_similarity": 0.4658105373382568 } }, { "source": "CID:65028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54892", "properties": { "id": "oseltamivir-phosphate-quinapril similarity", "source_label": "oseltamivir-phosphate", "target_label": "quinapril", "cosine_similarity": 0.1662448793649673 } }, { "source": "CID:46903876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60726", "properties": { "id": "SD-6-035-A12-bromfenac similarity", "source_label": "SD-6-035-A12", "target_label": "bromfenac", "cosine_similarity": 0.2469295263290405 } }, { "source": "CID:11689583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "PSB-36-SB-216641 similarity", "source_label": "PSB-36", "target_label": "SB-216641", "cosine_similarity": 0.3166959285736084 } }, { "source": "CID:25227436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "AZD-5363-PI-103 similarity", "source_label": "AZD-5363", "target_label": "PI-103", "cosine_similarity": 0.7369379997253418 } }, { "source": "CID:24747189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869952", "properties": { "id": "JAS07-004-VU-0404997-2 similarity", "source_label": "JAS07-004", "target_label": "VU-0404997-2", "cosine_similarity": 0.268203467130661 } }, { "source": "CID:11973736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "TG-100801-doxazosin similarity", "source_label": "TG-100801", "target_label": "doxazosin", "cosine_similarity": 0.4914453029632568 } }, { "source": "CID:51371328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "estramustine-fexofenadine similarity", "source_label": "estramustine", "target_label": "fexofenadine", "cosine_similarity": 0.3549243509769439 } }, { "source": "CID:5379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "gatifloxacin-marbofloxacin similarity", "source_label": "gatifloxacin", "target_label": "marbofloxacin", "cosine_similarity": 0.4776036441326141 } }, { "source": "CID:73707542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1024-BG-1016 similarity", "source_label": "BG-1024", "target_label": "BG-1016", "cosine_similarity": 0.6143050193786621 } }, { "source": "CID:6710662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "fluocinolone-acetonide-clocortolone-pivalate similarity", "source_label": "fluocinolone-acetonide", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.591240644454956 } }, { "source": "CID:2752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "cilnidipine-COL-3 similarity", "source_label": "cilnidipine", "target_label": "COL-3", "cosine_similarity": 0.2545211017131805 } }, { "source": "CID:10020353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707548", "properties": { "id": "SKF-83822-BG-1002 similarity", "source_label": "SKF-83822", "target_label": "BG-1002", "cosine_similarity": 0.2217152118682861 } }, { "source": "CID:51038269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "GZD-824-afatinib similarity", "source_label": "GZD-824", "target_label": "afatinib", "cosine_similarity": 0.509161114692688 } }, { "source": "CID:11450633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "alogliptin-iproniazid similarity", "source_label": "alogliptin", "target_label": "iproniazid", "cosine_similarity": 0.3618926405906677 } }, { "source": "CID:164723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "byssochlamic-acid-AR-A014418 similarity", "source_label": "byssochlamic-acid", "target_label": "AR-A014418", "cosine_similarity": 0.2538538575172424 } }, { "source": "CID:33036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3276", "properties": { "id": "dexchlorpheniramine-etanidazole similarity", "source_label": "dexchlorpheniramine", "target_label": "etanidazole", "cosine_similarity": 0.2032654881477356 } }, { "source": "CID:44486995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-424764-SA-424170 similarity", "source_label": "SA-424764", "target_label": "SA-424170", "cosine_similarity": 0.264699637889862 } }, { "source": "CID:187079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2478", "properties": { "id": "EMD-53998-busulfan similarity", "source_label": "EMD-53998", "target_label": "busulfan", "cosine_similarity": 0.2374470233917236 } }, { "source": "CID:200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "AICA-ribonucleotide-imiquimod similarity", "source_label": "AICA-ribonucleotide", "target_label": "imiquimod", "cosine_similarity": 0.4118215143680572 } }, { "source": "CID:19667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40532410", "properties": { "id": "bephenium-chlormadinone similarity", "source_label": "bephenium", "target_label": "chlormadinone", "cosine_similarity": 0.1975562125444412 } }, { "source": "CID:10026128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "WAY-362450-efavirenz similarity", "source_label": "WAY-362450", "target_label": "efavirenz", "cosine_similarity": 0.3099290132522583 } }, { "source": "CID:6710752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "iriflophenone-tofacitinib similarity", "source_label": "iriflophenone", "target_label": "tofacitinib", "cosine_similarity": 0.3927385509014129 } }, { "source": "CID:2415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "BML-190-glutamine similarity", "source_label": "BML-190", "target_label": "glutamine", "cosine_similarity": 0.2652266323566437 } }, { "source": "CID:3371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:656731", "properties": { "id": "flufenamic-acid-chromanol similarity", "source_label": "flufenamic-acid", "target_label": "chromanol", "cosine_similarity": 0.2510423064231872 } }, { "source": "CID:2094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54675769", "properties": { "id": "allopurinol-novobiocin similarity", "source_label": "allopurinol", "target_label": "novobiocin", "cosine_similarity": 0.3142811357975006 } }, { "source": "CID:148192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "atazanavir-dipyridamole similarity", "source_label": "atazanavir", "target_label": "dipyridamole", "cosine_similarity": 0.2188120782375335 } }, { "source": "CID:6196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24871028", "properties": { "id": "oxacillin-nystatin similarity", "source_label": "oxacillin", "target_label": "nystatin", "cosine_similarity": 0.218422845005989 } }, { "source": "CID:54657751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1458306-SA-96816 similarity", "source_label": "SA-1458306", "target_label": "SA-96816", "cosine_similarity": 0.2292913347482681 } }, { "source": "CID:6303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "cordycepin-luliconazole similarity", "source_label": "cordycepin", "target_label": "luliconazole", "cosine_similarity": 0.3499696850776672 } }, { "source": "CID:89594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "nicotine-ketorolac similarity", "source_label": "nicotine", "target_label": "ketorolac", "cosine_similarity": 0.3809477686882019 } }, { "source": "CID:3657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "hydroxyurea-LGK-974 similarity", "source_label": "hydroxyurea", "target_label": "LGK-974", "cosine_similarity": 0.3697647452354431 } }, { "source": "CID:5702266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "amcinonide-fluocinolone-acetonide similarity", "source_label": "amcinonide", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.5863286256790161 } }, { "source": "CID:54658832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657735", "properties": { "id": "SA-1459256-SA-1457187 similarity", "source_label": "SA-1459256", "target_label": "SA-1457187", "cosine_similarity": 0.3619451224803924 } }, { "source": "CID:392622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "ritonavir-castanospermine similarity", "source_label": "ritonavir", "target_label": "castanospermine", "cosine_similarity": 0.3185334503650665 } }, { "source": "CID:1534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "aminomethyltransferase-ASN-05257430 similarity", "source_label": "aminomethyltransferase", "target_label": "ASN-05257430", "cosine_similarity": 0.339921772480011 } }, { "source": "CID:119192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133538", "properties": { "id": "SR-48692-SKF-83959 similarity", "source_label": "SR-48692", "target_label": "SKF-83959", "cosine_similarity": 0.2728961110115051 } }, { "source": "CID:71203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "vinburnine-aliskiren similarity", "source_label": "vinburnine", "target_label": "aliskiren", "cosine_similarity": 0.4492983222007751 } }, { "source": "CID:6604763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:938", "properties": { "id": "ICI-192605-niacin similarity", "source_label": "ICI-192605", "target_label": "niacin", "cosine_similarity": 0.3530316352844238 } }, { "source": "CID:441074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "quinidine-oxiconazole similarity", "source_label": "quinidine", "target_label": "oxiconazole", "cosine_similarity": 0.4170682430267334 } }, { "source": "CID:73707393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "GP-42-MD-II-008-P similarity", "source_label": "GP-42", "target_label": "MD-II-008-P", "cosine_similarity": 0.7784857153892517 } }, { "source": "CID:24753719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820696", "properties": { "id": "PCI-34051-KM-04644SC similarity", "source_label": "PCI-34051", "target_label": "KM-04644SC", "cosine_similarity": 0.2212427854537964 } }, { "source": "CID:107992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5052", "properties": { "id": "MK-212-mepireserpate similarity", "source_label": "MK-212", "target_label": "mepireserpate", "cosine_similarity": 0.6264159083366394 } }, { "source": "CID:3396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "fluspirilene-atorvastatin similarity", "source_label": "fluspirilene", "target_label": "atorvastatin", "cosine_similarity": 0.5688559412956238 } }, { "source": "CID:2966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "debrisoquin-SA-1919248 similarity", "source_label": "debrisoquin", "target_label": "SA-1919248", "cosine_similarity": 0.1387462168931961 } }, { "source": "CID:9795278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "PNU-282987-PTB1 similarity", "source_label": "PNU-282987", "target_label": "PTB1", "cosine_similarity": 0.2519397139549255 } }, { "source": "CID:54682040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "BMS-707035-cabergoline similarity", "source_label": "BMS-707035", "target_label": "cabergoline", "cosine_similarity": 0.3900913596153259 } }, { "source": "CID:2536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2187", "properties": { "id": "camostat-mesilate-anastrozole similarity", "source_label": "camostat-mesilate", "target_label": "anastrozole", "cosine_similarity": 0.3901332318782806 } }, { "source": "CID:3896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "lavendustin-c-SAL-1 similarity", "source_label": "lavendustin-c", "target_label": "SAL-1", "cosine_similarity": 0.2565118670463562 } }, { "source": "CID:68071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "pinocembrin-SB-239063 similarity", "source_label": "pinocembrin", "target_label": "SB-239063", "cosine_similarity": 0.3021218180656433 } }, { "source": "CID:10201696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "balicatib-linsidomine similarity", "source_label": "balicatib", "target_label": "linsidomine", "cosine_similarity": 0.4931144714355469 } }, { "source": "CID:5281426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "umbelliferone-lenalidomide similarity", "source_label": "umbelliferone", "target_label": "lenalidomide", "cosine_similarity": 0.2635788023471832 } }, { "source": "CID:10127622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "selumetinib-AZ-628 similarity", "source_label": "selumetinib", "target_label": "AZ-628", "cosine_similarity": 0.8131348490715027 } }, { "source": "CID:3448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "gaboxadol-miglustat similarity", "source_label": "gaboxadol", "target_label": "miglustat", "cosine_similarity": 0.3972624838352203 } }, { "source": "CID:6610216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "DL-PDMP-masitinib similarity", "source_label": "DL-PDMP", "target_label": "masitinib", "cosine_similarity": 0.537500262260437 } }, { "source": "CID:68085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "dictamnine-carbamazepine similarity", "source_label": "dictamnine", "target_label": "carbamazepine", "cosine_similarity": 0.3515727818012237 } }, { "source": "CID:46869940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:598", "properties": { "id": "VU-0415374-1-mesna similarity", "source_label": "VU-0415374-1", "target_label": "mesna", "cosine_similarity": 0.3399813771247864 } }, { "source": "CID:2300880", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "ST-013960-SR-33805 similarity", "source_label": "ST-013960", "target_label": "SR-33805", "cosine_similarity": 0.2469827681779861 } }, { "source": "CID:6070589", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151819", "properties": { "id": "BAS-09104376-BL-050 similarity", "source_label": "BAS-09104376", "target_label": "BL-050", "cosine_similarity": 0.2225580662488937 } }, { "source": "CID:16759155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "DAU-5884-carbamazepine similarity", "source_label": "DAU-5884", "target_label": "carbamazepine", "cosine_similarity": 0.2796201407909393 } }, { "source": "CID:2802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "clonazepam-gemifloxacin similarity", "source_label": "clonazepam", "target_label": "gemifloxacin", "cosine_similarity": 0.38604336977005 } }, { "source": "CID:11373846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11960529", "properties": { "id": "GSK-429286A-veliparib similarity", "source_label": "GSK-429286A", "target_label": "veliparib", "cosine_similarity": 0.4145660102367401 } }, { "source": "CID:681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "dopamine-rolipram similarity", "source_label": "dopamine", "target_label": "rolipram", "cosine_similarity": 0.3292329013347626 } }, { "source": "CID:676352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "DBeQ-CAY-10618 similarity", "source_label": "DBeQ", "target_label": "CAY-10618", "cosine_similarity": 0.2533069849014282 } }, { "source": "CID:6444692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60751", "properties": { "id": "mubritinib-temoporfin similarity", "source_label": "mubritinib", "target_label": "temoporfin", "cosine_similarity": 0.3295459151268005 } }, { "source": "CID:104758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "raltitrexed-floxuridine similarity", "source_label": "raltitrexed", "target_label": "floxuridine", "cosine_similarity": 0.758905827999115 } }, { "source": "CID:5095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "ropinirole-methocarbamol similarity", "source_label": "ropinirole", "target_label": "methocarbamol", "cosine_similarity": 0.4256430566310882 } }, { "source": "CID:4059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72967", "properties": { "id": "mephenesin-isonicotinohydroxamic-acid similarity", "source_label": "mephenesin", "target_label": "isonicotinohydroxamic-acid", "cosine_similarity": 0.1994309574365615 } }, { "source": "CID:161930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "icilin-eriodictyol similarity", "source_label": "icilin", "target_label": "eriodictyol", "cosine_similarity": 0.2929416298866272 } }, { "source": "CID:5282451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "pitavastatin-dichlorobenzamil similarity", "source_label": "pitavastatin", "target_label": "dichlorobenzamil", "cosine_similarity": 0.492925226688385 } }, { "source": "CID:60961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "adenosine-DPCPX similarity", "source_label": "adenosine", "target_label": "DPCPX", "cosine_similarity": 0.5735751986503601 } }, { "source": "CID:40839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35802", "properties": { "id": "vindesine-flubendazole similarity", "source_label": "vindesine", "target_label": "flubendazole", "cosine_similarity": 0.6169106960296631 } }, { "source": "CID:107867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32170", "properties": { "id": "otenzepad-articaine similarity", "source_label": "otenzepad", "target_label": "articaine", "cosine_similarity": 0.1982079595327377 } }, { "source": "CID:44483164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "KU-C103853-EMF-sumo1-39 similarity", "source_label": "KU-C103853", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.3344722390174866 } }, { "source": "CID:60189692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500308", "properties": { "id": "SA-1938740-SA-243193 similarity", "source_label": "SA-1938740", "target_label": "SA-243193", "cosine_similarity": 0.2613033950328827 } }, { "source": "CID:26937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5319", "properties": { "id": "clobutinol-sulfabenzamide similarity", "source_label": "clobutinol", "target_label": "sulfabenzamide", "cosine_similarity": 0.2521994709968567 } }, { "source": "CID:5312114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "CGP-71683-rhodomyrtoxin-b similarity", "source_label": "CGP-71683", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.7669484615325928 } }, { "source": "CID:47510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23727689", "properties": { "id": "lidamidine-almorexant similarity", "source_label": "lidamidine", "target_label": "almorexant", "cosine_similarity": 0.3092080950736999 } }, { "source": "CID:44487334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3585", "properties": { "id": "SA-89705-hemicholinium-3 similarity", "source_label": "SA-89705", "target_label": "hemicholinium-3", "cosine_similarity": 0.436621218919754 } }, { "source": "CID:6419833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "angiogenesis-inhibitor-SKI-II similarity", "source_label": "angiogenesis-inhibitor", "target_label": "SKI-II", "cosine_similarity": 0.3694534301757812 } }, { "source": "CID:1534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "aminomethyltransferase-NU-1025 similarity", "source_label": "aminomethyltransferase", "target_label": "NU-1025", "cosine_similarity": 0.3064132034778595 } }, { "source": "CID:54658535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-1459975-SA-85148 similarity", "source_label": "SA-1459975", "target_label": "SA-85148", "cosine_similarity": 0.3987714648246765 } }, { "source": "CID:755673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "MW-STK33-4C-Gossypetin similarity", "source_label": "MW-STK33-4C", "target_label": "Gossypetin", "cosine_similarity": 0.4368554353713989 } }, { "source": "CID:4101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "methenamine-hydroxyurea similarity", "source_label": "methenamine", "target_label": "hydroxyurea", "cosine_similarity": 0.2251466363668441 } }, { "source": "CID:44143370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "KIN001-266-enzastaurin similarity", "source_label": "KIN001-266", "target_label": "enzastaurin", "cosine_similarity": 0.3106392025947571 } }, { "source": "CID:6602442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "hydrocortisone-phosphate-budesonide similarity", "source_label": "hydrocortisone-phosphate", "target_label": "budesonide", "cosine_similarity": 0.3620506823062897 } }, { "source": "CID:44623837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593869", "properties": { "id": "KU-C104223-KU-C103884 similarity", "source_label": "KU-C104223", "target_label": "KU-C103884", "cosine_similarity": 0.2461575865745544 } }, { "source": "CID:56839178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "TP-0903-CGP-60474 similarity", "source_label": "TP-0903", "target_label": "CGP-60474", "cosine_similarity": 0.7362691760063171 } }, { "source": "CID:46173038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "K-02288-saracatinib similarity", "source_label": "K-02288", "target_label": "saracatinib", "cosine_similarity": 0.2760739922523498 } }, { "source": "CID:2375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "bicalutamide-acifran similarity", "source_label": "bicalutamide", "target_label": "acifran", "cosine_similarity": 0.5219500660896301 } }, { "source": "CID:13817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "benzopurpurin-4b-epicatechin similarity", "source_label": "benzopurpurin-4b", "target_label": "epicatechin", "cosine_similarity": 0.304395854473114 } }, { "source": "CID:441728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "deltaline-amisulpride similarity", "source_label": "deltaline", "target_label": "amisulpride", "cosine_similarity": 0.3217740058898926 } }, { "source": "CID:6914273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "dantrolene-aclidinium similarity", "source_label": "dantrolene", "target_label": "aclidinium", "cosine_similarity": 0.4137592613697052 } }, { "source": "CID:4043357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "hemado-JAS07-006 similarity", "source_label": "hemado", "target_label": "JAS07-006", "cosine_similarity": 0.4525389075279236 } }, { "source": "CID:5070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "riluzole-enzalutamide similarity", "source_label": "riluzole", "target_label": "enzalutamide", "cosine_similarity": 0.4377787411212921 } }, { "source": "CID:24996872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281104", "properties": { "id": "GSK-1292263-paricalcitol similarity", "source_label": "GSK-1292263", "target_label": "paricalcitol", "cosine_similarity": 0.3514855504035949 } }, { "source": "CID:24770514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59768", "properties": { "id": "CPI-613-esmolol similarity", "source_label": "CPI-613", "target_label": "esmolol", "cosine_similarity": 0.4363406300544739 } }, { "source": "CID:10117987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "preladenant-vinburnine similarity", "source_label": "preladenant", "target_label": "vinburnine", "cosine_similarity": 0.3347295522689819 } }, { "source": "CID:2065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "AG-99-morin similarity", "source_label": "AG-99", "target_label": "morin", "cosine_similarity": 0.259397804737091 } }, { "source": "CID:1550607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "auraptene-EX-527 similarity", "source_label": "auraptene", "target_label": "EX-527", "cosine_similarity": 0.1955567747354507 } }, { "source": "CID:5339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "sulfasalazine-ABT-202 similarity", "source_label": "sulfasalazine", "target_label": "ABT-202", "cosine_similarity": 0.3253232836723327 } }, { "source": "CID:40469854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "flumethasone-piperacillin similarity", "source_label": "flumethasone", "target_label": "piperacillin", "cosine_similarity": 0.2827709019184112 } }, { "source": "CID:60186794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-1939064-SA-1939126 similarity", "source_label": "SA-1939064", "target_label": "SA-1939126", "cosine_similarity": 0.2451702803373336 } }, { "source": "CID:3830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "kinetin-lenalidomide similarity", "source_label": "kinetin", "target_label": "lenalidomide", "cosine_similarity": 0.2990384399890899 } }, { "source": "CID:5466054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "ST-208960-TCPOBOP similarity", "source_label": "ST-208960", "target_label": "TCPOBOP", "cosine_similarity": 0.2763445079326629 } }, { "source": "CID:3797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "ZM-39923-ruxolitinib similarity", "source_label": "ZM-39923", "target_label": "ruxolitinib", "cosine_similarity": 0.3582941889762878 } }, { "source": "CID:2200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12801781", "properties": { "id": "antazoline-imipenem similarity", "source_label": "antazoline", "target_label": "imipenem", "cosine_similarity": 0.1918312162160873 } }, { "source": "CID:42636535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "A-66-AZD-5363 similarity", "source_label": "A-66", "target_label": "AZD-5363", "cosine_similarity": 0.4235778748989105 } }, { "source": "CID:60651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "marbofloxacin-levosulpiride similarity", "source_label": "marbofloxacin", "target_label": "levosulpiride", "cosine_similarity": 0.5691376328468323 } }, { "source": "CID:6918878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "Merck60-entinostat similarity", "source_label": "Merck60", "target_label": "entinostat", "cosine_similarity": 0.490873783826828 } }, { "source": "CID:46931012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "BIX-02189-dabrafenib similarity", "source_label": "BIX-02189", "target_label": "dabrafenib", "cosine_similarity": 0.306281715631485 } }, { "source": "CID:3463933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "FH-535-morin similarity", "source_label": "FH-535", "target_label": "morin", "cosine_similarity": 0.1965363919734954 } }, { "source": "CID:3472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "gimeracil-danegaptide similarity", "source_label": "gimeracil", "target_label": "danegaptide", "cosine_similarity": 0.6288999319076538 } }, { "source": "CID:4533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6732844", "properties": { "id": "nor-binaltorphimine-ST-023431 similarity", "source_label": "nor-binaltorphimine", "target_label": "ST-023431", "cosine_similarity": 0.2228589355945587 } }, { "source": "CID:159269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24737642", "properties": { "id": "telbivudine-LCL-161 similarity", "source_label": "telbivudine", "target_label": "LCL-161", "cosine_similarity": 0.475631445646286 } }, { "source": "CID:60857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "zolmitriptan-FTI-276 similarity", "source_label": "zolmitriptan", "target_label": "FTI-276", "cosine_similarity": 0.3369001746177673 } }, { "source": "CID:9727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149784", "properties": { "id": "methyltyramine-EHNA similarity", "source_label": "methyltyramine", "target_label": "EHNA", "cosine_similarity": 0.1750570088624954 } }, { "source": "CID:44620657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-424233-SA-1939915 similarity", "source_label": "SA-424233", "target_label": "SA-1939915", "cosine_similarity": 0.24590365588665 } }, { "source": "CID:135976680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "BIX-02188-AG-879 similarity", "source_label": "BIX-02188", "target_label": "AG-879", "cosine_similarity": 0.3600378930568695 } }, { "source": "CID:4516886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "GW-1929-enrofloxacin similarity", "source_label": "GW-1929", "target_label": "enrofloxacin", "cosine_similarity": 0.3614806234836578 } }, { "source": "CID:4032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "mecamylamine-tiapride similarity", "source_label": "mecamylamine", "target_label": "tiapride", "cosine_similarity": 0.4470221698284149 } }, { "source": "CID:6445533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "dacinostat-JNJ-26481585 similarity", "source_label": "dacinostat", "target_label": "JNJ-26481585", "cosine_similarity": 0.906971275806427 } }, { "source": "CID:4189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2022", "properties": { "id": "miconazole-acyclovir similarity", "source_label": "miconazole", "target_label": "acyclovir", "cosine_similarity": 0.2294289320707321 } }, { "source": "CID:2736301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "TBEP-pentoxifylline similarity", "source_label": "TBEP", "target_label": "pentoxifylline", "cosine_similarity": 0.3000207841396332 } }, { "source": "CID:2772764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0011562-Gossypetin similarity", "source_label": "VU-0011562", "target_label": "Gossypetin", "cosine_similarity": 0.2497628033161163 } }, { "source": "CID:4456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "neostigmine-estramustine-phosphate similarity", "source_label": "neostigmine", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4896347820758819 } }, { "source": "CID:44251479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "VU-0405166-2-phenothiazine similarity", "source_label": "VU-0405166-2", "target_label": "phenothiazine", "cosine_similarity": 0.2878694534301758 } }, { "source": "CID:11442891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760044", "properties": { "id": "danusertib-latrunculin-b similarity", "source_label": "danusertib", "target_label": "latrunculin-b", "cosine_similarity": 0.4378874599933624 } }, { "source": "CID:5702031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707430", "properties": { "id": "danazol-gestrinone similarity", "source_label": "danazol", "target_label": "gestrinone", "cosine_similarity": 0.4391466677188873 } }, { "source": "CID:441401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "linezolid-emedastine similarity", "source_label": "linezolid", "target_label": "emedastine", "cosine_similarity": 0.3354135155677795 } }, { "source": "CID:3440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "furosemide-lodoxamide similarity", "source_label": "furosemide", "target_label": "lodoxamide", "cosine_similarity": 0.4380175769329071 } }, { "source": "CID:675434", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92722", "properties": { "id": "IU1-argatroban similarity", "source_label": "IU1", "target_label": "argatroban", "cosine_similarity": 0.2649683952331543 } }, { "source": "CID:44630539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "KU-C104256-tenoxicam similarity", "source_label": "KU-C104256", "target_label": "tenoxicam", "cosine_similarity": 0.2342846989631652 } }, { "source": "CID:3607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "hexetidine-MW-STK33-2B similarity", "source_label": "hexetidine", "target_label": "MW-STK33-2B", "cosine_similarity": 0.2337262034416198 } }, { "source": "CID:4923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "proguanil-levofloxacin similarity", "source_label": "proguanil", "target_label": "levofloxacin", "cosine_similarity": 0.303650826215744 } }, { "source": "CID:3090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "dimetridazole-ME-0328 similarity", "source_label": "dimetridazole", "target_label": "ME-0328", "cosine_similarity": 0.2582235038280487 } }, { "source": "CID:6918409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "CO-101244-disopyramide similarity", "source_label": "CO-101244", "target_label": "disopyramide", "cosine_similarity": 0.4679650366306305 } }, { "source": "CID:10125107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "lawsone-tretinoin similarity", "source_label": "lawsone", "target_label": "tretinoin", "cosine_similarity": 0.2070079147815704 } }, { "source": "CID:13025387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40532410", "properties": { "id": "ticarcillin-chlormadinone similarity", "source_label": "ticarcillin", "target_label": "chlormadinone", "cosine_similarity": 0.2830728888511657 } }, { "source": "CID:44557636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "dipraglurant-dorzolamide similarity", "source_label": "dipraglurant", "target_label": "dorzolamide", "cosine_similarity": 0.4036848247051239 } }, { "source": "CID:9429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50287", "properties": { "id": "thioproperazine-tiotidine similarity", "source_label": "thioproperazine", "target_label": "tiotidine", "cosine_similarity": 0.2438919246196746 } }, { "source": "CID:135565545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11955855", "properties": { "id": "PF-477736-LY-2603618 similarity", "source_label": "PF-477736", "target_label": "LY-2603618", "cosine_similarity": 0.4625485837459564 } }, { "source": "CID:9543513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "APO-866-YK-4279 similarity", "source_label": "APO-866", "target_label": "YK-4279", "cosine_similarity": 0.5121699571609497 } }, { "source": "CID:6803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24748573", "properties": { "id": "tioguanine-CX-4945 similarity", "source_label": "tioguanine", "target_label": "CX-4945", "cosine_similarity": 0.3320399820804596 } }, { "source": "CID:5353454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035746", "properties": { "id": "BW-B70C-iodophenpropit similarity", "source_label": "BW-B70C", "target_label": "iodophenpropit", "cosine_similarity": 0.2530395686626434 } }, { "source": "CID:46940575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644241", "properties": { "id": "GDC-0152-nilotinib similarity", "source_label": "GDC-0152", "target_label": "nilotinib", "cosine_similarity": 0.3365201950073242 } }, { "source": "CID:6124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "dimethylnitrosamine-monocrotaline similarity", "source_label": "dimethylnitrosamine", "target_label": "monocrotaline", "cosine_similarity": 0.2235706597566604 } }, { "source": "CID:5281894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3567002", "properties": { "id": "NSC-94258-RS-100329 similarity", "source_label": "NSC-94258", "target_label": "RS-100329", "cosine_similarity": 0.2056863754987716 } }, { "source": "CID:4781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155815", "properties": { "id": "phenylbutazone-varespladib similarity", "source_label": "phenylbutazone", "target_label": "varespladib", "cosine_similarity": 0.4290259778499603 } }, { "source": "CID:72344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "nobiletin-NM-PP1 similarity", "source_label": "nobiletin", "target_label": "NM-PP1", "cosine_similarity": 0.2323409765958786 } }, { "source": "CID:73707399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657694", "properties": { "id": "SA-1458571-SA-1460192 similarity", "source_label": "SA-1458571", "target_label": "SA-1460192", "cosine_similarity": 0.2728939354419708 } }, { "source": "CID:73707394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "SA-1447005-MD-049 similarity", "source_label": "SA-1447005", "target_label": "MD-049", "cosine_similarity": 0.7706981301307678 } }, { "source": "CID:4761", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "pheniramine-MW-MITF28 similarity", "source_label": "pheniramine", "target_label": "MW-MITF28", "cosine_similarity": 0.2397181242704391 } }, { "source": "CID:133076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4631", "properties": { "id": "RS-67506-oxprenolol similarity", "source_label": "RS-67506", "target_label": "oxprenolol", "cosine_similarity": 0.2473013252019882 } }, { "source": "CID:45489406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0415535-1-Gossypetin similarity", "source_label": "VU-0415535-1", "target_label": "Gossypetin", "cosine_similarity": 0.232014462351799 } }, { "source": "CID:100018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219271", "properties": { "id": "ginsenoside-EBPC similarity", "source_label": "ginsenoside", "target_label": "EBPC", "cosine_similarity": 0.2142786085605621 } }, { "source": "CID:6890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "gramine-3-CPMT similarity", "source_label": "gramine", "target_label": "3-CPMT", "cosine_similarity": 0.5287395119667053 } }, { "source": "CID:6419753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "D-4476-CAY-10594 similarity", "source_label": "D-4476", "target_label": "CAY-10594", "cosine_similarity": 0.5239180326461792 } }, { "source": "CID:2764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "ciprofloxacin-orciprenaline similarity", "source_label": "ciprofloxacin", "target_label": "orciprenaline", "cosine_similarity": 0.2963922023773193 } }, { "source": "CID:6610267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810884", "properties": { "id": "EI-231-Y-39983 similarity", "source_label": "EI-231", "target_label": "Y-39983", "cosine_similarity": 0.3757135570049286 } }, { "source": "CID:54657718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5090", "properties": { "id": "SA-1456456-rofecoxib similarity", "source_label": "SA-1456456", "target_label": "rofecoxib", "cosine_similarity": 0.2020081281661987 } }, { "source": "CID:60186794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54655704", "properties": { "id": "SA-1939064-SA-1462738 similarity", "source_label": "SA-1939064", "target_label": "SA-1462738", "cosine_similarity": 0.4073704481124878 } }, { "source": "CID:667511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54688261", "properties": { "id": "tramadol-warfarin similarity", "source_label": "tramadol", "target_label": "warfarin", "cosine_similarity": 0.3538844883441925 } }, { "source": "CID:133621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "imiloxan-travoprost similarity", "source_label": "imiloxan", "target_label": "travoprost", "cosine_similarity": 0.5316446423530579 } }, { "source": "CID:729859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167551", "properties": { "id": "CTB-anacardic-acid similarity", "source_label": "CTB", "target_label": "anacardic-acid", "cosine_similarity": 0.4494609832763672 } }, { "source": "CID:5921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "n-nitrosodiethylamine-pentoxifylline similarity", "source_label": "n-nitrosodiethylamine", "target_label": "pentoxifylline", "cosine_similarity": 0.3073237836360931 } }, { "source": "CID:115210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "ZK-93426-diclofenac similarity", "source_label": "ZK-93426", "target_label": "diclofenac", "cosine_similarity": 0.3431419730186462 } }, { "source": "CID:56928031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "KUC111109N-rottlerin similarity", "source_label": "KUC111109N", "target_label": "rottlerin", "cosine_similarity": 0.1726844161748886 } }, { "source": "CID:4045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "mefexamide-phenothiazine similarity", "source_label": "mefexamide", "target_label": "phenothiazine", "cosine_similarity": 0.2749339342117309 } }, { "source": "CID:54659817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487898", "properties": { "id": "SA-1460032-SA-88642 similarity", "source_label": "SA-1460032", "target_label": "SA-88642", "cosine_similarity": 0.27585369348526 } }, { "source": "CID:2871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4632", "properties": { "id": "coumophos-oxybenzone similarity", "source_label": "coumophos", "target_label": "oxybenzone", "cosine_similarity": 0.3074403405189514 } }, { "source": "CID:4848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54585", "properties": { "id": "pirenzepine-balsalazide similarity", "source_label": "pirenzepine", "target_label": "balsalazide", "cosine_similarity": 0.254768967628479 } }, { "source": "CID:9804992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "givinostat-NCH-51 similarity", "source_label": "givinostat", "target_label": "NCH-51", "cosine_similarity": 0.6464346051216125 } }, { "source": "CID:1356208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:90241673", "properties": { "id": "SANT-1-EPZ-015666 similarity", "source_label": "SANT-1", "target_label": "EPZ-015666", "cosine_similarity": 0.5998719334602356 } }, { "source": "CID:4105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1204", "properties": { "id": "met-leu-phe-epibatidine similarity", "source_label": "met-leu-phe", "target_label": "epibatidine", "cosine_similarity": 0.2994199097156524 } }, { "source": "CID:4342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1176", "properties": { "id": "acecainide-urea similarity", "source_label": "acecainide", "target_label": "urea", "cosine_similarity": 0.3225734531879425 } }, { "source": "CID:5377914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281750", "properties": { "id": "methylnorlichexanthone-seneciphylline similarity", "source_label": "methylnorlichexanthone", "target_label": "seneciphylline", "cosine_similarity": 0.2037215083837509 } }, { "source": "CID:11552706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108137", "properties": { "id": "losmapimod-SCH-28080 similarity", "source_label": "losmapimod", "target_label": "SCH-28080", "cosine_similarity": 0.4228670001029968 } }, { "source": "CID:3052776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "rasagiline-orphenadrine similarity", "source_label": "rasagiline", "target_label": "orphenadrine", "cosine_similarity": 0.3815073668956756 } }, { "source": "CID:5475586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "BCI-hydrochloride-EMF-bca1-16 similarity", "source_label": "BCI-hydrochloride", "target_label": "EMF-bca1-16", "cosine_similarity": 0.73178631067276 } }, { "source": "CID:44488994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "SA-89068-lasalocid similarity", "source_label": "SA-89068", "target_label": "lasalocid", "cosine_similarity": 0.3625468015670776 } }, { "source": "CID:73707536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "BG-1007-Fluoro-SAHA similarity", "source_label": "BG-1007", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.5256255269050598 } }, { "source": "CID:4631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "oxprenolol-Gossypetin similarity", "source_label": "oxprenolol", "target_label": "Gossypetin", "cosine_similarity": 0.2883394658565521 } }, { "source": "CID:9882625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "PSB-11-diclofenac similarity", "source_label": "PSB-11", "target_label": "diclofenac", "cosine_similarity": 0.2215066254138946 } }, { "source": "CID:9604993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "DMeOB-JPR-3-97-17 similarity", "source_label": "DMeOB", "target_label": "JPR-3-97-17", "cosine_similarity": 0.2600255310535431 } }, { "source": "CID:3950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "lomustine-orciprenaline similarity", "source_label": "lomustine", "target_label": "orciprenaline", "cosine_similarity": 0.3678911030292511 } }, { "source": "CID:60186762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1939126-SA-96816 similarity", "source_label": "SA-1939126", "target_label": "SA-96816", "cosine_similarity": 0.2878491282463074 } }, { "source": "CID:46213929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11326715", "properties": { "id": "LY-2784544-ostarine similarity", "source_label": "LY-2784544", "target_label": "ostarine", "cosine_similarity": 0.3696697950363159 } }, { "source": "CID:54657729", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "SA-1459454-KU-C104248 similarity", "source_label": "SA-1459454", "target_label": "KU-C104248", "cosine_similarity": 0.2994524836540222 } }, { "source": "CID:16760391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "VAMA-37-CEP-37440 similarity", "source_label": "VAMA-37", "target_label": "CEP-37440", "cosine_similarity": 0.3308372795581817 } }, { "source": "CID:3290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "profenamine-BIBU-1361 similarity", "source_label": "profenamine", "target_label": "BIBU-1361", "cosine_similarity": 0.3551913499832153 } }, { "source": "CID:5327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "sulfadimidine-lodoxamide similarity", "source_label": "sulfadimidine", "target_label": "lodoxamide", "cosine_similarity": 0.2717076539993286 } }, { "source": "CID:107930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ecopipam-Gossypetin similarity", "source_label": "ecopipam", "target_label": "Gossypetin", "cosine_similarity": 0.2593089044094085 } }, { "source": "CID:3392731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820633", "properties": { "id": "GW-7647-KM-04501 similarity", "source_label": "GW-7647", "target_label": "KM-04501", "cosine_similarity": 0.2557003796100616 } }, { "source": "CID:10154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "boldine-zebularine similarity", "source_label": "boldine", "target_label": "zebularine", "cosine_similarity": 0.2738013565540313 } }, { "source": "CID:44505239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "SA-419021-myriocin similarity", "source_label": "SA-419021", "target_label": "myriocin", "cosine_similarity": 0.284801036119461 } }, { "source": "CID:60663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "mibefradil-terfenadine similarity", "source_label": "mibefradil", "target_label": "terfenadine", "cosine_similarity": 0.4573076665401459 } }, { "source": "CID:4967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "prothionamide-phenoxazine similarity", "source_label": "prothionamide", "target_label": "phenoxazine", "cosine_similarity": 0.2373394668102264 } }, { "source": "CID:37542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "ribavirin-PSH-010 similarity", "source_label": "ribavirin", "target_label": "PSH-010", "cosine_similarity": 0.2698159217834472 } }, { "source": "CID:73265211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "XMD-1499-palbociclib similarity", "source_label": "XMD-1499", "target_label": "palbociclib", "cosine_similarity": 0.4378955662250519 } }, { "source": "CID:637213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708584", "properties": { "id": "rhapontin-isogedunin similarity", "source_label": "rhapontin", "target_label": "isogedunin", "cosine_similarity": 0.2862448394298553 } }, { "source": "CID:3765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4649", "properties": { "id": "isoguvacine-aminosalicylic-acid similarity", "source_label": "isoguvacine", "target_label": "aminosalicylic-acid", "cosine_similarity": 0.2215874642133712 } }, { "source": "CID:9886086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "Ro-28-1675-KO-143 similarity", "source_label": "Ro-28-1675", "target_label": "KO-143", "cosine_similarity": 0.6762180924415588 } }, { "source": "CID:5281613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34040", "properties": { "id": "diosmin-nicergoline similarity", "source_label": "diosmin", "target_label": "nicergoline", "cosine_similarity": 0.3223524391651153 } }, { "source": "CID:4707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "PD-158780-PD-0325901 similarity", "source_label": "PD-158780", "target_label": "PD-0325901", "cosine_similarity": 0.521498441696167 } }, { "source": "CID:54654232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505239", "properties": { "id": "SA-1463785-SA-419021 similarity", "source_label": "SA-1463785", "target_label": "SA-419021", "cosine_similarity": 0.2566354870796203 } }, { "source": "CID:3567002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "RS-100329-fumonisin-b1 similarity", "source_label": "RS-100329", "target_label": "fumonisin-b1", "cosine_similarity": 0.289408415555954 } }, { "source": "CID:6708742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208902", "properties": { "id": "inosine-ramelteon similarity", "source_label": "inosine", "target_label": "ramelteon", "cosine_similarity": 0.374037891626358 } }, { "source": "CID:361510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:235382", "properties": { "id": "emodic-acid-SIB-1893 similarity", "source_label": "emodic-acid", "target_label": "SIB-1893", "cosine_similarity": 0.3528511822223663 } }, { "source": "CID:11683005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "darinaparsin-ASN-05257430 similarity", "source_label": "darinaparsin", "target_label": "ASN-05257430", "cosine_similarity": 0.4351846575736999 } }, { "source": "CID:9832447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54688261", "properties": { "id": "efatutazone-warfarin similarity", "source_label": "efatutazone", "target_label": "warfarin", "cosine_similarity": 0.4087459146976471 } }, { "source": "CID:4004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "malathion-lersivirine similarity", "source_label": "malathion", "target_label": "lersivirine", "cosine_similarity": 0.1876844465732574 } }, { "source": "CID:9927768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "tenoxicam-UNC-0321 similarity", "source_label": "tenoxicam", "target_label": "UNC-0321", "cosine_similarity": 0.3009370863437652 } }, { "source": "CID:4238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "molsidomine-L-ergothioneine similarity", "source_label": "molsidomine", "target_label": "L-ergothioneine", "cosine_similarity": 0.8148345351219177 } }, { "source": "CID:2725417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "RDR-01440SC-SA-427543 similarity", "source_label": "RDR-01440SC", "target_label": "SA-427543", "cosine_similarity": 0.2674148678779602 } }, { "source": "CID:20393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666597", "properties": { "id": "monoethylhexylphthalate-SA-1920890 similarity", "source_label": "monoethylhexylphthalate", "target_label": "SA-1920890", "cosine_similarity": 0.2075434476137161 } }, { "source": "CID:10398360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "3-matida-TUL-XX023 similarity", "source_label": "3-matida", "target_label": "TUL-XX023", "cosine_similarity": 0.2553819715976715 } }, { "source": "CID:159324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "tipifarnib-P2-CCT-031374 similarity", "source_label": "tipifarnib-P2", "target_label": "CCT-031374", "cosine_similarity": 0.4501417279243469 } }, { "source": "CID:73602827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1830", "properties": { "id": "THZ-1-5-iodotubercidin similarity", "source_label": "THZ-1", "target_label": "5-iodotubercidin", "cosine_similarity": 0.3989720344543457 } }, { "source": "CID:49835860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "ST-4062971-EMF-sumo1-11 similarity", "source_label": "ST-4062971", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5391432046890259 } }, { "source": "CID:1794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710622", "properties": { "id": "hexamethyleneamiloride-bicuculline similarity", "source_label": "hexamethyleneamiloride", "target_label": "bicuculline", "cosine_similarity": 0.298205554485321 } }, { "source": "CID:9952884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214346", "properties": { "id": "voreloxin-BCI-540 similarity", "source_label": "voreloxin", "target_label": "BCI-540", "cosine_similarity": 0.4099084138870239 } }, { "source": "CID:60186845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "SA-1938757-ST-209453 similarity", "source_label": "SA-1938757", "target_label": "ST-209453", "cosine_similarity": 0.2716430425643921 } }, { "source": "CID:2187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "anastrozole-pritelivir similarity", "source_label": "anastrozole", "target_label": "pritelivir", "cosine_similarity": 0.335097461938858 } }, { "source": "CID:54657742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5337997", "properties": { "id": "SA-1455791-nifuroxazide similarity", "source_label": "SA-1455791", "target_label": "nifuroxazide", "cosine_similarity": 0.2787948846817016 } }, { "source": "CID:9883029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "orteronel-fatostatin similarity", "source_label": "orteronel", "target_label": "fatostatin", "cosine_similarity": 0.4299366176128387 } }, { "source": "CID:854019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38081", "properties": { "id": "cotinine-flunixin similarity", "source_label": "cotinine", "target_label": "flunixin", "cosine_similarity": 0.2545607686042785 } }, { "source": "CID:5282381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691868", "properties": { "id": "misoprostol-ST-4029010 similarity", "source_label": "misoprostol", "target_label": "ST-4029010", "cosine_similarity": 0.217038482427597 } }, { "source": "CID:129009888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "ursodiol-bucladesine similarity", "source_label": "ursodiol", "target_label": "bucladesine", "cosine_similarity": 0.4020928144454956 } }, { "source": "CID:4817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "pifithrin-alpha-BMS-191011 similarity", "source_label": "pifithrin-alpha", "target_label": "BMS-191011", "cosine_similarity": 0.56344074010849 } }, { "source": "CID:24855958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "TCS-2002-SB-216763 similarity", "source_label": "TCS-2002", "target_label": "SB-216763", "cosine_similarity": 0.397575169801712 } }, { "source": "CID:753704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "SKI-II-cyclosporin-a similarity", "source_label": "SKI-II", "target_label": "cyclosporin-a", "cosine_similarity": 0.6801477074623108 } }, { "source": "CID:5478883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "pepstatin-amikacin similarity", "source_label": "pepstatin", "target_label": "amikacin", "cosine_similarity": 0.6140720248222351 } }, { "source": "CID:123686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9989505", "properties": { "id": "ICI-89406-immethridine similarity", "source_label": "ICI-89406", "target_label": "immethridine", "cosine_similarity": 0.2582992613315582 } }, { "source": "CID:10427712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "TG-100115-rocuronium similarity", "source_label": "TG-100115", "target_label": "rocuronium", "cosine_similarity": 0.3320124447345733 } }, { "source": "CID:45115609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "VU-0414833-2-DM-161 similarity", "source_label": "VU-0414833-2", "target_label": "DM-161", "cosine_similarity": 0.2451573312282562 } }, { "source": "CID:5983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "physostigmine-saxagliptin similarity", "source_label": "physostigmine", "target_label": "saxagliptin", "cosine_similarity": 0.3985388875007629 } }, { "source": "CID:110634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "vardenafil-cinoxacin similarity", "source_label": "vardenafil", "target_label": "cinoxacin", "cosine_similarity": 0.500464677810669 } }, { "source": "CID:11707110", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "trametinib-selumetinib similarity", "source_label": "trametinib", "target_label": "selumetinib", "cosine_similarity": 0.921485185623169 } }, { "source": "CID:44488817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-84512-SA-1462678 similarity", "source_label": "SA-84512", "target_label": "SA-1462678", "cosine_similarity": 0.3113197386264801 } }, { "source": "CID:73707462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3053", "properties": { "id": "alfadolone-pentetic-acid similarity", "source_label": "alfadolone", "target_label": "pentetic-acid", "cosine_similarity": 0.2734108567237854 } }, { "source": "CID:442424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "genipin-piperacillin similarity", "source_label": "genipin", "target_label": "piperacillin", "cosine_similarity": 0.4691949784755707 } }, { "source": "CID:2366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "betahistine-A-769662 similarity", "source_label": "betahistine", "target_label": "A-769662", "cosine_similarity": 0.2767819464206695 } }, { "source": "CID:151118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "CPI-1189-ICI-162846 similarity", "source_label": "CPI-1189", "target_label": "ICI-162846", "cosine_similarity": 0.5366177558898926 } }, { "source": "CID:34870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "amineptine-lersivirine similarity", "source_label": "amineptine", "target_label": "lersivirine", "cosine_similarity": 0.4367364048957824 } }, { "source": "CID:59239165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262792", "properties": { "id": "GDC-0349-AZD-2014 similarity", "source_label": "GDC-0349", "target_label": "AZD-2014", "cosine_similarity": 0.7680465579032898 } }, { "source": "CID:5353623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "farnesylthioacetic-acid-T-5345967 similarity", "source_label": "farnesylthioacetic-acid", "target_label": "T-5345967", "cosine_similarity": 0.2553365528583526 } }, { "source": "CID:5311346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "PD-128907-iodoquinol similarity", "source_label": "PD-128907", "target_label": "iodoquinol", "cosine_similarity": 0.7162204384803772 } }, { "source": "CID:5426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "thalidomide-BMS-641988 similarity", "source_label": "thalidomide", "target_label": "BMS-641988", "cosine_similarity": 0.4835517704486847 } }, { "source": "CID:5002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "quetiapine-risperidone similarity", "source_label": "quetiapine", "target_label": "risperidone", "cosine_similarity": 0.542312502861023 } }, { "source": "CID:54666542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666590", "properties": { "id": "SA-1922006-SA-1922959 similarity", "source_label": "SA-1922006", "target_label": "SA-1922959", "cosine_similarity": 0.2948341369628906 } }, { "source": "CID:5318433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "indirubin-yohimbine similarity", "source_label": "indirubin", "target_label": "yohimbine", "cosine_similarity": 0.3933513164520263 } }, { "source": "CID:125564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57697", "properties": { "id": "blonanserin-pemirolast similarity", "source_label": "blonanserin", "target_label": "pemirolast", "cosine_similarity": 0.3235153257846832 } }, { "source": "CID:73707354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4114", "properties": { "id": "eserine-methoxsalen similarity", "source_label": "eserine", "target_label": "methoxsalen", "cosine_similarity": 0.2023022472858429 } }, { "source": "CID:15387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "melperone-ketotifen similarity", "source_label": "melperone", "target_label": "ketotifen", "cosine_similarity": 0.2642041444778442 } }, { "source": "CID:6736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5712", "properties": { "id": "skatole-YC-1 similarity", "source_label": "skatole", "target_label": "YC-1", "cosine_similarity": 0.2381531447172165 } }, { "source": "CID:68873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "drospirenone-PF-04620110 similarity", "source_label": "drospirenone", "target_label": "PF-04620110", "cosine_similarity": 0.2321892380714416 } }, { "source": "CID:3902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "letrozole-loxoprofen similarity", "source_label": "letrozole", "target_label": "loxoprofen", "cosine_similarity": 0.4443319737911224 } }, { "source": "CID:2973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "deferoxamine-mesylate-phenyl-aminosalicylate similarity", "source_label": "deferoxamine-mesylate", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.5219748616218567 } }, { "source": "CID:5282054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "cerulenin-manumycin-a similarity", "source_label": "cerulenin", "target_label": "manumycin-a", "cosine_similarity": 0.725663959980011 } }, { "source": "CID:54669029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "SA-1921574-orphenadrine similarity", "source_label": "SA-1921574", "target_label": "orphenadrine", "cosine_similarity": 0.2702759206295013 } }, { "source": "CID:10029385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24906282", "properties": { "id": "LY-2090314-KIN001-043 similarity", "source_label": "LY-2090314", "target_label": "KIN001-043", "cosine_similarity": 0.5893049240112305 } }, { "source": "CID:219271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "EBPC-sarcosine similarity", "source_label": "EBPC", "target_label": "sarcosine", "cosine_similarity": 0.3441504836082458 } }, { "source": "CID:4814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49848070", "properties": { "id": "picotamide-taladegib similarity", "source_label": "picotamide", "target_label": "taladegib", "cosine_similarity": 0.388037234544754 } }, { "source": "CID:73707426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2335", "properties": { "id": "alfacalcidol-benzethonium similarity", "source_label": "alfacalcidol", "target_label": "benzethonium", "cosine_similarity": 0.3711242377758026 } }, { "source": "CID:19003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "ciclacillin-JZL-184 similarity", "source_label": "ciclacillin", "target_label": "JZL-184", "cosine_similarity": 0.3247467875480652 } }, { "source": "CID:16007391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:58573469", "properties": { "id": "barasertib-HQPA-AMG-232 similarity", "source_label": "barasertib-HQPA", "target_label": "AMG-232", "cosine_similarity": 0.3408671915531158 } }, { "source": "CID:10071196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44623946", "properties": { "id": "pimavanserin-N-6022 similarity", "source_label": "pimavanserin", "target_label": "N-6022", "cosine_similarity": 0.4872881174087524 } }, { "source": "CID:2391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "bisacodyl-proscillaridin similarity", "source_label": "bisacodyl", "target_label": "proscillaridin", "cosine_similarity": 0.514824628829956 } }, { "source": "CID:5092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "rolipram-carbamazepine similarity", "source_label": "rolipram", "target_label": "carbamazepine", "cosine_similarity": 0.4909319281578064 } }, { "source": "CID:5702266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "amcinonide-methylprednisolone similarity", "source_label": "amcinonide", "target_label": "methylprednisolone", "cosine_similarity": 0.5453728437423706 } }, { "source": "CID:71657455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132971", "properties": { "id": "ivosidenib-abiraterone similarity", "source_label": "ivosidenib", "target_label": "abiraterone", "cosine_similarity": 0.2834598422050476 } }, { "source": "CID:53708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918409", "properties": { "id": "enoximone-CO-101244 similarity", "source_label": "enoximone", "target_label": "CO-101244", "cosine_similarity": 0.2019058912992477 } }, { "source": "CID:5546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "triamterene-yohimbine similarity", "source_label": "triamterene", "target_label": "yohimbine", "cosine_similarity": 0.266129195690155 } }, { "source": "CID:3785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135564985", "properties": { "id": "itdac-1-ganetespib similarity", "source_label": "itdac-1", "target_label": "ganetespib", "cosine_similarity": 0.2272197604179382 } }, { "source": "CID:236702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "dexamethasone-hydrocortisone similarity", "source_label": "dexamethasone", "target_label": "hydrocortisone", "cosine_similarity": 0.8323075175285339 } }, { "source": "CID:188244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15592", "properties": { "id": "allantoxanamide-1-methylisoquinoline similarity", "source_label": "allantoxanamide", "target_label": "1-methylisoquinoline", "cosine_similarity": 0.1961896270513534 } }, { "source": "CID:11719003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "BVD-523-TAK-733 similarity", "source_label": "BVD-523", "target_label": "TAK-733", "cosine_similarity": 0.6385577917098999 } }, { "source": "CID:54657716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "SA-1457472-liranaftate similarity", "source_label": "SA-1457472", "target_label": "liranaftate", "cosine_similarity": 0.2823897004127502 } }, { "source": "CID:44907124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "VU-0413247-1-dichlorobenzamil similarity", "source_label": "VU-0413247-1", "target_label": "dichlorobenzamil", "cosine_similarity": 0.2646949887275696 } }, { "source": "CID:9903786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "TPCA-1-cyclosporin-a similarity", "source_label": "TPCA-1", "target_label": "cyclosporin-a", "cosine_similarity": 0.583634614944458 } }, { "source": "CID:161930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:656665", "properties": { "id": "icilin-tropisetron similarity", "source_label": "icilin", "target_label": "tropisetron", "cosine_similarity": 0.2428260892629623 } }, { "source": "CID:44616431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-441145-SA-101686 similarity", "source_label": "SA-441145", "target_label": "SA-101686", "cosine_similarity": 0.432437002658844 } }, { "source": "CID:6445533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "dacinostat-vorinostat similarity", "source_label": "dacinostat", "target_label": "vorinostat", "cosine_similarity": 0.933933675289154 } }, { "source": "CID:73265214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483234", "properties": { "id": "QL-XI-92-terreic-acid similarity", "source_label": "QL-XI-92", "target_label": "terreic-acid", "cosine_similarity": 0.3306893110275268 } }, { "source": "CID:1046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "pyrazinamide-vortioxetine similarity", "source_label": "pyrazinamide", "target_label": "vortioxetine", "cosine_similarity": 0.3365669250488281 } }, { "source": "CID:54654232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485243", "properties": { "id": "SA-1463785-SA-85290 similarity", "source_label": "SA-1463785", "target_label": "SA-85290", "cosine_similarity": 0.3160802125930786 } }, { "source": "CID:23351218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "radicicol-NSC-632839 similarity", "source_label": "radicicol", "target_label": "NSC-632839", "cosine_similarity": 0.7196577787399292 } }, { "source": "CID:1548953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "clomifene-promazine similarity", "source_label": "clomifene", "target_label": "promazine", "cosine_similarity": 0.5076850056648254 } }, { "source": "CID:5329099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "orantinib-FTI-276 similarity", "source_label": "orantinib", "target_label": "FTI-276", "cosine_similarity": 0.428108274936676 } }, { "source": "CID:2378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "bifonazole-valsartan similarity", "source_label": "bifonazole", "target_label": "valsartan", "cosine_similarity": 0.290260374546051 } }, { "source": "CID:23351218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549213", "properties": { "id": "radicicol-PU-H71 similarity", "source_label": "radicicol", "target_label": "PU-H71", "cosine_similarity": 0.7324824929237366 } }, { "source": "CID:5335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "sulfaphenazole-S-isopropylisothiourea similarity", "source_label": "sulfaphenazole", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.2290863841772079 } }, { "source": "CID:3590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "heptaminol-SA-97378 similarity", "source_label": "heptaminol", "target_label": "SA-97378", "cosine_similarity": 0.2337387055158615 } }, { "source": "CID:13711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "torcitabine-meclizine similarity", "source_label": "torcitabine", "target_label": "meclizine", "cosine_similarity": 0.3321930766105652 } }, { "source": "CID:54197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "ceftazidime-DAC-009 similarity", "source_label": "ceftazidime", "target_label": "DAC-009", "cosine_similarity": 0.2103848308324813 } }, { "source": "CID:5281847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "rottlerin-tyrphostin-A9 similarity", "source_label": "rottlerin", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5832053422927856 } }, { "source": "CID:5324346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "fluvoxamine-vinpocetine similarity", "source_label": "fluvoxamine", "target_label": "vinpocetine", "cosine_similarity": 0.4614766836166382 } }, { "source": "CID:4133412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "DL-TBOA-PRIMA1 similarity", "source_label": "DL-TBOA", "target_label": "PRIMA1", "cosine_similarity": 0.6631372570991516 } }, { "source": "CID:65482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3675", "properties": { "id": "sinefungin-phenelzine similarity", "source_label": "sinefungin", "target_label": "phenelzine", "cosine_similarity": 0.2081709206104278 } }, { "source": "CID:3036864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549289", "properties": { "id": "SCH-23390-TWS-119 similarity", "source_label": "SCH-23390", "target_label": "TWS-119", "cosine_similarity": 0.3234145045280456 } }, { "source": "CID:4878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "PP-2-dasatinib similarity", "source_label": "PP-2", "target_label": "dasatinib", "cosine_similarity": 0.539060115814209 } }, { "source": "CID:6450551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "axitinib-sorafenib similarity", "source_label": "axitinib", "target_label": "sorafenib", "cosine_similarity": 0.3352710008621216 } }, { "source": "CID:5281071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "olopatadine-JAS07-006 similarity", "source_label": "olopatadine", "target_label": "JAS07-006", "cosine_similarity": 0.2816678285598755 } }, { "source": "CID:3894573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "RS-17053-suloctidil similarity", "source_label": "RS-17053", "target_label": "suloctidil", "cosine_similarity": 0.7134699821472168 } }, { "source": "CID:443874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "temocapril-imiloxan similarity", "source_label": "temocapril", "target_label": "imiloxan", "cosine_similarity": 0.3526354432106018 } }, { "source": "CID:5281081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500998", "properties": { "id": "entacapone-SA-245650 similarity", "source_label": "entacapone", "target_label": "SA-245650", "cosine_similarity": 0.1968058496713638 } }, { "source": "CID:3953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "lonidamine-alaproclate similarity", "source_label": "lonidamine", "target_label": "alaproclate", "cosine_similarity": 0.3328183889389038 } }, { "source": "CID:25031915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "lucitanib-aminoguanidine similarity", "source_label": "lucitanib", "target_label": "aminoguanidine", "cosine_similarity": 0.3892419338226318 } }, { "source": "CID:54657678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-1456443-SA-1921996 similarity", "source_label": "SA-1456443", "target_label": "SA-1921996", "cosine_similarity": 0.2801512777805328 } }, { "source": "CID:3878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "lamotrigine-zebularine similarity", "source_label": "lamotrigine", "target_label": "zebularine", "cosine_similarity": 0.4792202115058899 } }, { "source": "CID:54617432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190539", "properties": { "id": "SA-424380-SA-1939945 similarity", "source_label": "SA-424380", "target_label": "SA-1939945", "cosine_similarity": 0.3730769455432892 } }, { "source": "CID:5450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51173", "properties": { "id": "thioperamide-flurofamide similarity", "source_label": "thioperamide", "target_label": "flurofamide", "cosine_similarity": 0.3048056066036224 } }, { "source": "CID:2735313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77991", "properties": { "id": "A-7-rivastigmine similarity", "source_label": "A-7", "target_label": "rivastigmine", "cosine_similarity": 0.2709657847881317 } }, { "source": "CID:24856436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "MK-1775-HMN-214 similarity", "source_label": "MK-1775", "target_label": "HMN-214", "cosine_similarity": 0.4689601957798004 } }, { "source": "CID:25025298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44557636", "properties": { "id": "telotristat-dipraglurant similarity", "source_label": "telotristat", "target_label": "dipraglurant", "cosine_similarity": 0.2965972125530243 } }, { "source": "CID:1379247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "DAC-004-DAC-009 similarity", "source_label": "DAC-004", "target_label": "DAC-009", "cosine_similarity": 0.6756590008735657 } }, { "source": "CID:6710736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "troxerutin-cefprozil similarity", "source_label": "troxerutin", "target_label": "cefprozil", "cosine_similarity": 0.5106995701789856 } }, { "source": "CID:24965990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "suvorexant-dorzolamide similarity", "source_label": "suvorexant", "target_label": "dorzolamide", "cosine_similarity": 0.3862694203853607 } }, { "source": "CID:60490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "zileuton-resveratrol similarity", "source_label": "zileuton", "target_label": "resveratrol", "cosine_similarity": 0.3986481428146362 } }, { "source": "CID:40486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "A-23187-z-leu3-VS similarity", "source_label": "A-23187", "target_label": "z-leu3-VS", "cosine_similarity": 0.570553183555603 } }, { "source": "CID:3202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "edrophonium-ST-209453 similarity", "source_label": "edrophonium", "target_label": "ST-209453", "cosine_similarity": 0.2345288395881652 } }, { "source": "CID:23725625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25257557", "properties": { "id": "olaparib-CX-5461 similarity", "source_label": "olaparib", "target_label": "CX-5461", "cosine_similarity": 0.4100660979747772 } }, { "source": "CID:13292831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "prostaglandin-NSC-632839 similarity", "source_label": "prostaglandin", "target_label": "NSC-632839", "cosine_similarity": 0.4343322217464447 } }, { "source": "CID:23976270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "JPR-3-97-17-SD-6-035-A3 similarity", "source_label": "JPR-3-97-17", "target_label": "SD-6-035-A3", "cosine_similarity": 0.2996372580528259 } }, { "source": "CID:24800541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11556711", "properties": { "id": "delanzomib-carfilzomib similarity", "source_label": "delanzomib", "target_label": "carfilzomib", "cosine_similarity": 0.5708488821983337 } }, { "source": "CID:25117126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15376", "properties": { "id": "defactinib-vincamine similarity", "source_label": "defactinib", "target_label": "vincamine", "cosine_similarity": 0.2687568962574005 } }, { "source": "CID:4431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475158", "properties": { "id": "NAN-190-cinanserin similarity", "source_label": "NAN-190", "target_label": "cinanserin", "cosine_similarity": 0.1747825145721435 } }, { "source": "CID:11539025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5169", "properties": { "id": "LY-2228820-SB-202190 similarity", "source_label": "LY-2228820", "target_label": "SB-202190", "cosine_similarity": 0.3425466120243072 } }, { "source": "CID:10633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125085", "properties": { "id": "mestanolone-p-aminophenethylspiperone similarity", "source_label": "mestanolone", "target_label": "p-aminophenethylspiperone", "cosine_similarity": 0.1921720206737518 } }, { "source": "CID:9891901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "NGB-2904-SA-84512 similarity", "source_label": "NGB-2904", "target_label": "SA-84512", "cosine_similarity": 0.2139866054058075 } }, { "source": "CID:16656685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "danegaptide-gimeracil similarity", "source_label": "danegaptide", "target_label": "gimeracil", "cosine_similarity": 0.6288999319076538 } }, { "source": "CID:11395181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "NCH-51-PCI-24781 similarity", "source_label": "NCH-51", "target_label": "PCI-24781", "cosine_similarity": 0.8347750902175903 } }, { "source": "CID:16760027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "BML-259-AG-14361 similarity", "source_label": "BML-259", "target_label": "AG-14361", "cosine_similarity": 0.7960384488105774 } }, { "source": "CID:53377419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "BG-STK33-55-MW-STK33-100 similarity", "source_label": "BG-STK33-55", "target_label": "MW-STK33-100", "cosine_similarity": 0.5054478645324707 } }, { "source": "CID:4066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "levomequitazine-vismodegib similarity", "source_label": "levomequitazine", "target_label": "vismodegib", "cosine_similarity": 0.2862842679023742 } }, { "source": "CID:3542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "H-7-BML-259 similarity", "source_label": "H-7", "target_label": "BML-259", "cosine_similarity": 0.3464765250682831 } }, { "source": "CID:54658965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489864", "properties": { "id": "SA-1456352-SA-424589 similarity", "source_label": "SA-1456352", "target_label": "SA-424589", "cosine_similarity": 0.2560137808322906 } }, { "source": "CID:44507291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "SA-247615-vinorelbine similarity", "source_label": "SA-247615", "target_label": "vinorelbine", "cosine_similarity": 0.3545798063278198 } }, { "source": "CID:3343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4495", "properties": { "id": "fenoterol-nimesulide similarity", "source_label": "fenoterol", "target_label": "nimesulide", "cosine_similarity": 0.3034321367740631 } }, { "source": "CID:72326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23897", "properties": { "id": "NSC-4644-molindone similarity", "source_label": "NSC-4644", "target_label": "molindone", "cosine_similarity": 0.355350911617279 } }, { "source": "CID:13186954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:969516", "properties": { "id": "KU-C103656-curcumin similarity", "source_label": "KU-C103656", "target_label": "curcumin", "cosine_similarity": 0.2448267042636871 } }, { "source": "CID:3816756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "AT-SUMO-1-CVF-SUMO-11 similarity", "source_label": "AT-SUMO-1", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.6898791790008545 } }, { "source": "CID:45376076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707399", "properties": { "id": "RN-1-SA-1458571 similarity", "source_label": "RN-1", "target_label": "SA-1458571", "cosine_similarity": 0.1749006807804107 } }, { "source": "CID:128878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "2-iminobiotin-aminoguanidine similarity", "source_label": "2-iminobiotin", "target_label": "aminoguanidine", "cosine_similarity": 0.4777078330516815 } }, { "source": "CID:124246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "iguratimod-rilmenidine similarity", "source_label": "iguratimod", "target_label": "rilmenidine", "cosine_similarity": 0.5446845889091492 } }, { "source": "CID:40469923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "O-1918-naftidrofuryl similarity", "source_label": "O-1918", "target_label": "naftidrofuryl", "cosine_similarity": 0.1963916420936584 } }, { "source": "CID:56973724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49766530", "properties": { "id": "AZ-3146-TL-HRAS-61 similarity", "source_label": "AZ-3146", "target_label": "TL-HRAS-61", "cosine_similarity": 0.2758600413799286 } }, { "source": "CID:54585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "balsalazide-PF-04620110 similarity", "source_label": "balsalazide", "target_label": "PF-04620110", "cosine_similarity": 0.4442088901996612 } }, { "source": "CID:44607360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "WZ-3146-sertraline similarity", "source_label": "WZ-3146", "target_label": "sertraline", "cosine_similarity": 0.5128403902053833 } }, { "source": "CID:17507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707476", "properties": { "id": "etamsylate-pivampicillin similarity", "source_label": "etamsylate", "target_label": "pivampicillin", "cosine_similarity": 0.3010200560092926 } }, { "source": "CID:5071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4992", "properties": { "id": "rimantadine-mepyramine similarity", "source_label": "rimantadine", "target_label": "mepyramine", "cosine_similarity": 0.3727794289588928 } }, { "source": "CID:5094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3741", "properties": { "id": "ronidazole-ioversol similarity", "source_label": "ronidazole", "target_label": "ioversol", "cosine_similarity": 0.3067106902599334 } }, { "source": "CID:6918184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10160238", "properties": { "id": "Y-27152-tasisulam similarity", "source_label": "Y-27152", "target_label": "tasisulam", "cosine_similarity": 0.3900801837444305 } }, { "source": "CID:2247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "astemizole-BIBU-1361 similarity", "source_label": "astemizole", "target_label": "BIBU-1361", "cosine_similarity": 0.3976004719734192 } }, { "source": "CID:657309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ipratropium-anandamide similarity", "source_label": "ipratropium", "target_label": "anandamide", "cosine_similarity": 0.4258289039134979 } }, { "source": "CID:11715767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "PHA-767491-AZD-5438 similarity", "source_label": "PHA-767491", "target_label": "AZD-5438", "cosine_similarity": 0.5908544659614563 } }, { "source": "CID:60187611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-1939838-SA-101686 similarity", "source_label": "SA-1939838", "target_label": "SA-101686", "cosine_similarity": 0.3042579889297485 } }, { "source": "CID:130325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "SA-792709-pifithrin-mu similarity", "source_label": "SA-792709", "target_label": "pifithrin-mu", "cosine_similarity": 0.6977872252464294 } }, { "source": "CID:6047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "levodopa-L-689560 similarity", "source_label": "levodopa", "target_label": "L-689560", "cosine_similarity": 0.1988791227340698 } }, { "source": "CID:395754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "FTI-276-ML-161 similarity", "source_label": "FTI-276", "target_label": "ML-161", "cosine_similarity": 0.4913534820079803 } }, { "source": "CID:4938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702063", "properties": { "id": "propentofylline-guanaben-acetate similarity", "source_label": "propentofylline", "target_label": "guanaben-acetate", "cosine_similarity": 0.4183480441570282 } }, { "source": "CID:73707373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2949965", "properties": { "id": "COT-10b-importazole similarity", "source_label": "COT-10b", "target_label": "importazole", "cosine_similarity": 0.6197780966758728 } }, { "source": "CID:9926048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "DMAB-anabaseine-NSC-23766 similarity", "source_label": "DMAB-anabaseine", "target_label": "NSC-23766", "cosine_similarity": 0.2275744080543518 } }, { "source": "CID:110635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "tadalafil-iproniazid similarity", "source_label": "tadalafil", "target_label": "iproniazid", "cosine_similarity": 0.3399626016616821 } }, { "source": "CID:16061509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760141", "properties": { "id": "bavisant-moxidectin similarity", "source_label": "bavisant", "target_label": "moxidectin", "cosine_similarity": 0.3001035749912262 } }, { "source": "CID:5282230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "tranilast-disopyramide similarity", "source_label": "tranilast", "target_label": "disopyramide", "cosine_similarity": 0.3835103511810303 } }, { "source": "CID:2689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "CGS-12066B-raloxifene similarity", "source_label": "CGS-12066B", "target_label": "raloxifene", "cosine_similarity": 0.2785349786281585 } }, { "source": "CID:3392731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "GW-7647-GW-1929 similarity", "source_label": "GW-7647", "target_label": "GW-1929", "cosine_similarity": 0.2421080917119979 } }, { "source": "CID:343083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "cuneatin-TAK-715 similarity", "source_label": "cuneatin", "target_label": "TAK-715", "cosine_similarity": 0.2861696481704712 } }, { "source": "CID:6780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92786", "properties": { "id": "anthraquinone-eltanolone similarity", "source_label": "anthraquinone", "target_label": "eltanolone", "cosine_similarity": 0.5271843671798706 } }, { "source": "CID:3970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5342", "properties": { "id": "LY-278584-sulfinpyrazone similarity", "source_label": "LY-278584", "target_label": "sulfinpyrazone", "cosine_similarity": 0.2210071980953216 } }, { "source": "CID:44620122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "SD-6-035-A9-BG-STK33-55 similarity", "source_label": "SD-6-035-A9", "target_label": "BG-STK33-55", "cosine_similarity": 0.2382516860961914 } }, { "source": "CID:44506644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483939", "properties": { "id": "SA-247508-SA-1944378 similarity", "source_label": "SA-247508", "target_label": "SA-1944378", "cosine_similarity": 0.4512898027896881 } }, { "source": "CID:44632017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "YK-4279-BMS-191011 similarity", "source_label": "YK-4279", "target_label": "BMS-191011", "cosine_similarity": 0.5820385217666626 } }, { "source": "CID:3198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "econazole-actarit similarity", "source_label": "econazole", "target_label": "actarit", "cosine_similarity": 0.3533333539962768 } }, { "source": "CID:13738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "oxolamine-proxyphylline similarity", "source_label": "oxolamine", "target_label": "proxyphylline", "cosine_similarity": 0.2759936451911926 } }, { "source": "CID:47965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54677407", "properties": { "id": "cefadroxil-robustic-acid similarity", "source_label": "cefadroxil", "target_label": "robustic-acid", "cosine_similarity": 0.2047926038503646 } }, { "source": "CID:5732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "zolpidem-estradiol-cypionate similarity", "source_label": "zolpidem", "target_label": "estradiol-cypionate", "cosine_similarity": 0.4663133323192596 } }, { "source": "CID:54654640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-1472514-SA-419010 similarity", "source_label": "SA-1472514", "target_label": "SA-419010", "cosine_similarity": 0.2435240596532821 } }, { "source": "CID:48229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23351218", "properties": { "id": "talniflumate-radicicol similarity", "source_label": "talniflumate", "target_label": "radicicol", "cosine_similarity": 0.2230469584465026 } }, { "source": "CID:5921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "n-nitrosodiethylamine-risperidone similarity", "source_label": "n-nitrosodiethylamine", "target_label": "risperidone", "cosine_similarity": 0.2762776017189026 } }, { "source": "CID:9874913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "CP-724714-CGS-20625 similarity", "source_label": "CP-724714", "target_label": "CGS-20625", "cosine_similarity": 0.3371375203132629 } }, { "source": "CID:11224409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926", "properties": { "id": "radezolid-lidoflazine similarity", "source_label": "radezolid", "target_label": "lidoflazine", "cosine_similarity": 0.2947627007961273 } }, { "source": "CID:3058754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "deracoxib-dapivirine similarity", "source_label": "deracoxib", "target_label": "dapivirine", "cosine_similarity": 0.2149171084165573 } }, { "source": "CID:2267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "azelastine-sacubitril similarity", "source_label": "azelastine", "target_label": "sacubitril", "cosine_similarity": 0.3328210711479187 } }, { "source": "CID:131536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11417954", "properties": { "id": "fosamprenavir-ADL-5859 similarity", "source_label": "fosamprenavir", "target_label": "ADL-5859", "cosine_similarity": 0.292879045009613 } }, { "source": "CID:44507272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "K1448-SA-247714 similarity", "source_label": "K1448", "target_label": "SA-247714", "cosine_similarity": 0.3139262497425079 } }, { "source": "CID:51634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433118", "properties": { "id": "miglustat-lirimilast similarity", "source_label": "miglustat", "target_label": "lirimilast", "cosine_similarity": 0.4076065123081207 } }, { "source": "CID:5748555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "mammea-a-tyrphostin-A9 similarity", "source_label": "mammea-a", "target_label": "tyrphostin-A9", "cosine_similarity": 0.400273710489273 } }, { "source": "CID:3080926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "2-BFI-fisetin similarity", "source_label": "2-BFI", "target_label": "fisetin", "cosine_similarity": 0.4788838922977447 } }, { "source": "CID:44462705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "KU-C103654-ST-4029655 similarity", "source_label": "KU-C103654", "target_label": "ST-4029655", "cosine_similarity": 0.2593784630298614 } }, { "source": "CID:2419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "BMY-7378-methyl-fasudil similarity", "source_label": "BMY-7378", "target_label": "methyl-fasudil", "cosine_similarity": 0.3414636254310608 } }, { "source": "CID:60825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1176", "properties": { "id": "lamivudine-urea similarity", "source_label": "lamivudine", "target_label": "urea", "cosine_similarity": 0.4930983483791351 } }, { "source": "CID:54657739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669344", "properties": { "id": "SA-1458189-SA-1919667 similarity", "source_label": "SA-1458189", "target_label": "SA-1919667", "cosine_similarity": 0.2786954343318939 } }, { "source": "CID:23930397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "heliotrine-IDRA-21 similarity", "source_label": "heliotrine", "target_label": "IDRA-21", "cosine_similarity": 0.3856417238712311 } }, { "source": "CID:129010074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610243", "properties": { "id": "batimastat-penitrem-a similarity", "source_label": "batimastat", "target_label": "penitrem-a", "cosine_similarity": 0.3900296986103058 } }, { "source": "CID:4520732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4810", "properties": { "id": "BU-239-moxonidine similarity", "source_label": "BU-239", "target_label": "moxonidine", "cosine_similarity": 0.3568227887153625 } }, { "source": "CID:4915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "procarbazine-levosulpiride similarity", "source_label": "procarbazine", "target_label": "levosulpiride", "cosine_similarity": 0.2736784815788269 } }, { "source": "CID:3334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "fenbendazole-vinblastine similarity", "source_label": "fenbendazole", "target_label": "vinblastine", "cosine_similarity": 0.6340728402137756 } }, { "source": "CID:49843099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-441350-SA-1920722 similarity", "source_label": "SA-441350", "target_label": "SA-1920722", "cosine_similarity": 0.380619078874588 } }, { "source": "CID:5143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "saccharin-dienestrol similarity", "source_label": "saccharin", "target_label": "dienestrol", "cosine_similarity": 0.3217043876647949 } }, { "source": "CID:3546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "HA-1004-naftidrofuryl similarity", "source_label": "HA-1004", "target_label": "naftidrofuryl", "cosine_similarity": 0.308821439743042 } }, { "source": "CID:2351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "bepridil-trifluoperazine similarity", "source_label": "bepridil", "target_label": "trifluoperazine", "cosine_similarity": 0.3198487162590027 } }, { "source": "CID:641266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061185", "properties": { "id": "anabasine-mead-ethanolamide similarity", "source_label": "anabasine", "target_label": "mead-ethanolamide", "cosine_similarity": 0.2675945460796356 } }, { "source": "CID:5566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "trifluoperazine-CAY-10594 similarity", "source_label": "trifluoperazine", "target_label": "CAY-10594", "cosine_similarity": 0.7278529405593872 } }, { "source": "CID:4086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "orciprenaline-gatifloxacin similarity", "source_label": "orciprenaline", "target_label": "gatifloxacin", "cosine_similarity": 0.4958536624908447 } }, { "source": "CID:1544274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "EMF-sumo1-4-carbamazepine similarity", "source_label": "EMF-sumo1-4", "target_label": "carbamazepine", "cosine_similarity": 0.3432915508747101 } }, { "source": "CID:3074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11964036", "properties": { "id": "dilazep-KU-0060648 similarity", "source_label": "dilazep", "target_label": "KU-0060648", "cosine_similarity": 0.2984523773193359 } }, { "source": "CID:73438898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24906282", "properties": { "id": "CHIR-99021-KIN001-043 similarity", "source_label": "CHIR-99021", "target_label": "KIN001-043", "cosine_similarity": 0.603913426399231 } }, { "source": "CID:3310692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "leoidin-hydrocortisone-acetate similarity", "source_label": "leoidin", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3077889680862427 } }, { "source": "CID:44462758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329102", "properties": { "id": "PRT-062607-sunitinib similarity", "source_label": "PRT-062607", "target_label": "sunitinib", "cosine_similarity": 0.2904740273952484 } }, { "source": "CID:73707499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4855", "properties": { "id": "paromomycin-piromidic-acid similarity", "source_label": "paromomycin", "target_label": "piromidic-acid", "cosine_similarity": 0.2489915639162063 } }, { "source": "CID:5330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323", "properties": { "id": "sulfamethoxypyridazine-sulfadimethoxine similarity", "source_label": "sulfamethoxypyridazine", "target_label": "sulfadimethoxine", "cosine_similarity": 0.3074988424777984 } }, { "source": "CID:5578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1547484", "properties": { "id": "trimethoprim-cinnarizine similarity", "source_label": "trimethoprim", "target_label": "cinnarizine", "cosine_similarity": 0.2829011380672455 } }, { "source": "CID:39186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131747", "properties": { "id": "diltiazem-SR-57227A similarity", "source_label": "diltiazem", "target_label": "SR-57227A", "cosine_similarity": 0.2843839824199676 } }, { "source": "CID:10275777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "betrixaban-rizatriptan similarity", "source_label": "betrixaban", "target_label": "rizatriptan", "cosine_similarity": 0.3390900790691376 } }, { "source": "CID:213023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "dabigatran-etexilate-vortioxetine similarity", "source_label": "dabigatran-etexilate", "target_label": "vortioxetine", "cosine_similarity": 0.3796150684356689 } }, { "source": "CID:59227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "rotigotine-GDC-0199 similarity", "source_label": "rotigotine", "target_label": "GDC-0199", "cosine_similarity": 0.2286347597837448 } }, { "source": "CID:51695577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:58258", "properties": { "id": "melengestrol-rufloxacin similarity", "source_label": "melengestrol", "target_label": "rufloxacin", "cosine_similarity": 0.2101494967937469 } }, { "source": "CID:9417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "opipramol-tetrandrine similarity", "source_label": "opipramol", "target_label": "tetrandrine", "cosine_similarity": 0.2236995995044708 } }, { "source": "CID:4173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "metronidazole-delanzomib similarity", "source_label": "metronidazole", "target_label": "delanzomib", "cosine_similarity": 0.4165642559528351 } }, { "source": "CID:9830392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "WAY-170523-VU-0418939-2 similarity", "source_label": "WAY-170523", "target_label": "VU-0418939-2", "cosine_similarity": 0.6090745329856873 } }, { "source": "CID:2581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "carprofen-lorcaserin similarity", "source_label": "carprofen", "target_label": "lorcaserin", "cosine_similarity": 0.4190147519111633 } }, { "source": "CID:54657718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2805", "properties": { "id": "SA-1456456-cloperastine similarity", "source_label": "SA-1456456", "target_label": "cloperastine", "cosine_similarity": 0.1965950578451156 } }, { "source": "CID:20854254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "KU-C104236N-BMS-641988 similarity", "source_label": "KU-C104236N", "target_label": "BMS-641988", "cosine_similarity": 0.322038322687149 } }, { "source": "CID:193962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "etravirine-vortioxetine similarity", "source_label": "etravirine", "target_label": "vortioxetine", "cosine_similarity": 0.3183969557285309 } }, { "source": "CID:154059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "solifenacin-succinate-ropinirole similarity", "source_label": "solifenacin-succinate", "target_label": "ropinirole", "cosine_similarity": 0.2596428096294403 } }, { "source": "CID:5893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "nadide-sparfloxacin similarity", "source_label": "nadide", "target_label": "sparfloxacin", "cosine_similarity": 0.2682893276214599 } }, { "source": "CID:44492894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659868", "properties": { "id": "SA-90471-SA-1459031 similarity", "source_label": "SA-90471", "target_label": "SA-1459031", "cosine_similarity": 0.420866459608078 } }, { "source": "CID:6851740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "ispinesib-CGP-71683 similarity", "source_label": "ispinesib", "target_label": "CGP-71683", "cosine_similarity": 0.6095355153083801 } }, { "source": "CID:2797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "clofibric-acid-saxagliptin similarity", "source_label": "clofibric-acid", "target_label": "saxagliptin", "cosine_similarity": 0.5226605534553528 } }, { "source": "CID:676352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085416", "properties": { "id": "DBeQ-ivermectin similarity", "source_label": "DBeQ", "target_label": "ivermectin", "cosine_similarity": 0.2444348931312561 } }, { "source": "CID:44494000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-243423-SA-1939126 similarity", "source_label": "SA-243423", "target_label": "SA-1939126", "cosine_similarity": 0.2802339494228363 } }, { "source": "CID:9935681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25019940", "properties": { "id": "firategrast-MK-3207 similarity", "source_label": "firategrast", "target_label": "MK-3207", "cosine_similarity": 0.304578423500061 } }, { "source": "CID:438981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "NSC-693868-iniparib similarity", "source_label": "NSC-693868", "target_label": "iniparib", "cosine_similarity": 0.353613406419754 } }, { "source": "CID:44601470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "KUC103893N-VU-0366968 similarity", "source_label": "KUC103893N", "target_label": "VU-0366968", "cosine_similarity": 0.2568063735961914 } }, { "source": "CID:656615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "potassium-canrenoate-cholic-acid similarity", "source_label": "potassium-canrenoate", "target_label": "cholic-acid", "cosine_similarity": 0.2955624759197235 } }, { "source": "CID:2564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167551", "properties": { "id": "carbinoxamine-anacardic-acid similarity", "source_label": "carbinoxamine", "target_label": "anacardic-acid", "cosine_similarity": 0.270711213350296 } }, { "source": "CID:107935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "deguelin-ZM-336372 similarity", "source_label": "deguelin", "target_label": "ZM-336372", "cosine_similarity": 0.4193145036697387 } }, { "source": "CID:9830392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "WAY-170523-VU-0410183-2 similarity", "source_label": "WAY-170523", "target_label": "VU-0410183-2", "cosine_similarity": 0.5777682065963745 } }, { "source": "CID:2858523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "CHEMBL-374350-CAY-10594 similarity", "source_label": "CHEMBL-374350", "target_label": "CAY-10594", "cosine_similarity": 0.6563282012939453 } }, { "source": "CID:1257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "quinpirole-PRIMA1 similarity", "source_label": "quinpirole", "target_label": "PRIMA1", "cosine_similarity": 0.2297080606222152 } }, { "source": "CID:44623845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "KU-C104226-thalidomide similarity", "source_label": "KU-C104226", "target_label": "thalidomide", "cosine_similarity": 0.2288275212049484 } }, { "source": "CID:2703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "chelerythrine-RAF-265 similarity", "source_label": "chelerythrine", "target_label": "RAF-265", "cosine_similarity": 0.3444619178771972 } }, { "source": "CID:105008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607591", "properties": { "id": "paxilline-KU-C104142 similarity", "source_label": "paxilline", "target_label": "KU-C104142", "cosine_similarity": 0.2950367629528045 } }, { "source": "CID:60160561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "EPZ-005687-SGI-1776 similarity", "source_label": "EPZ-005687", "target_label": "SGI-1776", "cosine_similarity": 0.2155775725841522 } }, { "source": "CID:3033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "diclofenac-2-iminobiotin similarity", "source_label": "diclofenac", "target_label": "2-iminobiotin", "cosine_similarity": 0.3821476995944977 } }, { "source": "CID:6803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "tioguanine-azacitidine similarity", "source_label": "tioguanine", "target_label": "azacitidine", "cosine_similarity": 0.3818764984607696 } }, { "source": "CID:5059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "REV-5901-ibutamoren similarity", "source_label": "REV-5901", "target_label": "ibutamoren", "cosine_similarity": 0.4332252442836761 } }, { "source": "CID:88129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65599", "properties": { "id": "valproxam-lomifylline similarity", "source_label": "valproxam", "target_label": "lomifylline", "cosine_similarity": 0.2236083447933197 } }, { "source": "CID:108001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "dihydroxyphenylglycine-L-ergothioneine similarity", "source_label": "dihydroxyphenylglycine", "target_label": "L-ergothioneine", "cosine_similarity": 0.3082773685455322 } }, { "source": "CID:100016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "zebularine-alda-1 similarity", "source_label": "zebularine", "target_label": "alda-1", "cosine_similarity": 0.5457796454429626 } }, { "source": "CID:27873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51360697", "properties": { "id": "erythrosine-KUC107191N similarity", "source_label": "erythrosine", "target_label": "KUC107191N", "cosine_similarity": 0.3561317324638366 } }, { "source": "CID:3559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "haloperidol-tandutinib similarity", "source_label": "haloperidol", "target_label": "tandutinib", "cosine_similarity": 0.4373467564582824 } }, { "source": "CID:5702041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2724385", "properties": { "id": "digitoxin-digoxin similarity", "source_label": "digitoxin", "target_label": "digoxin", "cosine_similarity": 0.930797278881073 } }, { "source": "CID:1049140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "ST-4042556-XAV-939 similarity", "source_label": "ST-4042556", "target_label": "XAV-939", "cosine_similarity": 0.3105131387710571 } }, { "source": "CID:10275777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2783", "properties": { "id": "betrixaban-clenbuterol similarity", "source_label": "betrixaban", "target_label": "clenbuterol", "cosine_similarity": 0.3947915136814117 } }, { "source": "CID:49849931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "CAM-9-026-PSH-024 similarity", "source_label": "CAM-9-026", "target_label": "PSH-024", "cosine_similarity": 0.2190696150064468 } }, { "source": "CID:3250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "ergometrine-MW-MITF9 similarity", "source_label": "ergometrine", "target_label": "MW-MITF9", "cosine_similarity": 0.325331836938858 } }, { "source": "CID:6442177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "everolimus-taselisib similarity", "source_label": "everolimus", "target_label": "taselisib", "cosine_similarity": 0.7596180438995361 } }, { "source": "CID:45100448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24113957", "properties": { "id": "ML-179-H-9 similarity", "source_label": "ML-179", "target_label": "H-9", "cosine_similarity": 0.3234305083751678 } }, { "source": "CID:4060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "mephenytoin-oleoylethanolamide similarity", "source_label": "mephenytoin", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2459990233182907 } }, { "source": "CID:5918561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4396344", "properties": { "id": "ST-024029-5'-guanidinonaltrindole similarity", "source_label": "ST-024029", "target_label": "5'-guanidinonaltrindole", "cosine_similarity": 0.2563053369522095 } }, { "source": "CID:3739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "adipiodone-PRIMA1 similarity", "source_label": "adipiodone", "target_label": "PRIMA1", "cosine_similarity": 0.2809633612632751 } }, { "source": "CID:54666595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "SA-1921085-BIBU-1361 similarity", "source_label": "SA-1921085", "target_label": "BIBU-1361", "cosine_similarity": 0.3696590662002563 } }, { "source": "CID:11494970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "trap-101-cefotaxime similarity", "source_label": "trap-101", "target_label": "cefotaxime", "cosine_similarity": 0.2536488473415375 } }, { "source": "CID:44483298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "methylprednisolone-dexamethasone similarity", "source_label": "methylprednisolone", "target_label": "dexamethasone", "cosine_similarity": 0.7751457691192627 } }, { "source": "CID:44593870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "KU-C103885-clopidogrel similarity", "source_label": "KU-C103885", "target_label": "clopidogrel", "cosine_similarity": 0.3290137946605682 } }, { "source": "CID:4486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362124", "properties": { "id": "nifekalant-benazepril similarity", "source_label": "nifekalant", "target_label": "benazepril", "cosine_similarity": 0.2365023791790008 } }, { "source": "CID:23947034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "I-070754-SMER-28 similarity", "source_label": "I-070754", "target_label": "SMER-28", "cosine_similarity": 0.2351143062114715 } }, { "source": "CID:53245473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "TUL-XXI039-methyl-fasudil similarity", "source_label": "TUL-XXI039", "target_label": "methyl-fasudil", "cosine_similarity": 0.485129714012146 } }, { "source": "CID:148184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "ampalex-taranabant similarity", "source_label": "ampalex", "target_label": "taranabant", "cosine_similarity": 0.5280758142471313 } }, { "source": "CID:4098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "methapyrilene-thalidomide similarity", "source_label": "methapyrilene", "target_label": "thalidomide", "cosine_similarity": 0.3085011839866638 } }, { "source": "CID:3038485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "AZD-6765-NNC-711 similarity", "source_label": "AZD-6765", "target_label": "NNC-711", "cosine_similarity": 0.2304128259420395 } }, { "source": "CID:6708532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82146", "properties": { "id": "methyl-angolensate-bexarotene similarity", "source_label": "methyl-angolensate", "target_label": "bexarotene", "cosine_similarity": 0.1622124761343002 } }, { "source": "CID:54669462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190539", "properties": { "id": "SA-1922796-SA-1939945 similarity", "source_label": "SA-1922796", "target_label": "SA-1939945", "cosine_similarity": 0.2718909084796905 } }, { "source": "CID:5353609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "erbstatin-analog-cerulenin similarity", "source_label": "erbstatin-analog", "target_label": "cerulenin", "cosine_similarity": 0.4069794416427612 } }, { "source": "CID:188914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5351542", "properties": { "id": "BD-1047-morphothebaine similarity", "source_label": "BD-1047", "target_label": "morphothebaine", "cosine_similarity": 0.3189090192317962 } }, { "source": "CID:10186367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "CT-7758-acrivastine similarity", "source_label": "CT-7758", "target_label": "acrivastine", "cosine_similarity": 0.3954339921474457 } }, { "source": "CID:53358942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "RG-7388-nutlin-3 similarity", "source_label": "RG-7388", "target_label": "nutlin-3", "cosine_similarity": 0.5140794515609741 } }, { "source": "CID:44505479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "SA-419010-SA-441412 similarity", "source_label": "SA-419010", "target_label": "SA-441412", "cosine_similarity": 0.3558462560176849 } }, { "source": "CID:10050129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "demeclocycline-amikacin similarity", "source_label": "demeclocycline", "target_label": "amikacin", "cosine_similarity": 0.3581061363220215 } }, { "source": "CID:54666593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667012", "properties": { "id": "SA-1920687-SA-1920327 similarity", "source_label": "SA-1920687", "target_label": "SA-1920327", "cosine_similarity": 0.4753763377666473 } }, { "source": "CID:72281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "hesperetin-MW-STK33-97 similarity", "source_label": "hesperetin", "target_label": "MW-STK33-97", "cosine_similarity": 0.2574815452098846 } }, { "source": "CID:1456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4565183", "properties": { "id": "ODQ-gangaleoidin similarity", "source_label": "ODQ", "target_label": "gangaleoidin", "cosine_similarity": 0.2168917953968048 } }, { "source": "CID:44640181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926350", "properties": { "id": "KU-C104495-dinaciclib similarity", "source_label": "KU-C104495", "target_label": "dinaciclib", "cosine_similarity": 0.4222148954868316 } }, { "source": "CID:60648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "tiagabine-cholic-acid similarity", "source_label": "tiagabine", "target_label": "cholic-acid", "cosine_similarity": 0.408658504486084 } }, { "source": "CID:445580", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "doconexent-pifithrin-mu similarity", "source_label": "doconexent", "target_label": "pifithrin-mu", "cosine_similarity": 0.5138417482376099 } }, { "source": "CID:52912189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "I-BET-151-BI-2536 similarity", "source_label": "I-BET-151", "target_label": "BI-2536", "cosine_similarity": 0.685887336730957 } }, { "source": "CID:129228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "rufinamide-adenosine similarity", "source_label": "rufinamide", "target_label": "adenosine", "cosine_similarity": 0.2664461135864258 } }, { "source": "CID:5335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2973", "properties": { "id": "sulfaphenazole-deferoxamine-mesylate similarity", "source_label": "sulfaphenazole", "target_label": "deferoxamine-mesylate", "cosine_similarity": 0.2152581214904785 } }, { "source": "CID:195165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "SR-95639A-MW-MITF22 similarity", "source_label": "SR-95639A", "target_label": "MW-MITF22", "cosine_similarity": 0.263386070728302 } }, { "source": "CID:2562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483393", "properties": { "id": "pentoxyverine-SA-85901 similarity", "source_label": "pentoxyverine", "target_label": "SA-85901", "cosine_similarity": 0.2955114841461181 } }, { "source": "CID:5335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "sulfaphenazole-cyclizine similarity", "source_label": "sulfaphenazole", "target_label": "cyclizine", "cosine_similarity": 0.2445832788944244 } }, { "source": "CID:2578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3950", "properties": { "id": "carmustine-lomustine similarity", "source_label": "carmustine", "target_label": "lomustine", "cosine_similarity": 0.3139721751213074 } }, { "source": "CID:9820766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "PD-160170-pifithrin-mu similarity", "source_label": "PD-160170", "target_label": "pifithrin-mu", "cosine_similarity": 0.4182972311973572 } }, { "source": "CID:10022508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10405323", "properties": { "id": "MDM2-inhibitor-WR-216174 similarity", "source_label": "MDM2-inhibitor", "target_label": "WR-216174", "cosine_similarity": 0.3426712453365326 } }, { "source": "CID:4236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "modafinil-pemetrexed similarity", "source_label": "modafinil", "target_label": "pemetrexed", "cosine_similarity": 0.4041931927204132 } }, { "source": "CID:4044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:761523", "properties": { "id": "mefenamic-acid-m-3M3FBS similarity", "source_label": "mefenamic-acid", "target_label": "m-3M3FBS", "cosine_similarity": 0.2549385130405426 } }, { "source": "CID:6610268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "berbamine-RS-17053 similarity", "source_label": "berbamine", "target_label": "RS-17053", "cosine_similarity": 0.5967189073562622 } }, { "source": "CID:44229302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "RAN-05-RS-17053 similarity", "source_label": "RAN-05", "target_label": "RS-17053", "cosine_similarity": 0.3730752766132355 } }, { "source": "CID:23789069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "nitrarine-SA-89763 similarity", "source_label": "nitrarine", "target_label": "SA-89763", "cosine_similarity": 0.3087159097194671 } }, { "source": "CID:3052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "diethylcarbamazine-GNF-2 similarity", "source_label": "diethylcarbamazine", "target_label": "GNF-2", "cosine_similarity": 0.404278814792633 } }, { "source": "CID:457928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54766", "properties": { "id": "bevirimat-dimeglumine-bambuterol similarity", "source_label": "bevirimat-dimeglumine", "target_label": "bambuterol", "cosine_similarity": 0.3394653499126434 } }, { "source": "CID:46191176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23777784", "properties": { "id": "aminoresveratrol-UGISS-186 similarity", "source_label": "aminoresveratrol", "target_label": "UGISS-186", "cosine_similarity": 0.263642281293869 } }, { "source": "CID:123618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6913176", "properties": { "id": "tecastemizole-NXY-059 similarity", "source_label": "tecastemizole", "target_label": "NXY-059", "cosine_similarity": 0.3572033941745758 } }, { "source": "CID:19001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135787369", "properties": { "id": "dithiothreitol-BG-1020 similarity", "source_label": "dithiothreitol", "target_label": "BG-1020", "cosine_similarity": 0.278452068567276 } }, { "source": "CID:129010068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "limonin-SA-417716 similarity", "source_label": "limonin", "target_label": "SA-417716", "cosine_similarity": 0.2632371187210083 } }, { "source": "CID:5284549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "dorzolamide-lorcaserin similarity", "source_label": "dorzolamide", "target_label": "lorcaserin", "cosine_similarity": 0.5591268539428711 } }, { "source": "CID:44629742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "KU-C104250-SA-441092 similarity", "source_label": "KU-C104250", "target_label": "SA-441092", "cosine_similarity": 0.2518598437309265 } }, { "source": "CID:3785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707550", "properties": { "id": "itdac-1-BG-1026 similarity", "source_label": "itdac-1", "target_label": "BG-1026", "cosine_similarity": 0.2826305329799652 } }, { "source": "CID:448991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "purvalanol-b-milnacipran similarity", "source_label": "purvalanol-b", "target_label": "milnacipran", "cosine_similarity": 0.2916570901870727 } }, { "source": "CID:44246499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "TEPP-46-darinaparsin similarity", "source_label": "TEPP-46", "target_label": "darinaparsin", "cosine_similarity": 0.3295378088951111 } }, { "source": "CID:3921152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "D-64131-ABT-751 similarity", "source_label": "D-64131", "target_label": "ABT-751", "cosine_similarity": 0.7948979735374451 } }, { "source": "CID:4967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "prothionamide-piperacillin similarity", "source_label": "prothionamide", "target_label": "piperacillin", "cosine_similarity": 0.3045152127742767 } }, { "source": "CID:54659991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484295", "properties": { "id": "SA-1456576-SA-90544 similarity", "source_label": "SA-1456576", "target_label": "SA-90544", "cosine_similarity": 0.2746931910514831 } }, { "source": "CID:702558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "RG-108-zebularine similarity", "source_label": "RG-108", "target_label": "zebularine", "cosine_similarity": 0.4496612846851349 } }, { "source": "CID:81423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4289", "properties": { "id": "aminoindazole-Ro-16-6941 similarity", "source_label": "aminoindazole", "target_label": "Ro-16-6941", "cosine_similarity": 0.2015862166881561 } }, { "source": "CID:1355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:87217390", "properties": { "id": "mCPP-SU-014813 similarity", "source_label": "mCPP", "target_label": "SU-014813", "cosine_similarity": 0.4657558500766754 } }, { "source": "CID:44618378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-424170-SA-103013 similarity", "source_label": "SA-424170", "target_label": "SA-103013", "cosine_similarity": 0.3565040826797485 } }, { "source": "CID:5320346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "hydrocortisone-clobetasol similarity", "source_label": "hydrocortisone", "target_label": "clobetasol", "cosine_similarity": 0.5820732712745667 } }, { "source": "CID:208953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "ZK-200775-flutrimazole similarity", "source_label": "ZK-200775", "target_label": "flutrimazole", "cosine_similarity": 0.3297665119171142 } }, { "source": "CID:4753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "phenacemide-phenyl-aminosalicylate similarity", "source_label": "phenacemide", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.4724060297012329 } }, { "source": "CID:31307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "triamcinolone-halcinonide similarity", "source_label": "triamcinolone", "target_label": "halcinonide", "cosine_similarity": 0.4782644212245941 } }, { "source": "CID:9795867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "LFM-A12-hemado similarity", "source_label": "LFM-A12", "target_label": "hemado", "cosine_similarity": 0.3128733038902282 } }, { "source": "CID:24996872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439285", "properties": { "id": "GSK-1292263-choline-alfoscerate similarity", "source_label": "GSK-1292263", "target_label": "choline-alfoscerate", "cosine_similarity": 0.2868488430976867 } }, { "source": "CID:16211224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "6-hydroxytropinone-tenofovir similarity", "source_label": "6-hydroxytropinone", "target_label": "tenofovir", "cosine_similarity": 0.3665793836116791 } }, { "source": "CID:11973736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "TG-100801-tasquinimod similarity", "source_label": "TG-100801", "target_label": "tasquinimod", "cosine_similarity": 0.4040379226207733 } }, { "source": "CID:25021165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "JZL-184-Gly-Gly-PALO similarity", "source_label": "JZL-184", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4796962738037109 } }, { "source": "CID:54658744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53382764", "properties": { "id": "SA-1455938-SA-1459213 similarity", "source_label": "SA-1455938", "target_label": "SA-1459213", "cosine_similarity": 0.4773198664188385 } }, { "source": "CID:23635314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445540", "properties": { "id": "KX-2391-ixabepilone similarity", "source_label": "KX-2391", "target_label": "ixabepilone", "cosine_similarity": 0.8416883945465088 } }, { "source": "CID:123767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "norketamine-KU-C104140 similarity", "source_label": "norketamine", "target_label": "KU-C104140", "cosine_similarity": 0.2768990397453308 } }, { "source": "CID:5717737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "SAL-003-azacitidine similarity", "source_label": "SAL-003", "target_label": "azacitidine", "cosine_similarity": 0.4495085477828979 } }, { "source": "CID:154059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "solifenacin-succinate-ibutamoren similarity", "source_label": "solifenacin-succinate", "target_label": "ibutamoren", "cosine_similarity": 0.2654111683368683 } }, { "source": "CID:9543540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BML-210-BG-1016 similarity", "source_label": "BML-210", "target_label": "BG-1016", "cosine_similarity": 0.6763204336166382 } }, { "source": "CID:135440466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "BMS-536924-PP-110 similarity", "source_label": "BMS-536924", "target_label": "PP-110", "cosine_similarity": 0.7370878458023071 } }, { "source": "CID:708857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92786", "properties": { "id": "pyrantel-pamoate-eltanolone similarity", "source_label": "pyrantel-pamoate", "target_label": "eltanolone", "cosine_similarity": 0.3086219131946563 } }, { "source": "CID:127951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "RS-45041-190-levosulpiride similarity", "source_label": "RS-45041-190", "target_label": "levosulpiride", "cosine_similarity": 0.2203346341848373 } }, { "source": "CID:5504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "tolazoline-thiazolopyrimidine similarity", "source_label": "tolazoline", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2756550908088684 } }, { "source": "CID:4855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2757788", "properties": { "id": "piromidic-acid-4-chlorophenylguanidine similarity", "source_label": "piromidic-acid", "target_label": "4-chlorophenylguanidine", "cosine_similarity": 0.2492647618055343 } }, { "source": "CID:11360391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16659841", "properties": { "id": "A-769662-AZD-1480 similarity", "source_label": "A-769662", "target_label": "AZD-1480", "cosine_similarity": 0.3664827942848205 } }, { "source": "CID:131682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23897", "properties": { "id": "safinamide-molindone similarity", "source_label": "safinamide", "target_label": "molindone", "cosine_similarity": 0.3485601842403412 } }, { "source": "CID:46843057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24788740", "properties": { "id": "GSK-2110183-GDC-0068 similarity", "source_label": "GSK-2110183", "target_label": "GDC-0068", "cosine_similarity": 0.3854220509529114 } }, { "source": "CID:10000456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760312", "properties": { "id": "RS-102895-inhibitor-BEC similarity", "source_label": "RS-102895", "target_label": "inhibitor-BEC", "cosine_similarity": 0.2529816627502441 } }, { "source": "CID:5488548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "alvimopan-cabergoline similarity", "source_label": "alvimopan", "target_label": "cabergoline", "cosine_similarity": 0.417352020740509 } }, { "source": "CID:4755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4485", "properties": { "id": "phenamil-nifedipine similarity", "source_label": "phenamil", "target_label": "nifedipine", "cosine_similarity": 0.278956264257431 } }, { "source": "CID:54654640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2457", "properties": { "id": "SA-1472514-BU-224 similarity", "source_label": "SA-1472514", "target_label": "BU-224", "cosine_similarity": 0.2322955280542373 } }, { "source": "CID:5403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "terbutaline-arbutin similarity", "source_label": "terbutaline", "target_label": "arbutin", "cosine_similarity": 0.3281108140945434 } }, { "source": "CID:6732844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760034", "properties": { "id": "ST-023431-bongkrek-acid similarity", "source_label": "ST-023431", "target_label": "bongkrek-acid", "cosine_similarity": 0.3720238208770752 } }, { "source": "CID:5467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "tiapride-ozagrel similarity", "source_label": "tiapride", "target_label": "ozagrel", "cosine_similarity": 0.4531871974468231 } }, { "source": "CID:16760692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "U-0124-dubinidine similarity", "source_label": "U-0124", "target_label": "dubinidine", "cosine_similarity": 0.4127222299575805 } }, { "source": "CID:5286239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "MW-MITF28-ASN-05257430 similarity", "source_label": "MW-MITF28", "target_label": "ASN-05257430", "cosine_similarity": 0.3890146613121032 } }, { "source": "CID:5314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5905", "properties": { "id": "succinylcholine-chloride-idoxuridine similarity", "source_label": "succinylcholine-chloride", "target_label": "idoxuridine", "cosine_similarity": 0.1610577553510666 } }, { "source": "CID:1794427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19728", "properties": { "id": "chlorogenic-acid-noscapine similarity", "source_label": "chlorogenic-acid", "target_label": "noscapine", "cosine_similarity": 0.1962608098983764 } }, { "source": "CID:6857685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "PIK-90-KU-0063794 similarity", "source_label": "PIK-90", "target_label": "KU-0063794", "cosine_similarity": 0.6765848398208618 } }, { "source": "CID:4369524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "tanaproget-TPCA-1 similarity", "source_label": "tanaproget", "target_label": "TPCA-1", "cosine_similarity": 0.3650276362895965 } }, { "source": "CID:19529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "diloxanide-prima-1-met similarity", "source_label": "diloxanide", "target_label": "prima-1-met", "cosine_similarity": 0.2223020792007446 } }, { "source": "CID:5288209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "fenretinide-AG-592 similarity", "source_label": "fenretinide", "target_label": "AG-592", "cosine_similarity": 0.5716277360916138 } }, { "source": "CID:5362119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "lisinopril-aclidinium similarity", "source_label": "lisinopril", "target_label": "aclidinium", "cosine_similarity": 0.4656579196453094 } }, { "source": "CID:21785456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "KU-C103869-AR-A014418 similarity", "source_label": "KU-C103869", "target_label": "AR-A014418", "cosine_similarity": 0.3360122144222259 } }, { "source": "CID:54669111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186945", "properties": { "id": "SA-1921614-SA-1938862 similarity", "source_label": "SA-1921614", "target_label": "SA-1938862", "cosine_similarity": 0.2416785806417465 } }, { "source": "CID:44507247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "SA-1017940-entinostat similarity", "source_label": "SA-1017940", "target_label": "entinostat", "cosine_similarity": 0.5326505899429321 } }, { "source": "CID:135976680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "BIX-02188-azacitidine similarity", "source_label": "BIX-02188", "target_label": "azacitidine", "cosine_similarity": 0.3618569374084472 } }, { "source": "CID:441328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658741", "properties": { "id": "7-aminocephalosporanic-acid-SA-1459187 similarity", "source_label": "7-aminocephalosporanic-acid", "target_label": "SA-1459187", "cosine_similarity": 0.1926618665456771 } }, { "source": "CID:2798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "clofilium-tyrphostin-A9 similarity", "source_label": "clofilium", "target_label": "tyrphostin-A9", "cosine_similarity": 0.4234783947467804 } }, { "source": "CID:4065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "meprylcaine-thiazolopyrimidine similarity", "source_label": "meprylcaine", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3320807516574859 } }, { "source": "CID:3932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "linopirdine-dorzolamide similarity", "source_label": "linopirdine", "target_label": "dorzolamide", "cosine_similarity": 0.3976548016071319 } }, { "source": "CID:323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "coumarin-BMS-641988 similarity", "source_label": "coumarin", "target_label": "BMS-641988", "cosine_similarity": 0.3244191110134125 } }, { "source": "CID:53359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "tolrestat-balicatib similarity", "source_label": "tolrestat", "target_label": "balicatib", "cosine_similarity": 0.2058428674936294 } }, { "source": "CID:197835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104845", "properties": { "id": "hydrastine-alfaxalone similarity", "source_label": "hydrastine", "target_label": "alfaxalone", "cosine_similarity": 0.3053841292858124 } }, { "source": "CID:23817956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "hydralazine-thiazolopyrimidine similarity", "source_label": "hydralazine", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2460023164749145 } }, { "source": "CID:8357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "eudesmic-acid-DMNB similarity", "source_label": "eudesmic-acid", "target_label": "DMNB", "cosine_similarity": 0.2861555516719818 } }, { "source": "CID:65937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "dexloxiglumide-L-ergothioneine similarity", "source_label": "dexloxiglumide", "target_label": "L-ergothioneine", "cosine_similarity": 0.7963123321533203 } }, { "source": "CID:2335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "benzethonium-CGP-71683 similarity", "source_label": "benzethonium", "target_label": "CGP-71683", "cosine_similarity": 0.6071887016296387 } }, { "source": "CID:93504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "levcromakalim-mecamylamine similarity", "source_label": "levcromakalim", "target_label": "mecamylamine", "cosine_similarity": 0.2875462174415588 } }, { "source": "CID:123662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6697", "properties": { "id": "beta-CCP-benzanthrone similarity", "source_label": "beta-CCP", "target_label": "benzanthrone", "cosine_similarity": 0.2487183511257171 } }, { "source": "CID:3446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362124", "properties": { "id": "gabapentin-benazepril similarity", "source_label": "gabapentin", "target_label": "benazepril", "cosine_similarity": 0.3029098510742187 } }, { "source": "CID:5497136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4308", "properties": { "id": "ceramide-NPC-15199 similarity", "source_label": "ceramide", "target_label": "NPC-15199", "cosine_similarity": 0.1960856914520263 } }, { "source": "CID:11771279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "MRS-3777-L-citrulline similarity", "source_label": "MRS-3777", "target_label": "L-citrulline", "cosine_similarity": 0.1940199881792068 } }, { "source": "CID:16722836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "TG-101348-BI-2536 similarity", "source_label": "TG-101348", "target_label": "BI-2536", "cosine_similarity": 0.6521301865577698 } }, { "source": "CID:72093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "otilonium-riociguat similarity", "source_label": "otilonium", "target_label": "riociguat", "cosine_similarity": 0.455240786075592 } }, { "source": "CID:2094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "allopurinol-PF-04457845 similarity", "source_label": "allopurinol", "target_label": "PF-04457845", "cosine_similarity": 0.3284879624843597 } }, { "source": "CID:5405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "terfenadine-CGP-71683 similarity", "source_label": "terfenadine", "target_label": "CGP-71683", "cosine_similarity": 0.7133023142814636 } }, { "source": "CID:16363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "benperidol-AR-A014418 similarity", "source_label": "benperidol", "target_label": "AR-A014418", "cosine_similarity": 0.2201342135667801 } }, { "source": "CID:132475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2995", "properties": { "id": "GBR-13069-desipramine similarity", "source_label": "GBR-13069", "target_label": "desipramine", "cosine_similarity": 0.4247061908245086 } }, { "source": "CID:180559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "esatenolol-furazolidone similarity", "source_label": "esatenolol", "target_label": "furazolidone", "cosine_similarity": 0.2469341605901718 } }, { "source": "CID:3936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "liranaftate-gimeracil similarity", "source_label": "liranaftate", "target_label": "gimeracil", "cosine_similarity": 0.4912367165088653 } }, { "source": "CID:57369718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "vecuronium-carbamazepine similarity", "source_label": "vecuronium", "target_label": "carbamazepine", "cosine_similarity": 0.3617635369300842 } }, { "source": "CID:62887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "atracurium-cefoperazone similarity", "source_label": "atracurium", "target_label": "cefoperazone", "cosine_similarity": 0.2745168805122375 } }, { "source": "CID:1833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3385", "properties": { "id": "5-methoxytryptamine-fluorouracil similarity", "source_label": "5-methoxytryptamine", "target_label": "fluorouracil", "cosine_similarity": 0.3119690120220184 } }, { "source": "CID:49836027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "torin-1-NVP-BEZ235 similarity", "source_label": "torin-1", "target_label": "NVP-BEZ235", "cosine_similarity": 0.8716692328453064 } }, { "source": "CID:96946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "lobelanidine-idelalisib similarity", "source_label": "lobelanidine", "target_label": "idelalisib", "cosine_similarity": 0.323196142911911 } }, { "source": "CID:5450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "thioperamide-alda-1 similarity", "source_label": "thioperamide", "target_label": "alda-1", "cosine_similarity": 0.3179546892642975 } }, { "source": "CID:44601475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "KUC103903N-pepstatin similarity", "source_label": "KUC103903N", "target_label": "pepstatin", "cosine_similarity": 0.3376460075378418 } }, { "source": "CID:16211224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "6-hydroxytropinone-herniarin similarity", "source_label": "6-hydroxytropinone", "target_label": "herniarin", "cosine_similarity": 0.3502895832061767 } }, { "source": "CID:3033825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1176", "properties": { "id": "levosimendan-urea similarity", "source_label": "levosimendan", "target_label": "urea", "cosine_similarity": 0.4327311813831329 } }, { "source": "CID:6918454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "PD-184352-selumetinib similarity", "source_label": "PD-184352", "target_label": "selumetinib", "cosine_similarity": 0.860030472278595 } }, { "source": "CID:2990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "dephostatin-herniarin similarity", "source_label": "dephostatin", "target_label": "herniarin", "cosine_similarity": 0.2923458516597748 } }, { "source": "CID:2948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "damnacanthal-diethylcarbamazine similarity", "source_label": "damnacanthal", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3107152283191681 } }, { "source": "CID:4054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "memantine-DAC-004 similarity", "source_label": "memantine", "target_label": "DAC-004", "cosine_similarity": 0.2484999299049377 } }, { "source": "CID:2369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "betaxolol-myricetin similarity", "source_label": "betaxolol", "target_label": "myricetin", "cosine_similarity": 0.3154877424240112 } }, { "source": "CID:54666597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-1920890-SA-1460008 similarity", "source_label": "SA-1920890", "target_label": "SA-1460008", "cosine_similarity": 0.2486721575260162 } }, { "source": "CID:322968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "PRIMA1-DL-TBOA similarity", "source_label": "PRIMA1", "target_label": "DL-TBOA", "cosine_similarity": 0.6631372570991516 } }, { "source": "CID:5493444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "aliskiren-felodipine similarity", "source_label": "aliskiren", "target_label": "felodipine", "cosine_similarity": 0.6362264156341553 } }, { "source": "CID:5281847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "rottlerin-cyclosporin-a similarity", "source_label": "rottlerin", "target_label": "cyclosporin-a", "cosine_similarity": 0.578664243221283 } }, { "source": "CID:10052040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11705608", "properties": { "id": "CP-945598-APD-668 similarity", "source_label": "CP-945598", "target_label": "APD-668", "cosine_similarity": 0.3447780013084411 } }, { "source": "CID:151172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "cariporide-ketorolac similarity", "source_label": "cariporide", "target_label": "ketorolac", "cosine_similarity": 0.3591220676898956 } }, { "source": "CID:37907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "climbazole-pritelivir similarity", "source_label": "climbazole", "target_label": "pritelivir", "cosine_similarity": 0.3887448608875274 } }, { "source": "CID:5281881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "flupentixol-T-98475 similarity", "source_label": "flupentixol", "target_label": "T-98475", "cosine_similarity": 0.5018556118011475 } }, { "source": "CID:135688221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135821878", "properties": { "id": "AT-CSC-07-BJM-CSC-15 similarity", "source_label": "AT-CSC-07", "target_label": "BJM-CSC-15", "cosine_similarity": 0.2586552500724792 } }, { "source": "CID:73707583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5450", "properties": { "id": "PD-149163-thioperamide similarity", "source_label": "PD-149163", "target_label": "thioperamide", "cosine_similarity": 0.1719775348901748 } }, { "source": "CID:3545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "C-1-gliclazide similarity", "source_label": "C-1", "target_label": "gliclazide", "cosine_similarity": 0.377808541059494 } }, { "source": "CID:5032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "racephedrine-amyleine similarity", "source_label": "racephedrine", "target_label": "amyleine", "cosine_similarity": 0.2785445749759674 } }, { "source": "CID:3948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "lomefloxacin-pridinol similarity", "source_label": "lomefloxacin", "target_label": "pridinol", "cosine_similarity": 0.4446853399276733 } }, { "source": "CID:4221587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "ST-4034902-DC-45-A2 similarity", "source_label": "ST-4034902", "target_label": "DC-45-A2", "cosine_similarity": 0.2304883003234863 } }, { "source": "CID:51081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "pefloxacin-cefoxitin similarity", "source_label": "pefloxacin", "target_label": "cefoxitin", "cosine_similarity": 0.2430945783853531 } }, { "source": "CID:414684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "ephedrine-dalcetrapib similarity", "source_label": "ephedrine", "target_label": "dalcetrapib", "cosine_similarity": 0.2478602230548858 } }, { "source": "CID:129010051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747213", "properties": { "id": "dioscin-PSH-008 similarity", "source_label": "dioscin", "target_label": "PSH-008", "cosine_similarity": 0.2129098027944564 } }, { "source": "CID:5225086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42623900", "properties": { "id": "ingenol-QS-11 similarity", "source_label": "ingenol", "target_label": "QS-11", "cosine_similarity": 0.6169326305389404 } }, { "source": "CID:6160690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328807", "properties": { "id": "GR-46611-tyrphostin-51 similarity", "source_label": "GR-46611", "target_label": "tyrphostin-51", "cosine_similarity": 0.2055329382419586 } }, { "source": "CID:46869952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "VU-0404997-2-CAY-10618 similarity", "source_label": "VU-0404997-2", "target_label": "CAY-10618", "cosine_similarity": 0.3133586049079895 } }, { "source": "CID:4520732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220051", "properties": { "id": "BU-239-tunicamycin similarity", "source_label": "BU-239", "target_label": "tunicamycin", "cosine_similarity": 0.5414099097251892 } }, { "source": "CID:54657741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658844", "properties": { "id": "SA-1456039-SA-1457992 similarity", "source_label": "SA-1456039", "target_label": "SA-1457992", "cosine_similarity": 0.2677794396877289 } }, { "source": "CID:5281004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "budesonide-methylprednisolone similarity", "source_label": "budesonide", "target_label": "methylprednisolone", "cosine_similarity": 0.538027822971344 } }, { "source": "CID:27447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "cephalexin-amikacin similarity", "source_label": "cephalexin", "target_label": "amikacin", "cosine_similarity": 0.2677827775478363 } }, { "source": "CID:10668211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133633", "properties": { "id": "R-96544-L-741626 similarity", "source_label": "R-96544", "target_label": "L-741626", "cosine_similarity": 0.4370611906051636 } }, { "source": "CID:2717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "chlormezanone-linsidomine similarity", "source_label": "chlormezanone", "target_label": "linsidomine", "cosine_similarity": 0.3640489280223846 } }, { "source": "CID:9855081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "cyclosporin-a-SKI-II similarity", "source_label": "cyclosporin-a", "target_label": "SKI-II", "cosine_similarity": 0.6801477074623108 } }, { "source": "CID:4601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "orphenadrine-enzalutamide similarity", "source_label": "orphenadrine", "target_label": "enzalutamide", "cosine_similarity": 0.4147451519966125 } }, { "source": "CID:9830191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10096344", "properties": { "id": "tipranavir-linagliptin similarity", "source_label": "tipranavir", "target_label": "linagliptin", "cosine_similarity": 0.3650072515010834 } }, { "source": "CID:5282443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "triprolidine-gossypin similarity", "source_label": "triprolidine", "target_label": "gossypin", "cosine_similarity": 0.3557401597499847 } }, { "source": "CID:10172943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3000022", "properties": { "id": "A-443654-MW-STK33-23 similarity", "source_label": "A-443654", "target_label": "MW-STK33-23", "cosine_similarity": 0.3460742235183716 } }, { "source": "CID:2733768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "taurodeoxycholic-acid-rolipram similarity", "source_label": "taurodeoxycholic-acid", "target_label": "rolipram", "cosine_similarity": 0.2929827272891998 } }, { "source": "CID:3456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "GBR-12935-DAC-013 similarity", "source_label": "GBR-12935", "target_label": "DAC-013", "cosine_similarity": 0.2165939062833786 } }, { "source": "CID:72326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760141", "properties": { "id": "NSC-4644-moxidectin similarity", "source_label": "NSC-4644", "target_label": "moxidectin", "cosine_similarity": 0.346403956413269 } }, { "source": "CID:115368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "perospirone-glutamine similarity", "source_label": "perospirone", "target_label": "glutamine", "cosine_similarity": 0.2278042584657669 } }, { "source": "CID:56949517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "GSK-2636771-dorzolamide similarity", "source_label": "GSK-2636771", "target_label": "dorzolamide", "cosine_similarity": 0.4658309519290924 } }, { "source": "CID:9867812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "remimazolam-sarcosine similarity", "source_label": "remimazolam", "target_label": "sarcosine", "cosine_similarity": 0.1870328783988952 } }, { "source": "CID:24113957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45100448", "properties": { "id": "H-9-ML-179 similarity", "source_label": "H-9", "target_label": "ML-179", "cosine_similarity": 0.3234305083751678 } }, { "source": "CID:5280489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "beta-carotene-NSC-95397 similarity", "source_label": "beta-carotene", "target_label": "NSC-95397", "cosine_similarity": 0.2705892324447632 } }, { "source": "CID:6604933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "WAY-629-EMF-sumo1-6 similarity", "source_label": "WAY-629", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2623257040977478 } }, { "source": "CID:44602374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "KU-C104122-pifithrin-mu similarity", "source_label": "KU-C104122", "target_label": "pifithrin-mu", "cosine_similarity": 0.2693831026554107 } }, { "source": "CID:134117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "BP-554-idelalisib similarity", "source_label": "BP-554", "target_label": "idelalisib", "cosine_similarity": 0.3024616241455078 } }, { "source": "CID:720272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ST-012015-Gossypetin similarity", "source_label": "ST-012015", "target_label": "Gossypetin", "cosine_similarity": 0.3441598117351532 } }, { "source": "CID:44629987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "brivudine-mirtazapine similarity", "source_label": "brivudine", "target_label": "mirtazapine", "cosine_similarity": 0.4313744008541107 } }, { "source": "CID:24747230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "UTMB-00042-quinethazone similarity", "source_label": "UTMB-00042", "target_label": "quinethazone", "cosine_similarity": 0.2064040452241897 } }, { "source": "CID:3397945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "hydrastinine-FTI-276 similarity", "source_label": "hydrastinine", "target_label": "FTI-276", "cosine_similarity": 0.2987833023071289 } }, { "source": "CID:2474", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "bupivacaine-JNJ-38877605 similarity", "source_label": "bupivacaine", "target_label": "JNJ-38877605", "cosine_similarity": 0.3920266628265381 } }, { "source": "CID:139032007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "avermectin-I-505056 similarity", "source_label": "avermectin", "target_label": "I-505056", "cosine_similarity": 0.5134145617485046 } }, { "source": "CID:2772764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "VU-0011562-bicalutamide similarity", "source_label": "VU-0011562", "target_label": "bicalutamide", "cosine_similarity": 0.2061108499765396 } }, { "source": "CID:1258678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ST-014075-gossypin similarity", "source_label": "ST-014075", "target_label": "gossypin", "cosine_similarity": 0.3378825783729553 } }, { "source": "CID:442894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "desoxypeganine-imiquimod similarity", "source_label": "desoxypeganine", "target_label": "imiquimod", "cosine_similarity": 0.4121369421482086 } }, { "source": "CID:2122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "altizide-Gossypetin similarity", "source_label": "altizide", "target_label": "Gossypetin", "cosine_similarity": 0.2382683008909225 } }, { "source": "CID:54658741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4308", "properties": { "id": "SA-1459187-NPC-15199 similarity", "source_label": "SA-1459187", "target_label": "NPC-15199", "cosine_similarity": 0.2565507590770721 } }, { "source": "CID:107970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "fingolimod-SR-33805 similarity", "source_label": "fingolimod", "target_label": "SR-33805", "cosine_similarity": 0.303197979927063 } }, { "source": "CID:6918878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "Merck60-SB-939 similarity", "source_label": "Merck60", "target_label": "SB-939", "cosine_similarity": 0.440774530172348 } }, { "source": "CID:122070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "L-655240-LY-215490 similarity", "source_label": "L-655240", "target_label": "LY-215490", "cosine_similarity": 0.4515157043933868 } }, { "source": "CID:3289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280569", "properties": { "id": "ethoprop-daphnetin similarity", "source_label": "ethoprop", "target_label": "daphnetin", "cosine_similarity": 0.2881264686584472 } }, { "source": "CID:688798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "ST-059620-DAC-013 similarity", "source_label": "ST-059620", "target_label": "DAC-013", "cosine_similarity": 0.5496647357940674 } }, { "source": "CID:128919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "xaliproden-lacosamide similarity", "source_label": "xaliproden", "target_label": "lacosamide", "cosine_similarity": 0.3162630498409271 } }, { "source": "CID:135565082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "talazoparib-cladribine similarity", "source_label": "talazoparib", "target_label": "cladribine", "cosine_similarity": 0.5347644686698914 } }, { "source": "CID:135882970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "BG-1019-BG-1023 similarity", "source_label": "BG-1019", "target_label": "BG-1023", "cosine_similarity": 0.2559520006179809 } }, { "source": "CID:1103147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "YM-90709-SA-792709 similarity", "source_label": "YM-90709", "target_label": "SA-792709", "cosine_similarity": 0.2321633845567703 } }, { "source": "CID:4767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "phenothrin-ajmaline similarity", "source_label": "phenothrin", "target_label": "ajmaline", "cosine_similarity": 0.4883178472518921 } }, { "source": "CID:444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "bupropion-acifran similarity", "source_label": "bupropion", "target_label": "acifran", "cosine_similarity": 0.4228045344352722 } }, { "source": "CID:54659344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659868", "properties": { "id": "SA-1457415-SA-1459031 similarity", "source_label": "SA-1457415", "target_label": "SA-1459031", "cosine_similarity": 0.4330760836601257 } }, { "source": "CID:45006157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "altrenogest-cisapride similarity", "source_label": "altrenogest", "target_label": "cisapride", "cosine_similarity": 0.2943510711193084 } }, { "source": "CID:54669151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190539", "properties": { "id": "SA-1921783-SA-1939945 similarity", "source_label": "SA-1921783", "target_label": "SA-1939945", "cosine_similarity": 0.2544435858726501 } }, { "source": "CID:24747213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869952", "properties": { "id": "PSH-008-VU-0404997-2 similarity", "source_label": "PSH-008", "target_label": "VU-0404997-2", "cosine_similarity": 0.2815533578395843 } }, { "source": "CID:44473128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "KU-C103672-enrofloxacin similarity", "source_label": "KU-C103672", "target_label": "enrofloxacin", "cosine_similarity": 0.286998301744461 } }, { "source": "CID:24964624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "MK-2206-trifluoperazine similarity", "source_label": "MK-2206", "target_label": "trifluoperazine", "cosine_similarity": 0.5430646538734436 } }, { "source": "CID:44907115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3386", "properties": { "id": "VU-0413238-1-fluoxetine similarity", "source_label": "VU-0413238-1", "target_label": "fluoxetine", "cosine_similarity": 0.2596599161624908 } }, { "source": "CID:11647372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "ZSTK-474-KU-0063794 similarity", "source_label": "ZSTK-474", "target_label": "KU-0063794", "cosine_similarity": 0.758676290512085 } }, { "source": "CID:6453092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "isorotenone-KU-C104486 similarity", "source_label": "isorotenone", "target_label": "KU-C104486", "cosine_similarity": 0.3262701034545898 } }, { "source": "CID:46742340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "VU-0418934-2-VU-0418947-2 similarity", "source_label": "VU-0418934-2", "target_label": "VU-0418947-2", "cosine_similarity": 0.873940646648407 } }, { "source": "CID:73707482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2663", "properties": { "id": "vancomycin-celiprolol similarity", "source_label": "vancomycin", "target_label": "celiprolol", "cosine_similarity": 0.1964947283267974 } }, { "source": "CID:21678144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "DPO-1-CFM-2 similarity", "source_label": "DPO-1", "target_label": "CFM-2", "cosine_similarity": 0.1841451078653335 } }, { "source": "CID:45375809", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "PSI-7976-picolinic-acid similarity", "source_label": "PSI-7976", "target_label": "picolinic-acid", "cosine_similarity": 0.3492199182510376 } }, { "source": "CID:57364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5081", "properties": { "id": "carmoxirole-Ro-15-4513 similarity", "source_label": "carmoxirole", "target_label": "Ro-15-4513", "cosine_similarity": 0.2976978719234466 } }, { "source": "CID:439285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26248", "properties": { "id": "choline-alfoscerate-diacerein similarity", "source_label": "choline-alfoscerate", "target_label": "diacerein", "cosine_similarity": 0.3228093981742859 } }, { "source": "CID:51039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "cefaclor-sildenafil similarity", "source_label": "cefaclor", "target_label": "sildenafil", "cosine_similarity": 0.2889133989810943 } }, { "source": "CID:71616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "voriconazole-nafamostat similarity", "source_label": "voriconazole", "target_label": "nafamostat", "cosine_similarity": 0.4229700863361358 } }, { "source": "CID:135470813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "MW-STK33-2C-MW-STK33-4C similarity", "source_label": "MW-STK33-2C", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2693557143211365 } }, { "source": "CID:72376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2900", "properties": { "id": "narciclasine-cycloheximide similarity", "source_label": "narciclasine", "target_label": "cycloheximide", "cosine_similarity": 0.7790869474411011 } }, { "source": "CID:54657716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "SA-1457472-dienestrol similarity", "source_label": "SA-1457472", "target_label": "dienestrol", "cosine_similarity": 0.380358338356018 } }, { "source": "CID:2948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1403142", "properties": { "id": "damnacanthal-biochanin-a similarity", "source_label": "damnacanthal", "target_label": "biochanin-a", "cosine_similarity": 0.297148048877716 } }, { "source": "CID:45489406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "VU-0415535-1-rolipram similarity", "source_label": "VU-0415535-1", "target_label": "rolipram", "cosine_similarity": 0.2379632592201233 } }, { "source": "CID:441853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "cymarin-cinobufagin similarity", "source_label": "cymarin", "target_label": "cinobufagin", "cosine_similarity": 0.8370773196220398 } }, { "source": "CID:23947034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691868", "properties": { "id": "I-070754-ST-4029010 similarity", "source_label": "I-070754", "target_label": "ST-4029010", "cosine_similarity": 0.2464028149843216 } }, { "source": "CID:5362124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3902", "properties": { "id": "benazepril-letrozole similarity", "source_label": "benazepril", "target_label": "letrozole", "cosine_similarity": 0.3896036744117737 } }, { "source": "CID:460612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "melphalan-idarubicin similarity", "source_label": "melphalan", "target_label": "idarubicin", "cosine_similarity": 0.4036212265491485 } }, { "source": "CID:6604763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234049", "properties": { "id": "ICI-192605-tedizolid similarity", "source_label": "ICI-192605", "target_label": "tedizolid", "cosine_similarity": 0.3340859115123749 } }, { "source": "CID:71317162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "GSK-1059615-KU-0063794 similarity", "source_label": "GSK-1059615", "target_label": "KU-0063794", "cosine_similarity": 0.7508101463317871 } }, { "source": "CID:10297043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11719003", "properties": { "id": "AEE-788-BVD-523 similarity", "source_label": "AEE-788", "target_label": "BVD-523", "cosine_similarity": 0.287504494190216 } }, { "source": "CID:4417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4828", "properties": { "id": "naftidrofuryl-pindolol similarity", "source_label": "naftidrofuryl", "target_label": "pindolol", "cosine_similarity": 0.4492594599723816 } }, { "source": "CID:3397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "flutamide-T-5345967 similarity", "source_label": "flutamide", "target_label": "T-5345967", "cosine_similarity": 0.4405430257320404 } }, { "source": "CID:54657689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "SA-1973507-CGP-71683 similarity", "source_label": "SA-1973507", "target_label": "CGP-71683", "cosine_similarity": 0.6245987415313721 } }, { "source": "CID:46843057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "GSK-2110183-taselisib similarity", "source_label": "GSK-2110183", "target_label": "taselisib", "cosine_similarity": 0.4268988966941833 } }, { "source": "CID:4031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "mebeverine-sertraline similarity", "source_label": "mebeverine", "target_label": "sertraline", "cosine_similarity": 0.316588431596756 } }, { "source": "CID:5282443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "triprolidine-7-nitroindazole similarity", "source_label": "triprolidine", "target_label": "7-nitroindazole", "cosine_similarity": 0.3491145074367523 } }, { "source": "CID:4694339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "UB-165-tetrahydrouridine similarity", "source_label": "UB-165", "target_label": "tetrahydrouridine", "cosine_similarity": 0.5814333558082581 } }, { "source": "CID:3797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46940575", "properties": { "id": "ZM-39923-GDC-0152 similarity", "source_label": "ZM-39923", "target_label": "GDC-0152", "cosine_similarity": 0.2798330783843994 } }, { "source": "CID:3185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "E-4031-meclofenamic-acid similarity", "source_label": "E-4031", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3652221858501434 } }, { "source": "CID:6604858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123686", "properties": { "id": "SB-218795-ICI-89406 similarity", "source_label": "SB-218795", "target_label": "ICI-89406", "cosine_similarity": 0.2490099370479583 } }, { "source": "CID:6439848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5720188", "properties": { "id": "eicosadienoic-acid-BH3I-1 similarity", "source_label": "eicosadienoic-acid", "target_label": "BH3I-1", "cosine_similarity": 0.2206530570983886 } }, { "source": "CID:45006157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29985980", "properties": { "id": "altrenogest-norgestrel similarity", "source_label": "altrenogest", "target_label": "norgestrel", "cosine_similarity": 0.2802216410636902 } }, { "source": "CID:128018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548953", "properties": { "id": "GR-55562-clomifene similarity", "source_label": "GR-55562", "target_label": "clomifene", "cosine_similarity": 0.3758973777294159 } }, { "source": "CID:4832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3658", "properties": { "id": "pipenzolate-hydroxyzine similarity", "source_label": "pipenzolate", "target_label": "hydroxyzine", "cosine_similarity": 0.5351241827011108 } }, { "source": "CID:40632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "pirfenidone-actarit similarity", "source_label": "pirfenidone", "target_label": "actarit", "cosine_similarity": 0.4821965396404266 } }, { "source": "CID:119031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11001318", "properties": { "id": "marimastat-tafamidis-meglumine similarity", "source_label": "marimastat", "target_label": "tafamidis-meglumine", "cosine_similarity": 0.3147880434989929 } }, { "source": "CID:5126051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "CPCCOEt-cytosporone-b similarity", "source_label": "CPCCOEt", "target_label": "cytosporone-b", "cosine_similarity": 0.2562686800956726 } }, { "source": "CID:3277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5310993", "properties": { "id": "etazolate-acipimox similarity", "source_label": "etazolate", "target_label": "acipimox", "cosine_similarity": 0.2901973128318786 } }, { "source": "CID:1720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "CS-1657-darinaparsin similarity", "source_label": "CS-1657", "target_label": "darinaparsin", "cosine_similarity": 0.2975110411643982 } }, { "source": "CID:5368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "T-0156-CV-1808 similarity", "source_label": "T-0156", "target_label": "CV-1808", "cosine_similarity": 0.519744336605072 } }, { "source": "CID:3759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "isocarboxazid-gatifloxacin similarity", "source_label": "isocarboxazid", "target_label": "gatifloxacin", "cosine_similarity": 0.2417788356542587 } }, { "source": "CID:5339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "sulfasalazine-orciprenaline similarity", "source_label": "sulfasalazine", "target_label": "orciprenaline", "cosine_similarity": 0.3157203495502472 } }, { "source": "CID:9874838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "T-98475-BIBU-1361 similarity", "source_label": "T-98475", "target_label": "BIBU-1361", "cosine_similarity": 0.6428083777427673 } }, { "source": "CID:168868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "methyllidocaine-AR-C133057XX similarity", "source_label": "methyllidocaine", "target_label": "AR-C133057XX", "cosine_similarity": 0.2562451958656311 } }, { "source": "CID:71360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:193949", "properties": { "id": "iloperidone-SDZ-21009 similarity", "source_label": "iloperidone", "target_label": "SDZ-21009", "cosine_similarity": 0.341979444026947 } }, { "source": "CID:25062766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "CYT-387-AZD-5438 similarity", "source_label": "CYT-387", "target_label": "AZD-5438", "cosine_similarity": 0.4192117750644684 } }, { "source": "CID:4171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151075", "properties": { "id": "metoprolol-nepafenac similarity", "source_label": "metoprolol", "target_label": "nepafenac", "cosine_similarity": 0.4031126201152801 } }, { "source": "CID:73707519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448991", "properties": { "id": "chlortetracycline-purvalanol-b similarity", "source_label": "chlortetracycline", "target_label": "purvalanol-b", "cosine_similarity": 0.219747394323349 } }, { "source": "CID:15459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:861", "properties": { "id": "metaxalone-rathyronine similarity", "source_label": "metaxalone", "target_label": "rathyronine", "cosine_similarity": 0.2597495317459106 } }, { "source": "CID:44489343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659352", "properties": { "id": "SA-425929-SA-1455884 similarity", "source_label": "SA-425929", "target_label": "SA-1455884", "cosine_similarity": 0.2641908526420593 } }, { "source": "CID:775191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "DAC-012-DAC-004 similarity", "source_label": "DAC-012", "target_label": "DAC-004", "cosine_similarity": 0.6793280243873596 } }, { "source": "CID:73707378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "triacsin-c-pifithrin-mu similarity", "source_label": "triacsin-c", "target_label": "pifithrin-mu", "cosine_similarity": 0.4238417148590088 } }, { "source": "CID:5392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680398", "properties": { "id": "temefos-MW-SHH-97 similarity", "source_label": "temefos", "target_label": "MW-SHH-97", "cosine_similarity": 0.2268370985984802 } }, { "source": "CID:44511091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2732", "properties": { "id": "formestane-chlortalidone similarity", "source_label": "formestane", "target_label": "chlortalidone", "cosine_similarity": 0.3168279528617859 } }, { "source": "CID:10660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47965", "properties": { "id": "dimenhydrinate-cefadroxil similarity", "source_label": "dimenhydrinate", "target_label": "cefadroxil", "cosine_similarity": 0.1914354711771011 } }, { "source": "CID:70680405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "MW-SHH-151-pregnenolone similarity", "source_label": "MW-SHH-151", "target_label": "pregnenolone", "cosine_similarity": 0.2686984837055206 } }, { "source": "CID:46220502", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "LY-2835219-AZD-5438 similarity", "source_label": "LY-2835219", "target_label": "AZD-5438", "cosine_similarity": 0.6361256837844849 } }, { "source": "CID:235382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "SIB-1893-SN-38 similarity", "source_label": "SIB-1893", "target_label": "SN-38", "cosine_similarity": 0.5719187259674072 } }, { "source": "CID:11984561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "TH-302-castanospermine similarity", "source_label": "TH-302", "target_label": "castanospermine", "cosine_similarity": 0.4205250442028045 } }, { "source": "CID:2762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "cinoxacin-berberine similarity", "source_label": "cinoxacin", "target_label": "berberine", "cosine_similarity": 0.5369767546653748 } }, { "source": "CID:3913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "tetramisole-DAC-012 similarity", "source_label": "tetramisole", "target_label": "DAC-012", "cosine_similarity": 0.28659388422966 } }, { "source": "CID:53025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061509", "properties": { "id": "cefotetan-bavisant similarity", "source_label": "cefotetan", "target_label": "bavisant", "cosine_similarity": 0.2845199406147003 } }, { "source": "CID:2871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "coumophos-chlorpyrifos similarity", "source_label": "coumophos", "target_label": "chlorpyrifos", "cosine_similarity": 0.2979373931884765 } }, { "source": "CID:64139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "efavirenz-reboxetine similarity", "source_label": "efavirenz", "target_label": "reboxetine", "cosine_similarity": 0.5083704590797424 } }, { "source": "CID:16793302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "BG-1016-BG-1024 similarity", "source_label": "BG-1016", "target_label": "BG-1024", "cosine_similarity": 0.6143050193786621 } }, { "source": "CID:2955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "dapsone-meclizine similarity", "source_label": "dapsone", "target_label": "meclizine", "cosine_similarity": 0.3867140114307403 } }, { "source": "CID:5281078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148121", "properties": { "id": "mycophenolate-mofetil-pralatrexate similarity", "source_label": "mycophenolate-mofetil", "target_label": "pralatrexate", "cosine_similarity": 0.5174247026443481 } }, { "source": "CID:54657733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-1459002-SA-1925610 similarity", "source_label": "SA-1459002", "target_label": "SA-1925610", "cosine_similarity": 0.1905991286039352 } }, { "source": "CID:81423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "aminoindazole-PSH-028 similarity", "source_label": "aminoindazole", "target_label": "PSH-028", "cosine_similarity": 0.2049047648906707 } }, { "source": "CID:6918453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "auranofin-NSC-632839 similarity", "source_label": "auranofin", "target_label": "NSC-632839", "cosine_similarity": 0.6287051439285278 } }, { "source": "CID:54687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "pravastatin-gemifloxacin similarity", "source_label": "pravastatin", "target_label": "gemifloxacin", "cosine_similarity": 0.4045486748218536 } }, { "source": "CID:3334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "fenbendazole-parbendazole similarity", "source_label": "fenbendazole", "target_label": "parbendazole", "cosine_similarity": 0.6286150217056274 } }, { "source": "CID:156314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "dipropyl-5ct-RK-682 similarity", "source_label": "dipropyl-5ct", "target_label": "RK-682", "cosine_similarity": 0.284883052110672 } }, { "source": "CID:5311493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "U-46619-AR-A014418 similarity", "source_label": "U-46619", "target_label": "AR-A014418", "cosine_similarity": 0.2727073729038238 } }, { "source": "CID:3600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24864821", "properties": { "id": "miltefosine-AMG-208 similarity", "source_label": "miltefosine", "target_label": "AMG-208", "cosine_similarity": 0.310732901096344 } }, { "source": "CID:148124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445540", "properties": { "id": "docetaxel-ixabepilone similarity", "source_label": "docetaxel", "target_label": "ixabepilone", "cosine_similarity": 0.834725022315979 } }, { "source": "CID:7108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "phenothiazine-FTI-276 similarity", "source_label": "phenothiazine", "target_label": "FTI-276", "cosine_similarity": 0.5423873066902161 } }, { "source": "CID:2405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "bisoprolol-repaglinide similarity", "source_label": "bisoprolol", "target_label": "repaglinide", "cosine_similarity": 0.3688152432441711 } }, { "source": "CID:28871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2471", "properties": { "id": "fentiazac-bumetanide similarity", "source_label": "fentiazac", "target_label": "bumetanide", "cosine_similarity": 0.2804430425167084 } }, { "source": "CID:134778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "ICI-162846-SB-683698 similarity", "source_label": "ICI-162846", "target_label": "SB-683698", "cosine_similarity": 0.5726817846298218 } }, { "source": "CID:443007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "fillalbin-carbamazepine similarity", "source_label": "fillalbin", "target_label": "carbamazepine", "cosine_similarity": 0.3431433439254761 } }, { "source": "CID:6103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "zoxazolamine-phenoxazine similarity", "source_label": "zoxazolamine", "target_label": "phenoxazine", "cosine_similarity": 0.2083094418048858 } }, { "source": "CID:9051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "dydrogesterone-T-5345967 similarity", "source_label": "dydrogesterone", "target_label": "T-5345967", "cosine_similarity": 0.2839965522289276 } }, { "source": "CID:5042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3938007", "properties": { "id": "rebamipide-ZD-7288 similarity", "source_label": "rebamipide", "target_label": "ZD-7288", "cosine_similarity": 0.4692842066287994 } }, { "source": "CID:16124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3721046", "properties": { "id": "medronic-acid-CNQX similarity", "source_label": "medronic-acid", "target_label": "CNQX", "cosine_similarity": 0.1655274629592895 } }, { "source": "CID:9571107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "gemifloxacin-efavirenz similarity", "source_label": "gemifloxacin", "target_label": "efavirenz", "cosine_similarity": 0.4661030769348144 } }, { "source": "CID:6602440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "dehydrocholate-phenothiazine similarity", "source_label": "dehydrocholate", "target_label": "phenothiazine", "cosine_similarity": 0.2734657824039459 } }, { "source": "CID:16760034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "bongkrek-acid-L-ergothioneine similarity", "source_label": "bongkrek-acid", "target_label": "L-ergothioneine", "cosine_similarity": 0.3956510126590729 } }, { "source": "CID:4887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9934", "properties": { "id": "pranlukast-timonacic similarity", "source_label": "pranlukast", "target_label": "timonacic", "cosine_similarity": 0.2154830992221832 } }, { "source": "CID:65856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "reboxetine-gemifloxacin similarity", "source_label": "reboxetine", "target_label": "gemifloxacin", "cosine_similarity": 0.4951149523258209 } }, { "source": "CID:11434515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "aclidinium-chlorpropamide similarity", "source_label": "aclidinium", "target_label": "chlorpropamide", "cosine_similarity": 0.468027114868164 } }, { "source": "CID:4116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104858", "properties": { "id": "methoxyflurane-S-nitrosoglutathione similarity", "source_label": "methoxyflurane", "target_label": "S-nitrosoglutathione", "cosine_similarity": 0.2768207788467407 } }, { "source": "CID:44907115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44907120", "properties": { "id": "VU-0413238-1-VU-0413243-1 similarity", "source_label": "VU-0413238-1", "target_label": "VU-0413243-1", "cosine_similarity": 0.2899823486804962 } }, { "source": "CID:9886086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "Ro-28-1675-dabrafenib similarity", "source_label": "Ro-28-1675", "target_label": "dabrafenib", "cosine_similarity": 0.5494268536567688 } }, { "source": "CID:2787", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17754438", "properties": { "id": "clinofibrate-PF-04217903 similarity", "source_label": "clinofibrate", "target_label": "PF-04217903", "cosine_similarity": 0.2583333551883697 } }, { "source": "CID:412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "nornicotine-gliclazide similarity", "source_label": "nornicotine", "target_label": "gliclazide", "cosine_similarity": 0.3829883933067322 } }, { "source": "CID:5288209", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "fenretinide-EMF-sumo1-11 similarity", "source_label": "fenretinide", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.57231205701828 } }, { "source": "CID:187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "acetylcholine-MW-MITF9 similarity", "source_label": "acetylcholine", "target_label": "MW-MITF9", "cosine_similarity": 0.2360468953847885 } }, { "source": "CID:4284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "diethyltoluamide-FTI-276 similarity", "source_label": "diethyltoluamide", "target_label": "FTI-276", "cosine_similarity": 0.2698703110218048 } }, { "source": "CID:3077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "dimaprit-T-0156 similarity", "source_label": "dimaprit", "target_label": "T-0156", "cosine_similarity": 0.2330399304628372 } }, { "source": "CID:6918554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65781", "properties": { "id": "indacaterol-ecabet similarity", "source_label": "indacaterol", "target_label": "ecabet", "cosine_similarity": 0.3137510120868683 } }, { "source": "CID:4823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "pimobendan-yohimbine similarity", "source_label": "pimobendan", "target_label": "yohimbine", "cosine_similarity": 0.367749273777008 } }, { "source": "CID:60186762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668348", "properties": { "id": "SA-1939126-SA-1922975 similarity", "source_label": "SA-1939126", "target_label": "SA-1922975", "cosine_similarity": 0.3616777956485748 } }, { "source": "CID:135886614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "BG-1018-gliclazide similarity", "source_label": "BG-1018", "target_label": "gliclazide", "cosine_similarity": 0.3062490224838257 } }, { "source": "CID:44143700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "KUC103424N-methyl-fasudil similarity", "source_label": "KUC103424N", "target_label": "methyl-fasudil", "cosine_similarity": 0.2265499085187912 } }, { "source": "CID:71015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489343", "properties": { "id": "n-methylphenothiazine-SA-425929 similarity", "source_label": "n-methylphenothiazine", "target_label": "SA-425929", "cosine_similarity": 0.1912925839424133 } }, { "source": "CID:64139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "efavirenz-paracetamol similarity", "source_label": "efavirenz", "target_label": "paracetamol", "cosine_similarity": 0.4184716045856476 } }, { "source": "CID:2160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "amitriptyline-CCT-031374 similarity", "source_label": "amitriptyline", "target_label": "CCT-031374", "cosine_similarity": 0.6796784400939941 } }, { "source": "CID:4363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "N-formylmethionylalanine-selinidin similarity", "source_label": "N-formylmethionylalanine", "target_label": "selinidin", "cosine_similarity": 0.3060101270675659 } }, { "source": "CID:60773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3162043", "properties": { "id": "valaciclovir-MW-STK33-1B similarity", "source_label": "valaciclovir", "target_label": "MW-STK33-1B", "cosine_similarity": 0.2406518906354904 } }, { "source": "CID:125519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "aminogenistein-fatostatin similarity", "source_label": "aminogenistein", "target_label": "fatostatin", "cosine_similarity": 0.2541368305683136 } }, { "source": "CID:54616417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668348", "properties": { "id": "SA-424755-SA-1922975 similarity", "source_label": "SA-424755", "target_label": "SA-1922975", "cosine_similarity": 0.2783955931663513 } }, { "source": "CID:68602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "medetomidine-ketorolac similarity", "source_label": "medetomidine", "target_label": "ketorolac", "cosine_similarity": 0.4421471655368805 } }, { "source": "CID:9904854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "R-112-sorafenib similarity", "source_label": "R-112", "target_label": "sorafenib", "cosine_similarity": 0.4376250803470611 } }, { "source": "CID:25150857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "BIX-01294-trifluoperazine similarity", "source_label": "BIX-01294", "target_label": "trifluoperazine", "cosine_similarity": 0.4840521812438965 } }, { "source": "CID:71496458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "AZD-9291-STA-5326 similarity", "source_label": "AZD-9291", "target_label": "STA-5326", "cosine_similarity": 0.4610002040863037 } }, { "source": "CID:31373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688561", "properties": { "id": "tetrachloroethylene-procaterol similarity", "source_label": "tetrachloroethylene", "target_label": "procaterol", "cosine_similarity": 0.2691474556922912 } }, { "source": "CID:44640177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "KU-C104491-L-ergothioneine similarity", "source_label": "KU-C104491", "target_label": "L-ergothioneine", "cosine_similarity": 0.395293116569519 } }, { "source": "CID:155774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265276", "properties": { "id": "xamoterol-WZ-7043 similarity", "source_label": "xamoterol", "target_label": "WZ-7043", "cosine_similarity": 0.208229124546051 } }, { "source": "CID:6450278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "GR-235-pifithrin-mu similarity", "source_label": "GR-235", "target_label": "pifithrin-mu", "cosine_similarity": 0.3733574748039245 } }, { "source": "CID:11691726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "balapiravir-probucol similarity", "source_label": "balapiravir", "target_label": "probucol", "cosine_similarity": 0.4202820062637329 } }, { "source": "CID:5702031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5723", "properties": { "id": "danazol-zardaverine similarity", "source_label": "danazol", "target_label": "zardaverine", "cosine_similarity": 0.4026433229446411 } }, { "source": "CID:50922681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53025", "properties": { "id": "NSI-189-cefotetan similarity", "source_label": "NSI-189", "target_label": "cefotetan", "cosine_similarity": 0.2671693861484527 } }, { "source": "CID:10296883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44205240", "properties": { "id": "sotrastaurin-baricitinib similarity", "source_label": "sotrastaurin", "target_label": "baricitinib", "cosine_similarity": 0.2750647366046905 } }, { "source": "CID:10286159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "erteberel-clofibric-acid similarity", "source_label": "erteberel", "target_label": "clofibric-acid", "cosine_similarity": 0.5144118070602417 } }, { "source": "CID:5288600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "IC-261-mebendazole similarity", "source_label": "IC-261", "target_label": "mebendazole", "cosine_similarity": 0.6329285502433777 } }, { "source": "CID:71157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "nefiracetam-lorcaserin similarity", "source_label": "nefiracetam", "target_label": "lorcaserin", "cosine_similarity": 0.4520673751831054 } }, { "source": "CID:44508028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "SA-247582-PI-828 similarity", "source_label": "SA-247582", "target_label": "PI-828", "cosine_similarity": 0.3550388216972351 } }, { "source": "CID:5447130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281708", "properties": { "id": "nitrofural-daidzein similarity", "source_label": "nitrofural", "target_label": "daidzein", "cosine_similarity": 0.230326235294342 } }, { "source": "CID:11658860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034756", "properties": { "id": "lorcaserin-formoterol similarity", "source_label": "lorcaserin", "target_label": "formoterol", "cosine_similarity": 0.5466607809066772 } }, { "source": "CID:11292191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "AZD-1981-finasteride similarity", "source_label": "AZD-1981", "target_label": "finasteride", "cosine_similarity": 0.3178792297840118 } }, { "source": "CID:108137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "SCH-28080-tirasemtiv similarity", "source_label": "SCH-28080", "target_label": "tirasemtiv", "cosine_similarity": 0.4375690519809723 } }, { "source": "CID:5323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "sulfadimethoxine-leucovorin similarity", "source_label": "sulfadimethoxine", "target_label": "leucovorin", "cosine_similarity": 0.2586696445941925 } }, { "source": "CID:9797857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "AR-C133057XX-BMS-641988 similarity", "source_label": "AR-C133057XX", "target_label": "BMS-641988", "cosine_similarity": 0.6024804711341858 } }, { "source": "CID:2141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "amifostine-dalcetrapib similarity", "source_label": "amifostine", "target_label": "dalcetrapib", "cosine_similarity": 0.3327917158603668 } }, { "source": "CID:7427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "trehalose-resatorvid similarity", "source_label": "trehalose", "target_label": "resatorvid", "cosine_similarity": 0.4677121043205261 } }, { "source": "CID:167683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "leucodin-SD-6-035-A3 similarity", "source_label": "leucodin", "target_label": "SD-6-035-A3", "cosine_similarity": 0.3238905966281891 } }, { "source": "CID:44505892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SA-419090-phenothiazine similarity", "source_label": "SA-419090", "target_label": "phenothiazine", "cosine_similarity": 0.3398366272449493 } }, { "source": "CID:3475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "gliclazide-molsidomine similarity", "source_label": "gliclazide", "target_label": "molsidomine", "cosine_similarity": 0.8044977188110352 } }, { "source": "CID:9967941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549289", "properties": { "id": "SB-525334-TWS-119 similarity", "source_label": "SB-525334", "target_label": "TWS-119", "cosine_similarity": 0.3653655350208282 } }, { "source": "CID:9675990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "PAC-1-VU-0418946-1 similarity", "source_label": "PAC-1", "target_label": "VU-0418946-1", "cosine_similarity": 0.7036718130111694 } }, { "source": "CID:1013376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "tenovins-nutlin-3 similarity", "source_label": "tenovins", "target_label": "nutlin-3", "cosine_similarity": 0.2738386988639831 } }, { "source": "CID:151075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "nepafenac-PSI-6130 similarity", "source_label": "nepafenac", "target_label": "PSI-6130", "cosine_similarity": 0.3639946579933166 } }, { "source": "CID:5090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "rofecoxib-EXO-1 similarity", "source_label": "rofecoxib", "target_label": "EXO-1", "cosine_similarity": 0.2647483944892883 } }, { "source": "CID:40532410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13025387", "properties": { "id": "chlormadinone-ticarcillin similarity", "source_label": "chlormadinone", "target_label": "ticarcillin", "cosine_similarity": 0.2830728888511657 } }, { "source": "CID:53245449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7534", "properties": { "id": "TUL_XIX002-eucatropine similarity", "source_label": "TUL_XIX002", "target_label": "eucatropine", "cosine_similarity": 0.2606600821018219 } }, { "source": "CID:44488857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-84905-SA-1919248 similarity", "source_label": "SA-84905", "target_label": "SA-1919248", "cosine_similarity": 0.3648063838481903 } }, { "source": "CID:71384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "razoxane-docetaxel similarity", "source_label": "razoxane", "target_label": "docetaxel", "cosine_similarity": 0.6248250007629395 } }, { "source": "CID:3825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4006", "properties": { "id": "ketoprofen-malotilate similarity", "source_label": "ketoprofen", "target_label": "malotilate", "cosine_similarity": 0.3089557588100433 } }, { "source": "CID:44616591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-427069-SA-84905 similarity", "source_label": "SA-427069", "target_label": "SA-84905", "cosine_similarity": 0.298407107591629 } }, { "source": "CID:44503242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "SA-244587-NU-1025 similarity", "source_label": "SA-244587", "target_label": "NU-1025", "cosine_similarity": 0.3304363787174225 } }, { "source": "CID:5280378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4099", "properties": { "id": "formononetin-metharbital similarity", "source_label": "formononetin", "target_label": "metharbital", "cosine_similarity": 0.2685190141201019 } }, { "source": "CID:9941444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443872", "properties": { "id": "pasireotide-eplerenone similarity", "source_label": "pasireotide", "target_label": "eplerenone", "cosine_similarity": 0.3208640217781067 } }, { "source": "CID:230748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "INCA-6-CVF-SUMO-11 similarity", "source_label": "INCA-6", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.4591020941734314 } }, { "source": "CID:16038120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56599293", "properties": { "id": "NVP-TAE684-AZD-3463 similarity", "source_label": "NVP-TAE684", "target_label": "AZD-3463", "cosine_similarity": 0.4522857367992401 } }, { "source": "CID:60857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "zolmitriptan-PT-630 similarity", "source_label": "zolmitriptan", "target_label": "PT-630", "cosine_similarity": 0.3111104667186737 } }, { "source": "CID:3894573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "RS-17053-GR-127935 similarity", "source_label": "RS-17053", "target_label": "GR-127935", "cosine_similarity": 0.7850136160850525 } }, { "source": "CID:4764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "phenolphthalein-pepstatin similarity", "source_label": "phenolphthalein", "target_label": "pepstatin", "cosine_similarity": 0.4574616551399231 } }, { "source": "CID:44506630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "SA-247384-SA-247714 similarity", "source_label": "SA-247384", "target_label": "SA-247714", "cosine_similarity": 0.6218317747116089 } }, { "source": "CID:49766549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9893887", "properties": { "id": "TL-HRAS-27-L-368899 similarity", "source_label": "TL-HRAS-27", "target_label": "L-368899", "cosine_similarity": 0.2164347767829895 } }, { "source": "CID:3957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "loratadine-mCPP similarity", "source_label": "loratadine", "target_label": "mCPP", "cosine_similarity": 0.4238516986370086 } }, { "source": "CID:5329102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "sunitinib-SA-1973507 similarity", "source_label": "sunitinib", "target_label": "SA-1973507", "cosine_similarity": 0.5680450201034546 } }, { "source": "CID:54657753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "SA-1460110-adenosine similarity", "source_label": "SA-1460110", "target_label": "adenosine", "cosine_similarity": 0.2863269448280334 } }, { "source": "CID:5154691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "NM-PP1-JAS07-006 similarity", "source_label": "NM-PP1", "target_label": "JAS07-006", "cosine_similarity": 0.5419549345970154 } }, { "source": "CID:5312111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "NF-449-SB-683698 similarity", "source_label": "NF-449", "target_label": "SB-683698", "cosine_similarity": 0.4801441431045532 } }, { "source": "CID:3012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "R-59022-L-ergothioneine similarity", "source_label": "R-59022", "target_label": "L-ergothioneine", "cosine_similarity": 0.366948127746582 } }, { "source": "CID:45006158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "betamethasone-acetate-budesonide similarity", "source_label": "betamethasone-acetate", "target_label": "budesonide", "cosine_similarity": 0.4569258093833923 } }, { "source": "CID:11597537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "CC-930-meclizine similarity", "source_label": "CC-930", "target_label": "meclizine", "cosine_similarity": 0.3663439750671386 } }, { "source": "CID:4521392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048845", "properties": { "id": "SB-431542-TCS-359 similarity", "source_label": "SB-431542", "target_label": "TCS-359", "cosine_similarity": 0.3187367022037506 } }, { "source": "CID:441314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "miglitol-metamizole similarity", "source_label": "miglitol", "target_label": "metamizole", "cosine_similarity": 0.3136315047740936 } }, { "source": "CID:162834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "fenobam-gatifloxacin similarity", "source_label": "fenobam", "target_label": "gatifloxacin", "cosine_similarity": 0.3203893005847931 } }, { "source": "CID:10206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "cepharanthine-CAM-9-027-3 similarity", "source_label": "cepharanthine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.4518291056156158 } }, { "source": "CID:135412158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "OM-137-LFM-A13 similarity", "source_label": "OM-137", "target_label": "LFM-A13", "cosine_similarity": 0.2583436369895935 } }, { "source": "CID:5531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "trapidil-mirtazapine similarity", "source_label": "trapidil", "target_label": "mirtazapine", "cosine_similarity": 0.2783969342708587 } }, { "source": "CID:4296446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4817", "properties": { "id": "VU-0447127-2-pifithrin-alpha similarity", "source_label": "VU-0447127-2", "target_label": "pifithrin-alpha", "cosine_similarity": 0.2322617173194885 } }, { "source": "CID:44589607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2286", "properties": { "id": "7b-cis-BADGE similarity", "source_label": "7b-cis", "target_label": "BADGE", "cosine_similarity": 0.6839708685874939 } }, { "source": "CID:47099517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "ARG-CSC-18-SA-102096 similarity", "source_label": "ARG-CSC-18", "target_label": "SA-102096", "cosine_similarity": 0.2898215353488922 } }, { "source": "CID:73707376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "DC-45-A2-ASN-05257430 similarity", "source_label": "DC-45-A2", "target_label": "ASN-05257430", "cosine_similarity": 0.4816631972789764 } }, { "source": "CID:48229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64715", "properties": { "id": "talniflumate-mevastatin similarity", "source_label": "talniflumate", "target_label": "mevastatin", "cosine_similarity": 0.23300102353096 } }, { "source": "CID:5360807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "lasalocid-macitentan similarity", "source_label": "lasalocid", "target_label": "macitentan", "cosine_similarity": 0.7547203898429871 } }, { "source": "CID:51003694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "EMF-sumo1-39-F-1566-0341 similarity", "source_label": "EMF-sumo1-39", "target_label": "F-1566-0341", "cosine_similarity": 0.7785833477973938 } }, { "source": "CID:5816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "epinephrine-oxiconazole similarity", "source_label": "epinephrine", "target_label": "oxiconazole", "cosine_similarity": 0.2974040508270263 } }, { "source": "CID:65981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "repaglinide-riociguat similarity", "source_label": "repaglinide", "target_label": "riociguat", "cosine_similarity": 0.4539465010166168 } }, { "source": "CID:3489614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "CGP-54626-DL-TBOA similarity", "source_label": "CGP-54626", "target_label": "DL-TBOA", "cosine_similarity": 0.3075249791145324 } }, { "source": "CID:4932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874913", "properties": { "id": "propafenone-CP-724714 similarity", "source_label": "propafenone", "target_label": "CP-724714", "cosine_similarity": 0.2683258056640625 } }, { "source": "CID:3408722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "nafadotride-cefixime similarity", "source_label": "nafadotride", "target_label": "cefixime", "cosine_similarity": 0.3399375975131988 } }, { "source": "CID:66654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "xanthoxyline-zebularine similarity", "source_label": "xanthoxyline", "target_label": "zebularine", "cosine_similarity": 0.2933997511863708 } }, { "source": "CID:54658423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494477", "properties": { "id": "SA-1460008-SA-243913 similarity", "source_label": "SA-1460008", "target_label": "SA-243913", "cosine_similarity": 0.3639335036277771 } }, { "source": "CID:3948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "lomefloxacin-phenacemide similarity", "source_label": "lomefloxacin", "target_label": "phenacemide", "cosine_similarity": 0.3276322185993194 } }, { "source": "CID:4992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "mepyramine-dideoxyadenosine similarity", "source_label": "mepyramine", "target_label": "dideoxyadenosine", "cosine_similarity": 0.4505159258842468 } }, { "source": "CID:6476406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710752", "properties": { "id": "NP-010914-iriflophenone similarity", "source_label": "NP-010914", "target_label": "iriflophenone", "cosine_similarity": 0.2597846984863281 } }, { "source": "CID:204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "allantoin-GSK-J2 similarity", "source_label": "allantoin", "target_label": "GSK-J2", "cosine_similarity": 0.3370966017246246 } }, { "source": "CID:2107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153005", "properties": { "id": "alpha-methylserotonin-tyramine similarity", "source_label": "alpha-methylserotonin", "target_label": "tyramine", "cosine_similarity": 0.2210580259561538 } }, { "source": "CID:2951859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "DAC-009-PT-630 similarity", "source_label": "DAC-009", "target_label": "PT-630", "cosine_similarity": 0.3715440332889557 } }, { "source": "CID:34040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "nicergoline-metamizole similarity", "source_label": "nicergoline", "target_label": "metamizole", "cosine_similarity": 0.3898528218269348 } }, { "source": "CID:45259135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "VU-0415108-1-SMER-28 similarity", "source_label": "VU-0415108-1", "target_label": "SMER-28", "cosine_similarity": 0.2492451071739196 } }, { "source": "CID:5385074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4633", "properties": { "id": "kakonein-oxybuprocaine similarity", "source_label": "kakonein", "target_label": "oxybuprocaine", "cosine_similarity": 0.4960597157478332 } }, { "source": "CID:415541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "U-18666A-trifluoperazine similarity", "source_label": "U-18666A", "target_label": "trifluoperazine", "cosine_similarity": 0.5997862815856934 } }, { "source": "CID:92722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "argatroban-levofloxacin similarity", "source_label": "argatroban", "target_label": "levofloxacin", "cosine_similarity": 0.3776115775108337 } }, { "source": "CID:100018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "ginsenoside-NCS-382 similarity", "source_label": "ginsenoside", "target_label": "NCS-382", "cosine_similarity": 0.2249362021684646 } }, { "source": "CID:24066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "zalcitabine-JNJ-38877605 similarity", "source_label": "zalcitabine", "target_label": "JNJ-38877605", "cosine_similarity": 0.3627312481403351 } }, { "source": "CID:5405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "terfenadine-RS-17053 similarity", "source_label": "terfenadine", "target_label": "RS-17053", "cosine_similarity": 0.7911810278892517 } }, { "source": "CID:16760312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "inhibitor-BEC-methotrexate similarity", "source_label": "inhibitor-BEC", "target_label": "methotrexate", "cosine_similarity": 0.3945131599903106 } }, { "source": "CID:9909648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "PNU-96415E-TCPOBOP similarity", "source_label": "PNU-96415E", "target_label": "TCPOBOP", "cosine_similarity": 0.2357380092144012 } }, { "source": "CID:460612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "melphalan-irinotecan similarity", "source_label": "melphalan", "target_label": "irinotecan", "cosine_similarity": 0.4044286012649536 } }, { "source": "CID:2820633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "KM-04501-fumonisin-b1 similarity", "source_label": "KM-04501", "target_label": "fumonisin-b1", "cosine_similarity": 0.2736839652061462 } }, { "source": "CID:11382492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "CMPD-1-cercosporin similarity", "source_label": "CMPD-1", "target_label": "cercosporin", "cosine_similarity": 0.4840136170387268 } }, { "source": "CID:44483335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "GW-311616-bemegride similarity", "source_label": "GW-311616", "target_label": "bemegride", "cosine_similarity": 0.2357709854841232 } }, { "source": "CID:2951859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "DAC-009-DAC-004 similarity", "source_label": "DAC-009", "target_label": "DAC-004", "cosine_similarity": 0.6756590008735657 } }, { "source": "CID:4034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "meclizine-lacosamide similarity", "source_label": "meclizine", "target_label": "lacosamide", "cosine_similarity": 0.4348390996456146 } }, { "source": "CID:374536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "RITA-oncrasin-1 similarity", "source_label": "RITA", "target_label": "oncrasin-1", "cosine_similarity": 0.4797185063362121 } }, { "source": "CID:2736690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "IBC-293-mesoridazine similarity", "source_label": "IBC-293", "target_label": "mesoridazine", "cosine_similarity": 0.2756653130054474 } }, { "source": "CID:8421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "homoveratrylamine-molsidomine similarity", "source_label": "homoveratrylamine", "target_label": "molsidomine", "cosine_similarity": 0.2157087475061416 } }, { "source": "CID:50248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565181", "properties": { "id": "triclabendazole-IOWH-032 similarity", "source_label": "triclabendazole", "target_label": "IOWH-032", "cosine_similarity": 0.2776480615139007 } }, { "source": "CID:5311452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "SR-59230A-BIBU-1361 similarity", "source_label": "SR-59230A", "target_label": "BIBU-1361", "cosine_similarity": 0.3175168335437774 } }, { "source": "CID:25195294", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "LDN-193189-narciclasine similarity", "source_label": "LDN-193189", "target_label": "narciclasine", "cosine_similarity": 0.4577395617961883 } }, { "source": "CID:18343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2541", "properties": { "id": "doxifluridine-candesartan similarity", "source_label": "doxifluridine", "target_label": "candesartan", "cosine_similarity": 0.3063265383243561 } }, { "source": "CID:2116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "alpha-tocopherol-myricetin similarity", "source_label": "alpha-tocopherol", "target_label": "myricetin", "cosine_similarity": 0.384920597076416 } }, { "source": "CID:51049968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "BMS-927711-clofibric-acid similarity", "source_label": "BMS-927711", "target_label": "clofibric-acid", "cosine_similarity": 0.3843620717525482 } }, { "source": "CID:44488016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "SA-94315-MW-MITF28 similarity", "source_label": "SA-94315", "target_label": "MW-MITF28", "cosine_similarity": 0.3078140318393707 } }, { "source": "CID:44495084", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187506", "properties": { "id": "SA-440772-SA-1937516 similarity", "source_label": "SA-440772", "target_label": "SA-1937516", "cosine_similarity": 0.305921196937561 } }, { "source": "CID:10000456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318433", "properties": { "id": "RS-102895-indirubin similarity", "source_label": "RS-102895", "target_label": "indirubin", "cosine_similarity": 0.2590800821781158 } }, { "source": "CID:54657718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253143", "properties": { "id": "SA-1456456-GW-842166 similarity", "source_label": "SA-1456456", "target_label": "GW-842166", "cosine_similarity": 0.1918525844812393 } }, { "source": "CID:151075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "nepafenac-estramustine-phosphate similarity", "source_label": "nepafenac", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3654552400112152 } }, { "source": "CID:40634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25419", "properties": { "id": "trolox-clodronic-acid similarity", "source_label": "trolox", "target_label": "clodronic-acid", "cosine_similarity": 0.2329515516757965 } }, { "source": "CID:5282272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "anandamide-cholic-acid similarity", "source_label": "anandamide", "target_label": "cholic-acid", "cosine_similarity": 0.4954466521739959 } }, { "source": "CID:65833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33630", "properties": { "id": "milnacipran-penfluridol similarity", "source_label": "milnacipran", "target_label": "penfluridol", "cosine_similarity": 0.5210375785827637 } }, { "source": "CID:151118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "CPI-1189-gimeracil similarity", "source_label": "CPI-1189", "target_label": "gimeracil", "cosine_similarity": 0.4420598149299621 } }, { "source": "CID:4592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610267", "properties": { "id": "olomoucine-EI-231 similarity", "source_label": "olomoucine", "target_label": "EI-231", "cosine_similarity": 0.3737895488739013 } }, { "source": "CID:2155128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "IWP-2-alda-1 similarity", "source_label": "IWP-2", "target_label": "alda-1", "cosine_similarity": 0.4890778660774231 } }, { "source": "CID:4632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "oxybenzone-iproniazid similarity", "source_label": "oxybenzone", "target_label": "iproniazid", "cosine_similarity": 0.4045014679431915 } }, { "source": "CID:44503122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-101776-FTI-276 similarity", "source_label": "SA-101776", "target_label": "FTI-276", "cosine_similarity": 0.2930606305599212 } }, { "source": "CID:5329103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33630", "properties": { "id": "SU-11652-penfluridol similarity", "source_label": "SU-11652", "target_label": "penfluridol", "cosine_similarity": 0.2923645973205566 } }, { "source": "CID:92400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "zofenopril-calcium-chlorpyrifos similarity", "source_label": "zofenopril-calcium", "target_label": "chlorpyrifos", "cosine_similarity": 0.2789393663406372 } }, { "source": "CID:1258678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "ST-014075-MW-MITF22 similarity", "source_label": "ST-014075", "target_label": "MW-MITF22", "cosine_similarity": 0.3102699518203735 } }, { "source": "CID:864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "thioctic-acid-ropinirole similarity", "source_label": "thioctic-acid", "target_label": "ropinirole", "cosine_similarity": 0.3741582930088043 } }, { "source": "CID:609483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "ARC-239-SB-683698 similarity", "source_label": "ARC-239", "target_label": "SB-683698", "cosine_similarity": 0.2607637047767639 } }, { "source": "CID:3803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "JLK-6-EMF-bca1-16 similarity", "source_label": "JLK-6", "target_label": "EMF-bca1-16", "cosine_similarity": 0.5683006644248962 } }, { "source": "CID:9675990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "PAC-1-VU-0418933-1 similarity", "source_label": "PAC-1", "target_label": "VU-0418933-1", "cosine_similarity": 0.70151686668396 } }, { "source": "CID:2798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "clofilium-COL-3 similarity", "source_label": "clofilium", "target_label": "COL-3", "cosine_similarity": 0.4451250731945038 } }, { "source": "CID:3058754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "deracoxib-zolpidem similarity", "source_label": "deracoxib", "target_label": "zolpidem", "cosine_similarity": 0.2427229732275009 } }, { "source": "CID:657255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "suloctidil-CGP-71683 similarity", "source_label": "suloctidil", "target_label": "CGP-71683", "cosine_similarity": 0.7399866580963135 } }, { "source": "CID:52914932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "SAR-245408-motesanib similarity", "source_label": "SAR-245408", "target_label": "motesanib", "cosine_similarity": 0.3298195898532867 } }, { "source": "CID:9830191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "tipranavir-entecavir similarity", "source_label": "tipranavir", "target_label": "entecavir", "cosine_similarity": 0.3677006661891937 } }, { "source": "CID:2275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "sodium-gualenate-diazoxide similarity", "source_label": "sodium-gualenate", "target_label": "diazoxide", "cosine_similarity": 0.5055839419364929 } }, { "source": "CID:9855081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "cyclosporin-a-AG-592 similarity", "source_label": "cyclosporin-a", "target_label": "AG-592", "cosine_similarity": 0.6796156167984009 } }, { "source": "CID:5577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "trimethobenzamide-methazolamide similarity", "source_label": "trimethobenzamide", "target_label": "methazolamide", "cosine_similarity": 0.2368258535861969 } }, { "source": "CID:54658498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483939", "properties": { "id": "SA-1459167-SA-1944378 similarity", "source_label": "SA-1459167", "target_label": "SA-1944378", "cosine_similarity": 0.3559048771858215 } }, { "source": "CID:2161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "amlexanox-aliskiren similarity", "source_label": "amlexanox", "target_label": "aliskiren", "cosine_similarity": 0.4762934446334839 } }, { "source": "CID:5456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4135", "properties": { "id": "thonzonium-methyl-benzethonium similarity", "source_label": "thonzonium", "target_label": "methyl-benzethonium", "cosine_similarity": 0.404538631439209 } }, { "source": "CID:11955716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "AT-13387-tanespimycin similarity", "source_label": "AT-13387", "target_label": "tanespimycin", "cosine_similarity": 0.8390979170799255 } }, { "source": "CID:4595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ondansetron-gossypin similarity", "source_label": "ondansetron", "target_label": "gossypin", "cosine_similarity": 0.3502008020877838 } }, { "source": "CID:1544274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "EMF-sumo1-4-CGS-21680 similarity", "source_label": "EMF-sumo1-4", "target_label": "CGS-21680", "cosine_similarity": 0.3389361500740051 } }, { "source": "CID:130611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "kifunensine-orciprenaline similarity", "source_label": "kifunensine", "target_label": "orciprenaline", "cosine_similarity": 0.3080450892448425 } }, { "source": "CID:5358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "sumatriptan-primaquine similarity", "source_label": "sumatriptan", "target_label": "primaquine", "cosine_similarity": 0.4876437187194824 } }, { "source": "CID:471161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60063", "properties": { "id": "maribavir-clinafloxacin similarity", "source_label": "maribavir", "target_label": "clinafloxacin", "cosine_similarity": 0.352863073348999 } }, { "source": "CID:4030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "mebendazole-HMN-214 similarity", "source_label": "mebendazole", "target_label": "HMN-214", "cosine_similarity": 0.7209505438804626 } }, { "source": "CID:2206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "phenazone-ST-059620 similarity", "source_label": "phenazone", "target_label": "ST-059620", "cosine_similarity": 0.3644594252109527 } }, { "source": "CID:2099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312145", "properties": { "id": "alosetron-Ro-04-6790 similarity", "source_label": "alosetron", "target_label": "Ro-04-6790", "cosine_similarity": 0.3292199969291687 } }, { "source": "CID:310557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "EXO-1-gossypin similarity", "source_label": "EXO-1", "target_label": "gossypin", "cosine_similarity": 0.33394455909729 } }, { "source": "CID:16760027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "BML-259-kenpaullone similarity", "source_label": "BML-259", "target_label": "kenpaullone", "cosine_similarity": 0.6691490411758423 } }, { "source": "CID:9047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:610479", "properties": { "id": "sulfametopyrazine-tolfenamic-acid similarity", "source_label": "sulfametopyrazine", "target_label": "tolfenamic-acid", "cosine_similarity": 0.2290074676275253 } }, { "source": "CID:28871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "fentiazac-gatifloxacin similarity", "source_label": "fentiazac", "target_label": "gatifloxacin", "cosine_similarity": 0.3213962912559509 } }, { "source": "CID:11712649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "MLN-8054-HMN-214 similarity", "source_label": "MLN-8054", "target_label": "HMN-214", "cosine_similarity": 0.5401772856712341 } }, { "source": "CID:5281727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17759555", "properties": { "id": "pterostilbene-cyanoquinoline-11 similarity", "source_label": "pterostilbene", "target_label": "cyanoquinoline-11", "cosine_similarity": 0.5720314383506775 } }, { "source": "CID:119192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "SR-48692-SA-102096 similarity", "source_label": "SR-48692", "target_label": "SA-102096", "cosine_similarity": 0.1916438341140747 } }, { "source": "CID:44593870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "KU-C103885-parecoxib similarity", "source_label": "KU-C103885", "target_label": "parecoxib", "cosine_similarity": 0.3361602127552032 } }, { "source": "CID:44483270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "ouabain-digitoxigenin similarity", "source_label": "ouabain", "target_label": "digitoxigenin", "cosine_similarity": 0.8583874106407166 } }, { "source": "CID:5641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "urethane-SA-1456170 similarity", "source_label": "urethane", "target_label": "SA-1456170", "cosine_similarity": 0.2684458196163177 } }, { "source": "CID:6466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "MD-920-ibutamoren similarity", "source_label": "MD-920", "target_label": "ibutamoren", "cosine_similarity": 0.4373815357685089 } }, { "source": "CID:3827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "ketotifen-diethylcarbamazine similarity", "source_label": "ketotifen", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3829970955848694 } }, { "source": "CID:5282459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5411", "properties": { "id": "cinepazide-tetracaine similarity", "source_label": "cinepazide", "target_label": "tetracaine", "cosine_similarity": 0.3584390878677368 } }, { "source": "CID:5281426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "umbelliferone-estradiol-cypionate similarity", "source_label": "umbelliferone", "target_label": "estradiol-cypionate", "cosine_similarity": 0.247230976819992 } }, { "source": "CID:44507283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54615019", "properties": { "id": "SA-247592-SA-424827 similarity", "source_label": "SA-247592", "target_label": "SA-424827", "cosine_similarity": 0.3644101321697235 } }, { "source": "CID:2777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2712", "properties": { "id": "CL-82198-chlordiazepoxide similarity", "source_label": "CL-82198", "target_label": "chlordiazepoxide", "cosine_similarity": 0.2914767563343048 } }, { "source": "CID:7333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6249", "properties": { "id": "ditolylguanidine-ampicillin similarity", "source_label": "ditolylguanidine", "target_label": "ampicillin", "cosine_similarity": 0.2161364108324051 } }, { "source": "CID:15330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19667", "properties": { "id": "levopropoxyphene-bephenium similarity", "source_label": "levopropoxyphene", "target_label": "bephenium", "cosine_similarity": 0.2860595881938934 } }, { "source": "CID:54618085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "SA-424068-lorazepam similarity", "source_label": "SA-424068", "target_label": "lorazepam", "cosine_similarity": 0.2789644300937652 } }, { "source": "CID:3561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "haloprogin-I-606051 similarity", "source_label": "haloprogin", "target_label": "I-606051", "cosine_similarity": 0.5069963932037354 } }, { "source": "CID:5906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280378", "properties": { "id": "metaraminol-formononetin similarity", "source_label": "metaraminol", "target_label": "formononetin", "cosine_similarity": 0.2093085795640945 } }, { "source": "CID:16654980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "buparlisib-ZSTK-474 similarity", "source_label": "buparlisib", "target_label": "ZSTK-474", "cosine_similarity": 0.7352907657623291 } }, { "source": "CID:62872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361", "properties": { "id": "aminobenztropine-suramin similarity", "source_label": "aminobenztropine", "target_label": "suramin", "cosine_similarity": 0.3069106638431549 } }, { "source": "CID:4614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "oxaprozin-pritelivir similarity", "source_label": "oxaprozin", "target_label": "pritelivir", "cosine_similarity": 0.4449402093887329 } }, { "source": "CID:44483270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "ouabain-cymarin similarity", "source_label": "ouabain", "target_label": "cymarin", "cosine_similarity": 0.865855872631073 } }, { "source": "CID:16747683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "AZD-5438-BAY-61-3606 similarity", "source_label": "AZD-5438", "target_label": "BAY-61-3606", "cosine_similarity": 0.6195799112319946 } }, { "source": "CID:5403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "terbutaline-prima-1-met similarity", "source_label": "terbutaline", "target_label": "prima-1-met", "cosine_similarity": 0.2909198105335235 } }, { "source": "CID:3169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "dropropizine-rilmenidine similarity", "source_label": "dropropizine", "target_label": "rilmenidine", "cosine_similarity": 0.3784834146499634 } }, { "source": "CID:134018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60953", "properties": { "id": "febuxostat-capecitabine similarity", "source_label": "febuxostat", "target_label": "capecitabine", "cosine_similarity": 0.3468853533267975 } }, { "source": "CID:4055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286565", "properties": { "id": "menadione-ST-4029573 similarity", "source_label": "menadione", "target_label": "ST-4029573", "cosine_similarity": 0.412250280380249 } }, { "source": "CID:9827968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5723", "properties": { "id": "GSK-256066-zardaverine similarity", "source_label": "GSK-256066", "target_label": "zardaverine", "cosine_similarity": 0.3840899765491485 } }, { "source": "CID:44483164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "KU-C103853-CVF-SUMO-14 similarity", "source_label": "KU-C103853", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.3184396922588348 } }, { "source": "CID:72551585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "UNC-1999-thioridazine similarity", "source_label": "UNC-1999", "target_label": "thioridazine", "cosine_similarity": 0.5326835513114929 } }, { "source": "CID:9841972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "BRL-37344-phenothiazine similarity", "source_label": "BRL-37344", "target_label": "phenothiazine", "cosine_similarity": 0.2729646265506744 } }, { "source": "CID:441130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4631", "properties": { "id": "meropenem-oxprenolol similarity", "source_label": "meropenem", "target_label": "oxprenolol", "cosine_similarity": 0.2867432534694671 } }, { "source": "CID:71616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "voriconazole-flavoxate similarity", "source_label": "voriconazole", "target_label": "flavoxate", "cosine_similarity": 0.3940611183643341 } }, { "source": "CID:11175137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11467730", "properties": { "id": "AT-7867-BMS-509744 similarity", "source_label": "AT-7867", "target_label": "BMS-509744", "cosine_similarity": 0.3734345138072967 } }, { "source": "CID:1646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "tramiprosate-repaglinide similarity", "source_label": "tramiprosate", "target_label": "repaglinide", "cosine_similarity": 0.3807376027107239 } }, { "source": "CID:5090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "rofecoxib-losartan similarity", "source_label": "rofecoxib", "target_label": "losartan", "cosine_similarity": 0.2578359544277191 } }, { "source": "CID:65492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "iopamidol-quercetin similarity", "source_label": "iopamidol", "target_label": "quercetin", "cosine_similarity": 0.3308956921100616 } }, { "source": "CID:3396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "fluspirilene-thioridazine similarity", "source_label": "fluspirilene", "target_label": "thioridazine", "cosine_similarity": 0.5553348064422607 } }, { "source": "CID:60185177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610273", "properties": { "id": "SA-1925246-C2-dihydroceramide similarity", "source_label": "SA-1925246", "target_label": "C2-dihydroceramide", "cosine_similarity": 0.2841714024543762 } }, { "source": "CID:3002119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "fursultiamine-L-689560 similarity", "source_label": "fursultiamine", "target_label": "L-689560", "cosine_similarity": 0.2723569273948669 } }, { "source": "CID:44139710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "KIN-001-220-XMD-1150 similarity", "source_label": "KIN-001-220", "target_label": "XMD-1150", "cosine_similarity": 0.2900590598583221 } }, { "source": "CID:65909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "zaldaride-rimexolone similarity", "source_label": "zaldaride", "target_label": "rimexolone", "cosine_similarity": 0.287432312965393 } }, { "source": "CID:379077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "NSC-663284-withaferin-a similarity", "source_label": "NSC-663284", "target_label": "withaferin-a", "cosine_similarity": 0.6305732131004333 } }, { "source": "CID:3177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "DUP-697-doxazosin similarity", "source_label": "DUP-697", "target_label": "doxazosin", "cosine_similarity": 0.2575085461139679 } }, { "source": "CID:4788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280450", "properties": { "id": "phloretin-linoleic-acid similarity", "source_label": "phloretin", "target_label": "linoleic-acid", "cosine_similarity": 0.478024274110794 } }, { "source": "CID:446596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "mupirocin-MW-MITF22 similarity", "source_label": "mupirocin", "target_label": "MW-MITF22", "cosine_similarity": 0.3002655506134033 } }, { "source": "CID:4673190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "ganglioside-estradiol-cypionate similarity", "source_label": "ganglioside", "target_label": "estradiol-cypionate", "cosine_similarity": 0.324874073266983 } }, { "source": "CID:3125011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "MW-A1-2-phenoxazine similarity", "source_label": "MW-A1-2", "target_label": "phenoxazine", "cosine_similarity": 0.2850105166435241 } }, { "source": "CID:24772043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "tenovin-6-tetrandrine similarity", "source_label": "tenovin-6", "target_label": "tetrandrine", "cosine_similarity": 0.591206967830658 } }, { "source": "CID:24768935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "BMS-641988-NU-1025 similarity", "source_label": "BMS-641988", "target_label": "NU-1025", "cosine_similarity": 0.5581580400466919 } }, { "source": "CID:7184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4684627", "properties": { "id": "butylparaben-RWJ-21757 similarity", "source_label": "butylparaben", "target_label": "RWJ-21757", "cosine_similarity": 0.1950062811374664 } }, { "source": "CID:66377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918409", "properties": { "id": "edoxudine-CO-101244 similarity", "source_label": "edoxudine", "target_label": "CO-101244", "cosine_similarity": 0.2865282297134399 } }, { "source": "CID:5253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39836", "properties": { "id": "sotalol-L-NAME similarity", "source_label": "sotalol", "target_label": "L-NAME", "cosine_similarity": 0.3741118907928467 } }, { "source": "CID:5626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3519541", "properties": { "id": "U-99194-CGP-13501 similarity", "source_label": "U-99194", "target_label": "CGP-13501", "cosine_similarity": 0.3182111382484436 } }, { "source": "CID:23958199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31275", "properties": { "id": "apramycin-dioxane similarity", "source_label": "apramycin", "target_label": "dioxane", "cosine_similarity": 0.1898037195205688 } }, { "source": "CID:24747183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "JAS07-008-glutamine similarity", "source_label": "JAS07-008", "target_label": "glutamine", "cosine_similarity": 0.2838231027126312 } }, { "source": "CID:16747683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "AZD-5438-kenpaullone similarity", "source_label": "AZD-5438", "target_label": "kenpaullone", "cosine_similarity": 0.6447031497955322 } }, { "source": "CID:4112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "methotrexate-clofarabine similarity", "source_label": "methotrexate", "target_label": "clofarabine", "cosine_similarity": 0.5219258069992065 } }, { "source": "CID:208901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159269", "properties": { "id": "tesaglitazar-telbivudine similarity", "source_label": "tesaglitazar", "target_label": "telbivudine", "cosine_similarity": 0.3528024852275848 } }, { "source": "CID:152946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "moxifloxacin-lorazepam similarity", "source_label": "moxifloxacin", "target_label": "lorazepam", "cosine_similarity": 0.4054086804389953 } }, { "source": "CID:2905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "cyclopentolate-SD-6-035-A3 similarity", "source_label": "cyclopentolate", "target_label": "SD-6-035-A3", "cosine_similarity": 0.2660398185253143 } }, { "source": "CID:11493598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "FR-180204-lorazepam similarity", "source_label": "FR-180204", "target_label": "lorazepam", "cosine_similarity": 0.3417769074440002 } }, { "source": "CID:23947601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "cinobufagin-digitoxigenin similarity", "source_label": "cinobufagin", "target_label": "digitoxigenin", "cosine_similarity": 0.8275578618049622 } }, { "source": "CID:44484010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-85764-SA-84905 similarity", "source_label": "SA-85764", "target_label": "SA-84905", "cosine_similarity": 0.3538590371608734 } }, { "source": "CID:2788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "clioquinol-clozapine similarity", "source_label": "clioquinol", "target_label": "clozapine", "cosine_similarity": 0.3015597760677337 } }, { "source": "CID:161930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "icilin-Gossypetin similarity", "source_label": "icilin", "target_label": "Gossypetin", "cosine_similarity": 0.2501627802848816 } }, { "source": "CID:54657689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "SA-1973507-RS-17053 similarity", "source_label": "SA-1973507", "target_label": "RS-17053", "cosine_similarity": 0.6365873217582703 } }, { "source": "CID:1585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "CV-1808-GW-501516 similarity", "source_label": "CV-1808", "target_label": "GW-501516", "cosine_similarity": 0.5151392221450806 } }, { "source": "CID:8433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "dibenzoylmethane-T-5345967 similarity", "source_label": "dibenzoylmethane", "target_label": "T-5345967", "cosine_similarity": 0.306564062833786 } }, { "source": "CID:197835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "hydrastine-gossypin similarity", "source_label": "hydrastine", "target_label": "gossypin", "cosine_similarity": 0.286907434463501 } }, { "source": "CID:65399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "triciribine-I-505056 similarity", "source_label": "triciribine", "target_label": "I-505056", "cosine_similarity": 0.4509298205375671 } }, { "source": "CID:11228183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "ABT-737-hexachlorophene similarity", "source_label": "ABT-737", "target_label": "hexachlorophene", "cosine_similarity": 0.5360373258590698 } }, { "source": "CID:46843906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "XMD-1150-I-BET-762 similarity", "source_label": "XMD-1150", "target_label": "I-BET-762", "cosine_similarity": 0.7007566094398499 } }, { "source": "CID:8969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "yohimbine-LY-2886721 similarity", "source_label": "yohimbine", "target_label": "LY-2886721", "cosine_similarity": 0.5317740440368652 } }, { "source": "CID:23947601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "cinobufagin-cymarin similarity", "source_label": "cinobufagin", "target_label": "cymarin", "cosine_similarity": 0.8370773196220398 } }, { "source": "CID:5462501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2941", "properties": { "id": "enalaprilat-D-609 similarity", "source_label": "enalaprilat", "target_label": "D-609", "cosine_similarity": 0.1839279532432556 } }, { "source": "CID:54680692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15376", "properties": { "id": "phenprocoumon-vincamine similarity", "source_label": "phenprocoumon", "target_label": "vincamine", "cosine_similarity": 0.4672658741474151 } }, { "source": "CID:2531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "calmidazolium-CGP-71683 similarity", "source_label": "calmidazolium", "target_label": "CGP-71683", "cosine_similarity": 0.5980331897735596 } }, { "source": "CID:9875401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "rivaroxaban-clofibric-acid similarity", "source_label": "rivaroxaban", "target_label": "clofibric-acid", "cosine_similarity": 0.477182537317276 } }, { "source": "CID:44492086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "SD-8-006-XAV-939 similarity", "source_label": "SD-8-006", "target_label": "XAV-939", "cosine_similarity": 0.2494203448295593 } }, { "source": "CID:126688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "amthamine-fumonisin-b1 similarity", "source_label": "amthamine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2902823686599731 } }, { "source": "CID:3970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439503", "properties": { "id": "LY-278584-salicin similarity", "source_label": "LY-278584", "target_label": "salicin", "cosine_similarity": 0.2209039181470871 } }, { "source": "CID:126388", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "BD-1008-floxuridine similarity", "source_label": "BD-1008", "target_label": "floxuridine", "cosine_similarity": 0.3146500289440155 } }, { "source": "CID:6918540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "dalcetrapib-7-nitroindazole similarity", "source_label": "dalcetrapib", "target_label": "7-nitroindazole", "cosine_similarity": 0.5388239622116089 } }, { "source": "CID:151171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "conivaptan-tipiracil similarity", "source_label": "conivaptan", "target_label": "tipiracil", "cosine_similarity": 0.5470319390296936 } }, { "source": "CID:4837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "piperazine-paraxanthine similarity", "source_label": "piperazine", "target_label": "paraxanthine", "cosine_similarity": 0.1952046900987625 } }, { "source": "CID:16219259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4996", "properties": { "id": "depudecin-pyroxamide similarity", "source_label": "depudecin", "target_label": "pyroxamide", "cosine_similarity": 0.2980446219444275 } }, { "source": "CID:3180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515709", "properties": { "id": "dyclonine-phenylalanyltyrosine similarity", "source_label": "dyclonine", "target_label": "phenylalanyltyrosine", "cosine_similarity": 0.1677840799093246 } }, { "source": "CID:21071390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682040", "properties": { "id": "idalopirdine-BMS-707035 similarity", "source_label": "idalopirdine", "target_label": "BMS-707035", "cosine_similarity": 0.2715182602405548 } }, { "source": "CID:34870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "amineptine-L-655240 similarity", "source_label": "amineptine", "target_label": "L-655240", "cosine_similarity": 0.4764114916324615 } }, { "source": "CID:10205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3634881", "properties": { "id": "plumbagin-CCT036477 similarity", "source_label": "plumbagin", "target_label": "CCT036477", "cosine_similarity": 0.4663935005664825 } }, { "source": "CID:44819697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "CAY-10618-niclosamide similarity", "source_label": "CAY-10618", "target_label": "niclosamide", "cosine_similarity": 0.4636803865432739 } }, { "source": "CID:3354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918324", "properties": { "id": "flavoxate-tonabersat similarity", "source_label": "flavoxate", "target_label": "tonabersat", "cosine_similarity": 0.4235458076000213 } }, { "source": "CID:4748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "perphenazine-sertraline similarity", "source_label": "perphenazine", "target_label": "sertraline", "cosine_similarity": 0.7148191332817078 } }, { "source": "CID:24856313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "FU-JMBII127B-K784-3131 similarity", "source_label": "FU-JMBII127B", "target_label": "K784-3131", "cosine_similarity": 0.5743852853775024 } }, { "source": "CID:5083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "bisindolylmaleimide-ix-BMS-387032 similarity", "source_label": "bisindolylmaleimide-ix", "target_label": "BMS-387032", "cosine_similarity": 0.7390275597572327 } }, { "source": "CID:3230028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010068", "properties": { "id": "KU-C104139-limonin similarity", "source_label": "KU-C104139", "target_label": "limonin", "cosine_similarity": 0.2173187881708145 } }, { "source": "CID:4170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "metolazone-NF-449 similarity", "source_label": "metolazone", "target_label": "NF-449", "cosine_similarity": 0.4048115909099579 } }, { "source": "CID:3397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "flutamide-nateglinide similarity", "source_label": "flutamide", "target_label": "nateglinide", "cosine_similarity": 0.4720408320426941 } }, { "source": "CID:23760135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "ungerine-TEPP-46 similarity", "source_label": "ungerine", "target_label": "TEPP-46", "cosine_similarity": 0.2391174435615539 } }, { "source": "CID:3048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11754511", "properties": { "id": "dieldrin-BX-912 similarity", "source_label": "dieldrin", "target_label": "BX-912", "cosine_similarity": 0.2333099544048309 } }, { "source": "CID:46926575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "MW-A1-14-ibutamoren similarity", "source_label": "MW-A1-14", "target_label": "ibutamoren", "cosine_similarity": 0.2421120703220367 } }, { "source": "CID:5573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "trimebutine-acrivastine similarity", "source_label": "trimebutine", "target_label": "acrivastine", "cosine_similarity": 0.3957257568836212 } }, { "source": "CID:54666570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "SA-1921456-tetrandrine similarity", "source_label": "SA-1921456", "target_label": "tetrandrine", "cosine_similarity": 0.6223807334899902 } }, { "source": "CID:219078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "lacosamide-valsartan similarity", "source_label": "lacosamide", "target_label": "valsartan", "cosine_similarity": 0.4891345798969269 } }, { "source": "CID:23786513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259136", "properties": { "id": "NK26-I-41-1-VU-0415010 similarity", "source_label": "NK26-I-41-1", "target_label": "VU-0415010", "cosine_similarity": 0.2432417720556259 } }, { "source": "CID:2946601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54685215", "properties": { "id": "JW-55-IOX2 similarity", "source_label": "JW-55", "target_label": "IOX2", "cosine_similarity": 0.4265533983707428 } }, { "source": "CID:3329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "faropenem-vismodegib similarity", "source_label": "faropenem", "target_label": "vismodegib", "cosine_similarity": 0.3311004936695099 } }, { "source": "CID:9933475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607360", "properties": { "id": "cediranib-WZ-3146 similarity", "source_label": "cediranib", "target_label": "WZ-3146", "cosine_similarity": 0.5040460228919983 } }, { "source": "CID:24748204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "MK-5108-chelidonine similarity", "source_label": "MK-5108", "target_label": "chelidonine", "cosine_similarity": 0.4994871318340301 } }, { "source": "CID:91270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "moexipril-aliskiren similarity", "source_label": "moexipril", "target_label": "aliskiren", "cosine_similarity": 0.247419998049736 } }, { "source": "CID:24831714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006121", "properties": { "id": "sotagliflozin-lacitol similarity", "source_label": "sotagliflozin", "target_label": "lacitol", "cosine_similarity": 0.1770802438259124 } }, { "source": "CID:9903757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "BAY-36-7620-roscovitine similarity", "source_label": "BAY-36-7620", "target_label": "roscovitine", "cosine_similarity": 0.1900171637535095 } }, { "source": "CID:24794418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "BMS-777607-S-18986 similarity", "source_label": "BMS-777607", "target_label": "S-18986", "cosine_similarity": 0.3741783499717712 } }, { "source": "CID:7699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281750", "properties": { "id": "benzonatate-seneciphylline similarity", "source_label": "benzonatate", "target_label": "seneciphylline", "cosine_similarity": 0.24102783203125 } }, { "source": "CID:65681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "isbufylline-fluconazole similarity", "source_label": "isbufylline", "target_label": "fluconazole", "cosine_similarity": 0.3001072406768799 } }, { "source": "CID:443278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25226483", "properties": { "id": "pifithrin-HG-5-113-01 similarity", "source_label": "pifithrin", "target_label": "HG-5-113-01", "cosine_similarity": 0.1957678496837616 } }, { "source": "CID:38521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "guanadrel-methazolamide similarity", "source_label": "guanadrel", "target_label": "methazolamide", "cosine_similarity": 0.505854606628418 } }, { "source": "CID:4207396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "ST-014147-SAL-1 similarity", "source_label": "ST-014147", "target_label": "SAL-1", "cosine_similarity": 0.2705802023410797 } }, { "source": "CID:3677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "mephentermine-macitentan similarity", "source_label": "mephentermine", "target_label": "macitentan", "cosine_similarity": 0.446759283542633 } }, { "source": "CID:2783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5078", "properties": { "id": "clenbuterol-rizatriptan similarity", "source_label": "clenbuterol", "target_label": "rizatriptan", "cosine_similarity": 0.3303552865982055 } }, { "source": "CID:44564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3440", "properties": { "id": "lodoxamide-furosemide similarity", "source_label": "lodoxamide", "target_label": "furosemide", "cosine_similarity": 0.4380175769329071 } }, { "source": "CID:222786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "cortisone-SA-423131 similarity", "source_label": "cortisone", "target_label": "SA-423131", "cosine_similarity": 0.3434952199459076 } }, { "source": "CID:19385000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "L-755507-tetrandrine similarity", "source_label": "L-755507", "target_label": "tetrandrine", "cosine_similarity": 0.3583989143371582 } }, { "source": "CID:2206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "phenazone-Y-27632 similarity", "source_label": "phenazone", "target_label": "Y-27632", "cosine_similarity": 0.3358869254589081 } }, { "source": "CID:73707575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125085", "properties": { "id": "MK-801-p-aminophenethylspiperone similarity", "source_label": "MK-801", "target_label": "p-aminophenethylspiperone", "cosine_similarity": 0.2445802390575409 } }, { "source": "CID:4235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "moclobemide-alizapride similarity", "source_label": "moclobemide", "target_label": "alizapride", "cosine_similarity": 0.3629166483879089 } }, { "source": "CID:45006157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "altrenogest-zolpidem similarity", "source_label": "altrenogest", "target_label": "zolpidem", "cosine_similarity": 0.2641903460025787 } }, { "source": "CID:73707453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24871028", "properties": { "id": "benzathine-nystatin similarity", "source_label": "benzathine", "target_label": "nystatin", "cosine_similarity": 0.1738961488008499 } }, { "source": "CID:135999136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "AT-CSC-18-SMER-28 similarity", "source_label": "AT-CSC-18", "target_label": "SMER-28", "cosine_similarity": 0.3940903544425964 } }, { "source": "CID:23418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502953", "properties": { "id": "ormetoprim-SD-6-035-B4 similarity", "source_label": "ormetoprim", "target_label": "SD-6-035-B4", "cosine_similarity": 0.2076147347688675 } }, { "source": "CID:4507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2343", "properties": { "id": "nitrendipine-benzthiazide similarity", "source_label": "nitrendipine", "target_label": "benzthiazide", "cosine_similarity": 0.3366462886333465 } }, { "source": "CID:173614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "GR-144053-tipiracil similarity", "source_label": "GR-144053", "target_label": "tipiracil", "cosine_similarity": 0.2868180572986603 } }, { "source": "CID:3248000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "3'-fluorobenzylspiperone-I-070759 similarity", "source_label": "3'-fluorobenzylspiperone", "target_label": "I-070759", "cosine_similarity": 0.5515581369400024 } }, { "source": "CID:50878566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3341", "properties": { "id": "S-ruxolitinib-fenoldopam similarity", "source_label": "S-ruxolitinib", "target_label": "fenoldopam", "cosine_similarity": 0.2493912428617477 } }, { "source": "CID:2208391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38409", "properties": { "id": "BJM-HSC2-10-tienilic-acid similarity", "source_label": "BJM-HSC2-10", "target_label": "tienilic-acid", "cosine_similarity": 0.3163534104824066 } }, { "source": "CID:73707428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "carbetocin-FTI-276 similarity", "source_label": "carbetocin", "target_label": "FTI-276", "cosine_similarity": 0.2787654399871826 } }, { "source": "CID:870371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320", "properties": { "id": "STK-222600-sulfacetamide similarity", "source_label": "STK-222600", "target_label": "sulfacetamide", "cosine_similarity": 0.2952334582805633 } }, { "source": "CID:87217390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5496659", "properties": { "id": "SU-014813-otamixaban similarity", "source_label": "SU-014813", "target_label": "otamixaban", "cosine_similarity": 0.398347407579422 } }, { "source": "CID:16061509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "bavisant-carglumic-acid similarity", "source_label": "bavisant", "target_label": "carglumic-acid", "cosine_similarity": 0.2958682775497436 } }, { "source": "CID:22416236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "KU-C103655-pifithrin-mu similarity", "source_label": "KU-C103655", "target_label": "pifithrin-mu", "cosine_similarity": 0.3888798952102661 } }, { "source": "CID:137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918314", "properties": { "id": "aminolevulinic-acid-vilazodone similarity", "source_label": "aminolevulinic-acid", "target_label": "vilazodone", "cosine_similarity": 0.3930387198925018 } }, { "source": "CID:941361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:300471", "properties": { "id": "flunarizine-elesclomol similarity", "source_label": "flunarizine", "target_label": "elesclomol", "cosine_similarity": 0.3248338401317596 } }, { "source": "CID:11656518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "RAF-265-sorafenib similarity", "source_label": "RAF-265", "target_label": "sorafenib", "cosine_similarity": 0.6508803367614746 } }, { "source": "CID:9844347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "CFM-1571-CCT-031374 similarity", "source_label": "CFM-1571", "target_label": "CCT-031374", "cosine_similarity": 0.3767615556716919 } }, { "source": "CID:23036271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46172903", "properties": { "id": "VU-0413255-1-VU-0418000-1 similarity", "source_label": "VU-0413255-1", "target_label": "VU-0418000-1", "cosine_similarity": 0.2099634557962417 } }, { "source": "CID:1794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3105", "properties": { "id": "hexamethyleneamiloride-dipivefrine similarity", "source_label": "hexamethyleneamiloride", "target_label": "dipivefrine", "cosine_similarity": 0.2202677279710769 } }, { "source": "CID:12492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "clopamide-dipyrocetyl similarity", "source_label": "clopamide", "target_label": "dipyrocetyl", "cosine_similarity": 0.2356029450893402 } }, { "source": "CID:3958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "lorazepam-CGS-21680 similarity", "source_label": "lorazepam", "target_label": "CGS-21680", "cosine_similarity": 0.5150719285011292 } }, { "source": "CID:4487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "nifenazone-MW-STK33-2B similarity", "source_label": "nifenazone", "target_label": "MW-STK33-2B", "cosine_similarity": 0.265336275100708 } }, { "source": "CID:5320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "sulfacetamide-RU-24969 similarity", "source_label": "sulfacetamide", "target_label": "RU-24969", "cosine_similarity": 0.3029408752918243 } }, { "source": "CID:124246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132449", "properties": { "id": "iguratimod-L-690330 similarity", "source_label": "iguratimod", "target_label": "L-690330", "cosine_similarity": 0.4613477885723114 } }, { "source": "CID:3036703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "zosuquidar-HG-6-64-01 similarity", "source_label": "zosuquidar", "target_label": "HG-6-64-01", "cosine_similarity": 0.3953673839569092 } }, { "source": "CID:6166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8982", "properties": { "id": "desoxycortone-nafcillin similarity", "source_label": "desoxycortone", "target_label": "nafcillin", "cosine_similarity": 0.2144159525632858 } }, { "source": "CID:441728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "deltaline-DL-TBOA similarity", "source_label": "deltaline", "target_label": "DL-TBOA", "cosine_similarity": 0.3265031278133392 } }, { "source": "CID:5394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "temozolomide-oxaprozin similarity", "source_label": "temozolomide", "target_label": "oxaprozin", "cosine_similarity": 0.4558424353599548 } }, { "source": "CID:3352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3342298", "properties": { "id": "fipronil-CTS-1027 similarity", "source_label": "fipronil", "target_label": "CTS-1027", "cosine_similarity": 0.3494700193405151 } }, { "source": "CID:44631078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "KU-C104337-K784-3187 similarity", "source_label": "KU-C104337", "target_label": "K784-3187", "cosine_similarity": 0.778836727142334 } }, { "source": "CID:11219195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "KU-C103658-sulforaphane similarity", "source_label": "KU-C103658", "target_label": "sulforaphane", "cosine_similarity": 0.2728980779647827 } }, { "source": "CID:46783527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "taurocholic-acid-gossypin similarity", "source_label": "taurocholic-acid", "target_label": "gossypin", "cosine_similarity": 0.3385662734508514 } }, { "source": "CID:54658423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-1460008-SA-1463838 similarity", "source_label": "SA-1460008", "target_label": "SA-1463838", "cosine_similarity": 0.406255304813385 } }, { "source": "CID:3546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "HA-1004-CGS-21680 similarity", "source_label": "HA-1004", "target_label": "CGS-21680", "cosine_similarity": 0.3219704031944275 } }, { "source": "CID:23760135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "ungerine-zebularine similarity", "source_label": "ungerine", "target_label": "zebularine", "cosine_similarity": 0.2364982515573501 } }, { "source": "CID:688561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "procaterol-CGS-21680 similarity", "source_label": "procaterol", "target_label": "CGS-21680", "cosine_similarity": 0.5400494337081909 } }, { "source": "CID:53484654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16231", "properties": { "id": "tetrahydrobiopterin-amiloride similarity", "source_label": "tetrahydrobiopterin", "target_label": "amiloride", "cosine_similarity": 0.2317007631063461 } }, { "source": "CID:54654428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492693", "properties": { "id": "SA-1472623-SA-84869 similarity", "source_label": "SA-1472623", "target_label": "SA-84869", "cosine_similarity": 0.2448068708181381 } }, { "source": "CID:637863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "S-18986-sofalcone similarity", "source_label": "S-18986", "target_label": "sofalcone", "cosine_similarity": 0.5143235921859741 } }, { "source": "CID:12560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "erythromycin-aminocaproic-acid similarity", "source_label": "erythromycin", "target_label": "aminocaproic-acid", "cosine_similarity": 0.3612728118896484 } }, { "source": "CID:73707543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1025-BG-1003 similarity", "source_label": "BG-1025", "target_label": "BG-1003", "cosine_similarity": 0.4043254256248474 } }, { "source": "CID:57946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "tenidap-finasteride similarity", "source_label": "tenidap", "target_label": "finasteride", "cosine_similarity": 0.4063081443309784 } }, { "source": "CID:5702106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "prednisolone-dexamethasone similarity", "source_label": "prednisolone", "target_label": "dexamethasone", "cosine_similarity": 0.4040760695934295 } }, { "source": "CID:9956146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108107", "properties": { "id": "JDTic-benzamil similarity", "source_label": "JDTic", "target_label": "benzamil", "cosine_similarity": 0.2370114773511886 } }, { "source": "CID:4658599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29327", "properties": { "id": "VU-0447134-2-streptozotocin similarity", "source_label": "VU-0447134-2", "target_label": "streptozotocin", "cosine_similarity": 0.2434038519859314 } }, { "source": "CID:19675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "piperacetazine-DAC-004 similarity", "source_label": "piperacetazine", "target_label": "DAC-004", "cosine_similarity": 0.2547869682312011 } }, { "source": "CID:53025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71234", "properties": { "id": "cefotetan-nicaraven similarity", "source_label": "cefotetan", "target_label": "nicaraven", "cosine_similarity": 0.3226110637187958 } }, { "source": "CID:5244802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "BRL-52537-Gossypetin similarity", "source_label": "BRL-52537", "target_label": "Gossypetin", "cosine_similarity": 0.3011670708656311 } }, { "source": "CID:6009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2355", "properties": { "id": "amidopyrine-bergapten similarity", "source_label": "amidopyrine", "target_label": "bergapten", "cosine_similarity": 0.7774559855461121 } }, { "source": "CID:8480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:152946", "properties": { "id": "carbarsone-moxifloxacin similarity", "source_label": "carbarsone", "target_label": "moxifloxacin", "cosine_similarity": 0.2521035075187683 } }, { "source": "CID:9951687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "methyl-fasudil-MW-STK33-97 similarity", "source_label": "methyl-fasudil", "target_label": "MW-STK33-97", "cosine_similarity": 0.8352547287940979 } }, { "source": "CID:44591583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10635", "properties": { "id": "AN-2728-dihydrotestosterone similarity", "source_label": "AN-2728", "target_label": "dihydrotestosterone", "cosine_similarity": 0.1856952756643295 } }, { "source": "CID:91469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446598", "properties": { "id": "equol-clindamycin similarity", "source_label": "equol", "target_label": "clindamycin", "cosine_similarity": 0.3268175423145294 } }, { "source": "CID:44828477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "KUC104542N-T-5345967 similarity", "source_label": "KUC104542N", "target_label": "T-5345967", "cosine_similarity": 0.2783904373645782 } }, { "source": "CID:6890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "gramine-iodoquinol similarity", "source_label": "gramine", "target_label": "iodoquinol", "cosine_similarity": 0.5010122656822205 } }, { "source": "CID:338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "salicylic-acid-levosulpiride similarity", "source_label": "salicylic-acid", "target_label": "levosulpiride", "cosine_similarity": 0.2342878431081771 } }, { "source": "CID:68210102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "GSK-2816126-CV-1808 similarity", "source_label": "GSK-2816126", "target_label": "CV-1808", "cosine_similarity": 0.4163704216480255 } }, { "source": "CID:45259136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67243342", "properties": { "id": "VU-0415010-TUL-XIX029 similarity", "source_label": "VU-0415010", "target_label": "TUL-XIX029", "cosine_similarity": 0.3043675124645233 } }, { "source": "CID:31373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "tetrachloroethylene-chloroquine similarity", "source_label": "tetrachloroethylene", "target_label": "chloroquine", "cosine_similarity": 0.2703354060649872 } }, { "source": "CID:6128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "androstenedione-FTI-276 similarity", "source_label": "androstenedione", "target_label": "FTI-276", "cosine_similarity": 0.3024725615978241 } }, { "source": "CID:65889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5819", "properties": { "id": "apafant-levothyroxine similarity", "source_label": "apafant", "target_label": "levothyroxine", "cosine_similarity": 0.4319387972354889 } }, { "source": "CID:44287635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19001", "properties": { "id": "6-nitronorepinephrine-dithiothreitol similarity", "source_label": "6-nitronorepinephrine", "target_label": "dithiothreitol", "cosine_similarity": 0.2096675634384155 } }, { "source": "CID:24747195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "PSH-026-PSH-003 similarity", "source_label": "PSH-026", "target_label": "PSH-003", "cosine_similarity": 0.2766047120094299 } }, { "source": "CID:54685921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "hispidin-ITSA-1 similarity", "source_label": "hispidin", "target_label": "ITSA-1", "cosine_similarity": 0.2281847596168518 } }, { "source": "CID:9913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "xanthinol-phenoxazine similarity", "source_label": "xanthinol", "target_label": "phenoxazine", "cosine_similarity": 0.2335096150636673 } }, { "source": "CID:16741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "phenethyl-isothiocyanate-BAY-11-7082 similarity", "source_label": "phenethyl-isothiocyanate", "target_label": "BAY-11-7082", "cosine_similarity": 0.5904605984687805 } }, { "source": "CID:5190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220172", "properties": { "id": "DPI-201106-ivacaftor similarity", "source_label": "DPI-201106", "target_label": "ivacaftor", "cosine_similarity": 0.3847741484642029 } }, { "source": "CID:51003716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "CVF-SUMO-11-CVF-SUMO-7 similarity", "source_label": "CVF-SUMO-11", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.7844336628913879 } }, { "source": "CID:10947895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3386", "properties": { "id": "paroxetine-fluoxetine similarity", "source_label": "paroxetine", "target_label": "fluoxetine", "cosine_similarity": 0.5096659660339355 } }, { "source": "CID:3467590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:95801", "properties": { "id": "STO-609-BTS similarity", "source_label": "STO-609", "target_label": "BTS", "cosine_similarity": 0.2844398617744446 } }, { "source": "CID:2083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26757", "properties": { "id": "salbutamol-selegiline similarity", "source_label": "salbutamol", "target_label": "selegiline", "cosine_similarity": 0.2674483954906463 } }, { "source": "CID:44484239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657678", "properties": { "id": "SA-90153-SA-1456443 similarity", "source_label": "SA-90153", "target_label": "SA-1456443", "cosine_similarity": 0.2878458499908447 } }, { "source": "CID:412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "nornicotine-macitentan similarity", "source_label": "nornicotine", "target_label": "macitentan", "cosine_similarity": 0.382210910320282 } }, { "source": "CID:9911830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "tivozanib-fostamatinib similarity", "source_label": "tivozanib", "target_label": "fostamatinib", "cosine_similarity": 0.4848667681217193 } }, { "source": "CID:5702063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "guanaben-acetate-tiapride similarity", "source_label": "guanaben-acetate", "target_label": "tiapride", "cosine_similarity": 0.4485759735107422 } }, { "source": "CID:638034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "retinyl-cerulenin similarity", "source_label": "retinyl", "target_label": "cerulenin", "cosine_similarity": 0.2342161536216735 } }, { "source": "CID:5280804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "isoquercetin-amiodarone similarity", "source_label": "isoquercetin", "target_label": "amiodarone", "cosine_similarity": 0.2725163400173187 } }, { "source": "CID:3074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16722836", "properties": { "id": "dilazep-TG-101348 similarity", "source_label": "dilazep", "target_label": "TG-101348", "cosine_similarity": 0.3072018325328827 } }, { "source": "CID:564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "aminocaproic-acid-lorcaserin similarity", "source_label": "aminocaproic-acid", "target_label": "lorcaserin", "cosine_similarity": 0.4220959842205047 } }, { "source": "CID:4630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54671008", "properties": { "id": "oxotremorine-sesquifumarate-raltegravir similarity", "source_label": "oxotremorine-sesquifumarate", "target_label": "raltegravir", "cosine_similarity": 0.2262520939111709 } }, { "source": "CID:16129666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "thiostrepton-NSC-3852 similarity", "source_label": "thiostrepton", "target_label": "NSC-3852", "cosine_similarity": 0.7897540926933289 } }, { "source": "CID:21785456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "KU-C103869-UB-165 similarity", "source_label": "KU-C103869", "target_label": "UB-165", "cosine_similarity": 0.3265525698661804 } }, { "source": "CID:17134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018928", "properties": { "id": "sulfadoxine-sulpiride similarity", "source_label": "sulfadoxine", "target_label": "sulpiride", "cosine_similarity": 0.4967212677001953 } }, { "source": "CID:449381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "oseltamivir-carboxylate-ibutamoren similarity", "source_label": "oseltamivir-carboxylate", "target_label": "ibutamoren", "cosine_similarity": 0.3926056921482086 } }, { "source": "CID:4913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "procainamide-dorzolamide similarity", "source_label": "procainamide", "target_label": "dorzolamide", "cosine_similarity": 0.3857512772083282 } }, { "source": "CID:54667764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483817", "properties": { "id": "SA-1920756-SA-102096 similarity", "source_label": "SA-1920756", "target_label": "SA-102096", "cosine_similarity": 0.3181426227092743 } }, { "source": "CID:210332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914946", "properties": { "id": "reversine-GSK-2126458 similarity", "source_label": "reversine", "target_label": "GSK-2126458", "cosine_similarity": 0.4505670964717865 } }, { "source": "CID:126402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "PRE-084-FTI-276 similarity", "source_label": "PRE-084", "target_label": "FTI-276", "cosine_similarity": 0.2533472180366516 } }, { "source": "CID:23637804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "ceforanide-proxyphylline similarity", "source_label": "ceforanide", "target_label": "proxyphylline", "cosine_similarity": 0.2412907481193542 } }, { "source": "CID:16351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "clotiapine-flumethasone-pivalate similarity", "source_label": "clotiapine", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.3408041000366211 } }, { "source": "CID:2566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "carbofuran-PT-630 similarity", "source_label": "carbofuran", "target_label": "PT-630", "cosine_similarity": 0.3129430711269378 } }, { "source": "CID:82755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6437068", "properties": { "id": "hydroxytyrosol-enevalproate similarity", "source_label": "hydroxytyrosol", "target_label": "enevalproate", "cosine_similarity": 0.2153002470731735 } }, { "source": "CID:2755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "cimaterol-amikacin similarity", "source_label": "cimaterol", "target_label": "amikacin", "cosine_similarity": 0.3306003212928772 } }, { "source": "CID:44492098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "SA-427543-APO-866 similarity", "source_label": "SA-427543", "target_label": "APO-866", "cosine_similarity": 0.3906721770763397 } }, { "source": "CID:91668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "nomegestrol-acetate-pemetrexed similarity", "source_label": "nomegestrol-acetate", "target_label": "pemetrexed", "cosine_similarity": 0.2543471455574035 } }, { "source": "CID:35028748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:639665", "properties": { "id": "CAY-10585-xanthohumol similarity", "source_label": "CAY-10585", "target_label": "xanthohumol", "cosine_similarity": 0.2611560821533203 } }, { "source": "CID:25099184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11442891", "properties": { "id": "AZ-960-danusertib similarity", "source_label": "AZ-960", "target_label": "danusertib", "cosine_similarity": 0.3569894433021545 } }, { "source": "CID:9905190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "CDC-sibutramine similarity", "source_label": "CDC", "target_label": "sibutramine", "cosine_similarity": 0.2733284831047058 } }, { "source": "CID:5458428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "cytochalasin-d-GR-127935 similarity", "source_label": "cytochalasin-d", "target_label": "GR-127935", "cosine_similarity": 0.4401351511478424 } }, { "source": "CID:73707358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "debrisoquine-MW-STK33-97 similarity", "source_label": "debrisoquine", "target_label": "MW-STK33-97", "cosine_similarity": 0.2413543462753296 } }, { "source": "CID:6419755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "PKCbeta-inhibitor-SB-216763 similarity", "source_label": "PKCbeta-inhibitor", "target_label": "SB-216763", "cosine_similarity": 0.6107431650161743 } }, { "source": "CID:3287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439504", "properties": { "id": "ethionamide-tylosin similarity", "source_label": "ethionamide", "target_label": "tylosin", "cosine_similarity": 0.2086768001317978 } }, { "source": "CID:25254071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "GDC-0980-NVP-BEZ235 similarity", "source_label": "GDC-0980", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7850014567375183 } }, { "source": "CID:73707560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "DASB-methyl-fasudil similarity", "source_label": "DASB", "target_label": "methyl-fasudil", "cosine_similarity": 0.2006241530179977 } }, { "source": "CID:6253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457964", "properties": { "id": "cytarabine-aphidicolin similarity", "source_label": "cytarabine", "target_label": "aphidicolin", "cosine_similarity": 0.6068600416183472 } }, { "source": "CID:243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "benzoic-acid-anethole similarity", "source_label": "benzoic-acid", "target_label": "anethole", "cosine_similarity": 0.4605261385440826 } }, { "source": "CID:54654441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654463", "properties": { "id": "SA-1480001-SA-1472542 similarity", "source_label": "SA-1480001", "target_label": "SA-1472542", "cosine_similarity": 0.2335214018821716 } }, { "source": "CID:644076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109823", "properties": { "id": "lypressin-AS-601245 similarity", "source_label": "lypressin", "target_label": "AS-601245", "cosine_similarity": 0.2423150092363357 } }, { "source": "CID:44494528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "SA-424763-ST-022313 similarity", "source_label": "SA-424763", "target_label": "ST-022313", "cosine_similarity": 0.2522953450679779 } }, { "source": "CID:42433517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "baicalin-sacubitril similarity", "source_label": "baicalin", "target_label": "sacubitril", "cosine_similarity": 0.2819381952285766 } }, { "source": "CID:56973724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:454217", "properties": { "id": "AZ-3146-prostratin similarity", "source_label": "AZ-3146", "target_label": "prostratin", "cosine_similarity": 0.3669412732124328 } }, { "source": "CID:3760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "isoconazole-ibutamoren similarity", "source_label": "isoconazole", "target_label": "ibutamoren", "cosine_similarity": 0.325625330209732 } }, { "source": "CID:130325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "SA-792709-K784-3131 similarity", "source_label": "SA-792709", "target_label": "K784-3131", "cosine_similarity": 0.7097647786140442 } }, { "source": "CID:104850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "rimonabant-berberine similarity", "source_label": "rimonabant", "target_label": "berberine", "cosine_similarity": 0.4329610764980316 } }, { "source": "CID:4687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "paraxanthine-oleoylethanolamide similarity", "source_label": "paraxanthine", "target_label": "oleoylethanolamide", "cosine_similarity": 0.3145693838596344 } }, { "source": "CID:442793", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108094", "properties": { "id": "gingerol-RX-821002 similarity", "source_label": "gingerol", "target_label": "RX-821002", "cosine_similarity": 0.2718055546283722 } }, { "source": "CID:44483335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "GW-311616-evoxine similarity", "source_label": "GW-311616", "target_label": "evoxine", "cosine_similarity": 0.258610725402832 } }, { "source": "CID:3338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5709", "properties": { "id": "fenipentol-xylometazoline similarity", "source_label": "fenipentol", "target_label": "xylometazoline", "cosine_similarity": 0.2434294819831848 } }, { "source": "CID:10223146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24069689", "properties": { "id": "JTE-013-mocimycin similarity", "source_label": "JTE-013", "target_label": "mocimycin", "cosine_similarity": 0.2384586334228515 } }, { "source": "CID:2905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "cyclopentolate-alda-1 similarity", "source_label": "cyclopentolate", "target_label": "alda-1", "cosine_similarity": 0.2715660035610199 } }, { "source": "CID:3291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353842", "properties": { "id": "ethosuximide-OBAA similarity", "source_label": "ethosuximide", "target_label": "OBAA", "cosine_similarity": 0.1992509365081787 } }, { "source": "CID:5329098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "semaxanib-alitretinoin similarity", "source_label": "semaxanib", "target_label": "alitretinoin", "cosine_similarity": 0.2491567134857177 } }, { "source": "CID:6918837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "panobinostat-dacinostat similarity", "source_label": "panobinostat", "target_label": "dacinostat", "cosine_similarity": 0.8440876603126526 } }, { "source": "CID:73707617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6769", "properties": { "id": "glutamyldopamine-syrosingopine similarity", "source_label": "glutamyldopamine", "target_label": "syrosingopine", "cosine_similarity": 0.1795273870229721 } }, { "source": "CID:4927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "promethazine-evodiamine similarity", "source_label": "promethazine", "target_label": "evodiamine", "cosine_similarity": 0.3399959504604339 } }, { "source": "CID:49843099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657730", "properties": { "id": "SA-441350-SA-1458450 similarity", "source_label": "SA-441350", "target_label": "SA-1458450", "cosine_similarity": 0.2768725156784057 } }, { "source": "CID:9936746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "OTX-015-bromosporine similarity", "source_label": "OTX-015", "target_label": "bromosporine", "cosine_similarity": 0.8143479824066162 } }, { "source": "CID:657255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "suloctidil-RS-17053 similarity", "source_label": "suloctidil", "target_label": "RS-17053", "cosine_similarity": 0.7134699821472168 } }, { "source": "CID:6918456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65016", "properties": { "id": "prasugrel-amprenavir similarity", "source_label": "prasugrel", "target_label": "amprenavir", "cosine_similarity": 0.2988694012165069 } }, { "source": "CID:124007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "CP-93129-zebularine similarity", "source_label": "CP-93129", "target_label": "zebularine", "cosine_similarity": 0.2430444806814193 } }, { "source": "CID:135925261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "rifampicin-iguratimod similarity", "source_label": "rifampicin", "target_label": "iguratimod", "cosine_similarity": 0.2616109848022461 } }, { "source": "CID:4413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "nafamostat-sofalcone similarity", "source_label": "nafamostat", "target_label": "sofalcone", "cosine_similarity": 0.4348790347576141 } }, { "source": "CID:363863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "maackiain-KU-C104137 similarity", "source_label": "maackiain", "target_label": "KU-C104137", "cosine_similarity": 0.4170581102371216 } }, { "source": "CID:2724354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "dimercaptosuccinic-acid-meclofenamic-acid similarity", "source_label": "dimercaptosuccinic-acid", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3740802109241485 } }, { "source": "CID:4284525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "GR-135531-N-methylquipazine similarity", "source_label": "GR-135531", "target_label": "N-methylquipazine", "cosine_similarity": 0.2084653824567794 } }, { "source": "CID:11054313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "KU-C103867-AG-957 similarity", "source_label": "KU-C103867", "target_label": "AG-957", "cosine_similarity": 0.4341242015361786 } }, { "source": "CID:54666590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-1922959-SA-1920722 similarity", "source_label": "SA-1922959", "target_label": "SA-1920722", "cosine_similarity": 0.3273713588714599 } }, { "source": "CID:4514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433109", "properties": { "id": "nizofenone-XBD-173 similarity", "source_label": "nizofenone", "target_label": "XBD-173", "cosine_similarity": 0.343378335237503 } }, { "source": "CID:154257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "bazedoxifene-STA-5326 similarity", "source_label": "bazedoxifene", "target_label": "STA-5326", "cosine_similarity": 0.3911649882793426 } }, { "source": "CID:6708539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "rotenonic-acid-meropenem similarity", "source_label": "rotenonic-acid", "target_label": "meropenem", "cosine_similarity": 0.2201417982578277 } }, { "source": "CID:46854655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "AMG-837-probucol similarity", "source_label": "AMG-837", "target_label": "probucol", "cosine_similarity": 0.2592731714248657 } }, { "source": "CID:64971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "betulinic-acid-sarcosine similarity", "source_label": "betulinic-acid", "target_label": "sarcosine", "cosine_similarity": 0.3572963178157806 } }, { "source": "CID:54658692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666595", "properties": { "id": "SA-1458163-SA-1921085 similarity", "source_label": "SA-1458163", "target_label": "SA-1921085", "cosine_similarity": 0.2687903642654419 } }, { "source": "CID:2868392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "NECA-LY-255283 similarity", "source_label": "NECA", "target_label": "LY-255283", "cosine_similarity": 0.3284581899642944 } }, { "source": "CID:60835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "duloxetine-dorzolamide similarity", "source_label": "duloxetine", "target_label": "dorzolamide", "cosine_similarity": 0.3153741061687469 } }, { "source": "CID:5388962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "enalapril-ozagrel similarity", "source_label": "enalapril", "target_label": "ozagrel", "cosine_similarity": 0.3771573901176452 } }, { "source": "CID:10219702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1853", "properties": { "id": "DR-2313-phenanthridone similarity", "source_label": "DR-2313", "target_label": "phenanthridone", "cosine_similarity": 0.3978156149387359 } }, { "source": "CID:2040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "afloqualone-palovarotene similarity", "source_label": "afloqualone", "target_label": "palovarotene", "cosine_similarity": 0.3536872267723083 } }, { "source": "CID:4581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "octopamine-triprolidine similarity", "source_label": "octopamine", "target_label": "triprolidine", "cosine_similarity": 0.2066609412431717 } }, { "source": "CID:50922681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23727689", "properties": { "id": "NSI-189-almorexant similarity", "source_label": "NSI-189", "target_label": "almorexant", "cosine_similarity": 0.2910449802875519 } }, { "source": "CID:5052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "mepireserpate-MK-212 similarity", "source_label": "mepireserpate", "target_label": "MK-212", "cosine_similarity": 0.6264159083366394 } }, { "source": "CID:54445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121891", "properties": { "id": "castanospermine-mitiglinide similarity", "source_label": "castanospermine", "target_label": "mitiglinide", "cosine_similarity": 0.4206815063953399 } }, { "source": "CID:8569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "dioxybenzone-pepstatin similarity", "source_label": "dioxybenzone", "target_label": "pepstatin", "cosine_similarity": 0.22541144490242 } }, { "source": "CID:44630541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946732", "properties": { "id": "KU-C104253-STK-111867 similarity", "source_label": "KU-C104253", "target_label": "STK-111867", "cosine_similarity": 0.2333451062440872 } }, { "source": "CID:22752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "lobendazole-meloxicam similarity", "source_label": "lobendazole", "target_label": "meloxicam", "cosine_similarity": 0.2420178651809692 } }, { "source": "CID:73707462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "alfadolone-RU-24969 similarity", "source_label": "alfadolone", "target_label": "RU-24969", "cosine_similarity": 0.2320129573345184 } }, { "source": "CID:54658215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "SA-1457103-SA-1457336 similarity", "source_label": "SA-1457103", "target_label": "SA-1457336", "cosine_similarity": 0.3054316639900207 } }, { "source": "CID:5717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "zafirlukast-bicalutamide similarity", "source_label": "zafirlukast", "target_label": "bicalutamide", "cosine_similarity": 0.3681235313415527 } }, { "source": "CID:2343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216327", "properties": { "id": "benzthiazide-senicapoc similarity", "source_label": "benzthiazide", "target_label": "senicapoc", "cosine_similarity": 0.374000608921051 } }, { "source": "CID:441029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5904", "properties": { "id": "fosfomycin-benzylpenicillin similarity", "source_label": "fosfomycin", "target_label": "benzylpenicillin", "cosine_similarity": 0.3255070447921753 } }, { "source": "CID:73707426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "alfacalcidol-AG-879 similarity", "source_label": "alfacalcidol", "target_label": "AG-879", "cosine_similarity": 0.3947287797927856 } }, { "source": "CID:16004692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "macitentan-gliclazide similarity", "source_label": "macitentan", "target_label": "gliclazide", "cosine_similarity": 0.7502368688583374 } }, { "source": "CID:10127622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "selumetinib-trametinib similarity", "source_label": "selumetinib", "target_label": "trametinib", "cosine_similarity": 0.921485185623169 } }, { "source": "CID:47472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54766", "properties": { "id": "butoconazole-bambuterol similarity", "source_label": "butoconazole", "target_label": "bambuterol", "cosine_similarity": 0.3762535154819488 } }, { "source": "CID:38945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "tocainide-BMS-191011 similarity", "source_label": "tocainide", "target_label": "BMS-191011", "cosine_similarity": 0.3445309996604919 } }, { "source": "CID:10410310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "tetracycline-vemurafenib similarity", "source_label": "tetracycline", "target_label": "vemurafenib", "cosine_similarity": 0.5527739524841309 } }, { "source": "CID:2946732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "STK-111867-BMS-641988 similarity", "source_label": "STK-111867", "target_label": "BMS-641988", "cosine_similarity": 0.2889559268951416 } }, { "source": "CID:135412158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133076", "properties": { "id": "OM-137-RS-67506 similarity", "source_label": "OM-137", "target_label": "RS-67506", "cosine_similarity": 0.2388565242290496 } }, { "source": "CID:5287953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "tipiracil-clozapine similarity", "source_label": "tipiracil", "target_label": "clozapine", "cosine_similarity": 0.504555344581604 } }, { "source": "CID:5362440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "indinavir-gatifloxacin similarity", "source_label": "indinavir", "target_label": "gatifloxacin", "cosine_similarity": 0.5055748820304871 } }, { "source": "CID:42642648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "ARRY-334543-sacubitril similarity", "source_label": "ARRY-334543", "target_label": "sacubitril", "cosine_similarity": 0.3151867687702179 } }, { "source": "CID:3019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "diazoxide-clofibric-acid similarity", "source_label": "diazoxide", "target_label": "clofibric-acid", "cosine_similarity": 0.550696611404419 } }, { "source": "CID:9939609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6444692", "properties": { "id": "darapladib-mubritinib similarity", "source_label": "darapladib", "target_label": "mubritinib", "cosine_similarity": 0.3438560366630554 } }, { "source": "CID:38409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4567", "properties": { "id": "tienilic-acid-buphenine similarity", "source_label": "tienilic-acid", "target_label": "buphenine", "cosine_similarity": 0.2586388885974884 } }, { "source": "CID:53245442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "TUL-XX025TFA-ST-059620 similarity", "source_label": "TUL-XX025TFA", "target_label": "ST-059620", "cosine_similarity": 0.4190156757831573 } }, { "source": "CID:1716436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747193", "properties": { "id": "JMW-MITF1-JAS07-005 similarity", "source_label": "JMW-MITF1", "target_label": "JAS07-005", "cosine_similarity": 0.3104575276374817 } }, { "source": "CID:16759369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1400", "properties": { "id": "ZM-323881-PP-1 similarity", "source_label": "ZM-323881", "target_label": "PP-1", "cosine_similarity": 0.2328086346387863 } }, { "source": "CID:5417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "tetrahydropalmatine-phenothiazine similarity", "source_label": "tetrahydropalmatine", "target_label": "phenothiazine", "cosine_similarity": 0.265444815158844 } }, { "source": "CID:3250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ergometrine-gossypin similarity", "source_label": "ergometrine", "target_label": "gossypin", "cosine_similarity": 0.3082477450370788 } }, { "source": "CID:2585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "carvedilol-grazoprevir similarity", "source_label": "carvedilol", "target_label": "grazoprevir", "cosine_similarity": 0.4192207753658294 } }, { "source": "CID:4806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "phthalylsulfathiazole-Gossypetin similarity", "source_label": "phthalylsulfathiazole", "target_label": "Gossypetin", "cosine_similarity": 0.2506736218929291 } }, { "source": "CID:27200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "thiamphenicol-SA-1459714 similarity", "source_label": "thiamphenicol", "target_label": "SA-1459714", "cosine_similarity": 0.1704180240631103 } }, { "source": "CID:16395057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "pinitol-metamizole similarity", "source_label": "pinitol", "target_label": "metamizole", "cosine_similarity": 0.3365832567214966 } }, { "source": "CID:4828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "pindolol-honokiol similarity", "source_label": "pindolol", "target_label": "honokiol", "cosine_similarity": 0.4894705414772033 } }, { "source": "CID:16117018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2162", "properties": { "id": "KU-60019-amlodipine similarity", "source_label": "KU-60019", "target_label": "amlodipine", "cosine_similarity": 0.3548586368560791 } }, { "source": "CID:9850876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "SR-33805-alizapride similarity", "source_label": "SR-33805", "target_label": "alizapride", "cosine_similarity": 0.4902430772781372 } }, { "source": "CID:36273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:598", "properties": { "id": "mecillinam-mesna similarity", "source_label": "mecillinam", "target_label": "mesna", "cosine_similarity": 0.2349165976047516 } }, { "source": "CID:25199517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "WAY-262611-CGP-71683 similarity", "source_label": "WAY-262611", "target_label": "CGP-71683", "cosine_similarity": 0.402133584022522 } }, { "source": "CID:4168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216327", "properties": { "id": "metoclopramide-senicapoc similarity", "source_label": "metoclopramide", "target_label": "senicapoc", "cosine_similarity": 0.3107058703899383 } }, { "source": "CID:5083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "bisindolylmaleimide-ix-CGP-60474 similarity", "source_label": "bisindolylmaleimide-ix", "target_label": "CGP-60474", "cosine_similarity": 0.735281765460968 } }, { "source": "CID:41867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "epirubicin-mitoxantrone similarity", "source_label": "epirubicin", "target_label": "mitoxantrone", "cosine_similarity": 0.7549594640731812 } }, { "source": "CID:46191176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688561", "properties": { "id": "aminoresveratrol-procaterol similarity", "source_label": "aminoresveratrol", "target_label": "procaterol", "cosine_similarity": 0.2525436878204345 } }, { "source": "CID:3519541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167683", "properties": { "id": "CGP-13501-leucodin similarity", "source_label": "CGP-13501", "target_label": "leucodin", "cosine_similarity": 0.2895636558532715 } }, { "source": "CID:10783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "clomethiazole-E-2012 similarity", "source_label": "clomethiazole", "target_label": "E-2012", "cosine_similarity": 0.3984929323196411 } }, { "source": "CID:709391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:766949", "properties": { "id": "MW-STK33-2A-JNK-IN-5A similarity", "source_label": "MW-STK33-2A", "target_label": "JNK-IN-5A", "cosine_similarity": 0.3877840340137481 } }, { "source": "CID:5452", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "thioridazine-obatoclax similarity", "source_label": "thioridazine", "target_label": "obatoclax", "cosine_similarity": 0.739727795124054 } }, { "source": "CID:73707538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707549", "properties": { "id": "BG-1009-BG-1010 similarity", "source_label": "BG-1009", "target_label": "BG-1010", "cosine_similarity": 0.4027065932750702 } }, { "source": "CID:58144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "indolophenanthridine-etoposide similarity", "source_label": "indolophenanthridine", "target_label": "etoposide", "cosine_similarity": 0.3111666738986969 } }, { "source": "CID:4107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123683", "properties": { "id": "methocarbamol-IB-MECA similarity", "source_label": "methocarbamol", "target_label": "IB-MECA", "cosine_similarity": 0.4675622284412384 } }, { "source": "CID:3081027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "OCO-1112-diphenylpyraline similarity", "source_label": "OCO-1112", "target_label": "diphenylpyraline", "cosine_similarity": 0.2740148603916168 } }, { "source": "CID:6477762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "NSC-632839-thiostrepton similarity", "source_label": "NSC-632839", "target_label": "thiostrepton", "cosine_similarity": 0.8179596066474915 } }, { "source": "CID:135398516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "OSI-027-KU-0063794 similarity", "source_label": "OSI-027", "target_label": "KU-0063794", "cosine_similarity": 0.8078323006629944 } }, { "source": "CID:5597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "troxipide-KU-C104248 similarity", "source_label": "troxipide", "target_label": "KU-C104248", "cosine_similarity": 0.2408811300992965 } }, { "source": "CID:5287855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "AS-604850-brivanib similarity", "source_label": "AS-604850", "target_label": "brivanib", "cosine_similarity": 0.229731947183609 } }, { "source": "CID:54654441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "SA-1480001-DMNB similarity", "source_label": "SA-1480001", "target_label": "DMNB", "cosine_similarity": 0.2226282954216003 } }, { "source": "CID:54666566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549289", "properties": { "id": "SA-1922257-TWS-119 similarity", "source_label": "SA-1922257", "target_label": "TWS-119", "cosine_similarity": 0.2683699429035187 } }, { "source": "CID:3571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918837", "properties": { "id": "HC-toxin-panobinostat similarity", "source_label": "HC-toxin", "target_label": "panobinostat", "cosine_similarity": 0.8746669292449951 } }, { "source": "CID:44501814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "SA-103006-L-ergothioneine similarity", "source_label": "SA-103006", "target_label": "L-ergothioneine", "cosine_similarity": 0.3193538784980774 } }, { "source": "CID:2724385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702041", "properties": { "id": "digoxin-digitoxin similarity", "source_label": "digoxin", "target_label": "digitoxin", "cosine_similarity": 0.930797278881073 } }, { "source": "CID:6603901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "L-2167-GW-9508 similarity", "source_label": "L-2167", "target_label": "GW-9508", "cosine_similarity": 0.2824119925498962 } }, { "source": "CID:23976270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5036604", "properties": { "id": "JPR-3-97-17-eugenitol similarity", "source_label": "JPR-3-97-17", "target_label": "eugenitol", "cosine_similarity": 0.2930231690406799 } }, { "source": "CID:5283393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604889", "properties": { "id": "arachidonamide-SB-269970 similarity", "source_label": "arachidonamide", "target_label": "SB-269970", "cosine_similarity": 0.2957048416137695 } }, { "source": "CID:115348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "2-iodomelatonin-chloroxylenol similarity", "source_label": "2-iodomelatonin", "target_label": "chloroxylenol", "cosine_similarity": 0.3909095823764801 } }, { "source": "CID:73333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "amperozide-CHEMBL-374350 similarity", "source_label": "amperozide", "target_label": "CHEMBL-374350", "cosine_similarity": 0.330804705619812 } }, { "source": "CID:44602405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "KU-C104132-SA-89735 similarity", "source_label": "KU-C104132", "target_label": "SA-89735", "cosine_similarity": 0.2448491305112838 } }, { "source": "CID:77918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "1-benzylimidazole-cortisone similarity", "source_label": "1-benzylimidazole", "target_label": "cortisone", "cosine_similarity": 0.3585360646247864 } }, { "source": "CID:96946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "lobelanidine-guanabenz similarity", "source_label": "lobelanidine", "target_label": "guanabenz", "cosine_similarity": 0.3291324079036712 } }, { "source": "CID:119034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "asiatic-acid-L-ergothioneine similarity", "source_label": "asiatic-acid", "target_label": "L-ergothioneine", "cosine_similarity": 0.5425546765327454 } }, { "source": "CID:37393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667511", "properties": { "id": "halofantrine-tramadol similarity", "source_label": "halofantrine", "target_label": "tramadol", "cosine_similarity": 0.3801817595958709 } }, { "source": "CID:3316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3002120", "properties": { "id": "exalamide-sulbutiamine similarity", "source_label": "exalamide", "target_label": "sulbutiamine", "cosine_similarity": 0.3397735357284546 } }, { "source": "CID:25124826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "PSB-06126-RK-682 similarity", "source_label": "PSB-06126", "target_label": "RK-682", "cosine_similarity": 0.2807483077049255 } }, { "source": "CID:5287953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "tipiracil-estramustine-phosphate similarity", "source_label": "tipiracil", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4800484478473663 } }, { "source": "CID:443943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "halcinonide-methylprednisolone similarity", "source_label": "halcinonide", "target_label": "methylprednisolone", "cosine_similarity": 0.6921166777610779 } }, { "source": "CID:60910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "mifobate-actarit similarity", "source_label": "mifobate", "target_label": "actarit", "cosine_similarity": 0.4384262859821319 } }, { "source": "CID:9600409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "CITCO-SA-441487 similarity", "source_label": "CITCO", "target_label": "SA-441487", "cosine_similarity": 0.2297547757625579 } }, { "source": "CID:46893585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457964", "properties": { "id": "AZD-3514-aphidicolin similarity", "source_label": "AZD-3514", "target_label": "aphidicolin", "cosine_similarity": 0.3741180896759033 } }, { "source": "CID:56965963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "KIN001-242-TAK-715 similarity", "source_label": "KIN001-242", "target_label": "TAK-715", "cosine_similarity": 0.3742764294147491 } }, { "source": "CID:5918561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:695347", "properties": { "id": "ST-024029-ST-4039884 similarity", "source_label": "ST-024029", "target_label": "ST-4039884", "cosine_similarity": 0.2943412065505981 } }, { "source": "CID:16654980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "buparlisib-AZD-8055 similarity", "source_label": "buparlisib", "target_label": "AZD-8055", "cosine_similarity": 0.7391378879547119 } }, { "source": "CID:3332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "felbinac-bucladesine similarity", "source_label": "felbinac", "target_label": "bucladesine", "cosine_similarity": 0.4338244199752807 } }, { "source": "CID:11511120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "dacomitinib-neratinib similarity", "source_label": "dacomitinib", "target_label": "neratinib", "cosine_similarity": 0.511049747467041 } }, { "source": "CID:9918908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4671", "properties": { "id": "PD-166793-palmitoylethanolamide similarity", "source_label": "PD-166793", "target_label": "palmitoylethanolamide", "cosine_similarity": 0.2876141667366028 } }, { "source": "CID:149784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4883", "properties": { "id": "EHNA-practolol similarity", "source_label": "EHNA", "target_label": "practolol", "cosine_similarity": 0.2750596106052398 } }, { "source": "CID:781301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "ML-133-quercetin similarity", "source_label": "ML-133", "target_label": "quercetin", "cosine_similarity": 0.2719346284866333 } }, { "source": "CID:31772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061185", "properties": { "id": "nifurtimox-mead-ethanolamide similarity", "source_label": "nifurtimox", "target_label": "mead-ethanolamide", "cosine_similarity": 0.2578880786895752 } }, { "source": "CID:54454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "simvastatin-fluvastatin similarity", "source_label": "simvastatin", "target_label": "fluvastatin", "cosine_similarity": 0.6687708497047424 } }, { "source": "CID:45358132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5387", "properties": { "id": "icariin-telenzepine similarity", "source_label": "icariin", "target_label": "telenzepine", "cosine_similarity": 0.2936861217021942 } }, { "source": "CID:6713958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "vitexin-Gossypetin similarity", "source_label": "vitexin", "target_label": "Gossypetin", "cosine_similarity": 0.3182796835899353 } }, { "source": "CID:53708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1241", "properties": { "id": "enoximone-SKF-77434 similarity", "source_label": "enoximone", "target_label": "SKF-77434", "cosine_similarity": 0.2019623517990112 } }, { "source": "CID:659840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "vesamicol-thiazolopyrimidine similarity", "source_label": "vesamicol", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3339106440544128 } }, { "source": "CID:46925839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10831", "properties": { "id": "SD-6-035-A4-diperodon similarity", "source_label": "SD-6-035-A4", "target_label": "diperodon", "cosine_similarity": 0.1899037361145019 } }, { "source": "CID:9810929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "dolastatin-10-nocodazole similarity", "source_label": "dolastatin-10", "target_label": "nocodazole", "cosine_similarity": 0.8547263741493225 } }, { "source": "CID:5283393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353685", "properties": { "id": "arachidonamide-I-OMe-AG-538 similarity", "source_label": "arachidonamide", "target_label": "I-OMe-AG-538", "cosine_similarity": 0.3547956645488739 } }, { "source": "CID:44616686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494000", "properties": { "id": "SA-441487-SA-243423 similarity", "source_label": "SA-441487", "target_label": "SA-243423", "cosine_similarity": 0.3263815939426422 } }, { "source": "CID:4668801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "ITE-ICI-162846 similarity", "source_label": "ITE", "target_label": "ICI-162846", "cosine_similarity": 0.2375469356775283 } }, { "source": "CID:24871028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "nystatin-methyl-fasudil similarity", "source_label": "nystatin", "target_label": "methyl-fasudil", "cosine_similarity": 0.2127012461423874 } }, { "source": "CID:2576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60910", "properties": { "id": "carisoprodol-mifobate similarity", "source_label": "carisoprodol", "target_label": "mifobate", "cosine_similarity": 0.2268059253692627 } }, { "source": "CID:2973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "deferoxamine-mesylate-MM77 similarity", "source_label": "deferoxamine-mesylate", "target_label": "MM77", "cosine_similarity": 0.4834963381290436 } }, { "source": "CID:133621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4583", "properties": { "id": "imiloxan-ofloxacin similarity", "source_label": "imiloxan", "target_label": "ofloxacin", "cosine_similarity": 0.4999613463878631 } }, { "source": "CID:46238405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "RAN-29-atorvastatin similarity", "source_label": "RAN-29", "target_label": "atorvastatin", "cosine_similarity": 0.3206251263618469 } }, { "source": "CID:5312111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "NF-449-pirfenidone similarity", "source_label": "NF-449", "target_label": "pirfenidone", "cosine_similarity": 0.4862379729747772 } }, { "source": "CID:44484222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-90024-SA-419090 similarity", "source_label": "SA-90024", "target_label": "SA-419090", "cosine_similarity": 0.3084481358528137 } }, { "source": "CID:24747215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "JAS07-007-JAS07-006 similarity", "source_label": "JAS07-007", "target_label": "JAS07-006", "cosine_similarity": 0.2971391975879669 } }, { "source": "CID:3676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "lidocaine-vortioxetine similarity", "source_label": "lidocaine", "target_label": "vortioxetine", "cosine_similarity": 0.4565854072570801 } }, { "source": "CID:54660174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707400", "properties": { "id": "SA-1458610-SA-1460136 similarity", "source_label": "SA-1458610", "target_label": "SA-1460136", "cosine_similarity": 0.3354222476482391 } }, { "source": "CID:11703255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66558664", "properties": { "id": "resatorvid-E-7438 similarity", "source_label": "resatorvid", "target_label": "E-7438", "cosine_similarity": 0.5423328876495361 } }, { "source": "CID:2717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54746", "properties": { "id": "chlormezanone-cabergoline similarity", "source_label": "chlormezanone", "target_label": "cabergoline", "cosine_similarity": 0.3413692712783813 } }, { "source": "CID:3011155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5910", "properties": { "id": "nelarabine-pilocarpine similarity", "source_label": "nelarabine", "target_label": "pilocarpine", "cosine_similarity": 0.3392268717288971 } }, { "source": "CID:54669335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-1919551-SA-1455938 similarity", "source_label": "SA-1919551", "target_label": "SA-1455938", "cosine_similarity": 0.2686271667480469 } }, { "source": "CID:2369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "betaxolol-zebularine similarity", "source_label": "betaxolol", "target_label": "zebularine", "cosine_similarity": 0.3511290848255157 } }, { "source": "CID:129010074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "batimastat-benzbromarone similarity", "source_label": "batimastat", "target_label": "benzbromarone", "cosine_similarity": 0.4196797311306 } }, { "source": "CID:10171544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "zaprinast-pentoxifylline similarity", "source_label": "zaprinast", "target_label": "pentoxifylline", "cosine_similarity": 0.3878271579742431 } }, { "source": "CID:11001318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3059", "properties": { "id": "tafamidis-meglumine-diflunisal similarity", "source_label": "tafamidis-meglumine", "target_label": "diflunisal", "cosine_similarity": 0.3661532700061798 } }, { "source": "CID:9363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "etamivan-PT-630 similarity", "source_label": "etamivan", "target_label": "PT-630", "cosine_similarity": 0.3057007193565368 } }, { "source": "CID:9849616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62824", "properties": { "id": "SR-147778-ICI-63197 similarity", "source_label": "SR-147778", "target_label": "ICI-63197", "cosine_similarity": 0.2206376641988754 } }, { "source": "CID:5757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "estradiol-estrone similarity", "source_label": "estradiol", "target_label": "estrone", "cosine_similarity": 0.3988707363605499 } }, { "source": "CID:2182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "anagrelide-levosulpiride similarity", "source_label": "anagrelide", "target_label": "levosulpiride", "cosine_similarity": 0.4315415322780609 } }, { "source": "CID:1189521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "MW-MITF9-ASN-05257430 similarity", "source_label": "MW-MITF9", "target_label": "ASN-05257430", "cosine_similarity": 0.3740184903144836 } }, { "source": "CID:40692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60751", "properties": { "id": "mefloquine-temoporfin similarity", "source_label": "mefloquine", "target_label": "temoporfin", "cosine_similarity": 0.3276609182357788 } }, { "source": "CID:3550807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "EMF-sumo1-7-idelalisib similarity", "source_label": "EMF-sumo1-7", "target_label": "idelalisib", "cosine_similarity": 0.2222330123186111 } }, { "source": "CID:56676725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "BIX-01338-SA-417716 similarity", "source_label": "BIX-01338", "target_label": "SA-417716", "cosine_similarity": 0.2492225617170334 } }, { "source": "CID:5281708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "daidzein-EXO-1 similarity", "source_label": "daidzein", "target_label": "EXO-1", "cosine_similarity": 0.2597485482692718 } }, { "source": "CID:2581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:336423", "properties": { "id": "carprofen-TIC-10 similarity", "source_label": "carprofen", "target_label": "TIC-10", "cosine_similarity": 0.3730559349060058 } }, { "source": "CID:278679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708716", "properties": { "id": "cephalotaxine-catechin similarity", "source_label": "cephalotaxine", "target_label": "catechin", "cosine_similarity": 0.2504328191280365 } }, { "source": "CID:95801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "BTS-sulfanitran similarity", "source_label": "BTS", "target_label": "sulfanitran", "cosine_similarity": 0.4096544682979584 } }, { "source": "CID:44640175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "KU-C104487-molsidomine similarity", "source_label": "KU-C104487", "target_label": "molsidomine", "cosine_similarity": 0.3666856586933136 } }, { "source": "CID:2244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "aspirin-sodium-gualenate similarity", "source_label": "aspirin", "target_label": "sodium-gualenate", "cosine_similarity": 0.4115798771381378 } }, { "source": "CID:5282379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "isotretinoin-AM-580 similarity", "source_label": "isotretinoin", "target_label": "AM-580", "cosine_similarity": 0.3419770002365112 } }, { "source": "CID:4197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72326", "properties": { "id": "milrinone-NSC-4644 similarity", "source_label": "milrinone", "target_label": "NSC-4644", "cosine_similarity": 0.3996730744838714 } }, { "source": "CID:6093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353685", "properties": { "id": "niridazole-I-OMe-AG-538 similarity", "source_label": "niridazole", "target_label": "I-OMe-AG-538", "cosine_similarity": 0.2491230219602584 } }, { "source": "CID:936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "nicotinamide-alaproclate similarity", "source_label": "nicotinamide", "target_label": "alaproclate", "cosine_similarity": 0.4030087888240814 } }, { "source": "CID:121892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5717", "properties": { "id": "retigabine-zafirlukast similarity", "source_label": "retigabine", "target_label": "zafirlukast", "cosine_similarity": 0.2886061072349548 } }, { "source": "CID:5281104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288149", "properties": { "id": "paricalcitol-seocalcitol similarity", "source_label": "paricalcitol", "target_label": "seocalcitol", "cosine_similarity": 0.3817041516304016 } }, { "source": "CID:1993104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "RAN-07-motesanib similarity", "source_label": "RAN-07", "target_label": "motesanib", "cosine_similarity": 0.2783041894435882 } }, { "source": "CID:4031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "mebeverine-simvastatin similarity", "source_label": "mebeverine", "target_label": "simvastatin", "cosine_similarity": 0.3577700555324554 } }, { "source": "CID:443955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "vinpocetine-fluvoxamine similarity", "source_label": "vinpocetine", "target_label": "fluvoxamine", "cosine_similarity": 0.4614766836166382 } }, { "source": "CID:54657706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SA-1459261-gliclazide similarity", "source_label": "SA-1459261", "target_label": "gliclazide", "cosine_similarity": 0.2434127479791641 } }, { "source": "CID:11716890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "YM-298198-GSK-J1 similarity", "source_label": "YM-298198", "target_label": "GSK-J1", "cosine_similarity": 0.3150732815265655 } }, { "source": "CID:5702007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "amikacin-tetrahydrouridine similarity", "source_label": "amikacin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.8309761881828308 } }, { "source": "CID:24770514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "CPI-613-nafamostat similarity", "source_label": "CPI-613", "target_label": "nafamostat", "cosine_similarity": 0.4265611171722412 } }, { "source": "CID:14403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "aflatoxin-b1-teniposide similarity", "source_label": "aflatoxin-b1", "target_label": "teniposide", "cosine_similarity": 0.4710856974124908 } }, { "source": "CID:9867770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "JTE-907-ABT-737 similarity", "source_label": "JTE-907", "target_label": "ABT-737", "cosine_similarity": 0.255866676568985 } }, { "source": "CID:4574540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "IRL-2500-cromoglicic-acid similarity", "source_label": "IRL-2500", "target_label": "cromoglicic-acid", "cosine_similarity": 0.293095201253891 } }, { "source": "CID:5282443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "triprolidine-SGX-523 similarity", "source_label": "triprolidine", "target_label": "SGX-523", "cosine_similarity": 0.3418185412883758 } }, { "source": "CID:54659373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666592", "properties": { "id": "SA-1456305-SA-1920683 similarity", "source_label": "SA-1456305", "target_label": "SA-1920683", "cosine_similarity": 0.2740611135959625 } }, { "source": "CID:73707617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3230028", "properties": { "id": "glutamyldopamine-KU-C104139 similarity", "source_label": "glutamyldopamine", "target_label": "KU-C104139", "cosine_similarity": 0.1706185638904571 } }, { "source": "CID:5286534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "STOCK1S-03920-niclosamide similarity", "source_label": "STOCK1S-03920", "target_label": "niclosamide", "cosine_similarity": 0.3962278366088867 } }, { "source": "CID:151172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68602", "properties": { "id": "cariporide-medetomidine similarity", "source_label": "cariporide", "target_label": "medetomidine", "cosine_similarity": 0.4283761978149414 } }, { "source": "CID:668081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "selinidin-PJ-34 similarity", "source_label": "selinidin", "target_label": "PJ-34", "cosine_similarity": 0.4102277457714081 } }, { "source": "CID:208908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "lapatinib-saracatinib similarity", "source_label": "lapatinib", "target_label": "saracatinib", "cosine_similarity": 0.4331616759300232 } }, { "source": "CID:91654625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "BAZ2-ICR-AZD-7687 similarity", "source_label": "BAZ2-ICR", "target_label": "AZD-7687", "cosine_similarity": 0.2823276221752167 } }, { "source": "CID:4991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "mestinon-methylprednisolone similarity", "source_label": "mestinon", "target_label": "methylprednisolone", "cosine_similarity": 0.3821159303188324 } }, { "source": "CID:941361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "flunarizine-CGK-733 similarity", "source_label": "flunarizine", "target_label": "CGK-733", "cosine_similarity": 0.3449200093746185 } }, { "source": "CID:421610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "GANT-61-simvastatin similarity", "source_label": "GANT-61", "target_label": "simvastatin", "cosine_similarity": 0.3096404373645782 } }, { "source": "CID:159311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "bulleyaconitine-a-MW-MITF28 similarity", "source_label": "bulleyaconitine-a", "target_label": "MW-MITF28", "cosine_similarity": 0.2820265293121338 } }, { "source": "CID:92409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "SKF-89976A-linsidomine similarity", "source_label": "SKF-89976A", "target_label": "linsidomine", "cosine_similarity": 0.3892929553985595 } }, { "source": "CID:57379345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "ceritinib-trifluoperazine similarity", "source_label": "ceritinib", "target_label": "trifluoperazine", "cosine_similarity": 0.5961654782295227 } }, { "source": "CID:11754511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "BX-912-BMS-345541 similarity", "source_label": "BX-912", "target_label": "BMS-345541", "cosine_similarity": 0.4265918731689453 } }, { "source": "CID:60947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "tirofiban-AICA-ribonucleotide similarity", "source_label": "tirofiban", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3044157028198242 } }, { "source": "CID:11683005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "darinaparsin-FTI-276 similarity", "source_label": "darinaparsin", "target_label": "FTI-276", "cosine_similarity": 0.4153330326080322 } }, { "source": "CID:3325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4418", "properties": { "id": "famotidine-naftopidil similarity", "source_label": "famotidine", "target_label": "naftopidil", "cosine_similarity": 0.328331708908081 } }, { "source": "CID:5327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "sulfadimidine-mirtazapine similarity", "source_label": "sulfadimidine", "target_label": "mirtazapine", "cosine_similarity": 0.3133044838905334 } }, { "source": "CID:5311412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "rimexolone-methylprednisolone similarity", "source_label": "rimexolone", "target_label": "methylprednisolone", "cosine_similarity": 0.6906532645225525 } }, { "source": "CID:54666566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "SA-1922257-camicinal similarity", "source_label": "SA-1922257", "target_label": "camicinal", "cosine_similarity": 0.2916508018970489 } }, { "source": "CID:4746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "perhexiline-obatoclax similarity", "source_label": "perhexiline", "target_label": "obatoclax", "cosine_similarity": 0.5599007606506348 } }, { "source": "CID:275510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135470813", "properties": { "id": "NSC-119889-MW-STK33-2C similarity", "source_label": "NSC-119889", "target_label": "MW-STK33-2C", "cosine_similarity": 0.208331674337387 } }, { "source": "CID:4898145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "EMF-sumo1-9-AT-CSC-18 similarity", "source_label": "EMF-sumo1-9", "target_label": "AT-CSC-18", "cosine_similarity": 0.2295253574848175 } }, { "source": "CID:11539025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867930", "properties": { "id": "LY-2228820-RG-4733 similarity", "source_label": "LY-2228820", "target_label": "RG-4733", "cosine_similarity": 0.3280951380729675 } }, { "source": "CID:22228376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "GW-441756-ponatinib similarity", "source_label": "GW-441756", "target_label": "ponatinib", "cosine_similarity": 0.3216167390346527 } }, { "source": "CID:3827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:936", "properties": { "id": "ketotifen-nicotinamide similarity", "source_label": "ketotifen", "target_label": "nicotinamide", "cosine_similarity": 0.3501367568969726 } }, { "source": "CID:16739244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "lersivirine-PSI-6130 similarity", "source_label": "lersivirine", "target_label": "PSI-6130", "cosine_similarity": 0.5361166596412659 } }, { "source": "CID:3540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "H-8-estradiol-cypionate similarity", "source_label": "H-8", "target_label": "estradiol-cypionate", "cosine_similarity": 0.2610607147216797 } }, { "source": "CID:40486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "A-23187-CGP-71683 similarity", "source_label": "A-23187", "target_label": "CGP-71683", "cosine_similarity": 0.6363858580589294 } }, { "source": "CID:135411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "CD-437-gemcitabine similarity", "source_label": "CD-437", "target_label": "gemcitabine", "cosine_similarity": 0.6387577652931213 } }, { "source": "CID:24747176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3715", "properties": { "id": "PSH-021-indometacin similarity", "source_label": "PSH-021", "target_label": "indometacin", "cosine_similarity": 0.2544268071651459 } }, { "source": "CID:16112820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "neurodazine-SA-423131 similarity", "source_label": "neurodazine", "target_label": "SA-423131", "cosine_similarity": 0.3123777508735657 } }, { "source": "CID:44093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "captopril-gatifloxacin similarity", "source_label": "captopril", "target_label": "gatifloxacin", "cosine_similarity": 0.2208837568759918 } }, { "source": "CID:688020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "crotamiton-dexamethasone similarity", "source_label": "crotamiton", "target_label": "dexamethasone", "cosine_similarity": 0.2506791055202484 } }, { "source": "CID:9549213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "PU-H71-tanespimycin similarity", "source_label": "PU-H71", "target_label": "tanespimycin", "cosine_similarity": 0.7985947132110596 } }, { "source": "CID:39836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "L-NAME-metixene similarity", "source_label": "L-NAME", "target_label": "metixene", "cosine_similarity": 0.4829826056957245 } }, { "source": "CID:51001932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "taselisib-KU-0063794 similarity", "source_label": "taselisib", "target_label": "KU-0063794", "cosine_similarity": 0.8172028064727783 } }, { "source": "CID:26937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "clobutinol-ARG-CSC-91 similarity", "source_label": "clobutinol", "target_label": "ARG-CSC-91", "cosine_similarity": 0.2489034086465835 } }, { "source": "CID:51348735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "hyperforin-FCCP similarity", "source_label": "hyperforin", "target_label": "FCCP", "cosine_similarity": 0.5453633666038513 } }, { "source": "CID:3899541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "DNQX-resatorvid similarity", "source_label": "DNQX", "target_label": "resatorvid", "cosine_similarity": 0.2859938740730285 } }, { "source": "CID:27806705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "oxymetholone-EMF-bca1-16 similarity", "source_label": "oxymetholone", "target_label": "EMF-bca1-16", "cosine_similarity": 0.3868399858474731 } }, { "source": "CID:56649450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "alpelisib-AZD-5363 similarity", "source_label": "alpelisib", "target_label": "AZD-5363", "cosine_similarity": 0.5084252953529358 } }, { "source": "CID:10286159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "erteberel-meglitinide similarity", "source_label": "erteberel", "target_label": "meglitinide", "cosine_similarity": 0.4629003703594208 } }, { "source": "CID:5487427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16122663", "properties": { "id": "tiotropium-mericitabine similarity", "source_label": "tiotropium", "target_label": "mericitabine", "cosine_similarity": 0.1678394228219986 } }, { "source": "CID:5730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9836739", "properties": { "id": "ZM-336372-PNU-74654 similarity", "source_label": "ZM-336372", "target_label": "PNU-74654", "cosine_similarity": 0.4372051358222961 } }, { "source": "CID:5377914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10330240", "properties": { "id": "methylnorlichexanthone-VUF-5681 similarity", "source_label": "methylnorlichexanthone", "target_label": "VUF-5681", "cosine_similarity": 0.1848778873682022 } }, { "source": "CID:24856436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "MK-1775-azacitidine similarity", "source_label": "MK-1775", "target_label": "azacitidine", "cosine_similarity": 0.5218279361724854 } }, { "source": "CID:65747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23902994", "properties": { "id": "reserpic-acid-BL-077 similarity", "source_label": "reserpic-acid", "target_label": "BL-077", "cosine_similarity": 0.247476652264595 } }, { "source": "CID:44623833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4888", "properties": { "id": "KU-C104218-pranoprofen similarity", "source_label": "KU-C104218", "target_label": "pranoprofen", "cosine_similarity": 0.167623221874237 } }, { "source": "CID:40634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4462449", "properties": { "id": "trolox-CAY-10578 similarity", "source_label": "trolox", "target_label": "CAY-10578", "cosine_similarity": 0.1993189603090286 } }, { "source": "CID:2275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "sodium-gualenate-saxagliptin similarity", "source_label": "sodium-gualenate", "target_label": "saxagliptin", "cosine_similarity": 0.5275672674179077 } }, { "source": "CID:9839842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "MAZ-51-HMN-214 similarity", "source_label": "MAZ-51", "target_label": "HMN-214", "cosine_similarity": 0.3779266774654388 } }, { "source": "CID:56208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "sarafloxacin-cefoxitin similarity", "source_label": "sarafloxacin", "target_label": "cefoxitin", "cosine_similarity": 0.2156018614768982 } }, { "source": "CID:24094067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926574", "properties": { "id": "I-303059-MW-A1-18 similarity", "source_label": "I-303059", "target_label": "MW-A1-18", "cosine_similarity": 0.28999924659729 } }, { "source": "CID:9884817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5081", "properties": { "id": "GR-79236-Ro-15-4513 similarity", "source_label": "GR-79236", "target_label": "Ro-15-4513", "cosine_similarity": 0.277476817369461 } }, { "source": "CID:3455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60663", "properties": { "id": "vanoxerine-mibefradil similarity", "source_label": "vanoxerine", "target_label": "mibefradil", "cosine_similarity": 0.3642654418945312 } }, { "source": "CID:5282054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "cerulenin-7b-cis similarity", "source_label": "cerulenin", "target_label": "7b-cis", "cosine_similarity": 0.8087358474731445 } }, { "source": "CID:6037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41781", "properties": { "id": "folic-acid-torasemide similarity", "source_label": "folic-acid", "target_label": "torasemide", "cosine_similarity": 0.4297930598258972 } }, { "source": "CID:4296446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "VU-0447127-2-BMS-191011 similarity", "source_label": "VU-0447127-2", "target_label": "BMS-191011", "cosine_similarity": 0.2667233645915985 } }, { "source": "CID:11382492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "CMPD-1-K784-3187 similarity", "source_label": "CMPD-1", "target_label": "K784-3187", "cosine_similarity": 0.4383755326271057 } }, { "source": "CID:443389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "SB-221284-AICA-ribonucleotide similarity", "source_label": "SB-221284", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2797880470752716 } }, { "source": "CID:6732844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "ST-023431-iniparib similarity", "source_label": "ST-023431", "target_label": "iniparib", "cosine_similarity": 0.3961406648159027 } }, { "source": "CID:4260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "moxisylyte-dienestrol similarity", "source_label": "moxisylyte", "target_label": "dienestrol", "cosine_similarity": 0.3673318326473236 } }, { "source": "CID:54657707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "SA-1459291-SA-1456734 similarity", "source_label": "SA-1459291", "target_label": "SA-1456734", "cosine_similarity": 0.3385953903198242 } }, { "source": "CID:11977753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "NVP-BEZ235-AZD-8055 similarity", "source_label": "NVP-BEZ235", "target_label": "AZD-8055", "cosine_similarity": 0.9634515047073364 } }, { "source": "CID:4364841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "L-165041-gramine similarity", "source_label": "L-165041", "target_label": "gramine", "cosine_similarity": 0.2422923892736435 } }, { "source": "CID:14182642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:839770", "properties": { "id": "propanoic-acid-RAN-14B similarity", "source_label": "propanoic-acid", "target_label": "RAN-14B", "cosine_similarity": 0.1827347874641418 } }, { "source": "CID:3715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "indometacin-yohimbine similarity", "source_label": "indometacin", "target_label": "yohimbine", "cosine_similarity": 0.4027411043643951 } }, { "source": "CID:3307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "etizolam-GSK-J1 similarity", "source_label": "etizolam", "target_label": "GSK-J1", "cosine_similarity": 0.336790919303894 } }, { "source": "CID:44601455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "WT-171-NCH-51 similarity", "source_label": "WT-171", "target_label": "NCH-51", "cosine_similarity": 0.7702812552452087 } }, { "source": "CID:6124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "dimethylnitrosamine-pepstatin similarity", "source_label": "dimethylnitrosamine", "target_label": "pepstatin", "cosine_similarity": 0.2429564297199249 } }, { "source": "CID:5284549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "dorzolamide-dideoxyadenosine similarity", "source_label": "dorzolamide", "target_label": "dideoxyadenosine", "cosine_similarity": 0.5405793190002441 } }, { "source": "CID:5717737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "SAL-003-cyclosporin-a similarity", "source_label": "SAL-003", "target_label": "cyclosporin-a", "cosine_similarity": 0.4454018473625183 } }, { "source": "CID:10742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "syringic-acid-DL-TBOA similarity", "source_label": "syringic-acid", "target_label": "DL-TBOA", "cosine_similarity": 0.3472644090652466 } }, { "source": "CID:4284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "diethyltoluamide-PT-630 similarity", "source_label": "diethyltoluamide", "target_label": "PT-630", "cosine_similarity": 0.250634491443634 } }, { "source": "CID:10660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7073234", "properties": { "id": "dimenhydrinate-catharanthine similarity", "source_label": "dimenhydrinate", "target_label": "catharanthine", "cosine_similarity": 0.2352169156074524 } }, { "source": "CID:68634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "oxiperomide-phenylacetylglutamine similarity", "source_label": "oxiperomide", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.2776913344860077 } }, { "source": "CID:5417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707437", "properties": { "id": "tetrahydropalmatine-YL-53 similarity", "source_label": "tetrahydropalmatine", "target_label": "YL-53", "cosine_similarity": 0.2689474523067474 } }, { "source": "CID:10068193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "LM-1685-BG-1023 similarity", "source_label": "LM-1685", "target_label": "BG-1023", "cosine_similarity": 0.2462664395570755 } }, { "source": "CID:3516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3519541", "properties": { "id": "guaifenesin-CGP-13501 similarity", "source_label": "guaifenesin", "target_label": "CGP-13501", "cosine_similarity": 0.2355702221393585 } }, { "source": "CID:2853753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "CCT-031374-sertraline similarity", "source_label": "CCT-031374", "target_label": "sertraline", "cosine_similarity": 0.8141255974769592 } }, { "source": "CID:123879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ramatroban-anandamide similarity", "source_label": "ramatroban", "target_label": "anandamide", "cosine_similarity": 0.3055266439914703 } }, { "source": "CID:441383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "terconazole-trifluoperazine similarity", "source_label": "terconazole", "target_label": "trifluoperazine", "cosine_similarity": 0.4161388278007507 } }, { "source": "CID:2390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "AG-490-eriodictyol similarity", "source_label": "AG-490", "target_label": "eriodictyol", "cosine_similarity": 0.3348706662654876 } }, { "source": "CID:4887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3009", "properties": { "id": "pranlukast-eflornithine similarity", "source_label": "pranlukast", "target_label": "eflornithine", "cosine_similarity": 0.2763384282588959 } }, { "source": "CID:25195348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "VER-155008-BMS-191011 similarity", "source_label": "VER-155008", "target_label": "BMS-191011", "cosine_similarity": 0.3823079764842987 } }, { "source": "CID:2603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "CCCP-tyrphostin-A9 similarity", "source_label": "CCCP", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5818718671798706 } }, { "source": "CID:781301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "ML-133-CFM-2 similarity", "source_label": "ML-133", "target_label": "CFM-2", "cosine_similarity": 0.2732715606689453 } }, { "source": "CID:4084010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "EMF-sumo1-1-syringic-acid similarity", "source_label": "EMF-sumo1-1", "target_label": "syringic-acid", "cosine_similarity": 0.2874119877815246 } }, { "source": "CID:5175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11485656", "properties": { "id": "SC-10-linifanib similarity", "source_label": "SC-10", "target_label": "linifanib", "cosine_similarity": 0.2506337761878967 } }, { "source": "CID:5318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "sulconazole-bithionol similarity", "source_label": "sulconazole", "target_label": "bithionol", "cosine_similarity": 0.5191045999526978 } }, { "source": "CID:610479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "tolfenamic-acid-riociguat similarity", "source_label": "tolfenamic-acid", "target_label": "riociguat", "cosine_similarity": 0.3334626853466034 } }, { "source": "CID:299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "kepone-anisomycin similarity", "source_label": "kepone", "target_label": "anisomycin", "cosine_similarity": 0.2902504205703735 } }, { "source": "CID:3969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104865", "properties": { "id": "tomelukast-bosentan similarity", "source_label": "tomelukast", "target_label": "bosentan", "cosine_similarity": 0.414165198802948 } }, { "source": "CID:33613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361202", "properties": { "id": "amoxicillin-cefuroxime similarity", "source_label": "amoxicillin", "target_label": "cefuroxime", "cosine_similarity": 0.2129648178815841 } }, { "source": "CID:44623845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2809486", "properties": { "id": "KU-C104226-S-206352 similarity", "source_label": "KU-C104226", "target_label": "S-206352", "cosine_similarity": 0.2210590988397598 } }, { "source": "CID:3152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:30668", "properties": { "id": "donepezil-lofexidine similarity", "source_label": "donepezil", "target_label": "lofexidine", "cosine_similarity": 0.2390091717243194 } }, { "source": "CID:3795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "WHI-P154-ponatinib similarity", "source_label": "WHI-P154", "target_label": "ponatinib", "cosine_similarity": 0.4853949844837188 } }, { "source": "CID:172997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57335384", "properties": { "id": "lixivaptan-rociletinib similarity", "source_label": "lixivaptan", "target_label": "rociletinib", "cosine_similarity": 0.2847066223621368 } }, { "source": "CID:1126109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "JX-401-TAK-715 similarity", "source_label": "JX-401", "target_label": "TAK-715", "cosine_similarity": 0.3826581239700317 } }, { "source": "CID:216239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "sorafenib-vemurafenib similarity", "source_label": "sorafenib", "target_label": "vemurafenib", "cosine_similarity": 0.7167078852653503 } }, { "source": "CID:2107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10081070", "properties": { "id": "alpha-methylserotonin-butyrolactone similarity", "source_label": "alpha-methylserotonin", "target_label": "butyrolactone", "cosine_similarity": 0.2345158904790878 } }, { "source": "CID:10109823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "AS-601245-BMS-345541 similarity", "source_label": "AS-601245", "target_label": "BMS-345541", "cosine_similarity": 0.5335748791694641 } }, { "source": "CID:1103147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133002", "properties": { "id": "YM-90709-PG-9 similarity", "source_label": "YM-90709", "target_label": "PG-9", "cosine_similarity": 0.2350687533617019 } }, { "source": "CID:23635314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2833", "properties": { "id": "KX-2391-colchicine similarity", "source_label": "KX-2391", "target_label": "colchicine", "cosine_similarity": 0.8457421064376831 } }, { "source": "CID:91469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "equol-ozagrel similarity", "source_label": "equol", "target_label": "ozagrel", "cosine_similarity": 0.3123730719089508 } }, { "source": "CID:637858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "piperlongumine-manumycin-a similarity", "source_label": "piperlongumine", "target_label": "manumycin-a", "cosine_similarity": 0.7471307516098022 } }, { "source": "CID:25051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47318", "properties": { "id": "cyclocytidine-oltipraz similarity", "source_label": "cyclocytidine", "target_label": "oltipraz", "cosine_similarity": 0.1996489465236663 } }, { "source": "CID:58423153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "AZD-1208-deforolimus similarity", "source_label": "AZD-1208", "target_label": "deforolimus", "cosine_similarity": 0.3669397532939911 } }, { "source": "CID:4946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "propranolol-iproniazid similarity", "source_label": "propranolol", "target_label": "iproniazid", "cosine_similarity": 0.2730870246887207 } }, { "source": "CID:45375809", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151172", "properties": { "id": "PSI-7976-cariporide similarity", "source_label": "PSI-7976", "target_label": "cariporide", "cosine_similarity": 0.3463530242443084 } }, { "source": "CID:3000322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "scopolamine-PYM-50028 similarity", "source_label": "scopolamine", "target_label": "PYM-50028", "cosine_similarity": 0.4394733905792236 } }, { "source": "CID:50515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:454216", "properties": { "id": "amonafide-valrubicin similarity", "source_label": "amonafide", "target_label": "valrubicin", "cosine_similarity": 0.5199359655380249 } }, { "source": "CID:46898058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "GSK-923295-AICA-ribonucleotide similarity", "source_label": "GSK-923295", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.355194479227066 } }, { "source": "CID:701939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "MW-A1-12-MD-II-008-P similarity", "source_label": "MW-A1-12", "target_label": "MD-II-008-P", "cosine_similarity": 0.4788920283317566 } }, { "source": "CID:92400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "zofenopril-calcium-latanoprost similarity", "source_label": "zofenopril-calcium", "target_label": "latanoprost", "cosine_similarity": 0.2709462940692901 } }, { "source": "CID:9889200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "balaglitazone-estramustine-phosphate similarity", "source_label": "balaglitazone", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3865821659564972 } }, { "source": "CID:19582717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507247", "properties": { "id": "CHEMBL-1222381-SA-1017940 similarity", "source_label": "CHEMBL-1222381", "target_label": "SA-1017940", "cosine_similarity": 0.4353762567043304 } }, { "source": "CID:10235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667705", "properties": { "id": "cytisine-exemestane similarity", "source_label": "cytisine", "target_label": "exemestane", "cosine_similarity": 0.432345449924469 } }, { "source": "CID:9549297", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20635522", "properties": { "id": "SU-11274-KIN001-127 similarity", "source_label": "SU-11274", "target_label": "KIN001-127", "cosine_similarity": 0.3355667889118194 } }, { "source": "CID:73313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "trimidox-fumonisin-b1 similarity", "source_label": "trimidox", "target_label": "fumonisin-b1", "cosine_similarity": 0.276026576757431 } }, { "source": "CID:941650", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "thiothixene-FIT similarity", "source_label": "thiothixene", "target_label": "FIT", "cosine_similarity": 0.4517953991889953 } }, { "source": "CID:4299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "W-13-taselisib similarity", "source_label": "W-13", "target_label": "taselisib", "cosine_similarity": 0.2773987650871277 } }, { "source": "CID:135412158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "OM-137-PIK-90 similarity", "source_label": "OM-137", "target_label": "PIK-90", "cosine_similarity": 0.2511446475982666 } }, { "source": "CID:4165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "meticrane-erythrosine similarity", "source_label": "meticrane", "target_label": "erythrosine", "cosine_similarity": 0.2545589208602905 } }, { "source": "CID:448281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "ORE-1001-actarit similarity", "source_label": "ORE-1001", "target_label": "actarit", "cosine_similarity": 0.2874594628810882 } }, { "source": "CID:44462760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "dabrafenib-RAF-265 similarity", "source_label": "dabrafenib", "target_label": "RAF-265", "cosine_similarity": 0.8003293871879578 } }, { "source": "CID:5701996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "isoreserpine-amyleine similarity", "source_label": "isoreserpine", "target_label": "amyleine", "cosine_similarity": 0.2414974272251129 } }, { "source": "CID:54658832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504286", "properties": { "id": "SA-1459256-SA-102042 similarity", "source_label": "SA-1459256", "target_label": "SA-102042", "cosine_similarity": 0.3639956712722778 } }, { "source": "CID:6602440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603931", "properties": { "id": "dehydrocholate-MRS-1754 similarity", "source_label": "dehydrocholate", "target_label": "MRS-1754", "cosine_similarity": 0.2705138623714447 } }, { "source": "CID:6610344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280723", "properties": { "id": "forskolin-alprostadil similarity", "source_label": "forskolin", "target_label": "alprostadil", "cosine_similarity": 0.7885213494300842 } }, { "source": "CID:54666825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483939", "properties": { "id": "SA-1922111-SA-1944378 similarity", "source_label": "SA-1922111", "target_label": "SA-1944378", "cosine_similarity": 0.2774673998355865 } }, { "source": "CID:3902", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "letrozole-actarit similarity", "source_label": "letrozole", "target_label": "actarit", "cosine_similarity": 0.4748775959014892 } }, { "source": "CID:3356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "flecainide-dapivirine similarity", "source_label": "flecainide", "target_label": "dapivirine", "cosine_similarity": 0.4324313104152679 } }, { "source": "CID:23748511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498587", "properties": { "id": "III606050-SA-425500 similarity", "source_label": "III606050", "target_label": "SA-425500", "cosine_similarity": 0.3401844203472137 } }, { "source": "CID:71759907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-1939891-SA-1462678 similarity", "source_label": "SA-1939891", "target_label": "SA-1462678", "cosine_similarity": 0.2821059823036194 } }, { "source": "CID:1042895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "felamidin-gliclazide similarity", "source_label": "felamidin", "target_label": "gliclazide", "cosine_similarity": 0.4531255066394806 } }, { "source": "CID:9956145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10205", "properties": { "id": "GGTI-297-plumbagin similarity", "source_label": "GGTI-297", "target_label": "plumbagin", "cosine_similarity": 0.2286650240421295 } }, { "source": "CID:3342298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "CTS-1027-resatorvid similarity", "source_label": "CTS-1027", "target_label": "resatorvid", "cosine_similarity": 0.4640833437442779 } }, { "source": "CID:44505490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "SA-419172-PT-630 similarity", "source_label": "SA-419172", "target_label": "PT-630", "cosine_similarity": 0.3756089806556701 } }, { "source": "CID:11674376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "UBP-302-phenothiazine similarity", "source_label": "UBP-302", "target_label": "phenothiazine", "cosine_similarity": 0.3099316358566284 } }, { "source": "CID:5745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "cortisone-acetate-UNC-0321 similarity", "source_label": "cortisone-acetate", "target_label": "UNC-0321", "cosine_similarity": 0.3561635315418243 } }, { "source": "CID:4115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "methoxychlor-dapivirine similarity", "source_label": "methoxychlor", "target_label": "dapivirine", "cosine_similarity": 0.2648981511592865 } }, { "source": "CID:1103147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353593", "properties": { "id": "YM-90709-DMBI similarity", "source_label": "YM-90709", "target_label": "DMBI", "cosine_similarity": 0.240750640630722 } }, { "source": "CID:54667998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-1920080-SA-85148 similarity", "source_label": "SA-1920080", "target_label": "SA-85148", "cosine_similarity": 0.2578766047954559 } }, { "source": "CID:155815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "varespladib-phenylbutazone similarity", "source_label": "varespladib", "target_label": "phenylbutazone", "cosine_similarity": 0.4290259778499603 } }, { "source": "CID:60795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2801", "properties": { "id": "aripiprazole-clomipramine similarity", "source_label": "aripiprazole", "target_label": "clomipramine", "cosine_similarity": 0.2711836993694305 } }, { "source": "CID:24988881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2585", "properties": { "id": "MK-8245-carvedilol similarity", "source_label": "MK-8245", "target_label": "carvedilol", "cosine_similarity": 0.3750735819339752 } }, { "source": "CID:73707405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "CT-200783-GP-42 similarity", "source_label": "CT-200783", "target_label": "GP-42", "cosine_similarity": 0.7279638648033142 } }, { "source": "CID:49849912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "CAM-9-027-3-RS-17053 similarity", "source_label": "CAM-9-027-3", "target_label": "RS-17053", "cosine_similarity": 0.6229526400566101 } }, { "source": "CID:5770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "reserpine-SGI-1776 similarity", "source_label": "reserpine", "target_label": "SGI-1776", "cosine_similarity": 0.3663149178028106 } }, { "source": "CID:44484010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613931", "properties": { "id": "SA-85764-SA-441412 similarity", "source_label": "SA-85764", "target_label": "SA-441412", "cosine_similarity": 0.2396608740091323 } }, { "source": "CID:11282283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "amuvatinib-gossypol similarity", "source_label": "amuvatinib", "target_label": "gossypol", "cosine_similarity": 0.3992793262004852 } }, { "source": "CID:3607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707534", "properties": { "id": "hexetidine-KDM-103 similarity", "source_label": "hexetidine", "target_label": "KDM-103", "cosine_similarity": 0.2537566721439361 } }, { "source": "CID:3331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "felbamate-GNF-2 similarity", "source_label": "felbamate", "target_label": "GNF-2", "cosine_similarity": 0.3231261074542999 } }, { "source": "CID:44489343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657953", "properties": { "id": "SA-425929-SA-1456195 similarity", "source_label": "SA-425929", "target_label": "SA-1456195", "cosine_similarity": 0.257986843585968 } }, { "source": "CID:54675769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5505", "properties": { "id": "novobiocin-tolbutamide similarity", "source_label": "novobiocin", "target_label": "tolbutamide", "cosine_similarity": 0.3659126162528991 } }, { "source": "CID:53245473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "TUL-XXI039-TUL_XX087 similarity", "source_label": "TUL-XXI039", "target_label": "TUL_XX087", "cosine_similarity": 0.7714473009109497 } }, { "source": "CID:2719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "chloroquine-losartan similarity", "source_label": "chloroquine", "target_label": "losartan", "cosine_similarity": 0.4044369459152221 } }, { "source": "CID:122162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "luzindole-phenothiazine similarity", "source_label": "luzindole", "target_label": "phenothiazine", "cosine_similarity": 0.2953740954399109 } }, { "source": "CID:442544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2712", "properties": { "id": "tremulacin-chlordiazepoxide similarity", "source_label": "tremulacin", "target_label": "chlordiazepoxide", "cosine_similarity": 0.2674457728862762 } }, { "source": "CID:6918314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "vilazodone-vortioxetine similarity", "source_label": "vilazodone", "target_label": "vortioxetine", "cosine_similarity": 0.424198567867279 } }, { "source": "CID:155982217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:139032007", "properties": { "id": "monensin-avermectin similarity", "source_label": "monensin", "target_label": "avermectin", "cosine_similarity": 0.3488321602344513 } }, { "source": "CID:44629987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "brivudine-lodoxamide similarity", "source_label": "brivudine", "target_label": "lodoxamide", "cosine_similarity": 0.4303068220615387 } }, { "source": "CID:4423767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "STK-674938-methyl-fasudil similarity", "source_label": "STK-674938", "target_label": "methyl-fasudil", "cosine_similarity": 0.3305896818637848 } }, { "source": "CID:2466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "bufexamac-cobimetinib similarity", "source_label": "bufexamac", "target_label": "cobimetinib", "cosine_similarity": 0.2405294179916381 } }, { "source": "CID:51358113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "torin-2-AZD-8055 similarity", "source_label": "torin-2", "target_label": "AZD-8055", "cosine_similarity": 0.6148114204406738 } }, { "source": "CID:3242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4418", "properties": { "id": "epirizole-naftopidil similarity", "source_label": "epirizole", "target_label": "naftopidil", "cosine_similarity": 0.3927376866340637 } }, { "source": "CID:3287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24871028", "properties": { "id": "ethionamide-nystatin similarity", "source_label": "ethionamide", "target_label": "nystatin", "cosine_similarity": 0.2432914078235626 } }, { "source": "CID:44143370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "KIN001-266-lorazepam similarity", "source_label": "KIN001-266", "target_label": "lorazepam", "cosine_similarity": 0.358573317527771 } }, { "source": "CID:44607592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "KU-C104140-leu-enkephalin similarity", "source_label": "KU-C104140", "target_label": "leu-enkephalin", "cosine_similarity": 0.4309454262256622 } }, { "source": "CID:453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "mannitol-rolipram similarity", "source_label": "mannitol", "target_label": "rolipram", "cosine_similarity": 0.3669800758361816 } }, { "source": "CID:1534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "aminomethyltransferase-BMS-641988 similarity", "source_label": "aminomethyltransferase", "target_label": "BMS-641988", "cosine_similarity": 0.3146838545799255 } }, { "source": "CID:4753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "phenacemide-MM77 similarity", "source_label": "phenacemide", "target_label": "MM77", "cosine_similarity": 0.5053220391273499 } }, { "source": "CID:5311257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3326", "properties": { "id": "LY-320135-famprofazone similarity", "source_label": "LY-320135", "target_label": "famprofazone", "cosine_similarity": 0.229936882853508 } }, { "source": "CID:42628535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46844147", "properties": { "id": "XMD-1185H-XMD-885 similarity", "source_label": "XMD-1185H", "target_label": "XMD-885", "cosine_similarity": 0.3560377955436706 } }, { "source": "CID:842059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135787369", "properties": { "id": "BG-1023-BG-1020 similarity", "source_label": "BG-1023", "target_label": "BG-1020", "cosine_similarity": 0.2737579345703125 } }, { "source": "CID:9543513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "APO-866-PTB1 similarity", "source_label": "APO-866", "target_label": "PTB1", "cosine_similarity": 0.5243729948997498 } }, { "source": "CID:73707537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "BG-1008-NCH-51 similarity", "source_label": "BG-1008", "target_label": "NCH-51", "cosine_similarity": 0.4972265958786011 } }, { "source": "CID:11214940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1401", "properties": { "id": "erastin-PD-173074 similarity", "source_label": "erastin", "target_label": "PD-173074", "cosine_similarity": 0.3708060085773468 } }, { "source": "CID:123767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353842", "properties": { "id": "norketamine-OBAA similarity", "source_label": "norketamine", "target_label": "OBAA", "cosine_similarity": 0.2902992367744446 } }, { "source": "CID:4296", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5268", "properties": { "id": "TFMPP-spiroxatrine similarity", "source_label": "TFMPP", "target_label": "spiroxatrine", "cosine_similarity": 0.2527424991130829 } }, { "source": "CID:442972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601476", "properties": { "id": "cyclopamine-KU-C103904N similarity", "source_label": "cyclopamine", "target_label": "KU-C103904N", "cosine_similarity": 0.2558763921260834 } }, { "source": "CID:71490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502953", "properties": { "id": "fenpiverinium-SD-6-035-B4 similarity", "source_label": "fenpiverinium", "target_label": "SD-6-035-B4", "cosine_similarity": 0.2244901210069656 } }, { "source": "CID:6708778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "teniposide-idarubicin similarity", "source_label": "teniposide", "target_label": "idarubicin", "cosine_similarity": 0.7663986086845398 } }, { "source": "CID:6446335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "BG-FA-0953-MD-II-051 similarity", "source_label": "BG-FA-0953", "target_label": "MD-II-051", "cosine_similarity": 0.7018172740936279 } }, { "source": "CID:65492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "iopamidol-iniparib similarity", "source_label": "iopamidol", "target_label": "iniparib", "cosine_similarity": 0.3108551204204559 } }, { "source": "CID:4628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445858", "properties": { "id": "oxolinic-acid-ferulic-acid similarity", "source_label": "oxolinic-acid", "target_label": "ferulic-acid", "cosine_similarity": 0.4049434065818786 } }, { "source": "CID:4260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11949652", "properties": { "id": "moxisylyte-teneligliptin similarity", "source_label": "moxisylyte", "target_label": "teneligliptin", "cosine_similarity": 0.360895961523056 } }, { "source": "CID:11978790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "BGT-226-AZD-8055 similarity", "source_label": "BGT-226", "target_label": "AZD-8055", "cosine_similarity": 0.7239861488342285 } }, { "source": "CID:10311918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "CTPB-SA-1456170 similarity", "source_label": "CTPB", "target_label": "SA-1456170", "cosine_similarity": 0.2619465589523315 } }, { "source": "CID:5280804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "isoquercetin-niguldipine similarity", "source_label": "isoquercetin", "target_label": "niguldipine", "cosine_similarity": 0.2521207630634308 } }, { "source": "CID:71310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "atipamezole-diphenidol similarity", "source_label": "atipamezole", "target_label": "diphenidol", "cosine_similarity": 0.408437043428421 } }, { "source": "CID:54657953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "SA-1456195-SA-1456170 similarity", "source_label": "SA-1456195", "target_label": "SA-1456170", "cosine_similarity": 0.3043437302112579 } }, { "source": "CID:44473128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12385463", "properties": { "id": "KU-C103672-KU-C103670 similarity", "source_label": "KU-C103672", "target_label": "KU-C103670", "cosine_similarity": 0.3184762299060821 } }, { "source": "CID:24747179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "PSH-003-myricetin similarity", "source_label": "PSH-003", "target_label": "myricetin", "cosine_similarity": 0.3369387686252594 } }, { "source": "CID:42633508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "VU-0238429-tivantinib similarity", "source_label": "VU-0238429", "target_label": "tivantinib", "cosine_similarity": 0.4281321763992309 } }, { "source": "CID:16667713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362124", "properties": { "id": "tilmicosin-benazepril similarity", "source_label": "tilmicosin", "target_label": "benazepril", "cosine_similarity": 0.2008900046348571 } }, { "source": "CID:53340666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "ACY-1215-dacinostat similarity", "source_label": "ACY-1215", "target_label": "dacinostat", "cosine_similarity": 0.5061625242233276 } }, { "source": "CID:73707419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "chromomycin-a3-triptolide similarity", "source_label": "chromomycin-a3", "target_label": "triptolide", "cosine_similarity": 0.7120190858840942 } }, { "source": "CID:35375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "etofenamate-oxiconazole similarity", "source_label": "etofenamate", "target_label": "oxiconazole", "cosine_similarity": 0.3343222141265869 } }, { "source": "CID:443007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "fillalbin-7-nitroindazole similarity", "source_label": "fillalbin", "target_label": "7-nitroindazole", "cosine_similarity": 0.3353320062160492 } }, { "source": "CID:1604254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759369", "properties": { "id": "RAN-03-ZM-323881 similarity", "source_label": "RAN-03", "target_label": "ZM-323881", "cosine_similarity": 0.2570312023162842 } }, { "source": "CID:637542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797577", "properties": { "id": "naringeninic-acid-SRPIN-340 similarity", "source_label": "naringeninic-acid", "target_label": "SRPIN-340", "cosine_similarity": 0.1990601271390915 } }, { "source": "CID:6572379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "PSH-013-PSH-028 similarity", "source_label": "PSH-013", "target_label": "PSH-028", "cosine_similarity": 0.3647373616695404 } }, { "source": "CID:53377419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "BG-STK33-55-BG-STK33-03 similarity", "source_label": "BG-STK33-55", "target_label": "BG-STK33-03", "cosine_similarity": 0.5426847338676453 } }, { "source": "CID:5284550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2802", "properties": { "id": "dosulepin-clonazepam similarity", "source_label": "dosulepin", "target_label": "clonazepam", "cosine_similarity": 0.2410684078931808 } }, { "source": "CID:9915743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "neratinib-cyclosporin-a similarity", "source_label": "neratinib", "target_label": "cyclosporin-a", "cosine_similarity": 0.6342150568962097 } }, { "source": "CID:395754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "FTI-276-bucladesine similarity", "source_label": "FTI-276", "target_label": "bucladesine", "cosine_similarity": 0.4973014593124389 } }, { "source": "CID:5352062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "romidepsin-JNJ-26481585 similarity", "source_label": "romidepsin", "target_label": "JNJ-26481585", "cosine_similarity": 0.8609700798988342 } }, { "source": "CID:5282226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4583", "properties": { "id": "travoprost-ofloxacin similarity", "source_label": "travoprost", "target_label": "ofloxacin", "cosine_similarity": 0.5514223575592041 } }, { "source": "CID:5352062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "romidepsin-HC-toxin similarity", "source_label": "romidepsin", "target_label": "HC-toxin", "cosine_similarity": 0.816021203994751 } }, { "source": "CID:5560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8029", "properties": { "id": "trichlormethiazide-furan similarity", "source_label": "trichlormethiazide", "target_label": "furan", "cosine_similarity": 0.1857695430517196 } }, { "source": "CID:5035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "raloxifene-tetrandrine similarity", "source_label": "raloxifene", "target_label": "tetrandrine", "cosine_similarity": 0.5929319858551025 } }, { "source": "CID:11964036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11327430", "properties": { "id": "KU-0060648-NU-7441 similarity", "source_label": "KU-0060648", "target_label": "NU-7441", "cosine_similarity": 0.5678200721740723 } }, { "source": "CID:25073775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "VS-4718-TAK-733 similarity", "source_label": "VS-4718", "target_label": "TAK-733", "cosine_similarity": 0.5021581649780273 } }, { "source": "CID:15547703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "tosedostat-SKI-II similarity", "source_label": "tosedostat", "target_label": "SKI-II", "cosine_similarity": 0.4520738422870636 } }, { "source": "CID:54657693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "SA-1973509-SA-1973507 similarity", "source_label": "SA-1973509", "target_label": "SA-1973507", "cosine_similarity": 0.5391634106636047 } }, { "source": "CID:441724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "delcorine-epicatechin similarity", "source_label": "delcorine", "target_label": "epicatechin", "cosine_similarity": 0.2649619281291961 } }, { "source": "CID:23958199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4994", "properties": { "id": "apramycin-pyrithyldione similarity", "source_label": "apramycin", "target_label": "pyrithyldione", "cosine_similarity": 0.2138678580522537 } }, { "source": "CID:5320346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2662", "properties": { "id": "hydrocortisone-celecoxib similarity", "source_label": "hydrocortisone", "target_label": "celecoxib", "cosine_similarity": 0.6701995134353638 } }, { "source": "CID:54658771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-1459430-SA-1939915 similarity", "source_label": "SA-1459430", "target_label": "SA-1939915", "cosine_similarity": 0.230733186006546 } }, { "source": "CID:5281643", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "hyperoside-dexloxiglumide similarity", "source_label": "hyperoside", "target_label": "dexloxiglumide", "cosine_similarity": 0.1643830984830856 } }, { "source": "CID:44494796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-97378-SA-96805 similarity", "source_label": "SA-97378", "target_label": "SA-96805", "cosine_similarity": 0.5351324677467346 } }, { "source": "CID:21874557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "vipadenant-GSK-J2 similarity", "source_label": "vipadenant", "target_label": "GSK-J2", "cosine_similarity": 0.2815606594085693 } }, { "source": "CID:44602404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607591", "properties": { "id": "KU-C104133-KU-C104142 similarity", "source_label": "KU-C104133", "target_label": "KU-C104142", "cosine_similarity": 0.3224295973777771 } }, { "source": "CID:6024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10168", "properties": { "id": "cephalothin-rhein similarity", "source_label": "cephalothin", "target_label": "rhein", "cosine_similarity": 0.5668135285377502 } }, { "source": "CID:82148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "agomelatine-CGS-20625 similarity", "source_label": "agomelatine", "target_label": "CGS-20625", "cosine_similarity": 0.3435412645339966 } }, { "source": "CID:5361202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "cefuroxime-UB-165 similarity", "source_label": "cefuroxime", "target_label": "UB-165", "cosine_similarity": 0.326678067445755 } }, { "source": "CID:2764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "ciprofloxacin-rolipram similarity", "source_label": "ciprofloxacin", "target_label": "rolipram", "cosine_similarity": 0.3169963657855987 } }, { "source": "CID:45259137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "VU-0415011-MW-STK33-4C similarity", "source_label": "VU-0415011", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2879622280597687 } }, { "source": "CID:5281613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "diosmin-Y-26763 similarity", "source_label": "diosmin", "target_label": "Y-26763", "cosine_similarity": 0.2995182871818542 } }, { "source": "CID:6918155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "ciclesonide-dexamethasone similarity", "source_label": "ciclesonide", "target_label": "dexamethasone", "cosine_similarity": 0.5894784331321716 } }, { "source": "CID:73707473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "ribostamycin-leucovorin similarity", "source_label": "ribostamycin", "target_label": "leucovorin", "cosine_similarity": 0.2711266279220581 } }, { "source": "CID:44489864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490857", "properties": { "id": "SA-424589-SA-103123 similarity", "source_label": "SA-424589", "target_label": "SA-103123", "cosine_similarity": 0.4231068193912506 } }, { "source": "CID:54658651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657751", "properties": { "id": "SA-1456170-SA-1458306 similarity", "source_label": "SA-1456170", "target_label": "SA-1458306", "cosine_similarity": 0.5231547355651855 } }, { "source": "CID:42433517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2405", "properties": { "id": "baicalin-bisoprolol similarity", "source_label": "baicalin", "target_label": "bisoprolol", "cosine_similarity": 0.2959308922290802 } }, { "source": "CID:45006067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "parthenolide-NSC-632839 similarity", "source_label": "parthenolide", "target_label": "NSC-632839", "cosine_similarity": 0.701758086681366 } }, { "source": "CID:15459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "metaxalone-MW-MITF28 similarity", "source_label": "metaxalone", "target_label": "MW-MITF28", "cosine_similarity": 0.2439385503530502 } }, { "source": "CID:2837663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "foliosidine-ML-161 similarity", "source_label": "foliosidine", "target_label": "ML-161", "cosine_similarity": 0.2949278056621551 } }, { "source": "CID:3744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129228", "properties": { "id": "VP-20629-rufinamide similarity", "source_label": "VP-20629", "target_label": "rufinamide", "cosine_similarity": 0.3206242620944977 } }, { "source": "CID:11715767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "PHA-767491-rucaparib similarity", "source_label": "PHA-767491", "target_label": "rucaparib", "cosine_similarity": 0.5244325995445251 } }, { "source": "CID:44137675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "AZD-6482-PIK-90 similarity", "source_label": "AZD-6482", "target_label": "PIK-90", "cosine_similarity": 0.6057397723197937 } }, { "source": "CID:707029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "EX-527-DL-TBOA similarity", "source_label": "EX-527", "target_label": "DL-TBOA", "cosine_similarity": 0.4289317429065704 } }, { "source": "CID:31549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "anisomycin-verrucarin-a similarity", "source_label": "anisomycin", "target_label": "verrucarin-a", "cosine_similarity": 0.7970592379570007 } }, { "source": "CID:134551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "ergocryptine-cefoxitin similarity", "source_label": "ergocryptine", "target_label": "cefoxitin", "cosine_similarity": 0.2652250528335571 } }, { "source": "CID:73707617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32334", "properties": { "id": "glutamyldopamine-beta-alanine similarity", "source_label": "glutamyldopamine", "target_label": "beta-alanine", "cosine_similarity": 0.2169754952192306 } }, { "source": "CID:11292680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "ARP-101-VU-0418947-2 similarity", "source_label": "ARP-101", "target_label": "VU-0418947-2", "cosine_similarity": 0.5052173137664795 } }, { "source": "CID:73707390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "ON-01910-vincristine similarity", "source_label": "ON-01910", "target_label": "vincristine", "cosine_similarity": 0.5929436087608337 } }, { "source": "CID:5742832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:362328", "properties": { "id": "aztreonam-NSC-625987 similarity", "source_label": "aztreonam", "target_label": "NSC-625987", "cosine_similarity": 0.3098175525665283 } }, { "source": "CID:5280343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "quercetin-macitentan similarity", "source_label": "quercetin", "target_label": "macitentan", "cosine_similarity": 0.6440487504005432 } }, { "source": "CID:9809715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46848036", "properties": { "id": "nintedanib-flumatinib similarity", "source_label": "nintedanib", "target_label": "flumatinib", "cosine_similarity": 0.3227360546588897 } }, { "source": "CID:9810929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2833", "properties": { "id": "dolastatin-10-colchicine similarity", "source_label": "dolastatin-10", "target_label": "colchicine", "cosine_similarity": 0.8351448178291321 } }, { "source": "CID:5707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006158", "properties": { "id": "xylazine-betamethasone-acetate similarity", "source_label": "xylazine", "target_label": "betamethasone-acetate", "cosine_similarity": 0.3268692195415497 } }, { "source": "CID:25051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708769", "properties": { "id": "cyclocytidine-buddleoflavonoloside similarity", "source_label": "cyclocytidine", "target_label": "buddleoflavonoloside", "cosine_similarity": 0.149544671177864 } }, { "source": "CID:3034010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "orlistat-obatoclax similarity", "source_label": "orlistat", "target_label": "obatoclax", "cosine_similarity": 0.5365684628486633 } }, { "source": "CID:5288149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280453", "properties": { "id": "seocalcitol-calcitriol similarity", "source_label": "seocalcitol", "target_label": "calcitriol", "cosine_similarity": 0.4476837813854217 } }, { "source": "CID:4628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:362328", "properties": { "id": "oxolinic-acid-NSC-625987 similarity", "source_label": "oxolinic-acid", "target_label": "NSC-625987", "cosine_similarity": 0.3796009123325348 } }, { "source": "CID:11949652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "teneligliptin-probucol similarity", "source_label": "teneligliptin", "target_label": "probucol", "cosine_similarity": 0.3757052421569824 } }, { "source": "CID:8515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "pyrazolanthrone-ponatinib similarity", "source_label": "pyrazolanthrone", "target_label": "ponatinib", "cosine_similarity": 0.318991869688034 } }, { "source": "CID:4284525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "GR-135531-SA-85268 similarity", "source_label": "GR-135531", "target_label": "SA-85268", "cosine_similarity": 0.2013874053955078 } }, { "source": "CID:19728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "noscapine-CGS-21680 similarity", "source_label": "noscapine", "target_label": "CGS-21680", "cosine_similarity": 0.2995346188545227 } }, { "source": "CID:10113978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24180719", "properties": { "id": "pazopanib-PLX-4720 similarity", "source_label": "pazopanib", "target_label": "PLX-4720", "cosine_similarity": 0.5339112281799316 } }, { "source": "CID:3503044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515709", "properties": { "id": "dihydroobliquin-phenylalanyltyrosine similarity", "source_label": "dihydroobliquin", "target_label": "phenylalanyltyrosine", "cosine_similarity": 0.2455952614545822 } }, { "source": "CID:3964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2662", "properties": { "id": "loxapine-celecoxib similarity", "source_label": "loxapine", "target_label": "celecoxib", "cosine_similarity": 0.471614122390747 } }, { "source": "CID:667511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "tramadol-valsartan similarity", "source_label": "tramadol", "target_label": "valsartan", "cosine_similarity": 0.3683459162712097 } }, { "source": "CID:71657455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "ivosidenib-resatorvid similarity", "source_label": "ivosidenib", "target_label": "resatorvid", "cosine_similarity": 0.2369052171707153 } }, { "source": "CID:24747210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "PSH-027-MW-MITF22 similarity", "source_label": "PSH-027", "target_label": "MW-MITF22", "cosine_similarity": 0.3404627740383148 } }, { "source": "CID:6883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "isosorbide-dinitrate-nilvadipine similarity", "source_label": "isosorbide-dinitrate", "target_label": "nilvadipine", "cosine_similarity": 0.2939091622829437 } }, { "source": "CID:28693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "metergoline-trifluoperazine similarity", "source_label": "metergoline", "target_label": "trifluoperazine", "cosine_similarity": 0.4470086395740509 } }, { "source": "CID:3894573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "RS-17053-NNC-55-0396 similarity", "source_label": "RS-17053", "target_label": "NNC-55-0396", "cosine_similarity": 0.7656335234642029 } }, { "source": "CID:54658741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669462", "properties": { "id": "SA-1459187-SA-1922796 similarity", "source_label": "SA-1459187", "target_label": "SA-1922796", "cosine_similarity": 0.2793299555778503 } }, { "source": "CID:73453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680405", "properties": { "id": "ergocornine-MW-SHH-151 similarity", "source_label": "ergocornine", "target_label": "MW-SHH-151", "cosine_similarity": 0.2358322292566299 } }, { "source": "CID:3611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "hinokitiol-VU-0418934-2 similarity", "source_label": "hinokitiol", "target_label": "VU-0418934-2", "cosine_similarity": 0.6032966375350952 } }, { "source": "CID:6604889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SB-269970-BMS-191011 similarity", "source_label": "SB-269970", "target_label": "BMS-191011", "cosine_similarity": 0.3353961110115051 } }, { "source": "CID:91588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "salsolinol-GW-1929 similarity", "source_label": "salsolinol", "target_label": "GW-1929", "cosine_similarity": 0.3643708527088165 } }, { "source": "CID:44500663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-89763-SA-1459714 similarity", "source_label": "SA-89763", "target_label": "SA-1459714", "cosine_similarity": 0.3531670868396759 } }, { "source": "CID:73265214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9868037", "properties": { "id": "QL-XI-92-OSI-930 similarity", "source_label": "QL-XI-92", "target_label": "OSI-930", "cosine_similarity": 0.3058257699012756 } }, { "source": "CID:443879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6473767", "properties": { "id": "tolterodine-picrotoxin similarity", "source_label": "tolterodine", "target_label": "picrotoxin", "cosine_similarity": 0.1404684782028198 } }, { "source": "CID:3658", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "hydroxyzine-flumethasone-pivalate similarity", "source_label": "hydroxyzine", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.413150429725647 } }, { "source": "CID:2722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121926", "properties": { "id": "chloroxine-ZK-93423 similarity", "source_label": "chloroxine", "target_label": "ZK-93423", "cosine_similarity": 0.3988424837589264 } }, { "source": "CID:160355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "roscovitine-JNJ-7706621 similarity", "source_label": "roscovitine", "target_label": "JNJ-7706621", "cosine_similarity": 0.5378932952880859 } }, { "source": "CID:6446335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "BG-FA-0953-MD-II-008-P similarity", "source_label": "BG-FA-0953", "target_label": "MD-II-008-P", "cosine_similarity": 0.7700278162956238 } }, { "source": "CID:6918508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "BIBX-1382-vandetanib similarity", "source_label": "BIBX-1382", "target_label": "vandetanib", "cosine_similarity": 0.51982581615448 } }, { "source": "CID:151075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:492405", "properties": { "id": "nepafenac-favipiravir similarity", "source_label": "nepafenac", "target_label": "favipiravir", "cosine_similarity": 0.4199725985527038 } }, { "source": "CID:10770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "hexylcaine-PTB1 similarity", "source_label": "hexylcaine", "target_label": "PTB1", "cosine_similarity": 0.2740449905395508 } }, { "source": "CID:54892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51371328", "properties": { "id": "quinapril-estramustine similarity", "source_label": "quinapril", "target_label": "estramustine", "cosine_similarity": 0.3614386916160583 } }, { "source": "CID:3728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "iodoquinol-PD-128907 similarity", "source_label": "iodoquinol", "target_label": "PD-128907", "cosine_similarity": 0.7162204384803772 } }, { "source": "CID:54660437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-1459714-SA-89763 similarity", "source_label": "SA-1459714", "target_label": "SA-89763", "cosine_similarity": 0.3531670868396759 } }, { "source": "CID:6883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "isosorbide-dinitrate-perzinfotel similarity", "source_label": "isosorbide-dinitrate", "target_label": "perzinfotel", "cosine_similarity": 0.2255917340517044 } }, { "source": "CID:3081361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "vandetanib-trifluoperazine similarity", "source_label": "vandetanib", "target_label": "trifluoperazine", "cosine_similarity": 0.6182027459144592 } }, { "source": "CID:5510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "tolnaftate-nateglinide similarity", "source_label": "tolnaftate", "target_label": "nateglinide", "cosine_similarity": 0.5898247957229614 } }, { "source": "CID:82148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5505", "properties": { "id": "agomelatine-tolbutamide similarity", "source_label": "agomelatine", "target_label": "tolbutamide", "cosine_similarity": 0.3616290688514709 } }, { "source": "CID:16126782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601475", "properties": { "id": "HNHA-KUC103903N similarity", "source_label": "HNHA", "target_label": "KUC103903N", "cosine_similarity": 0.2618689239025116 } }, { "source": "CID:5353760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601475", "properties": { "id": "methoprene-acid-KUC103903N similarity", "source_label": "methoprene-acid", "target_label": "KUC103903N", "cosine_similarity": 0.25315722823143 } }, { "source": "CID:3035746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "iodophenpropit-GR-127935 similarity", "source_label": "iodophenpropit", "target_label": "GR-127935", "cosine_similarity": 0.5343289971351624 } }, { "source": "CID:65747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "reserpic-acid-ARG-TC-41 similarity", "source_label": "reserpic-acid", "target_label": "ARG-TC-41", "cosine_similarity": 0.2482692897319793 } }, { "source": "CID:5324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3048", "properties": { "id": "sulfaguanidine-dieldrin similarity", "source_label": "sulfaguanidine", "target_label": "dieldrin", "cosine_similarity": 0.2045509070158004 } }, { "source": "CID:5734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "zonisamide-PF-04620110 similarity", "source_label": "zonisamide", "target_label": "PF-04620110", "cosine_similarity": 0.4041066169738769 } }, { "source": "CID:25019940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "MK-3207-gemfibrozil similarity", "source_label": "MK-3207", "target_label": "gemfibrozil", "cosine_similarity": 0.3689869940280914 } }, { "source": "CID:23874513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "asiaticoside-MK-212 similarity", "source_label": "asiaticoside", "target_label": "MK-212", "cosine_similarity": 0.2572539150714874 } }, { "source": "CID:25118059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "BG-1005-HC-toxin similarity", "source_label": "BG-1005", "target_label": "HC-toxin", "cosine_similarity": 0.7174674272537231 } }, { "source": "CID:604519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "ipidacrine-pentoxifylline similarity", "source_label": "ipidacrine", "target_label": "pentoxifylline", "cosine_similarity": 0.1751594543457031 } }, { "source": "CID:151819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "BL-050-myriocin similarity", "source_label": "BL-050", "target_label": "myriocin", "cosine_similarity": 0.2915158569812774 } }, { "source": "CID:11438771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42642648", "properties": { "id": "basimglurant-ARRY-334543 similarity", "source_label": "basimglurant", "target_label": "ARRY-334543", "cosine_similarity": 0.3708952665328979 } }, { "source": "CID:54596143", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "TUL-XX023-MW-STK33-2B similarity", "source_label": "TUL-XX023", "target_label": "MW-STK33-2B", "cosine_similarity": 0.5747389197349548 } }, { "source": "CID:5311340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57662985", "properties": { "id": "JTC-801-BMS-833923 similarity", "source_label": "JTC-801", "target_label": "BMS-833923", "cosine_similarity": 0.324353277683258 } }, { "source": "CID:5504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "tolazoline-SAL-1 similarity", "source_label": "tolazoline", "target_label": "SAL-1", "cosine_similarity": 0.2504621148109436 } }, { "source": "CID:464205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "tenofovir-piperacillin similarity", "source_label": "tenofovir", "target_label": "piperacillin", "cosine_similarity": 0.309672862291336 } }, { "source": "CID:10385095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "MST-312-PAC-1 similarity", "source_label": "MST-312", "target_label": "PAC-1", "cosine_similarity": 0.4343830645084381 } }, { "source": "CID:9936746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "OTX-015-I-BET-762 similarity", "source_label": "OTX-015", "target_label": "I-BET-762", "cosine_similarity": 0.8076143860816956 } }, { "source": "CID:135399748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3387354", "properties": { "id": "CHIR-124-SB-218078 similarity", "source_label": "CHIR-124", "target_label": "SB-218078", "cosine_similarity": 0.6328902840614319 } }, { "source": "CID:45006067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "parthenolide-RS-I-002-6 similarity", "source_label": "parthenolide", "target_label": "RS-I-002-6", "cosine_similarity": 0.6523451805114746 } }, { "source": "CID:5656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "venlafaxine-vinpocetine similarity", "source_label": "venlafaxine", "target_label": "vinpocetine", "cosine_similarity": 0.3993227779865265 } }, { "source": "CID:27806705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "oxymetholone-K784-3131 similarity", "source_label": "oxymetholone", "target_label": "K784-3131", "cosine_similarity": 0.3857690989971161 } }, { "source": "CID:3503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "gossypol-tyrphostin-A9 similarity", "source_label": "gossypol", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5386773943901062 } }, { "source": "CID:44247542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1282817", "properties": { "id": "VU-0402604-KUC104240N similarity", "source_label": "VU-0402604", "target_label": "KUC104240N", "cosine_similarity": 0.2452488988637924 } }, { "source": "CID:54659373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1456305-SA-1459714 similarity", "source_label": "SA-1456305", "target_label": "SA-1459714", "cosine_similarity": 0.5047638416290283 } }, { "source": "CID:3816756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "AT-SUMO-1-NSC-632839 similarity", "source_label": "AT-SUMO-1", "target_label": "NSC-632839", "cosine_similarity": 0.6869183778762817 } }, { "source": "CID:10302451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "saracatinib-dasatinib similarity", "source_label": "saracatinib", "target_label": "dasatinib", "cosine_similarity": 0.6398875117301941 } }, { "source": "CID:2895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1176", "properties": { "id": "cyclobenzaprine-urea similarity", "source_label": "cyclobenzaprine", "target_label": "urea", "cosine_similarity": 0.42145437002182 } }, { "source": "CID:65015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "plerixafor-apocynin similarity", "source_label": "plerixafor", "target_label": "apocynin", "cosine_similarity": 0.3247188925743103 } }, { "source": "CID:4533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "nor-binaltorphimine-darinaparsin similarity", "source_label": "nor-binaltorphimine", "target_label": "darinaparsin", "cosine_similarity": 0.2398062497377395 } }, { "source": "CID:2689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "CGS-12066B-sibutramine similarity", "source_label": "CGS-12066B", "target_label": "sibutramine", "cosine_similarity": 0.3357485830783844 } }, { "source": "CID:3016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "diazepam-ipratropium similarity", "source_label": "diazepam", "target_label": "ipratropium", "cosine_similarity": 0.2862973809242248 } }, { "source": "CID:5240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "iodoacetic-acid-EMF-sumo1-39 similarity", "source_label": "iodoacetic-acid", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.6663268804550171 } }, { "source": "CID:10474339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "BMS-191011-YK-4279 similarity", "source_label": "BMS-191011", "target_label": "YK-4279", "cosine_similarity": 0.5820385217666626 } }, { "source": "CID:122077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "SR-27897-yohimbine similarity", "source_label": "SR-27897", "target_label": "yohimbine", "cosine_similarity": 0.4263151884078979 } }, { "source": "CID:2736690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "IBC-293-pemoline similarity", "source_label": "IBC-293", "target_label": "pemoline", "cosine_similarity": 0.2949225902557373 } }, { "source": "CID:5311493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "U-46619-naloxone similarity", "source_label": "U-46619", "target_label": "naloxone", "cosine_similarity": 0.279472291469574 } }, { "source": "CID:47965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "cefadroxil-fisetin similarity", "source_label": "cefadroxil", "target_label": "fisetin", "cosine_similarity": 0.2035601735115051 } }, { "source": "CID:52914946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51358113", "properties": { "id": "GSK-2126458-torin-2 similarity", "source_label": "GSK-2126458", "target_label": "torin-2", "cosine_similarity": 0.7118517756462097 } }, { "source": "CID:8433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "dibenzoylmethane-GW-9508 similarity", "source_label": "dibenzoylmethane", "target_label": "GW-9508", "cosine_similarity": 0.2816330790519714 } }, { "source": "CID:3166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "drofenine-flumethasone-pivalate similarity", "source_label": "drofenine", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.4865815937519073 } }, { "source": "CID:44247542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4485", "properties": { "id": "VU-0402604-nifedipine similarity", "source_label": "VU-0402604", "target_label": "nifedipine", "cosine_similarity": 0.2560579180717468 } }, { "source": "CID:57390074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25254071", "properties": { "id": "AP-26113-GDC-0980 similarity", "source_label": "AP-26113", "target_label": "GDC-0980", "cosine_similarity": 0.5025526285171509 } }, { "source": "CID:2356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4817", "properties": { "id": "bergenin-pifithrin-alpha similarity", "source_label": "bergenin", "target_label": "pifithrin-alpha", "cosine_similarity": 0.2445777356624603 } }, { "source": "CID:73602827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56839178", "properties": { "id": "THZ-1-TP-0903 similarity", "source_label": "THZ-1", "target_label": "TP-0903", "cosine_similarity": 0.3947558104991913 } }, { "source": "CID:54657734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490224", "properties": { "id": "SA-1459173-SA-101841 similarity", "source_label": "SA-1459173", "target_label": "SA-101841", "cosine_similarity": 0.3311917781829834 } }, { "source": "CID:24856224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2203170", "properties": { "id": "FU-JMBII113B-EMF-sumo1-2 similarity", "source_label": "FU-JMBII113B", "target_label": "EMF-sumo1-2", "cosine_similarity": 0.2601750791072845 } }, { "source": "CID:16667686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "ajmaline-phenothrin similarity", "source_label": "ajmaline", "target_label": "phenothrin", "cosine_similarity": 0.4883178472518921 } }, { "source": "CID:10437018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50312", "properties": { "id": "BMS-599626-fiacitabine similarity", "source_label": "BMS-599626", "target_label": "fiacitabine", "cosine_similarity": 0.2771558761596679 } }, { "source": "CID:46931242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "UNC-669-GW-5074 similarity", "source_label": "UNC-669", "target_label": "GW-5074", "cosine_similarity": 0.3853693604469299 } }, { "source": "CID:24747193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1716436", "properties": { "id": "JAS07-005-JMW-MITF1 similarity", "source_label": "JAS07-005", "target_label": "JMW-MITF1", "cosine_similarity": 0.3104575276374817 } }, { "source": "CID:3085219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "mirtazapine-CO-102862 similarity", "source_label": "mirtazapine", "target_label": "CO-102862", "cosine_similarity": 0.4363259375095367 } }, { "source": "CID:2817908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "JFD02227-EXO-1 similarity", "source_label": "JFD02227", "target_label": "EXO-1", "cosine_similarity": 0.2850721478462219 } }, { "source": "CID:476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "mevalonic-acid-XAV-939 similarity", "source_label": "mevalonic-acid", "target_label": "XAV-939", "cosine_similarity": 0.2233417481184005 } }, { "source": "CID:9930049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41693", "properties": { "id": "vernakalant-sufentanil similarity", "source_label": "vernakalant", "target_label": "sufentanil", "cosine_similarity": 0.3359697163105011 } }, { "source": "CID:68617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "sertraline-trifluoperazine similarity", "source_label": "sertraline", "target_label": "trifluoperazine", "cosine_similarity": 0.7329805493354797 } }, { "source": "CID:7015679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54459", "properties": { "id": "eseroline-idazoxan similarity", "source_label": "eseroline", "target_label": "idazoxan", "cosine_similarity": 0.1895148009061813 } }, { "source": "CID:9863672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123619", "properties": { "id": "ripasudil-etoricoxib similarity", "source_label": "ripasudil", "target_label": "etoricoxib", "cosine_similarity": 0.5008811950683594 } }, { "source": "CID:3326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "famprofazone-nelfinavir similarity", "source_label": "famprofazone", "target_label": "nelfinavir", "cosine_similarity": 0.258848637342453 } }, { "source": "CID:4057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "mepenzolate-cephalothin similarity", "source_label": "mepenzolate", "target_label": "cephalothin", "cosine_similarity": 0.2747533023357391 } }, { "source": "CID:49835877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441728", "properties": { "id": "BJM-AF-64-deltaline similarity", "source_label": "BJM-AF-64", "target_label": "deltaline", "cosine_similarity": 0.2499463856220245 } }, { "source": "CID:4139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17748", "properties": { "id": "methylene-blue-quinoclamine similarity", "source_label": "methylene-blue", "target_label": "quinoclamine", "cosine_similarity": 0.3778203427791595 } }, { "source": "CID:23727689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12001014", "properties": { "id": "almorexant-mirodenafil similarity", "source_label": "almorexant", "target_label": "mirodenafil", "cosine_similarity": 0.3397262692451477 } }, { "source": "CID:16123056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25033539", "properties": { "id": "voxtalisib-PF-04691502 similarity", "source_label": "voxtalisib", "target_label": "PF-04691502", "cosine_similarity": 0.6563898324966431 } }, { "source": "CID:28693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "metergoline-tamoxifen similarity", "source_label": "metergoline", "target_label": "tamoxifen", "cosine_similarity": 0.4679595828056335 } }, { "source": "CID:24856238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "FU-JMBII227B-MD-II-051 similarity", "source_label": "FU-JMBII227B", "target_label": "MD-II-051", "cosine_similarity": 0.4125245809555053 } }, { "source": "CID:33630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "penfluridol-LY-215490 similarity", "source_label": "penfluridol", "target_label": "LY-215490", "cosine_similarity": 0.3902751505374908 } }, { "source": "CID:9549305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "PQ-401-NNC-55-0396 similarity", "source_label": "PQ-401", "target_label": "NNC-55-0396", "cosine_similarity": 0.2270785272121429 } }, { "source": "CID:44483355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2743956", "properties": { "id": "embelin-SPB02137 similarity", "source_label": "embelin", "target_label": "SPB02137", "cosine_similarity": 0.3157709240913391 } }, { "source": "CID:253078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "GANT-58-EMF-csc-9 similarity", "source_label": "GANT-58", "target_label": "EMF-csc-9", "cosine_similarity": 0.3388520181179046 } }, { "source": "CID:5283393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "arachidonamide-FTI-276 similarity", "source_label": "arachidonamide", "target_label": "FTI-276", "cosine_similarity": 0.3166007101535797 } }, { "source": "CID:5310993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3009355", "properties": { "id": "acipimox-vicriviroc similarity", "source_label": "acipimox", "target_label": "vicriviroc", "cosine_similarity": 0.2777459025382995 } }, { "source": "CID:23649154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "tegobuvir-lorcaserin similarity", "source_label": "tegobuvir", "target_label": "lorcaserin", "cosine_similarity": 0.3606507182121277 } }, { "source": "CID:5369716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "verrucarin-a-emetine similarity", "source_label": "verrucarin-a", "target_label": "emetine", "cosine_similarity": 0.7768816351890564 } }, { "source": "CID:5312557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "docosatrienoic-acid-SD-6-035-A8 similarity", "source_label": "docosatrienoic-acid", "target_label": "SD-6-035-A8", "cosine_similarity": 0.2411515414714813 } }, { "source": "CID:3000540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "lincomycin-DAC-004 similarity", "source_label": "lincomycin", "target_label": "DAC-004", "cosine_similarity": 0.1799683272838592 } }, { "source": "CID:5565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863367", "properties": { "id": "trientine-SB-242235 similarity", "source_label": "trientine", "target_label": "SB-242235", "cosine_similarity": 0.3147357702255249 } }, { "source": "CID:44500998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "SA-245650-EMF-csc-9 similarity", "source_label": "SA-245650", "target_label": "EMF-csc-9", "cosine_similarity": 0.2877438068389892 } }, { "source": "CID:3446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2123", "properties": { "id": "gabapentin-altretamine similarity", "source_label": "gabapentin", "target_label": "altretamine", "cosine_similarity": 0.2730182707309723 } }, { "source": "CID:54657736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657739", "properties": { "id": "SA-1460224-SA-1458189 similarity", "source_label": "SA-1460224", "target_label": "SA-1458189", "cosine_similarity": 0.2403321862220764 } }, { "source": "CID:6708778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "teniposide-irinotecan similarity", "source_label": "teniposide", "target_label": "irinotecan", "cosine_similarity": 0.7329027056694031 } }, { "source": "CID:5494449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67077825", "properties": { "id": "tozasertib-AZD-7762 similarity", "source_label": "tozasertib", "target_label": "AZD-7762", "cosine_similarity": 0.4207334220409393 } }, { "source": "CID:68085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "dictamnine-APO-866 similarity", "source_label": "dictamnine", "target_label": "APO-866", "cosine_similarity": 0.3944394290447235 } }, { "source": "CID:3385203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "GTP-14564-JAS07-006 similarity", "source_label": "GTP-14564", "target_label": "JAS07-006", "cosine_similarity": 0.1999973058700561 } }, { "source": "CID:10446295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "JNJ-10191584-PT-630 similarity", "source_label": "JNJ-10191584", "target_label": "PT-630", "cosine_similarity": 0.3245625495910644 } }, { "source": "CID:54658669", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9860529", "properties": { "id": "SA-1456227-NU-7026 similarity", "source_label": "SA-1456227", "target_label": "NU-7026", "cosine_similarity": 0.261822909116745 } }, { "source": "CID:5284566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "granisetron-ICI-162846 similarity", "source_label": "granisetron", "target_label": "ICI-162846", "cosine_similarity": 0.6316555142402649 } }, { "source": "CID:50910523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "ARG-CSC-91-bucladesine similarity", "source_label": "ARG-CSC-91", "target_label": "bucladesine", "cosine_similarity": 0.3789807260036468 } }, { "source": "CID:46742345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "VU-0418939-2-VU-0418934-2 similarity", "source_label": "VU-0418939-2", "target_label": "VU-0418934-2", "cosine_similarity": 0.8853684067726135 } }, { "source": "CID:4748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10947895", "properties": { "id": "perphenazine-paroxetine similarity", "source_label": "perphenazine", "target_label": "paroxetine", "cosine_similarity": 0.7221639752388 } }, { "source": "CID:188914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "BD-1047-ASN-05257430 similarity", "source_label": "BD-1047", "target_label": "ASN-05257430", "cosine_similarity": 0.275586187839508 } }, { "source": "CID:44630538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "KU-C104254-KU-C104486 similarity", "source_label": "KU-C104254", "target_label": "KU-C104486", "cosine_similarity": 0.2385526299476623 } }, { "source": "CID:9874838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "T-98475-GR-127935 similarity", "source_label": "T-98475", "target_label": "GR-127935", "cosine_similarity": 0.6589880585670471 } }, { "source": "CID:4091", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561383", "properties": { "id": "metformin-nesbuvir similarity", "source_label": "metformin", "target_label": "nesbuvir", "cosine_similarity": 0.4340272545814514 } }, { "source": "CID:44602374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1510378", "properties": { "id": "KU-C104122-KU-C103671 similarity", "source_label": "KU-C104122", "target_label": "KU-C103671", "cosine_similarity": 0.2677382230758667 } }, { "source": "CID:129009888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "ursodiol-aclidinium similarity", "source_label": "ursodiol", "target_label": "aclidinium", "cosine_similarity": 0.410409539937973 } }, { "source": "CID:3853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5576", "properties": { "id": "L-745870-trimethadione similarity", "source_label": "L-745870", "target_label": "trimethadione", "cosine_similarity": 0.2025408893823623 } }, { "source": "CID:6445533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "dacinostat-scriptaid similarity", "source_label": "dacinostat", "target_label": "scriptaid", "cosine_similarity": 0.8538491129875183 } }, { "source": "CID:60785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "fananserin-lenalidomide similarity", "source_label": "fananserin", "target_label": "lenalidomide", "cosine_similarity": 0.2820373177528381 } }, { "source": "CID:133621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "imiloxan-ICI-162846 similarity", "source_label": "imiloxan", "target_label": "ICI-162846", "cosine_similarity": 0.5535440444946289 } }, { "source": "CID:4462449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "CAY-10578-EMF-sumo1-6 similarity", "source_label": "CAY-10578", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2547411918640136 } }, { "source": "CID:91270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "moexipril-levosulpiride similarity", "source_label": "moexipril", "target_label": "levosulpiride", "cosine_similarity": 0.2418534308671951 } }, { "source": "CID:129009963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "cabazitaxel-KX-2391 similarity", "source_label": "cabazitaxel", "target_label": "KX-2391", "cosine_similarity": 0.8437714576721191 } }, { "source": "CID:5352062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "romidepsin-vorinostat similarity", "source_label": "romidepsin", "target_label": "vorinostat", "cosine_similarity": 0.7601211667060852 } }, { "source": "CID:41684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "nitazoxanide-CGP-71683 similarity", "source_label": "nitazoxanide", "target_label": "CGP-71683", "cosine_similarity": 0.493385910987854 } }, { "source": "CID:637568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "dimethyl-fumarate-tazobactam similarity", "source_label": "dimethyl-fumarate", "target_label": "tazobactam", "cosine_similarity": 0.4351084530353546 } }, { "source": "CID:5491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "tetramethylsilane-Y-27632 similarity", "source_label": "tetramethylsilane", "target_label": "Y-27632", "cosine_similarity": 0.2910480201244354 } }, { "source": "CID:107967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "FK-888-meglitinide similarity", "source_label": "FK-888", "target_label": "meglitinide", "cosine_similarity": 0.373110681772232 } }, { "source": "CID:4472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "nialamide-XAV-939 similarity", "source_label": "nialamide", "target_label": "XAV-939", "cosine_similarity": 0.2633819282054901 } }, { "source": "CID:86101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "epidepride-meropenem similarity", "source_label": "epidepride", "target_label": "meropenem", "cosine_similarity": 0.2340739965438842 } }, { "source": "CID:62959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60751", "properties": { "id": "trovafloxacin-temoporfin similarity", "source_label": "trovafloxacin", "target_label": "temoporfin", "cosine_similarity": 0.443434476852417 } }, { "source": "CID:54676537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3332", "properties": { "id": "acenocoumarol-felbinac similarity", "source_label": "acenocoumarol", "target_label": "felbinac", "cosine_similarity": 0.3009522259235382 } }, { "source": "CID:24775005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "sonidegib-DL-PDMP similarity", "source_label": "sonidegib", "target_label": "DL-PDMP", "cosine_similarity": 0.3849023878574371 } }, { "source": "CID:60184895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185177", "properties": { "id": "SA-1939938-SA-1925246 similarity", "source_label": "SA-1939938", "target_label": "SA-1925246", "cosine_similarity": 0.5218443274497986 } }, { "source": "CID:702558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "RG-108-myriocin similarity", "source_label": "RG-108", "target_label": "myriocin", "cosine_similarity": 0.4076938331127167 } }, { "source": "CID:9820766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "PD-160170-7b-cis similarity", "source_label": "PD-160170", "target_label": "7b-cis", "cosine_similarity": 0.3869539797306061 } }, { "source": "CID:126688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "amthamine-7-nitroindazole similarity", "source_label": "amthamine", "target_label": "7-nitroindazole", "cosine_similarity": 0.3065094649791717 } }, { "source": "CID:44640181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707419", "properties": { "id": "KU-C104495-chromomycin-a3 similarity", "source_label": "KU-C104495", "target_label": "chromomycin-a3", "cosine_similarity": 0.4121225774288177 } }, { "source": "CID:73707600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707537", "properties": { "id": "APEC-BG-1008 similarity", "source_label": "APEC", "target_label": "BG-1008", "cosine_similarity": 0.1968218088150024 } }, { "source": "CID:5382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "TCPOBOP-EMF-sumo1-6 similarity", "source_label": "TCPOBOP", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.3933357000350952 } }, { "source": "CID:1687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "3-CPMT-PD-128907 similarity", "source_label": "3-CPMT", "target_label": "PD-128907", "cosine_similarity": 0.5915583968162537 } }, { "source": "CID:2834356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23844163", "properties": { "id": "ST-003833-NK42-I-109-1 similarity", "source_label": "ST-003833", "target_label": "NK42-I-109-1", "cosine_similarity": 0.2049913853406906 } }, { "source": "CID:44199317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "AZD-2461-orciprenaline similarity", "source_label": "AZD-2461", "target_label": "orciprenaline", "cosine_similarity": 0.3212029933929443 } }, { "source": "CID:9549298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "IKK-16-CGP-71683 similarity", "source_label": "IKK-16", "target_label": "CGP-71683", "cosine_similarity": 0.4295844733715057 } }, { "source": "CID:65016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "amprenavir-CGS-21680 similarity", "source_label": "amprenavir", "target_label": "CGS-21680", "cosine_similarity": 0.2260094135999679 } }, { "source": "CID:9934", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "timonacic-PF-03084014 similarity", "source_label": "timonacic", "target_label": "PF-03084014", "cosine_similarity": 0.3499231934547424 } }, { "source": "CID:3342390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "K-788-2192-lapatinib similarity", "source_label": "K-788-2192", "target_label": "lapatinib", "cosine_similarity": 0.2893213033676147 } }, { "source": "CID:46740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "Ro-04-5595-PD-98059 similarity", "source_label": "Ro-04-5595", "target_label": "PD-98059", "cosine_similarity": 0.2209508717060089 } }, { "source": "CID:54657739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "SA-1458189-yohimbine similarity", "source_label": "SA-1458189", "target_label": "yohimbine", "cosine_similarity": 0.259758323431015 } }, { "source": "CID:2446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "bromopride-MM77 similarity", "source_label": "bromopride", "target_label": "MM77", "cosine_similarity": 0.3526175618171692 } }, { "source": "CID:4806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "phthalylsulfathiazole-rolipram similarity", "source_label": "phthalylsulfathiazole", "target_label": "rolipram", "cosine_similarity": 0.2617385685443878 } }, { "source": "CID:16220051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "tunicamycin-I-070759 similarity", "source_label": "tunicamycin", "target_label": "I-070759", "cosine_similarity": 0.5504524111747742 } }, { "source": "CID:60923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "quiflapon-neratinib similarity", "source_label": "quiflapon", "target_label": "neratinib", "cosine_similarity": 0.394761860370636 } }, { "source": "CID:228398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "L-theanine-acrivastine similarity", "source_label": "L-theanine", "target_label": "acrivastine", "cosine_similarity": 0.1674540638923645 } }, { "source": "CID:4262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43345", "properties": { "id": "MT-21-P-1075 similarity", "source_label": "MT-21", "target_label": "P-1075", "cosine_similarity": 0.2195345759391784 } }, { "source": "CID:2663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12801781", "properties": { "id": "celiprolol-imipenem similarity", "source_label": "celiprolol", "target_label": "imipenem", "cosine_similarity": 0.2552382946014404 } }, { "source": "CID:44493156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "SA-83851-SA-423131 similarity", "source_label": "SA-83851", "target_label": "SA-423131", "cosine_similarity": 0.2419609129428863 } }, { "source": "CID:443879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47472", "properties": { "id": "tolterodine-butoconazole similarity", "source_label": "tolterodine", "target_label": "butoconazole", "cosine_similarity": 0.1467310488224029 } }, { "source": "CID:56971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "ipsapirone-phenothiazine similarity", "source_label": "ipsapirone", "target_label": "phenothiazine", "cosine_similarity": 0.2685583829879761 } }, { "source": "CID:870371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "STK-222600-herniarin similarity", "source_label": "STK-222600", "target_label": "herniarin", "cosine_similarity": 0.32274329662323 } }, { "source": "CID:6077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4462449", "properties": { "id": "acepromazine-CAY-10578 similarity", "source_label": "acepromazine", "target_label": "CAY-10578", "cosine_similarity": 0.2570395469665527 } }, { "source": "CID:2797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "clofibric-acid-nemonapride similarity", "source_label": "clofibric-acid", "target_label": "nemonapride", "cosine_similarity": 0.5736133456230164 } }, { "source": "CID:135413536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9941444", "properties": { "id": "aprepitant-pasireotide similarity", "source_label": "aprepitant", "target_label": "pasireotide", "cosine_similarity": 0.2079199403524398 } }, { "source": "CID:128563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2377", "properties": { "id": "salvinorin-a-bifemelane similarity", "source_label": "salvinorin-a", "target_label": "bifemelane", "cosine_similarity": 0.4000600278377533 } }, { "source": "CID:39981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "sparfosic-acid-myriocin similarity", "source_label": "sparfosic-acid", "target_label": "myriocin", "cosine_similarity": 0.5465506315231323 } }, { "source": "CID:3925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "QX-314-fumonisin-b1 similarity", "source_label": "QX-314", "target_label": "fumonisin-b1", "cosine_similarity": 0.2872918248176574 } }, { "source": "CID:701939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:906542", "properties": { "id": "MW-A1-12-STK-249718 similarity", "source_label": "MW-A1-12", "target_label": "STK-249718", "cosine_similarity": 0.4793180823326111 } }, { "source": "CID:5282493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "clocortolone-pivalate-clobetasol similarity", "source_label": "clocortolone-pivalate", "target_label": "clobetasol", "cosine_similarity": 0.6208648681640625 } }, { "source": "CID:54657706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-1459261-SA-89735 similarity", "source_label": "SA-1459261", "target_label": "SA-89735", "cosine_similarity": 0.2334478497505188 } }, { "source": "CID:2082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2929", "properties": { "id": "albendazole-indibulin similarity", "source_label": "albendazole", "target_label": "indibulin", "cosine_similarity": 0.6493682861328125 } }, { "source": "CID:18343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12001014", "properties": { "id": "doxifluridine-mirodenafil similarity", "source_label": "doxifluridine", "target_label": "mirodenafil", "cosine_similarity": 0.3180044293403625 } }, { "source": "CID:638034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "retinyl-pifithrin-mu similarity", "source_label": "retinyl", "target_label": "pifithrin-mu", "cosine_similarity": 0.2510923147201538 } }, { "source": "CID:68617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "sertraline-tamoxifen similarity", "source_label": "sertraline", "target_label": "tamoxifen", "cosine_similarity": 0.7460057735443115 } }, { "source": "CID:2913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131747", "properties": { "id": "cyproheptadine-SR-57227A similarity", "source_label": "cyproheptadine", "target_label": "SR-57227A", "cosine_similarity": 0.3320707380771637 } }, { "source": "CID:4178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "mexiletine-TAK-715 similarity", "source_label": "mexiletine", "target_label": "TAK-715", "cosine_similarity": 0.2789227664470672 } }, { "source": "CID:12492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92786", "properties": { "id": "clopamide-eltanolone similarity", "source_label": "clopamide", "target_label": "eltanolone", "cosine_similarity": 0.3193977773189544 } }, { "source": "CID:6604933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "WAY-629-hydroxyamphetamine similarity", "source_label": "WAY-629", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.2725524008274078 } }, { "source": "CID:121930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "LY-165163-CAM-9-027-3 similarity", "source_label": "LY-165163", "target_label": "CAM-9-027-3", "cosine_similarity": 0.2871090769767761 } }, { "source": "CID:24776445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "vismodegib-naftifine similarity", "source_label": "vismodegib", "target_label": "naftifine", "cosine_similarity": 0.3778498470783233 } }, { "source": "CID:122295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3950", "properties": { "id": "SKF-104078-lomustine similarity", "source_label": "SKF-104078", "target_label": "lomustine", "cosine_similarity": 0.1644575148820877 } }, { "source": "CID:44483325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "austricine-XAV-939 similarity", "source_label": "austricine", "target_label": "XAV-939", "cosine_similarity": 0.3110451102256775 } }, { "source": "CID:3053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:897475", "properties": { "id": "pentetic-acid-ARG-CSC-81 similarity", "source_label": "pentetic-acid", "target_label": "ARG-CSC-81", "cosine_similarity": 0.1895922571420669 } }, { "source": "CID:439654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "scoulerine-chelidonine similarity", "source_label": "scoulerine", "target_label": "chelidonine", "cosine_similarity": 0.3072469234466553 } }, { "source": "CID:24800541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "delanzomib-ixazomib similarity", "source_label": "delanzomib", "target_label": "ixazomib", "cosine_similarity": 0.8448470234870911 } }, { "source": "CID:16793302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707549", "properties": { "id": "BG-1016-BG-1010 similarity", "source_label": "BG-1016", "target_label": "BG-1010", "cosine_similarity": 0.5780220627784729 } }, { "source": "CID:5288149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288783", "properties": { "id": "seocalcitol-calcipotriol similarity", "source_label": "seocalcitol", "target_label": "calcipotriol", "cosine_similarity": 0.4801250696182251 } }, { "source": "CID:24737642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "LCL-161-entecavir similarity", "source_label": "LCL-161", "target_label": "entecavir", "cosine_similarity": 0.3876245319843292 } }, { "source": "CID:3052776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "rasagiline-A-769662 similarity", "source_label": "rasagiline", "target_label": "A-769662", "cosine_similarity": 0.3254587054252624 } }, { "source": "CID:6610273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "C2-dihydroceramide-tetrahydrouridine similarity", "source_label": "C2-dihydroceramide", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3958342671394348 } }, { "source": "CID:73707538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1009-BG-1032 similarity", "source_label": "BG-1009", "target_label": "BG-1032", "cosine_similarity": 0.3837900757789612 } }, { "source": "CID:11957615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6334600", "properties": { "id": "lisuride-hyoscyamine similarity", "source_label": "lisuride", "target_label": "hyoscyamine", "cosine_similarity": 0.2616047263145447 } }, { "source": "CID:44483393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "SA-85901-amifostine similarity", "source_label": "SA-85901", "target_label": "amifostine", "cosine_similarity": 0.308366984128952 } }, { "source": "CID:1130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "thiamine-TUL_XX087 similarity", "source_label": "thiamine", "target_label": "TUL_XX087", "cosine_similarity": 0.2344894707202911 } }, { "source": "CID:2797577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25267262", "properties": { "id": "SRPIN-340-E-7449 similarity", "source_label": "SRPIN-340", "target_label": "E-7449", "cosine_similarity": 0.3924300968647003 } }, { "source": "CID:54658692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54616417", "properties": { "id": "SA-1458163-SA-424755 similarity", "source_label": "SA-1458163", "target_label": "SA-424755", "cosine_similarity": 0.3007877171039581 } }, { "source": "CID:54658771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669462", "properties": { "id": "SA-1459430-SA-1922796 similarity", "source_label": "SA-1459430", "target_label": "SA-1922796", "cosine_similarity": 0.2610431909561157 } }, { "source": "CID:3540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "H-8-NU-1025 similarity", "source_label": "H-8", "target_label": "NU-1025", "cosine_similarity": 0.2664214670658111 } }, { "source": "CID:5324346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034756", "properties": { "id": "fluvoxamine-formoterol similarity", "source_label": "fluvoxamine", "target_label": "formoterol", "cosine_similarity": 0.4982949197292328 } }, { "source": "CID:657237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104758", "properties": { "id": "fludarabine-raltitrexed similarity", "source_label": "fludarabine", "target_label": "raltitrexed", "cosine_similarity": 0.3855465054512024 } }, { "source": "CID:129989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "AQ-RA741-CV-1808 similarity", "source_label": "AQ-RA741", "target_label": "CV-1808", "cosine_similarity": 0.2269280850887298 } }, { "source": "CID:73707419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "chromomycin-a3-alvocidib similarity", "source_label": "chromomycin-a3", "target_label": "alvocidib", "cosine_similarity": 0.730431318283081 } }, { "source": "CID:10096344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4167", "properties": { "id": "linagliptin-metixene similarity", "source_label": "linagliptin", "target_label": "metixene", "cosine_similarity": 0.3652744591236114 } }, { "source": "CID:11552706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "losmapimod-fomepizole similarity", "source_label": "losmapimod", "target_label": "fomepizole", "cosine_similarity": 0.4167547523975372 } }, { "source": "CID:3005573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "toremifene-amiodarone similarity", "source_label": "toremifene", "target_label": "amiodarone", "cosine_similarity": 0.4290537238121032 } }, { "source": "CID:854019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "cotinine-liranaftate similarity", "source_label": "cotinine", "target_label": "liranaftate", "cosine_similarity": 0.2509832382202148 } }, { "source": "CID:12385463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708684", "properties": { "id": "KU-C103670-scopoline similarity", "source_label": "KU-C103670", "target_label": "scopoline", "cosine_similarity": 0.245468869805336 } }, { "source": "CID:4883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "practolol-fatostatin similarity", "source_label": "practolol", "target_label": "fatostatin", "cosine_similarity": 0.3051648139953613 } }, { "source": "CID:15723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "azacyclonol-alitretinoin similarity", "source_label": "azacyclonol", "target_label": "alitretinoin", "cosine_similarity": 0.2219525128602981 } }, { "source": "CID:7020214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "Val-Val-Val-pirfenidone similarity", "source_label": "Val-Val-Val", "target_label": "pirfenidone", "cosine_similarity": 0.2191015928983688 } }, { "source": "CID:46903876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "SD-6-035-A12-alpha-tocopherol similarity", "source_label": "SD-6-035-A12", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2599093616008758 } }, { "source": "CID:5324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4410", "properties": { "id": "sulfaguanidine-nadifloxacin similarity", "source_label": "sulfaguanidine", "target_label": "nadifloxacin", "cosine_similarity": 0.2127540409564972 } }, { "source": "CID:5281222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "butein-SA-792709 similarity", "source_label": "butein", "target_label": "SA-792709", "cosine_similarity": 0.6607620120048523 } }, { "source": "CID:24747172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "PSH-022-tetrahydrouridine similarity", "source_label": "PSH-022", "target_label": "tetrahydrouridine", "cosine_similarity": 0.2951737642288208 } }, { "source": "CID:37542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9824562", "properties": { "id": "ribavirin-andarine similarity", "source_label": "ribavirin", "target_label": "andarine", "cosine_similarity": 0.2552693784236908 } }, { "source": "CID:73707348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "anthothecol-withaferin-a similarity", "source_label": "anthothecol", "target_label": "withaferin-a", "cosine_similarity": 0.5775929093360901 } }, { "source": "CID:1776583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "JAS07-006-lasalocid similarity", "source_label": "JAS07-006", "target_label": "lasalocid", "cosine_similarity": 0.6044541597366333 } }, { "source": "CID:3467177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353852", "properties": { "id": "DH-97-oxamflatin similarity", "source_label": "DH-97", "target_label": "oxamflatin", "cosine_similarity": 0.1669173240661621 } }, { "source": "CID:5401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691928", "properties": { "id": "terazosin-ST-4029655 similarity", "source_label": "terazosin", "target_label": "ST-4029655", "cosine_similarity": 0.2643190622329712 } }, { "source": "CID:3275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "etafenone-DL-PDMP similarity", "source_label": "etafenone", "target_label": "DL-PDMP", "cosine_similarity": 0.2365423142910003 } }, { "source": "CID:50910523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "ARG-CSC-91-myriocin similarity", "source_label": "ARG-CSC-91", "target_label": "myriocin", "cosine_similarity": 0.3772721886634826 } }, { "source": "CID:5163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048845", "properties": { "id": "SB-206553-TCS-359 similarity", "source_label": "SB-206553", "target_label": "TCS-359", "cosine_similarity": 0.3404639661312103 } }, { "source": "CID:123630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2377", "properties": { "id": "tazobactam-bifemelane similarity", "source_label": "tazobactam", "target_label": "bifemelane", "cosine_similarity": 0.5070708990097046 } }, { "source": "CID:17748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "quinoclamine-methylene-blue similarity", "source_label": "quinoclamine", "target_label": "methylene-blue", "cosine_similarity": 0.3778203427791595 } }, { "source": "CID:2099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "alosetron-cefotaxime similarity", "source_label": "alosetron", "target_label": "cefotaxime", "cosine_similarity": 0.3169631361961365 } }, { "source": "CID:2817242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119607", "properties": { "id": "BML-266-valdecoxib similarity", "source_label": "BML-266", "target_label": "valdecoxib", "cosine_similarity": 0.243892028927803 } }, { "source": "CID:7020214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119565", "properties": { "id": "Val-Val-Val-l-bso similarity", "source_label": "Val-Val-Val", "target_label": "l-bso", "cosine_similarity": 0.2192588448524475 } }, { "source": "CID:441336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "mometasone-methylprednisolone similarity", "source_label": "mometasone", "target_label": "methylprednisolone", "cosine_similarity": 0.3620299398899078 } }, { "source": "CID:38521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "guanadrel-perindopril similarity", "source_label": "guanadrel", "target_label": "perindopril", "cosine_similarity": 0.3625145852565765 } }, { "source": "CID:44631784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "VU-0410183-2-VU-0418934-2 similarity", "source_label": "VU-0410183-2", "target_label": "VU-0418934-2", "cosine_similarity": 0.9046785235404968 } }, { "source": "CID:5311257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "LY-320135-BMS-191011 similarity", "source_label": "LY-320135", "target_label": "BMS-191011", "cosine_similarity": 0.1908297538757324 } }, { "source": "CID:44247543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46869952", "properties": { "id": "VU-0402605-VU-0404997-2 similarity", "source_label": "VU-0402605", "target_label": "VU-0404997-2", "cosine_similarity": 0.2314700782299041 } }, { "source": "CID:707029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "EX-527-isradipine similarity", "source_label": "EX-527", "target_label": "isradipine", "cosine_similarity": 0.4327352643013 } }, { "source": "CID:44602375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20345", "properties": { "id": "KU-C104123-kinetin-riboside similarity", "source_label": "KU-C104123", "target_label": "kinetin-riboside", "cosine_similarity": 0.2663195729255676 } }, { "source": "CID:44483339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "BVT-948-cercosporin similarity", "source_label": "BVT-948", "target_label": "cercosporin", "cosine_similarity": 0.6692229509353638 } }, { "source": "CID:68873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54682876", "properties": { "id": "drospirenone-tasquinimod similarity", "source_label": "drospirenone", "target_label": "tasquinimod", "cosine_similarity": 0.2250813692808151 } }, { "source": "CID:443007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11207937", "properties": { "id": "fillalbin-TMPH similarity", "source_label": "fillalbin", "target_label": "TMPH", "cosine_similarity": 0.3221940100193023 } }, { "source": "CID:3689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54680692", "properties": { "id": "ifenprodil-phenprocoumon similarity", "source_label": "ifenprodil", "target_label": "phenprocoumon", "cosine_similarity": 0.2741984128952026 } }, { "source": "CID:1537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "thioguanine-azacitidine similarity", "source_label": "thioguanine", "target_label": "azacitidine", "cosine_similarity": 0.4257009029388428 } }, { "source": "CID:5284514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "acrivastine-sumatriptan similarity", "source_label": "acrivastine", "target_label": "sumatriptan", "cosine_similarity": 0.4781575202941894 } }, { "source": "CID:168613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "timolol-sarcosine similarity", "source_label": "timolol", "target_label": "sarcosine", "cosine_similarity": 0.3287372291088104 } }, { "source": "CID:3293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "ethoxyquin-KU-C104140 similarity", "source_label": "ethoxyquin", "target_label": "KU-C104140", "cosine_similarity": 0.1919409483671188 } }, { "source": "CID:9810884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "Y-39983-roscovitine similarity", "source_label": "Y-39983", "target_label": "roscovitine", "cosine_similarity": 0.3958617746829986 } }, { "source": "CID:44143703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "KU-C103428N-EXO-1 similarity", "source_label": "KU-C103428N", "target_label": "EXO-1", "cosine_similarity": 0.3363592624664306 } }, { "source": "CID:688020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9847023", "properties": { "id": "crotamiton-prednisolone-hemisuccinate similarity", "source_label": "crotamiton", "target_label": "prednisolone-hemisuccinate", "cosine_similarity": 0.241518035531044 } }, { "source": "CID:24094067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "I-303059-monocrotaline similarity", "source_label": "I-303059", "target_label": "monocrotaline", "cosine_similarity": 0.2655274271965027 } }, { "source": "CID:44502578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "SA-244358-chloroquine similarity", "source_label": "SA-244358", "target_label": "chloroquine", "cosine_similarity": 0.3187266886234283 } }, { "source": "CID:5282440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123619", "properties": { "id": "ozagrel-etoricoxib similarity", "source_label": "ozagrel", "target_label": "etoricoxib", "cosine_similarity": 0.4123528897762298 } }, { "source": "CID:44497527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-96805-SA-97378 similarity", "source_label": "SA-96805", "target_label": "SA-97378", "cosine_similarity": 0.5351324677467346 } }, { "source": "CID:441314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25025298", "properties": { "id": "miglitol-telotristat similarity", "source_label": "miglitol", "target_label": "telotristat", "cosine_similarity": 0.312583178281784 } }, { "source": "CID:3672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "ibuprofen-phenylbutazone similarity", "source_label": "ibuprofen", "target_label": "phenylbutazone", "cosine_similarity": 0.3594041466712951 } }, { "source": "CID:66654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "xanthoxyline-fumonisin-b1 similarity", "source_label": "xanthoxyline", "target_label": "fumonisin-b1", "cosine_similarity": 0.2901708781719208 } }, { "source": "CID:54657735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658832", "properties": { "id": "SA-1457187-SA-1459256 similarity", "source_label": "SA-1457187", "target_label": "SA-1459256", "cosine_similarity": 0.3619451224803924 } }, { "source": "CID:3906780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "NNC-63-0532-dropropizine similarity", "source_label": "NNC-63-0532", "target_label": "dropropizine", "cosine_similarity": 0.244340181350708 } }, { "source": "CID:8569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119584", "properties": { "id": "dioxybenzone-mosapride similarity", "source_label": "dioxybenzone", "target_label": "mosapride", "cosine_similarity": 0.2277439832687378 } }, { "source": "CID:23633604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11689883", "properties": { "id": "LX-1031-omecamtiv-mecarbil similarity", "source_label": "LX-1031", "target_label": "omecamtiv-mecarbil", "cosine_similarity": 0.3130713701248169 } }, { "source": "CID:446155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "fluvastatin-SA-1921456 similarity", "source_label": "fluvastatin", "target_label": "SA-1921456", "cosine_similarity": 0.6193568706512451 } }, { "source": "CID:1622530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "coumaric-acid-rolipram similarity", "source_label": "coumaric-acid", "target_label": "rolipram", "cosine_similarity": 0.2896265983581543 } }, { "source": "CID:3476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11705608", "properties": { "id": "glimepiride-APD-668 similarity", "source_label": "glimepiride", "target_label": "APD-668", "cosine_similarity": 0.3290128111839294 } }, { "source": "CID:16231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "amiloride-pentoxifylline similarity", "source_label": "amiloride", "target_label": "pentoxifylline", "cosine_similarity": 0.3691112101078033 } }, { "source": "CID:6442177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "everolimus-sirolimus similarity", "source_label": "everolimus", "target_label": "sirolimus", "cosine_similarity": 0.8377681374549866 } }, { "source": "CID:123630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "tazobactam-nevirapine similarity", "source_label": "tazobactam", "target_label": "nevirapine", "cosine_similarity": 0.5066252946853638 } }, { "source": "CID:23789069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2817908", "properties": { "id": "nitrarine-JFD02227 similarity", "source_label": "nitrarine", "target_label": "JFD02227", "cosine_similarity": 0.3045721352100372 } }, { "source": "CID:19103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "NSC-3852-NSC-632839 similarity", "source_label": "NSC-3852", "target_label": "NSC-632839", "cosine_similarity": 0.7830699682235718 } }, { "source": "CID:393595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "MRS-1220-MD-049 similarity", "source_label": "MRS-1220", "target_label": "MD-049", "cosine_similarity": 0.4920180141925812 } }, { "source": "CID:3081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "dimethadione-etamsylate similarity", "source_label": "dimethadione", "target_label": "etamsylate", "cosine_similarity": 0.2636599242687225 } }, { "source": "CID:2130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4497", "properties": { "id": "amantadine-nimodipine similarity", "source_label": "amantadine", "target_label": "nimodipine", "cosine_similarity": 0.3305297493934631 } }, { "source": "CID:5576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5707", "properties": { "id": "trimethadione-xylazine similarity", "source_label": "trimethadione", "target_label": "xylazine", "cosine_similarity": 0.2525209784507751 } }, { "source": "CID:5388993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "vincristine-vinblastine similarity", "source_label": "vincristine", "target_label": "vinblastine", "cosine_similarity": 0.8091679811477661 } }, { "source": "CID:4813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2549", "properties": { "id": "piceatannol-capsazepine similarity", "source_label": "piceatannol", "target_label": "capsazepine", "cosine_similarity": 0.552841305732727 } }, { "source": "CID:16758824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "N-benzylnaltrindole-BIBU-1361 similarity", "source_label": "N-benzylnaltrindole", "target_label": "BIBU-1361", "cosine_similarity": 0.3057746589183807 } }, { "source": "CID:1537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4071", "properties": { "id": "thioguanine-mercaptopurine similarity", "source_label": "thioguanine", "target_label": "mercaptopurine", "cosine_similarity": 0.3399253487586975 } }, { "source": "CID:704473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "STF-62247-saracatinib similarity", "source_label": "STF-62247", "target_label": "saracatinib", "cosine_similarity": 0.3217692971229553 } }, { "source": "CID:54666869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9600409", "properties": { "id": "SA-1920942-CITCO similarity", "source_label": "SA-1920942", "target_label": "CITCO", "cosine_similarity": 0.2438553571701049 } }, { "source": "CID:46220502", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "LY-2835219-BAY-61-3606 similarity", "source_label": "LY-2835219", "target_label": "BAY-61-3606", "cosine_similarity": 0.5419560074806213 } }, { "source": "CID:16490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "flumetasone-methylprednisolone similarity", "source_label": "flumetasone", "target_label": "methylprednisolone", "cosine_similarity": 0.5091883540153503 } }, { "source": "CID:108092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:196841", "properties": { "id": "DPPE-FR-122047 similarity", "source_label": "DPPE", "target_label": "FR-122047", "cosine_similarity": 0.2223654240369796 } }, { "source": "CID:49843139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-433965-SA-1458902 similarity", "source_label": "SA-433965", "target_label": "SA-1458902", "cosine_similarity": 0.2993668913841247 } }, { "source": "CID:2284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5340", "properties": { "id": "baclofen-sulfathiazole similarity", "source_label": "baclofen", "target_label": "sulfathiazole", "cosine_similarity": 0.3258591592311859 } }, { "source": "CID:443007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "fillalbin-zebularine similarity", "source_label": "fillalbin", "target_label": "zebularine", "cosine_similarity": 0.3617918491363525 } }, { "source": "CID:4888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2736301", "properties": { "id": "pranoprofen-TBEP similarity", "source_label": "pranoprofen", "target_label": "TBEP", "cosine_similarity": 0.2163475006818771 } }, { "source": "CID:51003695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "CVF-SUMO-7-EMF-bca1-16 similarity", "source_label": "CVF-SUMO-7", "target_label": "EMF-bca1-16", "cosine_similarity": 0.6905062198638916 } }, { "source": "CID:3082718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2775510", "properties": { "id": "ICI-199441-wiskostatin similarity", "source_label": "ICI-199441", "target_label": "wiskostatin", "cosine_similarity": 0.4656579196453094 } }, { "source": "CID:72385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "nonoxynol-9-bithionol similarity", "source_label": "nonoxynol-9", "target_label": "bithionol", "cosine_similarity": 0.5905487537384033 } }, { "source": "CID:42628535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "XMD-1185H-XMD-1150 similarity", "source_label": "XMD-1185H", "target_label": "XMD-1150", "cosine_similarity": 0.5273431539535522 } }, { "source": "CID:10341154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "VX-702-zebularine similarity", "source_label": "VX-702", "target_label": "zebularine", "cosine_similarity": 0.2721703946590423 } }, { "source": "CID:3292447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "SB-216641-promazine similarity", "source_label": "SB-216641", "target_label": "promazine", "cosine_similarity": 0.5561401844024658 } }, { "source": "CID:44623833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2747117", "properties": { "id": "KU-C104218-BI-78D3 similarity", "source_label": "KU-C104218", "target_label": "BI-78D3", "cosine_similarity": 0.1734036207199096 } }, { "source": "CID:4429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1261822", "properties": { "id": "naltriben-ML-193 similarity", "source_label": "naltriben", "target_label": "ML-193", "cosine_similarity": 0.2670518159866333 } }, { "source": "CID:16102146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "O-2050-gliclazide similarity", "source_label": "O-2050", "target_label": "gliclazide", "cosine_similarity": 0.3967391550540924 } }, { "source": "CID:182585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281707", "properties": { "id": "MDL-72832-coumestrol similarity", "source_label": "MDL-72832", "target_label": "coumestrol", "cosine_similarity": 0.2501244843006134 } }, { "source": "CID:1893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "7-nitroindazole-zebularine similarity", "source_label": "7-nitroindazole", "target_label": "zebularine", "cosine_similarity": 0.5459241271018982 } }, { "source": "CID:656615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "potassium-canrenoate-NF-449 similarity", "source_label": "potassium-canrenoate", "target_label": "NF-449", "cosine_similarity": 0.3231186270713806 } }, { "source": "CID:5282443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "triprolidine-T-5345967 similarity", "source_label": "triprolidine", "target_label": "T-5345967", "cosine_similarity": 0.3334231674671173 } }, { "source": "CID:2812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "clotrimazole-sorafenib similarity", "source_label": "clotrimazole", "target_label": "sorafenib", "cosine_similarity": 0.3805550336837768 } }, { "source": "CID:5901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19582717", "properties": { "id": "azauridine-CHEMBL-1222381 similarity", "source_label": "azauridine", "target_label": "CHEMBL-1222381", "cosine_similarity": 0.2342905700206756 } }, { "source": "CID:7699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "benzonatate-amikacin similarity", "source_label": "benzonatate", "target_label": "amikacin", "cosine_similarity": 0.2368589490652084 } }, { "source": "CID:73707407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445354", "properties": { "id": "doxercalciferol-retinol similarity", "source_label": "doxercalciferol", "target_label": "retinol", "cosine_similarity": 0.2491165846586227 } }, { "source": "CID:2799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "clofoctol-paracetamol similarity", "source_label": "clofoctol", "target_label": "paracetamol", "cosine_similarity": 0.3056912124156952 } }, { "source": "CID:688800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "ST-057710-VU-0418946-1 similarity", "source_label": "ST-057710", "target_label": "VU-0418946-1", "cosine_similarity": 0.3099744021892547 } }, { "source": "CID:709391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "MW-STK33-2A-HMN-214 similarity", "source_label": "MW-STK33-2A", "target_label": "HMN-214", "cosine_similarity": 0.3534029722213745 } }, { "source": "CID:54657689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "SA-1973507-cyclosporin-a similarity", "source_label": "SA-1973507", "target_label": "cyclosporin-a", "cosine_similarity": 0.6061701774597168 } }, { "source": "CID:4032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "mecamylamine-entecavir similarity", "source_label": "mecamylamine", "target_label": "entecavir", "cosine_similarity": 0.4160274267196655 } }, { "source": "CID:11289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "chlorotrianisene-SA-85148 similarity", "source_label": "chlorotrianisene", "target_label": "SA-85148", "cosine_similarity": 0.2562985122203827 } }, { "source": "CID:204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "allantoin-tetrahydrouridine similarity", "source_label": "allantoin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3509468734264374 } }, { "source": "CID:172813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "Gly-Gly-PALO-fumonisin-b1 similarity", "source_label": "Gly-Gly-PALO", "target_label": "fumonisin-b1", "cosine_similarity": 0.5459131598472595 } }, { "source": "CID:10168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5215", "properties": { "id": "rhein-sulfadiazine similarity", "source_label": "rhein", "target_label": "sulfadiazine", "cosine_similarity": 0.3348284065723419 } }, { "source": "CID:151932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "picolinic-acid-S-18986 similarity", "source_label": "picolinic-acid", "target_label": "S-18986", "cosine_similarity": 0.4297991394996643 } }, { "source": "CID:1534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "aminomethyltransferase-PT-630 similarity", "source_label": "aminomethyltransferase", "target_label": "PT-630", "cosine_similarity": 0.3079599738121032 } }, { "source": "CID:54677407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "robustic-acid-eriodictyol similarity", "source_label": "robustic-acid", "target_label": "eriodictyol", "cosine_similarity": 0.2976217865943908 } }, { "source": "CID:1282817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71693", "properties": { "id": "KUC104240N-fomocaine similarity", "source_label": "KUC104240N", "target_label": "fomocaine", "cosine_similarity": 0.2241780310869217 } }, { "source": "CID:10635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "dihydrotestosterone-luliconazole similarity", "source_label": "dihydrotestosterone", "target_label": "luliconazole", "cosine_similarity": 0.2017668932676315 } }, { "source": "CID:443944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "metrizamide-gossypin similarity", "source_label": "metrizamide", "target_label": "gossypin", "cosine_similarity": 0.3559646308422088 } }, { "source": "CID:5092098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "RU-28318-rolipram similarity", "source_label": "RU-28318", "target_label": "rolipram", "cosine_similarity": 0.2429468482732772 } }, { "source": "CID:6082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "methoxamine-pentoxifylline similarity", "source_label": "methoxamine", "target_label": "pentoxifylline", "cosine_similarity": 0.2911030650138855 } }, { "source": "CID:16123056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262792", "properties": { "id": "voxtalisib-AZD-2014 similarity", "source_label": "voxtalisib", "target_label": "AZD-2014", "cosine_similarity": 0.6583012342453003 } }, { "source": "CID:3450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708539", "properties": { "id": "gallamine-rotenonic-acid similarity", "source_label": "gallamine", "target_label": "rotenonic-acid", "cosine_similarity": 0.1871628910303115 } }, { "source": "CID:65997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "lerisetron-diethylcarbamazine similarity", "source_label": "lerisetron", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3262501657009125 } }, { "source": "CID:54260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441074", "properties": { "id": "amorolfine-quinidine similarity", "source_label": "amorolfine", "target_label": "quinidine", "cosine_similarity": 0.1390533000230789 } }, { "source": "CID:11507802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "LY-2183240-nocodazole similarity", "source_label": "LY-2183240", "target_label": "nocodazole", "cosine_similarity": 0.6112326383590698 } }, { "source": "CID:135411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708778", "properties": { "id": "CD-437-teniposide similarity", "source_label": "CD-437", "target_label": "teniposide", "cosine_similarity": 0.8119697570800781 } }, { "source": "CID:73707411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23606608", "properties": { "id": "treprostinil-EMF-sumo1-10 similarity", "source_label": "treprostinil", "target_label": "EMF-sumo1-10", "cosine_similarity": 0.2565391063690185 } }, { "source": "CID:16004692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "macitentan-amikacin similarity", "source_label": "macitentan", "target_label": "amikacin", "cosine_similarity": 0.7542025446891785 } }, { "source": "CID:135179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "EMD-41000-SAL-1 similarity", "source_label": "EMD-41000", "target_label": "SAL-1", "cosine_similarity": 0.2584826052188873 } }, { "source": "CID:77991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "rivastigmine-apocynin similarity", "source_label": "rivastigmine", "target_label": "apocynin", "cosine_similarity": 0.3763812780380249 } }, { "source": "CID:11326715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "ostarine-liranaftate similarity", "source_label": "ostarine", "target_label": "liranaftate", "cosine_similarity": 0.5466706156730652 } }, { "source": "CID:5702107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "prednisolone-acetate-hydrocortisone similarity", "source_label": "prednisolone-acetate", "target_label": "hydrocortisone", "cosine_similarity": 0.2982448935508728 } }, { "source": "CID:5353853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108137", "properties": { "id": "oxiconazole-SCH-28080 similarity", "source_label": "oxiconazole", "target_label": "SCH-28080", "cosine_similarity": 0.5069341063499451 } }, { "source": "CID:54666595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "SA-1921085-STA-5326 similarity", "source_label": "SA-1921085", "target_label": "STA-5326", "cosine_similarity": 0.3719151020050049 } }, { "source": "CID:53315878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11626560", "properties": { "id": "UNC-0642-crizotinib similarity", "source_label": "UNC-0642", "target_label": "crizotinib", "cosine_similarity": 0.2939052879810333 } }, { "source": "CID:2820381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "KM-03949SC-I-505056 similarity", "source_label": "KM-03949SC", "target_label": "I-505056", "cosine_similarity": 0.5845904350280762 } }, { "source": "CID:38409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "tienilic-acid-genipin similarity", "source_label": "tienilic-acid", "target_label": "genipin", "cosine_similarity": 0.3089410364627838 } }, { "source": "CID:60795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "aripiprazole-tamoxifen similarity", "source_label": "aripiprazole", "target_label": "tamoxifen", "cosine_similarity": 0.2766229212284088 } }, { "source": "CID:54676478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "roquinimex-lersivirine similarity", "source_label": "roquinimex", "target_label": "lersivirine", "cosine_similarity": 0.6706418991088867 } }, { "source": "CID:3518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "guanethidine-SR-33805 similarity", "source_label": "guanethidine", "target_label": "SR-33805", "cosine_similarity": 0.2635683417320251 } }, { "source": "CID:439246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "naringenin-GDC-0199 similarity", "source_label": "naringenin", "target_label": "GDC-0199", "cosine_similarity": 0.37635138630867 } }, { "source": "CID:73707373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "COT-10b-AZD-5438 similarity", "source_label": "COT-10b", "target_label": "AZD-5438", "cosine_similarity": 0.5475581884384155 } }, { "source": "CID:197690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:447966", "properties": { "id": "SB-205384-LY-364947 similarity", "source_label": "SB-205384", "target_label": "LY-364947", "cosine_similarity": 0.2123892456293106 } }, { "source": "CID:60953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "capecitabine-mirtazapine similarity", "source_label": "capecitabine", "target_label": "mirtazapine", "cosine_similarity": 0.3868229687213897 } }, { "source": "CID:1833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "5-methoxytryptamine-FTI-276 similarity", "source_label": "5-methoxytryptamine", "target_label": "FTI-276", "cosine_similarity": 0.3268662393093109 } }, { "source": "CID:73707441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "YL-60-FTI-276 similarity", "source_label": "YL-60", "target_label": "FTI-276", "cosine_similarity": 0.3306972086429596 } }, { "source": "CID:24868309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296282", "properties": { "id": "CD-1530-DG-041 similarity", "source_label": "CD-1530", "target_label": "DG-041", "cosine_similarity": 0.3948867917060852 } }, { "source": "CID:46869951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "VU-0400193-3-SA-103013 similarity", "source_label": "VU-0400193-3", "target_label": "SA-103013", "cosine_similarity": 0.2592329382896423 } }, { "source": "CID:6215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "fluocinolone-flumetasone similarity", "source_label": "fluocinolone", "target_label": "flumetasone", "cosine_similarity": 0.3185634016990661 } }, { "source": "CID:5694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "pirinixic-acid-tolazamide similarity", "source_label": "pirinixic-acid", "target_label": "tolazamide", "cosine_similarity": 0.2687144875526428 } }, { "source": "CID:6918305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708742", "properties": { "id": "ganaxolone-inosine similarity", "source_label": "ganaxolone", "target_label": "inosine", "cosine_similarity": 0.3925377130508423 } }, { "source": "CID:54669029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "SA-1921574-SA-1457810 similarity", "source_label": "SA-1921574", "target_label": "SA-1457810", "cosine_similarity": 0.3159520924091339 } }, { "source": "CID:44483265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "solanine-TUL-XX023 similarity", "source_label": "solanine", "target_label": "TUL-XX023", "cosine_similarity": 0.282400518655777 } }, { "source": "CID:5391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "temazepam-levocabastine similarity", "source_label": "temazepam", "target_label": "levocabastine", "cosine_similarity": 0.220878779888153 } }, { "source": "CID:5329480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "GW-583340-PD-0325901 similarity", "source_label": "GW-583340", "target_label": "PD-0325901", "cosine_similarity": 0.2617716789245605 } }, { "source": "CID:101989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "androstenol-JZL-184 similarity", "source_label": "androstenol", "target_label": "JZL-184", "cosine_similarity": 0.271597295999527 } }, { "source": "CID:2995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "desipramine-NTNCB similarity", "source_label": "desipramine", "target_label": "NTNCB", "cosine_similarity": 0.555754542350769 } }, { "source": "CID:2744062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "SPB02303-VU-0418946-1 similarity", "source_label": "SPB02303", "target_label": "VU-0418946-1", "cosine_similarity": 0.5812712907791138 } }, { "source": "CID:2354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "diminazene-aceturate-GNF-2 similarity", "source_label": "diminazene-aceturate", "target_label": "GNF-2", "cosine_similarity": 0.2876789271831512 } }, { "source": "CID:87217390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34040", "properties": { "id": "SU-014813-nicergoline similarity", "source_label": "SU-014813", "target_label": "nicergoline", "cosine_similarity": 0.3961990177631378 } }, { "source": "CID:4990100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "kynuramine-Gly-Gly-PALO similarity", "source_label": "kynuramine", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2082590609788894 } }, { "source": "CID:4057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "mepenzolate-cyclothiazide similarity", "source_label": "mepenzolate", "target_label": "cyclothiazide", "cosine_similarity": 0.338882178068161 } }, { "source": "CID:441594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43345", "properties": { "id": "hippeastrine-P-1075 similarity", "source_label": "hippeastrine", "target_label": "P-1075", "cosine_similarity": 0.3055156469345093 } }, { "source": "CID:73707535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "BG-1006-Fluoro-SAHA similarity", "source_label": "BG-1006", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.5296338796615601 } }, { "source": "CID:16722836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "TG-101348-I-BET-762 similarity", "source_label": "TG-101348", "target_label": "I-BET-762", "cosine_similarity": 0.6035829186439514 } }, { "source": "CID:25025505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "MBX-2982-PF-04620110 similarity", "source_label": "MBX-2982", "target_label": "PF-04620110", "cosine_similarity": 0.4414915740489959 } }, { "source": "CID:125312786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "KIN001-244-AZD-5363 similarity", "source_label": "KIN001-244", "target_label": "AZD-5363", "cosine_similarity": 0.3813131153583526 } }, { "source": "CID:4989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:771910", "properties": { "id": "pyrantel-ITSA-1 similarity", "source_label": "pyrantel", "target_label": "ITSA-1", "cosine_similarity": 0.2122604697942733 } }, { "source": "CID:681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60825", "properties": { "id": "dopamine-lamivudine similarity", "source_label": "dopamine", "target_label": "lamivudine", "cosine_similarity": 0.3262604475021362 } }, { "source": "CID:60190226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "SA-1925996-SA-1919345 similarity", "source_label": "SA-1925996", "target_label": "SA-1919345", "cosine_similarity": 0.2588256597518921 } }, { "source": "CID:5918561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6129", "properties": { "id": "ST-024029-carbaryl similarity", "source_label": "ST-024029", "target_label": "carbaryl", "cosine_similarity": 0.2806237041950226 } }, { "source": "CID:6604858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328807", "properties": { "id": "SB-218795-tyrphostin-51 similarity", "source_label": "SB-218795", "target_label": "tyrphostin-51", "cosine_similarity": 0.2519496083259582 } }, { "source": "CID:5458428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "cytochalasin-d-NNC-55-0396 similarity", "source_label": "cytochalasin-d", "target_label": "NNC-55-0396", "cosine_similarity": 0.3757492005825043 } }, { "source": "CID:135413511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "tirapazamine-aliskiren similarity", "source_label": "tirapazamine", "target_label": "aliskiren", "cosine_similarity": 0.2630026638507843 } }, { "source": "CID:54666790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504533", "properties": { "id": "SA-1919918-SA-103150 similarity", "source_label": "SA-1919918", "target_label": "SA-103150", "cosine_similarity": 0.3138962388038635 } }, { "source": "CID:73707358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "debrisoquine-PKCbeta-inhibitor similarity", "source_label": "debrisoquine", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.219368502497673 } }, { "source": "CID:3969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "tomelukast-oxiconazole similarity", "source_label": "tomelukast", "target_label": "oxiconazole", "cosine_similarity": 0.4025090932846069 } }, { "source": "CID:4879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38409", "properties": { "id": "PP-3-tienilic-acid similarity", "source_label": "PP-3", "target_label": "tienilic-acid", "cosine_similarity": 0.2001517564058303 } }, { "source": "CID:5709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "xylometazoline-emtricitabine similarity", "source_label": "xylometazoline", "target_label": "emtricitabine", "cosine_similarity": 0.262038916349411 } }, { "source": "CID:4302963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5491955", "properties": { "id": "AM-630-cefozopran similarity", "source_label": "AM-630", "target_label": "cefozopran", "cosine_similarity": 0.1771902590990066 } }, { "source": "CID:2680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312145", "properties": { "id": "cetraxate-Ro-04-6790 similarity", "source_label": "cetraxate", "target_label": "Ro-04-6790", "cosine_similarity": 0.2852486371994018 } }, { "source": "CID:44462760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "dabrafenib-vemurafenib similarity", "source_label": "dabrafenib", "target_label": "vemurafenib", "cosine_similarity": 0.7255774140357971 } }, { "source": "CID:334007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "SEW-00445-zebularine similarity", "source_label": "SEW-00445", "target_label": "zebularine", "cosine_similarity": 0.2726688683032989 } }, { "source": "CID:23986045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "karakoline-HO-013 similarity", "source_label": "karakoline", "target_label": "HO-013", "cosine_similarity": 0.3407498300075531 } }, { "source": "CID:9953769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "RS-504393-tetrandrine similarity", "source_label": "RS-504393", "target_label": "tetrandrine", "cosine_similarity": 0.5078465342521667 } }, { "source": "CID:54657730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489338", "properties": { "id": "SA-1458450-SA-424828 similarity", "source_label": "SA-1458450", "target_label": "SA-424828", "cosine_similarity": 0.2938180267810821 } }, { "source": "CID:197810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "chelidonine-ABT-751 similarity", "source_label": "chelidonine", "target_label": "ABT-751", "cosine_similarity": 0.7917268872261047 } }, { "source": "CID:441749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "napelline-zebularine similarity", "source_label": "napelline", "target_label": "zebularine", "cosine_similarity": 0.2479460835456848 } }, { "source": "CID:25226117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "HG-5-88-01-cytosporone-b similarity", "source_label": "HG-5-88-01", "target_label": "cytosporone-b", "cosine_similarity": 0.3245546221733093 } }, { "source": "CID:10235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "cytisine-primaquine similarity", "source_label": "cytisine", "target_label": "primaquine", "cosine_similarity": 0.5146205425262451 } }, { "source": "CID:131414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:770820", "properties": { "id": "NCS-382-O-3M3FBS similarity", "source_label": "NCS-382", "target_label": "O-3M3FBS", "cosine_similarity": 0.3443417549133301 } }, { "source": "CID:29243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "tetrahydrouridine-amikacin similarity", "source_label": "tetrahydrouridine", "target_label": "amikacin", "cosine_similarity": 0.8309761881828308 } }, { "source": "CID:54680692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918097", "properties": { "id": "phenprocoumon-dexniguldipine similarity", "source_label": "phenprocoumon", "target_label": "dexniguldipine", "cosine_similarity": 0.3373088240623474 } }, { "source": "CID:6196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4421", "properties": { "id": "oxacillin-nalidixic-acid similarity", "source_label": "oxacillin", "target_label": "nalidixic-acid", "cosine_similarity": 0.2389928102493286 } }, { "source": "CID:5491955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "cefozopran-ME-0328 similarity", "source_label": "cefozopran", "target_label": "ME-0328", "cosine_similarity": 0.2445588260889053 } }, { "source": "CID:24905203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "PP-110-BMS-754807 similarity", "source_label": "PP-110", "target_label": "BMS-754807", "cosine_similarity": 0.7074911594390869 } }, { "source": "CID:2812", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610243", "properties": { "id": "clotrimazole-penitrem-a similarity", "source_label": "clotrimazole", "target_label": "penitrem-a", "cosine_similarity": 0.4326584041118622 } }, { "source": "CID:5453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "thiotepa-AICA-ribonucleotide similarity", "source_label": "thiotepa", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3332775831222534 } }, { "source": "CID:2815801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "HTS-11203SC-SA-423131 similarity", "source_label": "HTS-11203SC", "target_label": "SA-423131", "cosine_similarity": 0.3175757527351379 } }, { "source": "CID:46742353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "VU-0418946-1-VU-0418933-1 similarity", "source_label": "VU-0418946-1", "target_label": "VU-0418933-1", "cosine_similarity": 0.8490207195281982 } }, { "source": "CID:161566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "vanillyl-glycol-SA-103013 similarity", "source_label": "vanillyl-glycol", "target_label": "SA-103013", "cosine_similarity": 0.1579095423221588 } }, { "source": "CID:3230028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657237", "properties": { "id": "KU-C104139-fludarabine similarity", "source_label": "KU-C104139", "target_label": "fludarabine", "cosine_similarity": 0.2217721492052078 } }, { "source": "CID:44595079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "PRT-062070-resatorvid similarity", "source_label": "PRT-062070", "target_label": "resatorvid", "cosine_similarity": 0.4349138140678406 } }, { "source": "CID:3033818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "dolasetron-sofalcone similarity", "source_label": "dolasetron", "target_label": "sofalcone", "cosine_similarity": 0.3230955302715301 } }, { "source": "CID:71771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "aceclofenac-gemfibrozil similarity", "source_label": "aceclofenac", "target_label": "gemfibrozil", "cosine_similarity": 0.3413334488868713 } }, { "source": "CID:53321987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "bafilomycin-tetrandrine similarity", "source_label": "bafilomycin", "target_label": "tetrandrine", "cosine_similarity": 0.4082824885845184 } }, { "source": "CID:5280360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280723", "properties": { "id": "dinoprostone-alprostadil similarity", "source_label": "dinoprostone", "target_label": "alprostadil", "cosine_similarity": 0.8364407420158386 } }, { "source": "CID:609483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "ARC-239-berberine similarity", "source_label": "ARC-239", "target_label": "berberine", "cosine_similarity": 0.2462315261363983 } }, { "source": "CID:2140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "diatrizoic-acid-PJ-34 similarity", "source_label": "diatrizoic-acid", "target_label": "PJ-34", "cosine_similarity": 0.3034970462322235 } }, { "source": "CID:4097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119565", "properties": { "id": "methantheline-l-bso similarity", "source_label": "methantheline", "target_label": "l-bso", "cosine_similarity": 0.2646695077419281 } }, { "source": "CID:15224271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "anidulafungin-metamizole similarity", "source_label": "anidulafungin", "target_label": "metamizole", "cosine_similarity": 0.4511429965496063 } }, { "source": "CID:2797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "clofibric-acid-diazoxide similarity", "source_label": "clofibric-acid", "target_label": "diazoxide", "cosine_similarity": 0.550696611404419 } }, { "source": "CID:12124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2355", "properties": { "id": "metacetamol-bergapten similarity", "source_label": "metacetamol", "target_label": "bergapten", "cosine_similarity": 0.7220702767372131 } }, { "source": "CID:5281037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "eprosartan-Gossypetin similarity", "source_label": "eprosartan", "target_label": "Gossypetin", "cosine_similarity": 0.2693015933036804 } }, { "source": "CID:3335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "fenbufen-amisulpride similarity", "source_label": "fenbufen", "target_label": "amisulpride", "cosine_similarity": 0.3237811326980591 } }, { "source": "CID:2724354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "dimercaptosuccinic-acid-iniparib similarity", "source_label": "dimercaptosuccinic-acid", "target_label": "iniparib", "cosine_similarity": 0.3715586960315704 } }, { "source": "CID:2819095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "KM-00799-GP-42 similarity", "source_label": "KM-00799", "target_label": "GP-42", "cosine_similarity": 0.427027940750122 } }, { "source": "CID:11012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6185", "properties": { "id": "gitoxigenin-strophanthidin similarity", "source_label": "gitoxigenin", "target_label": "strophanthidin", "cosine_similarity": 0.6288623809814453 } }, { "source": "CID:11625818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "idelalisib-tetrahydrouridine similarity", "source_label": "idelalisib", "target_label": "tetrahydrouridine", "cosine_similarity": 0.5719246864318848 } }, { "source": "CID:82755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135882970", "properties": { "id": "hydroxytyrosol-BG-1019 similarity", "source_label": "hydroxytyrosol", "target_label": "BG-1019", "cosine_similarity": 0.2041669487953186 } }, { "source": "CID:60164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "adapalene-actarit similarity", "source_label": "adapalene", "target_label": "actarit", "cosine_similarity": 0.3996870219707489 } }, { "source": "CID:25109985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SJB-shh-31-BMS-191011 similarity", "source_label": "SJB-shh-31", "target_label": "BMS-191011", "cosine_similarity": 0.2691594362258911 } }, { "source": "CID:31553", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2783", "properties": { "id": "silibinin-clenbuterol similarity", "source_label": "silibinin", "target_label": "clenbuterol", "cosine_similarity": 0.2722283899784088 } }, { "source": "CID:9966051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "vortioxetine-lorcaserin similarity", "source_label": "vortioxetine", "target_label": "lorcaserin", "cosine_similarity": 0.6060025095939636 } }, { "source": "CID:60184895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "SA-1939938-herniarin similarity", "source_label": "SA-1939938", "target_label": "herniarin", "cosine_similarity": 0.3137916922569275 } }, { "source": "CID:11646823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262792", "properties": { "id": "CTEP-AZD-2014 similarity", "source_label": "CTEP", "target_label": "AZD-2014", "cosine_similarity": 0.1959642022848129 } }, { "source": "CID:5269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "splitomycin-Gossypetin similarity", "source_label": "splitomycin", "target_label": "Gossypetin", "cosine_similarity": 0.2722318768501282 } }, { "source": "CID:5702068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133008", "properties": { "id": "hydrocortisone-acetate-L-741742 similarity", "source_label": "hydrocortisone-acetate", "target_label": "L-741742", "cosine_similarity": 0.3750757277011871 } }, { "source": "CID:6918509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5190", "properties": { "id": "BIBN-4096-DPI-201106 similarity", "source_label": "BIBN-4096", "target_label": "DPI-201106", "cosine_similarity": 0.2503210008144378 } }, { "source": "CID:68712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "rilmenidine-iguratimod similarity", "source_label": "rilmenidine", "target_label": "iguratimod", "cosine_similarity": 0.5446845889091492 } }, { "source": "CID:4168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "metoclopramide-orphenadrine similarity", "source_label": "metoclopramide", "target_label": "orphenadrine", "cosine_similarity": 0.2702886164188385 } }, { "source": "CID:119031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "marimastat-aminocaproic-acid similarity", "source_label": "marimastat", "target_label": "aminocaproic-acid", "cosine_similarity": 0.2727412283420563 } }, { "source": "CID:33032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "L-glutamic-acid-azathioprine similarity", "source_label": "L-glutamic-acid", "target_label": "azathioprine", "cosine_similarity": 0.2059345543384552 } }, { "source": "CID:438981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "NSC-693868-RU-24969 similarity", "source_label": "NSC-693868", "target_label": "RU-24969", "cosine_similarity": 0.3503099977970123 } }, { "source": "CID:5278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "ponalrestat-ST-022313 similarity", "source_label": "ponalrestat", "target_label": "ST-022313", "cosine_similarity": 0.2526315152645111 } }, { "source": "CID:5265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40486", "properties": { "id": "spiperone-A-23187 similarity", "source_label": "spiperone", "target_label": "A-23187", "cosine_similarity": 0.521652340888977 } }, { "source": "CID:4499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "nisoldipine-azacitidine similarity", "source_label": "nisoldipine", "target_label": "azacitidine", "cosine_similarity": 0.2826298773288727 } }, { "source": "CID:5311217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "lacidipine-AG-592 similarity", "source_label": "lacidipine", "target_label": "AG-592", "cosine_similarity": 0.3437650799751282 } }, { "source": "CID:3995234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "FGIN-1-43-balicatib similarity", "source_label": "FGIN-1-43", "target_label": "balicatib", "cosine_similarity": 0.2511205375194549 } }, { "source": "CID:160020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "tetrindole-thioridazine similarity", "source_label": "tetrindole", "target_label": "thioridazine", "cosine_similarity": 0.4902622997760772 } }, { "source": "CID:15330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "levopropoxyphene-gossypin similarity", "source_label": "levopropoxyphene", "target_label": "gossypin", "cosine_similarity": 0.2922626435756683 } }, { "source": "CID:50248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10286159", "properties": { "id": "triclabendazole-erteberel similarity", "source_label": "triclabendazole", "target_label": "erteberel", "cosine_similarity": 0.2785813212394714 } }, { "source": "CID:216235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5701990", "properties": { "id": "sitaxentan-testosterone-propionate similarity", "source_label": "sitaxentan", "target_label": "testosterone-propionate", "cosine_similarity": 0.1478753685951233 } }, { "source": "CID:71226662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50905713", "properties": { "id": "acalabrutinib-IPI-145 similarity", "source_label": "acalabrutinib", "target_label": "IPI-145", "cosine_similarity": 0.3202677965164184 } }, { "source": "CID:73707535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25118059", "properties": { "id": "BG-1006-BG-1005 similarity", "source_label": "BG-1006", "target_label": "BG-1005", "cosine_similarity": 0.5339818000793457 } }, { "source": "CID:449196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "androstanol-AR-C133057XX similarity", "source_label": "androstanol", "target_label": "AR-C133057XX", "cosine_similarity": 0.2815730571746826 } }, { "source": "CID:73707380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "fumonisin-b1-AR-C133057XX similarity", "source_label": "fumonisin-b1", "target_label": "AR-C133057XX", "cosine_similarity": 0.6010947227478027 } }, { "source": "CID:175805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4608", "properties": { "id": "ropivacaine-micropenin similarity", "source_label": "ropivacaine", "target_label": "micropenin", "cosine_similarity": 0.2068885713815689 } }, { "source": "CID:127951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "RS-45041-190-alpha-tocopherol similarity", "source_label": "RS-45041-190", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2219235002994537 } }, { "source": "CID:9549298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "IKK-16-RS-17053 similarity", "source_label": "IKK-16", "target_label": "RS-17053", "cosine_similarity": 0.4197990596294403 } }, { "source": "CID:2315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "bendroflumethiazide-dipyridamole similarity", "source_label": "bendroflumethiazide", "target_label": "dipyridamole", "cosine_similarity": 0.3502879738807678 } }, { "source": "CID:2315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "bendroflumethiazide-pyrazinoylguanidine similarity", "source_label": "bendroflumethiazide", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.3678151369094848 } }, { "source": "CID:4353886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3394", "properties": { "id": "FR-139317-flurbiprofen similarity", "source_label": "FR-139317", "target_label": "flurbiprofen", "cosine_similarity": 0.2622097432613373 } }, { "source": "CID:2744062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "SPB02303-VU-0418933-1 similarity", "source_label": "SPB02303", "target_label": "VU-0418933-1", "cosine_similarity": 0.6102839112281799 } }, { "source": "CID:9223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "benzofuran-dropropizine similarity", "source_label": "benzofuran", "target_label": "dropropizine", "cosine_similarity": 0.2901986241340637 } }, { "source": "CID:5707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "xylazine-dexamethasone similarity", "source_label": "xylazine", "target_label": "dexamethasone", "cosine_similarity": 0.3556845188140869 } }, { "source": "CID:1776583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "JAS07-006-tetrahydrouridine similarity", "source_label": "JAS07-006", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6136026978492737 } }, { "source": "CID:5585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "trioxsalen-PTB1 similarity", "source_label": "trioxsalen", "target_label": "PTB1", "cosine_similarity": 0.3000093102455139 } }, { "source": "CID:8796093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "KU-C103881-enzalutamide similarity", "source_label": "KU-C103881", "target_label": "enzalutamide", "cosine_similarity": 0.3030779659748077 } }, { "source": "CID:637568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "dimethyl-fumarate-sparfloxacin similarity", "source_label": "dimethyl-fumarate", "target_label": "sparfloxacin", "cosine_similarity": 0.4452595710754394 } }, { "source": "CID:107838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "noreleagnine-myriocin similarity", "source_label": "noreleagnine", "target_label": "myriocin", "cosine_similarity": 0.3481704592704773 } }, { "source": "CID:6710740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2878746", "properties": { "id": "endecaphyllin-x-STK-064652 similarity", "source_label": "endecaphyllin-x", "target_label": "STK-064652", "cosine_similarity": 0.2817421853542328 } }, { "source": "CID:9982218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "NTNCB-STA-5326 similarity", "source_label": "NTNCB", "target_label": "STA-5326", "cosine_similarity": 0.6773946285247803 } }, { "source": "CID:60186762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "SA-1939126-SA-97110 similarity", "source_label": "SA-1939126", "target_label": "SA-97110", "cosine_similarity": 0.3464979827404022 } }, { "source": "CID:5475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "tilorone-MM77 similarity", "source_label": "tilorone", "target_label": "MM77", "cosine_similarity": 0.3139295876026153 } }, { "source": "CID:2817908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "JFD02227-CAM-9-021 similarity", "source_label": "JFD02227", "target_label": "CAM-9-021", "cosine_similarity": 0.2834937572479248 } }, { "source": "CID:11373846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57345770", "properties": { "id": "GSK-429286A-KI-20227 similarity", "source_label": "GSK-429286A", "target_label": "KI-20227", "cosine_similarity": 0.4076672196388244 } }, { "source": "CID:442530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "ochratoxin-a-AG-14361 similarity", "source_label": "ochratoxin-a", "target_label": "AG-14361", "cosine_similarity": 0.2836740911006927 } }, { "source": "CID:4549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "NPPB-gatifloxacin similarity", "source_label": "NPPB", "target_label": "gatifloxacin", "cosine_similarity": 0.1947072148323059 } }, { "source": "CID:1549008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "terbinafine-CGS-20625 similarity", "source_label": "terbinafine", "target_label": "CGS-20625", "cosine_similarity": 0.5104211568832397 } }, { "source": "CID:77918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "1-benzylimidazole-beclometasone similarity", "source_label": "1-benzylimidazole", "target_label": "beclometasone", "cosine_similarity": 0.2962740659713745 } }, { "source": "CID:50904129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "ARG-CSC2-40-eperezolid similarity", "source_label": "ARG-CSC2-40", "target_label": "eperezolid", "cosine_similarity": 0.2560369074344635 } }, { "source": "CID:126688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "amthamine-zebularine similarity", "source_label": "amthamine", "target_label": "zebularine", "cosine_similarity": 0.3153131008148193 } }, { "source": "CID:5281901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "oligomycin-c-terfenadine similarity", "source_label": "oligomycin-c", "target_label": "terfenadine", "cosine_similarity": 0.4831116199493408 } }, { "source": "CID:1417813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "MW-STK33-1A-fumonisin-b1 similarity", "source_label": "MW-STK33-1A", "target_label": "fumonisin-b1", "cosine_similarity": 0.3390456438064575 } }, { "source": "CID:53387035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828911", "properties": { "id": "LCQ-908-anamorelin similarity", "source_label": "LCQ-908", "target_label": "anamorelin", "cosine_similarity": 0.2481026947498321 } }, { "source": "CID:57495783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "deforolimus-NVP-BEZ235 similarity", "source_label": "deforolimus", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7580643892288208 } }, { "source": "CID:19529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "diloxanide-brivanib similarity", "source_label": "diloxanide", "target_label": "brivanib", "cosine_similarity": 0.2163925170898437 } }, { "source": "CID:12810432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3652", "properties": { "id": "cefotiam-hydroxychloroquine similarity", "source_label": "cefotiam", "target_label": "hydroxychloroquine", "cosine_similarity": 0.2847253680229187 } }, { "source": "CID:104845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197835", "properties": { "id": "alfaxalone-hydrastine similarity", "source_label": "alfaxalone", "target_label": "hydrastine", "cosine_similarity": 0.3053841292858124 } }, { "source": "CID:56052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:173614", "properties": { "id": "ractopamine-GR-144053 similarity", "source_label": "ractopamine", "target_label": "GR-144053", "cosine_similarity": 0.1403440684080124 } }, { "source": "CID:1720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "CS-1657-DAC-012 similarity", "source_label": "CS-1657", "target_label": "DAC-012", "cosine_similarity": 0.2766634523868561 } }, { "source": "CID:105007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604918", "properties": { "id": "FPL-55712-YM-976 similarity", "source_label": "FPL-55712", "target_label": "YM-976", "cosine_similarity": 0.3401362299919128 } }, { "source": "CID:11167602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "regorafenib-erlotinib similarity", "source_label": "regorafenib", "target_label": "erlotinib", "cosine_similarity": 0.489094078540802 } }, { "source": "CID:59227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "rotigotine-rutin similarity", "source_label": "rotigotine", "target_label": "rutin", "cosine_similarity": 0.2225136458873748 } }, { "source": "CID:720932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610313", "properties": { "id": "ST-012525-ryanodine similarity", "source_label": "ST-012525", "target_label": "ryanodine", "cosine_similarity": 0.3017717897891998 } }, { "source": "CID:16362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "pimozide-NTNCB similarity", "source_label": "pimozide", "target_label": "NTNCB", "cosine_similarity": 0.4615362584590912 } }, { "source": "CID:9936746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71271629", "properties": { "id": "OTX-015-PFI-1 similarity", "source_label": "OTX-015", "target_label": "PFI-1", "cosine_similarity": 0.7090055346488953 } }, { "source": "CID:448991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "purvalanol-b-pirfenidone similarity", "source_label": "purvalanol-b", "target_label": "pirfenidone", "cosine_similarity": 0.2974322140216827 } }, { "source": "CID:4989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "pyrantel-ML-161 similarity", "source_label": "pyrantel", "target_label": "ML-161", "cosine_similarity": 0.1993800550699234 } }, { "source": "CID:125085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "p-aminophenethylspiperone-AG-592 similarity", "source_label": "p-aminophenethylspiperone", "target_label": "AG-592", "cosine_similarity": 0.536748468875885 } }, { "source": "CID:13037657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "anecortave-acetate-methimazole similarity", "source_label": "anecortave-acetate", "target_label": "methimazole", "cosine_similarity": 0.5200536847114563 } }, { "source": "CID:6410758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "cefatrizine-MW-MITF28 similarity", "source_label": "cefatrizine", "target_label": "MW-MITF28", "cosine_similarity": 0.3655737340450287 } }, { "source": "CID:1140587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "BAS-02859604-tetrahydrouridine similarity", "source_label": "BAS-02859604", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3526215255260467 } }, { "source": "CID:4421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "nalidixic-acid-NF-449 similarity", "source_label": "nalidixic-acid", "target_label": "NF-449", "cosine_similarity": 0.2916783392429352 } }, { "source": "CID:54657740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657742", "properties": { "id": "SA-1456570-SA-1455791 similarity", "source_label": "SA-1456570", "target_label": "SA-1455791", "cosine_similarity": 0.2423933893442154 } }, { "source": "CID:10932412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:188244", "properties": { "id": "6-nitrodopamine-allantoxanamide similarity", "source_label": "6-nitrodopamine", "target_label": "allantoxanamide", "cosine_similarity": 0.2116651386022567 } }, { "source": "CID:44483393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-85901-SA-244358 similarity", "source_label": "SA-85901", "target_label": "SA-244358", "cosine_similarity": 0.3179318308830261 } }, { "source": "CID:44618204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "SD-6-035-A7-AZD-6482 similarity", "source_label": "SD-6-035-A7", "target_label": "AZD-6482", "cosine_similarity": 0.2594199180603027 } }, { "source": "CID:24775005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10405323", "properties": { "id": "sonidegib-WR-216174 similarity", "source_label": "sonidegib", "target_label": "WR-216174", "cosine_similarity": 0.3715617656707763 } }, { "source": "CID:9853053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2775510", "properties": { "id": "lomitapide-wiskostatin similarity", "source_label": "lomitapide", "target_label": "wiskostatin", "cosine_similarity": 0.2990022897720337 } }, { "source": "CID:44607977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "KU-C104145-KU-C104248 similarity", "source_label": "KU-C104145", "target_label": "KU-C104248", "cosine_similarity": 0.357984334230423 } }, { "source": "CID:3219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "emedastine-probucol similarity", "source_label": "emedastine", "target_label": "probucol", "cosine_similarity": 0.5017179846763611 } }, { "source": "CID:3336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "fendiline-ceritinib similarity", "source_label": "fendiline", "target_label": "ceritinib", "cosine_similarity": 0.3214530348777771 } }, { "source": "CID:25183872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "ixazomib-oprozomib similarity", "source_label": "ixazomib", "target_label": "oprozomib", "cosine_similarity": 0.8353753685951233 } }, { "source": "CID:4296", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54686939", "properties": { "id": "TFMPP-dihydrorobustic-acid similarity", "source_label": "TFMPP", "target_label": "dihydrorobustic-acid", "cosine_similarity": 0.2281881272792816 } }, { "source": "CID:5281884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "valspodar-FCCP similarity", "source_label": "valspodar", "target_label": "FCCP", "cosine_similarity": 0.3929285109043121 } }, { "source": "CID:445354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "retinol-GW-1929 similarity", "source_label": "retinol", "target_label": "GW-1929", "cosine_similarity": 0.3002534210681915 } }, { "source": "CID:2162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "amlodipine-salmeterol similarity", "source_label": "amlodipine", "target_label": "salmeterol", "cosine_similarity": 0.5374661684036255 } }, { "source": "CID:6212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "chloroform-gliclazide similarity", "source_label": "chloroform", "target_label": "gliclazide", "cosine_similarity": 0.2367443889379501 } }, { "source": "CID:133002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "PG-9-methyl-fasudil similarity", "source_label": "PG-9", "target_label": "methyl-fasudil", "cosine_similarity": 0.2227364629507064 } }, { "source": "CID:51346455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "PF-03814735-etoposide similarity", "source_label": "PF-03814735", "target_label": "etoposide", "cosine_similarity": 0.3945053815841675 } }, { "source": "CID:9910224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "zibotentan-marbofloxacin similarity", "source_label": "zibotentan", "target_label": "marbofloxacin", "cosine_similarity": 0.2802781462669372 } }, { "source": "CID:2471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "bumetanide-LY-2886721 similarity", "source_label": "bumetanide", "target_label": "LY-2886721", "cosine_similarity": 0.4400172233581543 } }, { "source": "CID:5059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "REV-5901-doramapimod similarity", "source_label": "REV-5901", "target_label": "doramapimod", "cosine_similarity": 0.4512392878532409 } }, { "source": "CID:2206", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "phenazone-Gossypetin similarity", "source_label": "phenazone", "target_label": "Gossypetin", "cosine_similarity": 0.3848052322864532 } }, { "source": "CID:44497655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-102676-SA-1937536 similarity", "source_label": "SA-102676", "target_label": "SA-1937536", "cosine_similarity": 0.3840658068656921 } }, { "source": "CID:5472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "ticlopidine-S-18986 similarity", "source_label": "ticlopidine", "target_label": "S-18986", "cosine_similarity": 0.4334405958652496 } }, { "source": "CID:24856238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "FU-JMBII227B-parthenolide similarity", "source_label": "FU-JMBII227B", "target_label": "parthenolide", "cosine_similarity": 0.4423351883888244 } }, { "source": "CID:446157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "rosuvastatin-raloxifene similarity", "source_label": "rosuvastatin", "target_label": "raloxifene", "cosine_similarity": 0.4145494699478149 } }, { "source": "CID:11467730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20635522", "properties": { "id": "BMS-509744-KIN001-127 similarity", "source_label": "BMS-509744", "target_label": "KIN001-127", "cosine_similarity": 0.3803445100784302 } }, { "source": "CID:165404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "L-ergothioneine-gliclazide similarity", "source_label": "L-ergothioneine", "target_label": "gliclazide", "cosine_similarity": 0.8392947912216187 } }, { "source": "CID:4363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3106", "properties": { "id": "N-formylmethionylalanine-dipropyl-dopamine similarity", "source_label": "N-formylmethionylalanine", "target_label": "dipropyl-dopamine", "cosine_similarity": 0.3025805354118347 } }, { "source": "CID:3371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "flufenamic-acid-CFM-2 similarity", "source_label": "flufenamic-acid", "target_label": "CFM-2", "cosine_similarity": 0.2717753648757934 } }, { "source": "CID:44093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "captopril-LFM-A13 similarity", "source_label": "captopril", "target_label": "LFM-A13", "cosine_similarity": 0.2055072635412216 } }, { "source": "CID:5037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2482", "properties": { "id": "ramifenazone-butamben similarity", "source_label": "ramifenazone", "target_label": "butamben", "cosine_similarity": 0.2408436238765716 } }, { "source": "CID:44498557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "SA-418993-diclofenac similarity", "source_label": "SA-418993", "target_label": "diclofenac", "cosine_similarity": 0.2374111115932464 } }, { "source": "CID:31307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "triamcinolone-dexamethasone similarity", "source_label": "triamcinolone", "target_label": "dexamethasone", "cosine_similarity": 0.5085959434509277 } }, { "source": "CID:5287969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "alvocidib-triptolide similarity", "source_label": "alvocidib", "target_label": "triptolide", "cosine_similarity": 0.8296111822128296 } }, { "source": "CID:11964036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57340671", "properties": { "id": "KU-0060648-JWE-035 similarity", "source_label": "KU-0060648", "target_label": "JWE-035", "cosine_similarity": 0.5366349816322327 } }, { "source": "CID:125312786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "KIN001-244-KU-0063794 similarity", "source_label": "KIN001-244", "target_label": "KU-0063794", "cosine_similarity": 0.3682914674282074 } }, { "source": "CID:108137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "SCH-28080-losmapimod similarity", "source_label": "SCH-28080", "target_label": "losmapimod", "cosine_similarity": 0.4228670001029968 } }, { "source": "CID:5327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91654625", "properties": { "id": "sulfadimidine-BAZ2-ICR similarity", "source_label": "sulfadimidine", "target_label": "BAZ2-ICR", "cosine_similarity": 0.2924044132232666 } }, { "source": "CID:11548630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "Ro-4987655-MEK-162 similarity", "source_label": "Ro-4987655", "target_label": "MEK-162", "cosine_similarity": 0.8324711918830872 } }, { "source": "CID:442397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "fisetinidol-eriodictyol similarity", "source_label": "fisetinidol", "target_label": "eriodictyol", "cosine_similarity": 0.2323867380619049 } }, { "source": "CID:7741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46854655", "properties": { "id": "betazole-AMG-837 similarity", "source_label": "betazole", "target_label": "AMG-837", "cosine_similarity": 0.1903196275234222 } }, { "source": "CID:44631078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "KU-C104337-EMF-bca1-16 similarity", "source_label": "KU-C104337", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7124273180961609 } }, { "source": "CID:6918736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "rigosertib-dolastatin-10 similarity", "source_label": "rigosertib", "target_label": "dolastatin-10", "cosine_similarity": 0.7525359392166138 } }, { "source": "CID:156391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "naproxen-enzalutamide similarity", "source_label": "naproxen", "target_label": "enzalutamide", "cosine_similarity": 0.3956150114536285 } }, { "source": "CID:5146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "salicyl-alcohol-cyclothiazide similarity", "source_label": "salicyl-alcohol", "target_label": "cyclothiazide", "cosine_similarity": 0.5503647327423096 } }, { "source": "CID:44502953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "SD-6-035-B4-DL-TBOA similarity", "source_label": "SD-6-035-B4", "target_label": "DL-TBOA", "cosine_similarity": 0.2635938227176666 } }, { "source": "CID:5788723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "GBR-12783-tetrandrine similarity", "source_label": "GBR-12783", "target_label": "tetrandrine", "cosine_similarity": 0.3373691141605377 } }, { "source": "CID:50905713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59174488", "properties": { "id": "IPI-145-AVL-292 similarity", "source_label": "IPI-145", "target_label": "AVL-292", "cosine_similarity": 0.4417993426322937 } }, { "source": "CID:132971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "abiraterone-nilvadipine similarity", "source_label": "abiraterone", "target_label": "nilvadipine", "cosine_similarity": 0.3168874084949493 } }, { "source": "CID:9417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:941650", "properties": { "id": "opipramol-thiothixene similarity", "source_label": "opipramol", "target_label": "thiothixene", "cosine_similarity": 0.2246103137731552 } }, { "source": "CID:941650", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "thiothixene-NTNCB similarity", "source_label": "thiothixene", "target_label": "NTNCB", "cosine_similarity": 0.4847076535224914 } }, { "source": "CID:69923936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "JW-7-24-1-OSI-027 similarity", "source_label": "JW-7-24-1", "target_label": "OSI-027", "cosine_similarity": 0.4429631233215332 } }, { "source": "CID:3386873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25429", "properties": { "id": "AH-11110-carbendazim similarity", "source_label": "AH-11110", "target_label": "carbendazim", "cosine_similarity": 0.2357738614082336 } }, { "source": "CID:68602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "medetomidine-S-18986 similarity", "source_label": "medetomidine", "target_label": "S-18986", "cosine_similarity": 0.5122430324554443 } }, { "source": "CID:5694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312145", "properties": { "id": "pirinixic-acid-Ro-04-6790 similarity", "source_label": "pirinixic-acid", "target_label": "Ro-04-6790", "cosine_similarity": 0.2568554282188415 } }, { "source": "CID:3000022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "MW-STK33-23-PIK-75 similarity", "source_label": "MW-STK33-23", "target_label": "PIK-75", "cosine_similarity": 0.5823679566383362 } }, { "source": "CID:3973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "LY-294002-everolimus similarity", "source_label": "LY-294002", "target_label": "everolimus", "cosine_similarity": 0.6384719610214233 } }, { "source": "CID:60773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60703", "properties": { "id": "valaciclovir-eliprodil similarity", "source_label": "valaciclovir", "target_label": "eliprodil", "cosine_similarity": 0.2128275781869888 } }, { "source": "CID:71759907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "SA-1939891-SA-1458026 similarity", "source_label": "SA-1939891", "target_label": "SA-1458026", "cosine_similarity": 0.2453994303941726 } }, { "source": "CID:5329099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "orantinib-dipyridamole similarity", "source_label": "orantinib", "target_label": "dipyridamole", "cosine_similarity": 0.3972787261009216 } }, { "source": "CID:42601363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "MW-STK33-22-PJ-34 similarity", "source_label": "MW-STK33-22", "target_label": "PJ-34", "cosine_similarity": 0.2798774838447571 } }, { "source": "CID:68911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40839", "properties": { "id": "artemether-vindesine similarity", "source_label": "artemether", "target_label": "vindesine", "cosine_similarity": 0.2721759974956512 } }, { "source": "CID:5723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60751", "properties": { "id": "zardaverine-temoporfin similarity", "source_label": "zardaverine", "target_label": "temoporfin", "cosine_similarity": 0.4187426269054413 } }, { "source": "CID:5092098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259136", "properties": { "id": "RU-28318-VU-0415010 similarity", "source_label": "RU-28318", "target_label": "VU-0415010", "cosine_similarity": 0.221400573849678 } }, { "source": "CID:1893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "7-nitroindazole-LFM-A13 similarity", "source_label": "7-nitroindazole", "target_label": "LFM-A13", "cosine_similarity": 0.4845353066921234 } }, { "source": "CID:44486995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "SA-424764-SA-1457336 similarity", "source_label": "SA-424764", "target_label": "SA-1457336", "cosine_similarity": 0.2368077784776687 } }, { "source": "CID:3744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65906", "properties": { "id": "VP-20629-mizolastine similarity", "source_label": "VP-20629", "target_label": "mizolastine", "cosine_similarity": 0.3023293018341064 } }, { "source": "CID:2724385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "digoxin-proscillaridin similarity", "source_label": "digoxin", "target_label": "proscillaridin", "cosine_similarity": 0.7958463430404663 } }, { "source": "CID:54656096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-1473648-SA-1462678 similarity", "source_label": "SA-1473648", "target_label": "SA-1462678", "cosine_similarity": 0.2509989738464355 } }, { "source": "CID:54657755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "SA-1459830-BG-STK33-03 similarity", "source_label": "SA-1459830", "target_label": "BG-STK33-03", "cosine_similarity": 0.2789610922336578 } }, { "source": "CID:57390074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "AP-26113-BMS-754807 similarity", "source_label": "AP-26113", "target_label": "BMS-754807", "cosine_similarity": 0.503752589225769 } }, { "source": "CID:609483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10000456", "properties": { "id": "ARC-239-RS-102895 similarity", "source_label": "ARC-239", "target_label": "RS-102895", "cosine_similarity": 0.3224772810935974 } }, { "source": "CID:125017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122070", "properties": { "id": "desvenlafaxine-L-655240 similarity", "source_label": "desvenlafaxine", "target_label": "L-655240", "cosine_similarity": 0.2808782458305359 } }, { "source": "CID:44506448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24861442", "properties": { "id": "BG-1004-Fluoro-SAHA similarity", "source_label": "BG-1004", "target_label": "Fluoro-SAHA", "cosine_similarity": 0.6877754926681519 } }, { "source": "CID:9863672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9823820", "properties": { "id": "ripasudil-lenvatinib similarity", "source_label": "ripasudil", "target_label": "lenvatinib", "cosine_similarity": 0.4684522747993469 } }, { "source": "CID:5702153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "cinchonine-pifithrin-mu similarity", "source_label": "cinchonine", "target_label": "pifithrin-mu", "cosine_similarity": 0.2313040941953659 } }, { "source": "CID:5191289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4031", "properties": { "id": "Ro-60-0175-mebeverine similarity", "source_label": "Ro-60-0175", "target_label": "mebeverine", "cosine_similarity": 0.2387623637914657 } }, { "source": "CID:132971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "abiraterone-perzinfotel similarity", "source_label": "abiraterone", "target_label": "perzinfotel", "cosine_similarity": 0.3541114330291748 } }, { "source": "CID:3826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "ketorolac-diphenidol similarity", "source_label": "ketorolac", "target_label": "diphenidol", "cosine_similarity": 0.4801261126995086 } }, { "source": "CID:3324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "famciclovir-PYM-50028 similarity", "source_label": "famciclovir", "target_label": "PYM-50028", "cosine_similarity": 0.4457863271236419 } }, { "source": "CID:896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "melatonin-GW-9662 similarity", "source_label": "melatonin", "target_label": "GW-9662", "cosine_similarity": 0.36623215675354 } }, { "source": "CID:25147679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66490", "properties": { "id": "diarylsulfonesulfonamide-NCI-16221 similarity", "source_label": "diarylsulfonesulfonamide", "target_label": "NCI-16221", "cosine_similarity": 0.2415190637111663 } }, { "source": "CID:6857685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "PIK-90-PI-103 similarity", "source_label": "PIK-90", "target_label": "PI-103", "cosine_similarity": 0.7319381833076477 } }, { "source": "CID:54676478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "roquinimex-dipyridamole similarity", "source_label": "roquinimex", "target_label": "dipyridamole", "cosine_similarity": 0.4823961853981018 } }, { "source": "CID:3616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:198693", "properties": { "id": "hexamethylenebisacetamide-CI-966 similarity", "source_label": "hexamethylenebisacetamide", "target_label": "CI-966", "cosine_similarity": 0.2533222734928131 } }, { "source": "CID:644213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "GW-9662-PRIMA1 similarity", "source_label": "GW-9662", "target_label": "PRIMA1", "cosine_similarity": 0.4867101311683655 } }, { "source": "CID:6857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "quinisocaine-herniarin similarity", "source_label": "quinisocaine", "target_label": "herniarin", "cosine_similarity": 0.2414911389350891 } }, { "source": "CID:1370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "CX-516-2-iminobiotin similarity", "source_label": "CX-516", "target_label": "2-iminobiotin", "cosine_similarity": 0.3875515758991241 } }, { "source": "CID:44551660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24748573", "properties": { "id": "CP-466722-CX-4945 similarity", "source_label": "CP-466722", "target_label": "CX-4945", "cosine_similarity": 0.4289759993553161 } }, { "source": "CID:12001014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "mirodenafil-phenylacetylglutamine similarity", "source_label": "mirodenafil", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.2878332138061523 } }, { "source": "CID:3519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "guanfacine-evodiamine similarity", "source_label": "guanfacine", "target_label": "evodiamine", "cosine_similarity": 0.2854288518428802 } }, { "source": "CID:5487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443872", "properties": { "id": "tizanidine-eplerenone similarity", "source_label": "tizanidine", "target_label": "eplerenone", "cosine_similarity": 0.3651615977287292 } }, { "source": "CID:44617231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707400", "properties": { "id": "SA-424371-SA-1460136 similarity", "source_label": "SA-424371", "target_label": "SA-1460136", "cosine_similarity": 0.3237117230892181 } }, { "source": "CID:9905190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353593", "properties": { "id": "CDC-DMBI similarity", "source_label": "CDC", "target_label": "DMBI", "cosine_similarity": 0.2323695868253708 } }, { "source": "CID:800654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "ARG-A1-22-BAY-11-7082 similarity", "source_label": "ARG-A1-22", "target_label": "BAY-11-7082", "cosine_similarity": 0.3309010863304138 } }, { "source": "CID:10251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708584", "properties": { "id": "flavanone-isogedunin similarity", "source_label": "flavanone", "target_label": "isogedunin", "cosine_similarity": 0.2884525060653686 } }, { "source": "CID:54654435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "SA-1472702-enrofloxacin similarity", "source_label": "SA-1472702", "target_label": "enrofloxacin", "cosine_similarity": 0.3232361674308777 } }, { "source": "CID:9808844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "telatinib-venlafaxine similarity", "source_label": "telatinib", "target_label": "venlafaxine", "cosine_similarity": 0.3011399805545807 } }, { "source": "CID:5284566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "granisetron-grazoprevir similarity", "source_label": "granisetron", "target_label": "grazoprevir", "cosine_similarity": 0.5696160793304443 } }, { "source": "CID:5479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "tinidazole-rilmenidine similarity", "source_label": "tinidazole", "target_label": "rilmenidine", "cosine_similarity": 0.2448164969682693 } }, { "source": "CID:13186954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360697", "properties": { "id": "KU-C103656-dextrorphan similarity", "source_label": "KU-C103656", "target_label": "dextrorphan", "cosine_similarity": 0.2589482367038727 } }, { "source": "CID:6610350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24880028", "properties": { "id": "SB-203580-ALW-II-38-3 similarity", "source_label": "SB-203580", "target_label": "ALW-II-38-3", "cosine_similarity": 0.3939810693264007 } }, { "source": "CID:44491382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3568", "properties": { "id": "SA-97343-EI-273 similarity", "source_label": "SA-97343", "target_label": "EI-273", "cosine_similarity": 0.2082723975181579 } }, { "source": "CID:6215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "fluocinolone-halcinonide similarity", "source_label": "fluocinolone", "target_label": "halcinonide", "cosine_similarity": 0.3239423334598541 } }, { "source": "CID:9616928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "MW-MITF24-methylene-blue similarity", "source_label": "MW-MITF24", "target_label": "methylene-blue", "cosine_similarity": 0.3207182884216308 } }, { "source": "CID:73707429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "oligomycin-a-sorafenib similarity", "source_label": "oligomycin-a", "target_label": "sorafenib", "cosine_similarity": 0.5313791632652283 } }, { "source": "CID:2406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "bithionol-CGP-71683 similarity", "source_label": "bithionol", "target_label": "CGP-71683", "cosine_similarity": 0.6964307427406311 } }, { "source": "CID:3360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:334704", "properties": { "id": "floctafenine-marmesin similarity", "source_label": "floctafenine", "target_label": "marmesin", "cosine_similarity": 0.2019042670726776 } }, { "source": "CID:4879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4935", "properties": { "id": "PP-3-proxymetacaine similarity", "source_label": "PP-3", "target_label": "proxymetacaine", "cosine_similarity": 0.230399951338768 } }, { "source": "CID:11256587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "AMD-11070-diphenylpyraline similarity", "source_label": "AMD-11070", "target_label": "diphenylpyraline", "cosine_similarity": 0.2668642103672027 } }, { "source": "CID:107930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6435415", "properties": { "id": "ecopipam-cilastatin similarity", "source_label": "ecopipam", "target_label": "cilastatin", "cosine_similarity": 0.2591115832328796 } }, { "source": "CID:60190124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498587", "properties": { "id": "SA-1939007-SA-425500 similarity", "source_label": "SA-1939007", "target_label": "SA-425500", "cosine_similarity": 0.2608371078968048 } }, { "source": "CID:4197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760141", "properties": { "id": "milrinone-moxidectin similarity", "source_label": "milrinone", "target_label": "moxidectin", "cosine_similarity": 0.4792535305023193 } }, { "source": "CID:5573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "trimebutine-pritelivir similarity", "source_label": "trimebutine", "target_label": "pritelivir", "cosine_similarity": 0.3972853124141693 } }, { "source": "CID:3032818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:235382", "properties": { "id": "naproxol-SIB-1893 similarity", "source_label": "naproxol", "target_label": "SIB-1893", "cosine_similarity": 0.2613431215286255 } }, { "source": "CID:68791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "imexon-orciprenaline similarity", "source_label": "imexon", "target_label": "orciprenaline", "cosine_similarity": 0.3844017684459686 } }, { "source": "CID:44246499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "TEPP-46-estradiol-cypionate similarity", "source_label": "TEPP-46", "target_label": "estradiol-cypionate", "cosine_similarity": 0.3137595057487488 } }, { "source": "CID:3758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281792", "properties": { "id": "IBMX-rosmarinic-acid similarity", "source_label": "IBMX", "target_label": "rosmarinic-acid", "cosine_similarity": 0.1532923430204391 } }, { "source": "CID:145659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9841972", "properties": { "id": "sinensetin-BRL-37344 similarity", "source_label": "sinensetin", "target_label": "BRL-37344", "cosine_similarity": 0.2421800792217254 } }, { "source": "CID:5281708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "daidzein-N-methylquipazine similarity", "source_label": "daidzein", "target_label": "N-methylquipazine", "cosine_similarity": 0.2743858993053436 } }, { "source": "CID:6883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "isosorbide-dinitrate-apocynin similarity", "source_label": "isosorbide-dinitrate", "target_label": "apocynin", "cosine_similarity": 0.2209179848432541 } }, { "source": "CID:2941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "D-609-lorazepam similarity", "source_label": "D-609", "target_label": "lorazepam", "cosine_similarity": 0.3925774395465851 } }, { "source": "CID:9952773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "TAK-715-VX-745 similarity", "source_label": "TAK-715", "target_label": "VX-745", "cosine_similarity": 0.54805588722229 } }, { "source": "CID:5943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "carbon-tetrachloride-hydroxyurea similarity", "source_label": "carbon-tetrachloride", "target_label": "hydroxyurea", "cosine_similarity": 0.33232381939888 } }, { "source": "CID:5400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "TER-14687-RS-I-002-6 similarity", "source_label": "TER-14687", "target_label": "RS-I-002-6", "cosine_similarity": 0.3893617689609527 } }, { "source": "CID:88129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10767", "properties": { "id": "valproxam-amyleine similarity", "source_label": "valproxam", "target_label": "amyleine", "cosine_similarity": 0.245092436671257 } }, { "source": "CID:4410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010074", "properties": { "id": "nadifloxacin-batimastat similarity", "source_label": "nadifloxacin", "target_label": "batimastat", "cosine_similarity": 0.270795613527298 } }, { "source": "CID:46843057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46912230", "properties": { "id": "GSK-2110183-SB-2343 similarity", "source_label": "GSK-2110183", "target_label": "SB-2343", "cosine_similarity": 0.4171214401721954 } }, { "source": "CID:4679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121891", "properties": { "id": "pantoprazole-mitiglinide similarity", "source_label": "pantoprazole", "target_label": "mitiglinide", "cosine_similarity": 0.368075966835022 } }, { "source": "CID:67505836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128563", "properties": { "id": "ledipasvir-salvinorin-a similarity", "source_label": "ledipasvir", "target_label": "salvinorin-a", "cosine_similarity": 0.2392236441373825 } }, { "source": "CID:44602407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "KU-C104230-gliclazide similarity", "source_label": "KU-C104230", "target_label": "gliclazide", "cosine_similarity": 0.3352693319320678 } }, { "source": "CID:51173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "flurofamide-levosulpiride similarity", "source_label": "flurofamide", "target_label": "levosulpiride", "cosine_similarity": 0.3016702830791473 } }, { "source": "CID:3878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449193", "properties": { "id": "lamotrigine-roflumilast similarity", "source_label": "lamotrigine", "target_label": "roflumilast", "cosine_similarity": 0.4522593021392822 } }, { "source": "CID:3036703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "zosuquidar-lapatinib similarity", "source_label": "zosuquidar", "target_label": "lapatinib", "cosine_similarity": 0.4040602445602417 } }, { "source": "CID:6918184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "Y-27152-efavirenz similarity", "source_label": "Y-27152", "target_label": "efavirenz", "cosine_similarity": 0.4189878106117248 } }, { "source": "CID:5360515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5011", "properties": { "id": "naltrexone-quipazine similarity", "source_label": "naltrexone", "target_label": "quipazine", "cosine_similarity": 0.3102092146873474 } }, { "source": "CID:28693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "metergoline-raloxifene similarity", "source_label": "metergoline", "target_label": "raloxifene", "cosine_similarity": 0.4625068306922912 } }, { "source": "CID:16759369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "ZM-323881-PIK-90 similarity", "source_label": "ZM-323881", "target_label": "PIK-90", "cosine_similarity": 0.2512549459934234 } }, { "source": "CID:84008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "FIT-sertraline similarity", "source_label": "FIT", "target_label": "sertraline", "cosine_similarity": 0.6277909278869629 } }, { "source": "CID:9803963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "GW-501516-dienestrol similarity", "source_label": "GW-501516", "target_label": "dienestrol", "cosine_similarity": 0.4919922649860382 } }, { "source": "CID:5166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "SB-239063-TAK-715 similarity", "source_label": "SB-239063", "target_label": "TAK-715", "cosine_similarity": 0.5321076512336731 } }, { "source": "CID:44492086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "SD-8-006-VU-0405172-2 similarity", "source_label": "SD-8-006", "target_label": "VU-0405172-2", "cosine_similarity": 0.2830213606357574 } }, { "source": "CID:50904129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66577006", "properties": { "id": "ARG-CSC2-40-KIN001-270 similarity", "source_label": "ARG-CSC2-40", "target_label": "KIN001-270", "cosine_similarity": 0.2037363350391388 } }, { "source": "CID:5714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "YS-035-pemoline similarity", "source_label": "YS-035", "target_label": "pemoline", "cosine_similarity": 0.2415457367897033 } }, { "source": "CID:2378095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155806", "properties": { "id": "decafluorobutane-MMPX similarity", "source_label": "decafluorobutane", "target_label": "MMPX", "cosine_similarity": 0.2305945307016372 } }, { "source": "CID:3001077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "fusidic-acid-riociguat similarity", "source_label": "fusidic-acid", "target_label": "riociguat", "cosine_similarity": 0.3957513570785522 } }, { "source": "CID:10366136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "crenolanib-AZD-5438 similarity", "source_label": "crenolanib", "target_label": "AZD-5438", "cosine_similarity": 0.3863053619861603 } }, { "source": "CID:73438898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10029385", "properties": { "id": "CHIR-99021-LY-2090314 similarity", "source_label": "CHIR-99021", "target_label": "LY-2090314", "cosine_similarity": 0.6217017769813538 } }, { "source": "CID:5287620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "brefeldin-a-thapsigargin similarity", "source_label": "brefeldin-a", "target_label": "thapsigargin", "cosine_similarity": 0.6566751003265381 } }, { "source": "CID:441728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "deltaline-evodiamine similarity", "source_label": "deltaline", "target_label": "evodiamine", "cosine_similarity": 0.310330331325531 } }, { "source": "CID:3938007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "ZD-7288-benzbromarone similarity", "source_label": "ZD-7288", "target_label": "benzbromarone", "cosine_similarity": 0.4883553385734558 } }, { "source": "CID:442009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "carnosol-cerulenin similarity", "source_label": "carnosol", "target_label": "cerulenin", "cosine_similarity": 0.3483107089996338 } }, { "source": "CID:3034756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "formoterol-vortioxetine similarity", "source_label": "formoterol", "target_label": "vortioxetine", "cosine_similarity": 0.436748057603836 } }, { "source": "CID:4740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "pentoxifylline-marbofloxacin similarity", "source_label": "pentoxifylline", "target_label": "marbofloxacin", "cosine_similarity": 0.4623872935771942 } }, { "source": "CID:128018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "GR-55562-trifluoperazine similarity", "source_label": "GR-55562", "target_label": "trifluoperazine", "cosine_similarity": 0.3558011353015899 } }, { "source": "CID:4436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899", "properties": { "id": "naphazoline-leflunomide similarity", "source_label": "naphazoline", "target_label": "leflunomide", "cosine_similarity": 0.2741508483886719 } }, { "source": "CID:6708716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "catechin-zebularine similarity", "source_label": "catechin", "target_label": "zebularine", "cosine_similarity": 0.3485024273395538 } }, { "source": "CID:5282493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "clocortolone-pivalate-halcinonide similarity", "source_label": "clocortolone-pivalate", "target_label": "halcinonide", "cosine_similarity": 0.6325286030769348 } }, { "source": "CID:11773081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10405323", "properties": { "id": "norgestimate-WR-216174 similarity", "source_label": "norgestimate", "target_label": "WR-216174", "cosine_similarity": 0.344793438911438 } }, { "source": "CID:49831257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1356208", "properties": { "id": "filgotinib-SANT-1 similarity", "source_label": "filgotinib", "target_label": "SANT-1", "cosine_similarity": 0.3505862951278686 } }, { "source": "CID:44505479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SA-419010-gossypin similarity", "source_label": "SA-419010", "target_label": "gossypin", "cosine_similarity": 0.3393968045711517 } }, { "source": "CID:4336830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "SC-19220-cinoxacin similarity", "source_label": "SC-19220", "target_label": "cinoxacin", "cosine_similarity": 0.2125040888786316 } }, { "source": "CID:31635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5565", "properties": { "id": "tromaril-trientine similarity", "source_label": "tromaril", "target_label": "trientine", "cosine_similarity": 0.1896394789218902 } }, { "source": "CID:11326715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "ostarine-rotundine similarity", "source_label": "ostarine", "target_label": "rotundine", "cosine_similarity": 0.5088093280792236 } }, { "source": "CID:1775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "phenytoin-primaquine similarity", "source_label": "phenytoin", "target_label": "primaquine", "cosine_similarity": 0.4557755589485168 } }, { "source": "CID:5281004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "budesonide-clocortolone-pivalate similarity", "source_label": "budesonide", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.5732782483100891 } }, { "source": "CID:54613931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-441412-SA-441181 similarity", "source_label": "SA-441412", "target_label": "SA-441181", "cosine_similarity": 0.3641626238822937 } }, { "source": "CID:121926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135659046", "properties": { "id": "ZK-93423-salermide similarity", "source_label": "ZK-93423", "target_label": "salermide", "cosine_similarity": 0.4524787068367004 } }, { "source": "CID:7972413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "KB188-III-56-SB-203580 similarity", "source_label": "KB188-III-56", "target_label": "SB-203580", "cosine_similarity": 0.3086730539798736 } }, { "source": "CID:6291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "mestranol-EX-527 similarity", "source_label": "mestranol", "target_label": "EX-527", "cosine_similarity": 0.3844099640846252 } }, { "source": "CID:49766538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "MW-RAS9-imiquimod similarity", "source_label": "MW-RAS9", "target_label": "imiquimod", "cosine_similarity": 0.3171600997447967 } }, { "source": "CID:57369718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "vecuronium-APO-866 similarity", "source_label": "vecuronium", "target_label": "APO-866", "cosine_similarity": 0.3636079430580139 } }, { "source": "CID:442424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "genipin-6-hydroxytropinone similarity", "source_label": "genipin", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.3473378121852875 } }, { "source": "CID:442894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "desoxypeganine-cinoxacin similarity", "source_label": "desoxypeganine", "target_label": "cinoxacin", "cosine_similarity": 0.4647422730922699 } }, { "source": "CID:6780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "anthraquinone-chloroxylenol similarity", "source_label": "anthraquinone", "target_label": "chloroxylenol", "cosine_similarity": 0.6549228429794312 } }, { "source": "CID:449193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "roflumilast-dienestrol similarity", "source_label": "roflumilast", "target_label": "dienestrol", "cosine_similarity": 0.4511184692382812 } }, { "source": "CID:5702003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "mitomycin-c-camptothecin similarity", "source_label": "mitomycin-c", "target_label": "camptothecin", "cosine_similarity": 0.6987805366516113 } }, { "source": "CID:9848818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "ursodeoxycholyltaurine-valsartan similarity", "source_label": "ursodeoxycholyltaurine", "target_label": "valsartan", "cosine_similarity": 0.2924766540527344 } }, { "source": "CID:9911463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "GW-405833-SA-1973507 similarity", "source_label": "GW-405833", "target_label": "SA-1973507", "cosine_similarity": 0.4589099884033203 } }, { "source": "CID:44143700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "KUC103424N-CS-2092524 similarity", "source_label": "KUC103424N", "target_label": "CS-2092524", "cosine_similarity": 0.2485826015472412 } }, { "source": "CID:16102146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "O-2050-macitentan similarity", "source_label": "O-2050", "target_label": "macitentan", "cosine_similarity": 0.3938499093055725 } }, { "source": "CID:4500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "nisoxetine-pepstatin similarity", "source_label": "nisoxetine", "target_label": "pepstatin", "cosine_similarity": 0.3553912937641144 } }, { "source": "CID:5281437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "costunolide-AG-957 similarity", "source_label": "costunolide", "target_label": "AG-957", "cosine_similarity": 0.3639646172523498 } }, { "source": "CID:54657738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "SA-1458487-SA-1458026 similarity", "source_label": "SA-1458487", "target_label": "SA-1458026", "cosine_similarity": 0.3241690695285797 } }, { "source": "CID:126769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "SB-200646-fumonisin-b1 similarity", "source_label": "SB-200646", "target_label": "fumonisin-b1", "cosine_similarity": 0.2623354494571686 } }, { "source": "CID:2335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4135", "properties": { "id": "benzethonium-methyl-benzethonium similarity", "source_label": "benzethonium", "target_label": "methyl-benzethonium", "cosine_similarity": 0.7332014441490173 } }, { "source": "CID:97807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "safrolglycol-SB-239063 similarity", "source_label": "safrolglycol", "target_label": "SB-239063", "cosine_similarity": 0.3170370161533355 } }, { "source": "CID:177236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:305", "properties": { "id": "darusentan-choline similarity", "source_label": "darusentan", "target_label": "choline", "cosine_similarity": 0.1450603157281875 } }, { "source": "CID:5734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "zonisamide-repaglinide similarity", "source_label": "zonisamide", "target_label": "repaglinide", "cosine_similarity": 0.4164577126502991 } }, { "source": "CID:135560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "EMF-csc-9-temozolomide similarity", "source_label": "EMF-csc-9", "target_label": "temozolomide", "cosine_similarity": 0.4154510796070099 } }, { "source": "CID:32334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "beta-alanine-carprofen similarity", "source_label": "beta-alanine", "target_label": "carprofen", "cosine_similarity": 0.1833374202251434 } }, { "source": "CID:8421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088438", "properties": { "id": "homoveratrylamine-ML-130 similarity", "source_label": "homoveratrylamine", "target_label": "ML-130", "cosine_similarity": 0.2468065023422241 } }, { "source": "CID:2520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "verapamil-flecainide similarity", "source_label": "verapamil", "target_label": "flecainide", "cosine_similarity": 0.4004379510879516 } }, { "source": "CID:3947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "lofepramine-terfenadine similarity", "source_label": "lofepramine", "target_label": "terfenadine", "cosine_similarity": 0.2651301920413971 } }, { "source": "CID:73707524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "stanozolol-GSK-J2 similarity", "source_label": "stanozolol", "target_label": "GSK-J2", "cosine_similarity": 0.2449101507663726 } }, { "source": "CID:73707548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3682562", "properties": { "id": "BG-1002-BG-1001 similarity", "source_label": "BG-1002", "target_label": "BG-1001", "cosine_similarity": 0.2594685554504394 } }, { "source": "CID:137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "aminolevulinic-acid-rocuronium similarity", "source_label": "aminolevulinic-acid", "target_label": "rocuronium", "cosine_similarity": 0.4019277691841125 } }, { "source": "CID:4913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "procainamide-metamizole similarity", "source_label": "procainamide", "target_label": "metamizole", "cosine_similarity": 0.3896533250808716 } }, { "source": "CID:4806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759169", "properties": { "id": "phthalylsulfathiazole-ACDPP similarity", "source_label": "phthalylsulfathiazole", "target_label": "ACDPP", "cosine_similarity": 0.2502941489219665 } }, { "source": "CID:44483269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68602", "properties": { "id": "atovaquone-medetomidine similarity", "source_label": "atovaquone", "target_label": "medetomidine", "cosine_similarity": 0.3736186921596527 } }, { "source": "CID:16122663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "mericitabine-HMN-214 similarity", "source_label": "mericitabine", "target_label": "HMN-214", "cosine_similarity": 0.3150734901428222 } }, { "source": "CID:5282054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "cerulenin-pifithrin-mu similarity", "source_label": "cerulenin", "target_label": "pifithrin-mu", "cosine_similarity": 0.8819929957389832 } }, { "source": "CID:122335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64971", "properties": { "id": "efaproxiral-betulinic-acid similarity", "source_label": "efaproxiral", "target_label": "betulinic-acid", "cosine_similarity": 0.4198046922683716 } }, { "source": "CID:24871028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25147679", "properties": { "id": "nystatin-diarylsulfonesulfonamide similarity", "source_label": "nystatin", "target_label": "diarylsulfonesulfonamide", "cosine_similarity": 0.2091377079486847 } }, { "source": "CID:54615594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654560", "properties": { "id": "SA-427730-SA-1473468 similarity", "source_label": "SA-427730", "target_label": "SA-1473468", "cosine_similarity": 0.2507368326187134 } }, { "source": "CID:3033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "diclofenac-naftifine similarity", "source_label": "diclofenac", "target_label": "naftifine", "cosine_similarity": 0.3847613036632538 } }, { "source": "CID:454216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "valrubicin-amsacrine similarity", "source_label": "valrubicin", "target_label": "amsacrine", "cosine_similarity": 0.6970498561859131 } }, { "source": "CID:5311100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "fluprostenol-fillalbin similarity", "source_label": "fluprostenol", "target_label": "fillalbin", "cosine_similarity": 0.2599920332431793 } }, { "source": "CID:43345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "P-1075-EMF-csc-9 similarity", "source_label": "P-1075", "target_label": "EMF-csc-9", "cosine_similarity": 0.333255261182785 } }, { "source": "CID:20039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4992", "properties": { "id": "dideoxyadenosine-mepyramine similarity", "source_label": "dideoxyadenosine", "target_label": "mepyramine", "cosine_similarity": 0.4505159258842468 } }, { "source": "CID:60187003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484010", "properties": { "id": "SA-1937536-SA-85764 similarity", "source_label": "SA-1937536", "target_label": "SA-85764", "cosine_similarity": 0.2933182716369629 } }, { "source": "CID:135179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "EMD-41000-alpha-tocopherol similarity", "source_label": "EMD-41000", "target_label": "alpha-tocopherol", "cosine_similarity": 0.2136859595775604 } }, { "source": "CID:2482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1359", "properties": { "id": "butamben-TRIM similarity", "source_label": "butamben", "target_label": "TRIM", "cosine_similarity": 0.2663915157318115 } }, { "source": "CID:91610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "gliquidone-GNF-2 similarity", "source_label": "gliquidone", "target_label": "GNF-2", "cosine_similarity": 0.3252723515033722 } }, { "source": "CID:24360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "camptothecin-mitomycin-c similarity", "source_label": "camptothecin", "target_label": "mitomycin-c", "cosine_similarity": 0.6987805366516113 } }, { "source": "CID:9813758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109823", "properties": { "id": "BMS-345541-AS-601245 similarity", "source_label": "BMS-345541", "target_label": "AS-601245", "cosine_similarity": 0.5335748791694641 } }, { "source": "CID:5281804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9910486", "properties": { "id": "prunetin-SB-705498 similarity", "source_label": "prunetin", "target_label": "SB-705498", "cosine_similarity": 0.2149388790130615 } }, { "source": "CID:16736978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "KU-0063794-NVP-BEZ235 similarity", "source_label": "KU-0063794", "target_label": "NVP-BEZ235", "cosine_similarity": 0.9168373346328736 } }, { "source": "CID:4813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "piceatannol-SA-792709 similarity", "source_label": "piceatannol", "target_label": "SA-792709", "cosine_similarity": 0.5046781897544861 } }, { "source": "CID:405012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10621", "properties": { "id": "indoximod-hesperidin similarity", "source_label": "indoximod", "target_label": "hesperidin", "cosine_similarity": 0.2485592514276504 } }, { "source": "CID:4302960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "GR-103691-CCT-031374 similarity", "source_label": "GR-103691", "target_label": "CCT-031374", "cosine_similarity": 0.3491633832454681 } }, { "source": "CID:24826799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "ponatinib-afatinib similarity", "source_label": "ponatinib", "target_label": "afatinib", "cosine_similarity": 0.5982147455215454 } }, { "source": "CID:54654463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620013", "properties": { "id": "SA-1472542-SA-424294 similarity", "source_label": "SA-1472542", "target_label": "SA-424294", "cosine_similarity": 0.2537654042243957 } }, { "source": "CID:4641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "oxyphenbutazone-NSC-632839 similarity", "source_label": "oxyphenbutazone", "target_label": "NSC-632839", "cosine_similarity": 0.5303885340690613 } }, { "source": "CID:5503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3314", "properties": { "id": "tolazamide-eugenol similarity", "source_label": "tolazamide", "target_label": "eugenol", "cosine_similarity": 0.4110797047615051 } }, { "source": "CID:11317348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "KI-8751-ingenol similarity", "source_label": "KI-8751", "target_label": "ingenol", "cosine_similarity": 0.3690880835056305 } }, { "source": "CID:6305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "tryptophan-flecainide similarity", "source_label": "tryptophan", "target_label": "flecainide", "cosine_similarity": 0.2390860915184021 } }, { "source": "CID:46191454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "PHA-793887-palbociclib similarity", "source_label": "PHA-793887", "target_label": "palbociclib", "cosine_similarity": 0.5739182233810425 } }, { "source": "CID:73707386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3488", "properties": { "id": "prima-1-met-glibenclamide similarity", "source_label": "prima-1-met", "target_label": "glibenclamide", "cosine_similarity": 0.4582374691963196 } }, { "source": "CID:23786513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "NK26-I-41-1-phenoxazine similarity", "source_label": "NK26-I-41-1", "target_label": "phenoxazine", "cosine_similarity": 0.2887748181819916 } }, { "source": "CID:16656685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "danegaptide-grazoprevir similarity", "source_label": "danegaptide", "target_label": "grazoprevir", "cosine_similarity": 0.5931045413017273 } }, { "source": "CID:54666567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658402", "properties": { "id": "SA-1922261-SA-1458026 similarity", "source_label": "SA-1922261", "target_label": "SA-1458026", "cosine_similarity": 0.2411620616912841 } }, { "source": "CID:182593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "RS-23597-190-GW-9662 similarity", "source_label": "RS-23597-190", "target_label": "GW-9662", "cosine_similarity": 0.4412074089050293 } }, { "source": "CID:44488817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4065", "properties": { "id": "SA-84512-meprylcaine similarity", "source_label": "SA-84512", "target_label": "meprylcaine", "cosine_similarity": 0.3225689232349396 } }, { "source": "CID:6437862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "drotaverine-gefitinib similarity", "source_label": "drotaverine", "target_label": "gefitinib", "cosine_similarity": 0.2644453048706054 } }, { "source": "CID:3064778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "hydroxyfasudil-CS-2092524 similarity", "source_label": "hydroxyfasudil", "target_label": "CS-2092524", "cosine_similarity": 0.2967006266117096 } }, { "source": "CID:73707421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "ascorbic-acid-travoprost similarity", "source_label": "ascorbic-acid", "target_label": "travoprost", "cosine_similarity": 0.2886691689491272 } }, { "source": "CID:11647372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "ZSTK-474-PI-103 similarity", "source_label": "ZSTK-474", "target_label": "PI-103", "cosine_similarity": 0.7932680249214172 } }, { "source": "CID:4684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3579902", "properties": { "id": "parachlorophenol-KU-C103874 similarity", "source_label": "parachlorophenol", "target_label": "KU-C103874", "cosine_similarity": 0.2298939824104309 } }, { "source": "CID:52912189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71271629", "properties": { "id": "I-BET-151-PFI-1 similarity", "source_label": "I-BET-151", "target_label": "PFI-1", "cosine_similarity": 0.8711305856704712 } }, { "source": "CID:3334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11494412", "properties": { "id": "fenbendazole-tivantinib similarity", "source_label": "fenbendazole", "target_label": "tivantinib", "cosine_similarity": 0.6407010555267334 } }, { "source": "CID:4887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "pranlukast-phenylacetylglutamine similarity", "source_label": "pranlukast", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.2035757303237915 } }, { "source": "CID:91270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "moexipril-TEPP-46 similarity", "source_label": "moexipril", "target_label": "TEPP-46", "cosine_similarity": 0.2264562249183654 } }, { "source": "CID:2818982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "KM-00519SC-APO-866 similarity", "source_label": "KM-00519SC", "target_label": "APO-866", "cosine_similarity": 0.3846534788608551 } }, { "source": "CID:3946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108137", "properties": { "id": "lobenzarit-SCH-28080 similarity", "source_label": "lobenzarit", "target_label": "SCH-28080", "cosine_similarity": 0.3926480710506439 } }, { "source": "CID:127404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604928", "properties": { "id": "isamoltane-GS-39783 similarity", "source_label": "isamoltane", "target_label": "GS-39783", "cosine_similarity": 0.2624060809612274 } }, { "source": "CID:9064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "cianidanol-pentoxifylline similarity", "source_label": "cianidanol", "target_label": "pentoxifylline", "cosine_similarity": 0.4670526385307312 } }, { "source": "CID:135179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6857685", "properties": { "id": "EMD-41000-PIK-90 similarity", "source_label": "EMD-41000", "target_label": "PIK-90", "cosine_similarity": 0.2297360450029373 } }, { "source": "CID:7741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4203080", "properties": { "id": "betazole-L-655708 similarity", "source_label": "betazole", "target_label": "L-655708", "cosine_similarity": 0.1937749087810516 } }, { "source": "CID:6249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ampicillin-FTI-276 similarity", "source_label": "ampicillin", "target_label": "FTI-276", "cosine_similarity": 0.2691091895103454 } }, { "source": "CID:3052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "diethylcarbamazine-ketotifen similarity", "source_label": "diethylcarbamazine", "target_label": "ketotifen", "cosine_similarity": 0.3829970955848694 } }, { "source": "CID:16666708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "AZD-8330-PD-184352 similarity", "source_label": "AZD-8330", "target_label": "PD-184352", "cosine_similarity": 0.821897029876709 } }, { "source": "CID:42574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1727", "properties": { "id": "closantel-dalfampridine similarity", "source_label": "closantel", "target_label": "dalfampridine", "cosine_similarity": 0.3021990358829498 } }, { "source": "CID:73265276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "WZ-7043-PD-0325901 similarity", "source_label": "WZ-7043", "target_label": "PD-0325901", "cosine_similarity": 0.3667764663696289 } }, { "source": "CID:11705608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "APD-668-glimepiride similarity", "source_label": "APD-668", "target_label": "glimepiride", "cosine_similarity": 0.3290128111839294 } }, { "source": "CID:5702076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603820", "properties": { "id": "isoxsuprine-dihydrexidine similarity", "source_label": "isoxsuprine", "target_label": "dihydrexidine", "cosine_similarity": 0.2785801589488983 } }, { "source": "CID:71317162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "GSK-1059615-PI-103 similarity", "source_label": "GSK-1059615", "target_label": "PI-103", "cosine_similarity": 0.7396606206893921 } }, { "source": "CID:4034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178024", "properties": { "id": "meclizine-ibutamoren similarity", "source_label": "meclizine", "target_label": "ibutamoren", "cosine_similarity": 0.5163949728012085 } }, { "source": "CID:11511120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "dacomitinib-gefitinib similarity", "source_label": "dacomitinib", "target_label": "gefitinib", "cosine_similarity": 0.497121661901474 } }, { "source": "CID:691868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:328236", "properties": { "id": "ST-4029010-heraclenol similarity", "source_label": "ST-4029010", "target_label": "heraclenol", "cosine_similarity": 0.3328505158424377 } }, { "source": "CID:44629744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "KU-C104248-tetrahydrouridine similarity", "source_label": "KU-C104248", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6158966422080994 } }, { "source": "CID:44496365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884817", "properties": { "id": "SA-243929-GR-79236 similarity", "source_label": "SA-243929", "target_label": "GR-79236", "cosine_similarity": 0.2840126156806946 } }, { "source": "CID:3082718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "ICI-199441-FIT similarity", "source_label": "ICI-199441", "target_label": "FIT", "cosine_similarity": 0.4293181896209717 } }, { "source": "CID:53302361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "HG-6-64-01-RAF-265 similarity", "source_label": "HG-6-64-01", "target_label": "RAF-265", "cosine_similarity": 0.6161318421363831 } }, { "source": "CID:44483281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "GW-4064-CS-2092524 similarity", "source_label": "GW-4064", "target_label": "CS-2092524", "cosine_similarity": 0.237667977809906 } }, { "source": "CID:2817242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12791166", "properties": { "id": "BML-266-ketocholesterol similarity", "source_label": "BML-266", "target_label": "ketocholesterol", "cosine_similarity": 0.2939683794975281 } }, { "source": "CID:9816959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "CO-102862-lorcaserin similarity", "source_label": "CO-102862", "target_label": "lorcaserin", "cosine_similarity": 0.4402324855327606 } }, { "source": "CID:6857791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "sappanone-a-K784-3188 similarity", "source_label": "sappanone-a", "target_label": "K784-3188", "cosine_similarity": 0.4534879326820373 } }, { "source": "CID:177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "acetaldehyde-GSK-J2 similarity", "source_label": "acetaldehyde", "target_label": "GSK-J2", "cosine_similarity": 0.2329724580049514 } }, { "source": "CID:10322450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "KO-143-vemurafenib similarity", "source_label": "KO-143", "target_label": "vemurafenib", "cosine_similarity": 0.6269281506538391 } }, { "source": "CID:5328768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3489614", "properties": { "id": "TYRPHOSTIN-46-CGP-54626 similarity", "source_label": "TYRPHOSTIN-46", "target_label": "CGP-54626", "cosine_similarity": 0.2937059998512268 } }, { "source": "CID:31635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "tromaril-levamisole similarity", "source_label": "tromaril", "target_label": "levamisole", "cosine_similarity": 0.1846435666084289 } }, { "source": "CID:12625909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "cloxacillin-2-phenylmelatonin similarity", "source_label": "cloxacillin", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.3325388431549072 } }, { "source": "CID:4917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "prochlorperazine-entecavir similarity", "source_label": "prochlorperazine", "target_label": "entecavir", "cosine_similarity": 0.3622710406780243 } }, { "source": "CID:7092995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "dehydroepiandrosterone-felodipine similarity", "source_label": "dehydroepiandrosterone", "target_label": "felodipine", "cosine_similarity": 0.3123790621757507 } }, { "source": "CID:3292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "ethotoin-marbofloxacin similarity", "source_label": "ethotoin", "target_label": "marbofloxacin", "cosine_similarity": 0.2637604176998138 } }, { "source": "CID:4849", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "piretanide-actarit similarity", "source_label": "piretanide", "target_label": "actarit", "cosine_similarity": 0.3882744312286377 } }, { "source": "CID:2799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50312", "properties": { "id": "clofoctol-fiacitabine similarity", "source_label": "clofoctol", "target_label": "fiacitabine", "cosine_similarity": 0.3069457113742828 } }, { "source": "CID:6769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126280", "properties": { "id": "syrosingopine-indatraline similarity", "source_label": "syrosingopine", "target_label": "indatraline", "cosine_similarity": 0.2513794004917145 } }, { "source": "CID:4687238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "L-693403-mannitol similarity", "source_label": "L-693403", "target_label": "mannitol", "cosine_similarity": 0.2162334769964218 } }, { "source": "CID:4822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3351", "properties": { "id": "pimethixene-fipexide similarity", "source_label": "pimethixene", "target_label": "fipexide", "cosine_similarity": 0.1869350224733352 } }, { "source": "CID:14900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "1-monopalmitin-6-hydroxytropinone similarity", "source_label": "1-monopalmitin", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.2992402911186218 } }, { "source": "CID:4830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "pipamperone-molsidomine similarity", "source_label": "pipamperone", "target_label": "molsidomine", "cosine_similarity": 0.4175472557544708 } }, { "source": "CID:5351542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "morphothebaine-pemetrexed similarity", "source_label": "morphothebaine", "target_label": "pemetrexed", "cosine_similarity": 0.303436815738678 } }, { "source": "CID:6711154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "CGP-53353-oncrasin-1 similarity", "source_label": "CGP-53353", "target_label": "oncrasin-1", "cosine_similarity": 0.2848851978778839 } }, { "source": "CID:44968231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25226117", "properties": { "id": "ML-167-HG-5-88-01 similarity", "source_label": "ML-167", "target_label": "HG-5-88-01", "cosine_similarity": 0.238657921552658 } }, { "source": "CID:2777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "CL-82198-parecoxib similarity", "source_label": "CL-82198", "target_label": "parecoxib", "cosine_similarity": 0.2917003035545349 } }, { "source": "CID:54660081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620013", "properties": { "id": "SA-1456859-SA-424294 similarity", "source_label": "SA-1456859", "target_label": "SA-424294", "cosine_similarity": 0.2818517088890075 } }, { "source": "CID:13927312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "KU-C103443N-heliomycin similarity", "source_label": "KU-C103443N", "target_label": "heliomycin", "cosine_similarity": 0.2942088842391968 } }, { "source": "CID:107970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57662985", "properties": { "id": "fingolimod-BMS-833923 similarity", "source_label": "fingolimod", "target_label": "BMS-833923", "cosine_similarity": 0.3077638447284698 } }, { "source": "CID:44543525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "KU-C103871-cerulenin similarity", "source_label": "KU-C103871", "target_label": "cerulenin", "cosine_similarity": 0.207709327340126 } }, { "source": "CID:54667389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484592", "properties": { "id": "SA-1919345-SA-424534 similarity", "source_label": "SA-1919345", "target_label": "SA-424534", "cosine_similarity": 0.299944669008255 } }, { "source": "CID:44483340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "GW-6471-AG-879 similarity", "source_label": "GW-6471", "target_label": "AG-879", "cosine_similarity": 0.3027084469795227 } }, { "source": "CID:5284566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "granisetron-gimeracil similarity", "source_label": "granisetron", "target_label": "gimeracil", "cosine_similarity": 0.5720818638801575 } }, { "source": "CID:5325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3241", "properties": { "id": "sulfamerazine-epinastine similarity", "source_label": "sulfamerazine", "target_label": "epinastine", "cosine_similarity": 0.2089542746543884 } }, { "source": "CID:2541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "candesartan-mirtazapine similarity", "source_label": "candesartan", "target_label": "mirtazapine", "cosine_similarity": 0.3189226388931274 } }, { "source": "CID:770820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "O-3M3FBS-PTB1 similarity", "source_label": "O-3M3FBS", "target_label": "PTB1", "cosine_similarity": 0.2843608856201172 } }, { "source": "CID:54657705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488194", "properties": { "id": "SA-1459172-SA-426029 similarity", "source_label": "SA-1459172", "target_label": "SA-426029", "cosine_similarity": 0.3820909261703491 } }, { "source": "CID:3728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "iodoquinol-gramine similarity", "source_label": "iodoquinol", "target_label": "gramine", "cosine_similarity": 0.5010122656822205 } }, { "source": "CID:4445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "rhodomyrtoxin-CGP-71683 similarity", "source_label": "rhodomyrtoxin", "target_label": "CGP-71683", "cosine_similarity": 0.377031922340393 } }, { "source": "CID:54653980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "SA-1472321-ketotifen similarity", "source_label": "SA-1472321", "target_label": "ketotifen", "cosine_similarity": 0.2528936266899109 } }, { "source": "CID:135560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "EMF-csc-9-CGS-21680 similarity", "source_label": "EMF-csc-9", "target_label": "CGS-21680", "cosine_similarity": 0.4905271828174591 } }, { "source": "CID:2630179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "EMF-sumo1-12-rolipram similarity", "source_label": "EMF-sumo1-12", "target_label": "rolipram", "cosine_similarity": 0.3586170971393585 } }, { "source": "CID:2018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "actarit-cholic-acid similarity", "source_label": "actarit", "target_label": "cholic-acid", "cosine_similarity": 0.6298176646232605 } }, { "source": "CID:216239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "sorafenib-dabrafenib similarity", "source_label": "sorafenib", "target_label": "dabrafenib", "cosine_similarity": 0.6419714093208313 } }, { "source": "CID:129010025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667705", "properties": { "id": "azithromycin-exemestane similarity", "source_label": "azithromycin", "target_label": "exemestane", "cosine_similarity": 0.4522149860858917 } }, { "source": "CID:5286565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "ST-4029573-MD-II-008-P similarity", "source_label": "ST-4029573", "target_label": "MD-II-008-P", "cosine_similarity": 0.5733305215835571 } }, { "source": "CID:6623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "bisphenol-a-KM-03949SC similarity", "source_label": "bisphenol-a", "target_label": "KM-03949SC", "cosine_similarity": 0.3785182535648346 } }, { "source": "CID:9549289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3784", "properties": { "id": "TWS-119-isradipine similarity", "source_label": "TWS-119", "target_label": "isradipine", "cosine_similarity": 0.388657808303833 } }, { "source": "CID:3038522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "tandutinib-simvastatin similarity", "source_label": "tandutinib", "target_label": "simvastatin", "cosine_similarity": 0.530735969543457 } }, { "source": "CID:9850876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "SR-33805-loxoprofen similarity", "source_label": "SR-33805", "target_label": "loxoprofen", "cosine_similarity": 0.4229908883571625 } }, { "source": "CID:447912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "T-0901317-lasalocid similarity", "source_label": "T-0901317", "target_label": "lasalocid", "cosine_similarity": 0.3292935192584991 } }, { "source": "CID:23947034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "I-070754-T-5345967 similarity", "source_label": "I-070754", "target_label": "T-5345967", "cosine_similarity": 0.2436724007129669 } }, { "source": "CID:5712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "YC-1-camptothecin similarity", "source_label": "YC-1", "target_label": "camptothecin", "cosine_similarity": 0.3918609023094177 } }, { "source": "CID:6253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "cytarabine-mitomycin-c similarity", "source_label": "cytarabine", "target_label": "mitomycin-c", "cosine_similarity": 0.6391449570655823 } }, { "source": "CID:10405323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "WR-216174-F-1566-0341 similarity", "source_label": "WR-216174", "target_label": "F-1566-0341", "cosine_similarity": 0.502994179725647 } }, { "source": "CID:5467485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "AG-592-SKI-II similarity", "source_label": "AG-592", "target_label": "SKI-II", "cosine_similarity": 0.6896800994873047 } }, { "source": "CID:5359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "suprofen-nafamostat similarity", "source_label": "suprofen", "target_label": "nafamostat", "cosine_similarity": 0.3144961893558502 } }, { "source": "CID:71183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42785", "properties": { "id": "methscopolamine-metenkephalin similarity", "source_label": "methscopolamine", "target_label": "metenkephalin", "cosine_similarity": 0.2789219915866852 } }, { "source": "CID:9941444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10186367", "properties": { "id": "pasireotide-CT-7758 similarity", "source_label": "pasireotide", "target_label": "CT-7758", "cosine_similarity": 0.3096873164176941 } }, { "source": "CID:9961192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "L-161982-RK-682 similarity", "source_label": "L-161982", "target_label": "RK-682", "cosine_similarity": 0.3444014191627502 } }, { "source": "CID:9953065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "SLV-320-chlorpyrifos similarity", "source_label": "SLV-320", "target_label": "chlorpyrifos", "cosine_similarity": 0.3321423828601837 } }, { "source": "CID:442195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "cephaeline-narciclasine similarity", "source_label": "cephaeline", "target_label": "narciclasine", "cosine_similarity": 0.8270668387413025 } }, { "source": "CID:24747272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124172", "properties": { "id": "PSH-023-SC-9 similarity", "source_label": "PSH-023", "target_label": "SC-9", "cosine_similarity": 0.278540551662445 } }, { "source": "CID:2146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "aminoguanidine-benzbromarone similarity", "source_label": "aminoguanidine", "target_label": "benzbromarone", "cosine_similarity": 0.4987884163856506 } }, { "source": "CID:20555075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9823820", "properties": { "id": "CGP-12177-lenvatinib similarity", "source_label": "CGP-12177", "target_label": "lenvatinib", "cosine_similarity": 0.5923354625701904 } }, { "source": "CID:4071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "mercaptopurine-WHI-P154 similarity", "source_label": "mercaptopurine", "target_label": "WHI-P154", "cosine_similarity": 0.266494482755661 } }, { "source": "CID:128268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "FPL-62064-cholic-acid similarity", "source_label": "FPL-62064", "target_label": "cholic-acid", "cosine_similarity": 0.4775241613388061 } }, { "source": "CID:2955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46883536", "properties": { "id": "dapsone-avagacestat similarity", "source_label": "dapsone", "target_label": "avagacestat", "cosine_similarity": 0.3075179159641266 } }, { "source": "CID:4098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "methapyrilene-YK-4279 similarity", "source_label": "methapyrilene", "target_label": "YK-4279", "cosine_similarity": 0.2952174842357635 } }, { "source": "CID:2419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "BMY-7378-7-nitroindazole similarity", "source_label": "BMY-7378", "target_label": "7-nitroindazole", "cosine_similarity": 0.3180763125419616 } }, { "source": "CID:91769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10668211", "properties": { "id": "zolantidine-R-96544 similarity", "source_label": "zolantidine", "target_label": "R-96544", "cosine_similarity": 0.3570500910282135 } }, { "source": "CID:44665680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "KU-C104502N-Gly-Gly-PALO similarity", "source_label": "KU-C104502N", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2778685390949249 } }, { "source": "CID:29327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "streptozotocin-PT-630 similarity", "source_label": "streptozotocin", "target_label": "PT-630", "cosine_similarity": 0.3252973556518554 } }, { "source": "CID:44498186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "SD-6-035-B1-lasalocid similarity", "source_label": "SD-6-035-B1", "target_label": "lasalocid", "cosine_similarity": 0.3068814277648926 } }, { "source": "CID:15096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12540", "properties": { "id": "tributyltin-triphenyl-tin similarity", "source_label": "tributyltin", "target_label": "triphenyl-tin", "cosine_similarity": 0.3601711988449096 } }, { "source": "CID:89594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "nicotine-aliskiren similarity", "source_label": "nicotine", "target_label": "aliskiren", "cosine_similarity": 0.3718403577804565 } }, { "source": "CID:73707382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "myriocin-PT-630 similarity", "source_label": "myriocin", "target_label": "PT-630", "cosine_similarity": 0.5183200240135193 } }, { "source": "CID:5702069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "hydrocortisone-hemisuccinate-clocortolone-pivalate similarity", "source_label": "hydrocortisone-hemisuccinate", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.3664816319942474 } }, { "source": "CID:44634697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "kitasamycin-GW-1929 similarity", "source_label": "kitasamycin", "target_label": "GW-1929", "cosine_similarity": 0.2001483142375946 } }, { "source": "CID:5702166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "peruvoside-proscillaridin similarity", "source_label": "peruvoside", "target_label": "proscillaridin", "cosine_similarity": 0.3771086633205414 } }, { "source": "CID:9956146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918508", "properties": { "id": "JDTic-BIBX-1382 similarity", "source_label": "JDTic", "target_label": "BIBX-1382", "cosine_similarity": 0.2468134462833404 } }, { "source": "CID:44483281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "GW-4064-myricetin similarity", "source_label": "GW-4064", "target_label": "myricetin", "cosine_similarity": 0.2105745077133178 } }, { "source": "CID:4514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11219835", "properties": { "id": "nizofenone-ataluren similarity", "source_label": "nizofenone", "target_label": "ataluren", "cosine_similarity": 0.3286832869052887 } }, { "source": "CID:54654330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658669", "properties": { "id": "SA-1463814-SA-1456227 similarity", "source_label": "SA-1463814", "target_label": "SA-1456227", "cosine_similarity": 0.2031496465206146 } }, { "source": "CID:44483271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "meclocycline-ST-059620 similarity", "source_label": "meclocycline", "target_label": "ST-059620", "cosine_similarity": 0.2509482204914093 } }, { "source": "CID:148192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73010930", "properties": { "id": "atazanavir-GSK-2801 similarity", "source_label": "atazanavir", "target_label": "GSK-2801", "cosine_similarity": 0.2751490175724029 } }, { "source": "CID:44631078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "KU-C104337-K784-3131 similarity", "source_label": "KU-C104337", "target_label": "K784-3131", "cosine_similarity": 0.7567960619926453 } }, { "source": "CID:27447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "cephalexin-pepstatin similarity", "source_label": "cephalexin", "target_label": "pepstatin", "cosine_similarity": 0.3100525736808777 } }, { "source": "CID:4914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "procaine-methocarbamol similarity", "source_label": "procaine", "target_label": "methocarbamol", "cosine_similarity": 0.3611484467983246 } }, { "source": "CID:3156173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "ST-014366-MW-MITF28 similarity", "source_label": "ST-014366", "target_label": "MW-MITF28", "cosine_similarity": 0.3399473130702972 } }, { "source": "CID:60785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "fananserin-SA-103013 similarity", "source_label": "fananserin", "target_label": "SA-103013", "cosine_similarity": 0.3172608017921448 } }, { "source": "CID:44492693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487334", "properties": { "id": "SA-84869-SA-89705 similarity", "source_label": "SA-84869", "target_label": "SA-89705", "cosine_similarity": 0.2633877694606781 } }, { "source": "CID:99253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SAL-1-gliclazide similarity", "source_label": "SAL-1", "target_label": "gliclazide", "cosine_similarity": 0.3770394623279571 } }, { "source": "CID:4583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "ofloxacin-travoprost similarity", "source_label": "ofloxacin", "target_label": "travoprost", "cosine_similarity": 0.5514223575592041 } }, { "source": "CID:49766538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "MW-RAS9-mirtazapine similarity", "source_label": "MW-RAS9", "target_label": "mirtazapine", "cosine_similarity": 0.2997192442417145 } }, { "source": "CID:3080836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:781301", "properties": { "id": "clonixin-lysinate-ML-133 similarity", "source_label": "clonixin-lysinate", "target_label": "ML-133", "cosine_similarity": 0.1984271258115768 } }, { "source": "CID:37393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "halofantrine-lersivirine similarity", "source_label": "halofantrine", "target_label": "lersivirine", "cosine_similarity": 0.35903000831604 } }, { "source": "CID:5833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "spironolactone-benzbromarone similarity", "source_label": "spironolactone", "target_label": "benzbromarone", "cosine_similarity": 0.2834674715995788 } }, { "source": "CID:53465279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3341", "properties": { "id": "lesinurad-fenoldopam similarity", "source_label": "lesinurad", "target_label": "fenoldopam", "cosine_similarity": 0.3873126208782196 } }, { "source": "CID:443955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "vinpocetine-marbofloxacin similarity", "source_label": "vinpocetine", "target_label": "marbofloxacin", "cosine_similarity": 0.4522177875041961 } }, { "source": "CID:13013971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "depomedrol-methylprednisolone similarity", "source_label": "depomedrol", "target_label": "methylprednisolone", "cosine_similarity": 0.3236666321754455 } }, { "source": "CID:3241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "epinastine-mCPP similarity", "source_label": "epinastine", "target_label": "mCPP", "cosine_similarity": 0.3288174867630005 } }, { "source": "CID:5504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2733768", "properties": { "id": "tolazoline-taurodeoxycholic-acid similarity", "source_label": "tolazoline", "target_label": "taurodeoxycholic-acid", "cosine_similarity": 0.2411119639873504 } }, { "source": "CID:44505239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667511", "properties": { "id": "SA-419021-tramadol similarity", "source_label": "SA-419021", "target_label": "tramadol", "cosine_similarity": 0.2938978970050812 } }, { "source": "CID:253078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "GANT-58-VER-155008 similarity", "source_label": "GANT-58", "target_label": "VER-155008", "cosine_similarity": 0.3318685889244079 } }, { "source": "CID:4485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "nifedipine-BML-259 similarity", "source_label": "nifedipine", "target_label": "BML-259", "cosine_similarity": 0.5911322832107544 } }, { "source": "CID:16759160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "AZ-10417808-LY-255283 similarity", "source_label": "AZ-10417808", "target_label": "LY-255283", "cosine_similarity": 0.2373494654893875 } }, { "source": "CID:5920", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3289", "properties": { "id": "liothyronine-ethoprop similarity", "source_label": "liothyronine", "target_label": "ethoprop", "cosine_similarity": 0.2242049127817154 } }, { "source": "CID:24978538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "navitoclax-AR-C133057XX similarity", "source_label": "navitoclax", "target_label": "AR-C133057XX", "cosine_similarity": 0.5024675726890564 } }, { "source": "CID:9871074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:387447", "properties": { "id": "talmapimod-bortezomib similarity", "source_label": "talmapimod", "target_label": "bortezomib", "cosine_similarity": 0.4664521217346191 } }, { "source": "CID:123600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5359", "properties": { "id": "levalbuterol-suprofen similarity", "source_label": "levalbuterol", "target_label": "suprofen", "cosine_similarity": 0.3004117608070373 } }, { "source": "CID:44490269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487597", "properties": { "id": "SA-102787-SA-440832 similarity", "source_label": "SA-102787", "target_label": "SA-440832", "cosine_similarity": 0.2490473538637161 } }, { "source": "CID:698112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60188101", "properties": { "id": "AEG-3482-RS-I-002-6 similarity", "source_label": "AEG-3482", "target_label": "RS-I-002-6", "cosine_similarity": 0.4105469584465027 } }, { "source": "CID:44623833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607965", "properties": { "id": "KU-C104218-AMZ-30 similarity", "source_label": "KU-C104218", "target_label": "AMZ-30", "cosine_similarity": 0.1687591224908828 } }, { "source": "CID:51371334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "idoxuridin-tibolone similarity", "source_label": "idoxuridin", "target_label": "tibolone", "cosine_similarity": 0.3067381381988525 } }, { "source": "CID:5342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038", "properties": { "id": "sulfinpyrazone-diclofenamide similarity", "source_label": "sulfinpyrazone", "target_label": "diclofenamide", "cosine_similarity": 0.2615357935428619 } }, { "source": "CID:641785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442009", "properties": { "id": "cardamonin-carnosol similarity", "source_label": "cardamonin", "target_label": "carnosol", "cosine_similarity": 0.2978436350822449 } }, { "source": "CID:44484010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-85764-SA-1937536 similarity", "source_label": "SA-85764", "target_label": "SA-1937536", "cosine_similarity": 0.2933182716369629 } }, { "source": "CID:44490224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490257", "properties": { "id": "SA-101841-SA-102607 similarity", "source_label": "SA-101841", "target_label": "SA-102607", "cosine_similarity": 0.372757613658905 } }, { "source": "CID:5469318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3448", "properties": { "id": "salirasib-gaboxadol similarity", "source_label": "salirasib", "target_label": "gaboxadol", "cosine_similarity": 0.3386452198028564 } }, { "source": "CID:3971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11964036", "properties": { "id": "LY-303511-KU-0060648 similarity", "source_label": "LY-303511", "target_label": "KU-0060648", "cosine_similarity": 0.3158645331859588 } }, { "source": "CID:9836739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107935", "properties": { "id": "PNU-74654-deguelin similarity", "source_label": "PNU-74654", "target_label": "deguelin", "cosine_similarity": 0.4411178529262543 } }, { "source": "CID:9941444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "pasireotide-temozolomide similarity", "source_label": "pasireotide", "target_label": "temozolomide", "cosine_similarity": 0.3545613586902618 } }, { "source": "CID:5315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "succinylsulfathiazole-APO-866 similarity", "source_label": "succinylsulfathiazole", "target_label": "APO-866", "cosine_similarity": 0.3274034857749939 } }, { "source": "CID:9543513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "APO-866-carbamazepine similarity", "source_label": "APO-866", "target_label": "carbamazepine", "cosine_similarity": 0.4963581562042236 } }, { "source": "CID:46238422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1797", "properties": { "id": "RAN-27-5-nonyloxytryptamine similarity", "source_label": "RAN-27", "target_label": "5-nonyloxytryptamine", "cosine_similarity": 0.1991951018571853 } }, { "source": "CID:3270699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "rhodomyrtoxin-b-heliomycin similarity", "source_label": "rhodomyrtoxin-b", "target_label": "heliomycin", "cosine_similarity": 0.7461370229721069 } }, { "source": "CID:10117987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "preladenant-cinoxacin similarity", "source_label": "preladenant", "target_label": "cinoxacin", "cosine_similarity": 0.2969511151313782 } }, { "source": "CID:1727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "dalfampridine-alizapride similarity", "source_label": "dalfampridine", "target_label": "alizapride", "cosine_similarity": 0.369386613368988 } }, { "source": "CID:4115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9829523", "properties": { "id": "methoxychlor-midostaurin similarity", "source_label": "methoxychlor", "target_label": "midostaurin", "cosine_similarity": 0.2898431122303009 } }, { "source": "CID:4174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946732", "properties": { "id": "metyrapone-STK-111867 similarity", "source_label": "metyrapone", "target_label": "STK-111867", "cosine_similarity": 0.2681249380111694 } }, { "source": "CID:4165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51360697", "properties": { "id": "meticrane-KUC107191N similarity", "source_label": "meticrane", "target_label": "KUC107191N", "cosine_similarity": 0.2477919161319732 } }, { "source": "CID:25161177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "MLN-2480-alizapride similarity", "source_label": "MLN-2480", "target_label": "alizapride", "cosine_similarity": 0.4266142249107361 } }, { "source": "CID:5283731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4680", "properties": { "id": "calcifediol-papaverine similarity", "source_label": "calcifediol", "target_label": "papaverine", "cosine_similarity": 0.2200619727373123 } }, { "source": "CID:5282367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856224", "properties": { "id": "menatetrenone-FU-JMBII113B similarity", "source_label": "menatetrenone", "target_label": "FU-JMBII113B", "cosine_similarity": 0.1436279863119125 } }, { "source": "CID:73333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "amperozide-niguldipine similarity", "source_label": "amperozide", "target_label": "niguldipine", "cosine_similarity": 0.3310473561286926 } }, { "source": "CID:13927312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "KU-C103443N-bithionol similarity", "source_label": "KU-C103443N", "target_label": "bithionol", "cosine_similarity": 0.3058848977088928 } }, { "source": "CID:44487665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-85377-SA-419090 similarity", "source_label": "SA-85377", "target_label": "SA-419090", "cosine_similarity": 0.3412047028541565 } }, { "source": "CID:53245442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "TUL-XX025TFA-Gossypetin similarity", "source_label": "TUL-XX025TFA", "target_label": "Gossypetin", "cosine_similarity": 0.4345464706420898 } }, { "source": "CID:46173038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843648", "properties": { "id": "K-02288-NPK76-II-72-1 similarity", "source_label": "K-02288", "target_label": "NPK76-II-72-1", "cosine_similarity": 0.2810482978820801 } }, { "source": "CID:73707604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "avicin-g-cercosporin similarity", "source_label": "avicin-g", "target_label": "cercosporin", "cosine_similarity": 0.4433601796627044 } }, { "source": "CID:2762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "cinoxacin-desoxypeganine similarity", "source_label": "cinoxacin", "target_label": "desoxypeganine", "cosine_similarity": 0.4647422730922699 } }, { "source": "CID:127382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "Ro-19-4605-DAC-009 similarity", "source_label": "Ro-19-4605", "target_label": "DAC-009", "cosine_similarity": 0.2520521283149719 } }, { "source": "CID:159269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5095", "properties": { "id": "telbivudine-ropinirole similarity", "source_label": "telbivudine", "target_label": "ropinirole", "cosine_similarity": 0.4653083980083465 } }, { "source": "CID:41684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135409453", "properties": { "id": "nitazoxanide-tegaserod similarity", "source_label": "nitazoxanide", "target_label": "tegaserod", "cosine_similarity": 0.4725230932235718 } }, { "source": "CID:6303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5734", "properties": { "id": "cordycepin-zonisamide similarity", "source_label": "cordycepin", "target_label": "zonisamide", "cosine_similarity": 0.3473757803440094 } }, { "source": "CID:51537051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "LDN-57444-topotecan similarity", "source_label": "LDN-57444", "target_label": "topotecan", "cosine_similarity": 0.2235916256904602 } }, { "source": "CID:16725726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24964624", "properties": { "id": "GSK-690693-MK-2206 similarity", "source_label": "GSK-690693", "target_label": "MK-2206", "cosine_similarity": 0.4505253434181213 } }, { "source": "CID:5282226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "travoprost-grazoprevir similarity", "source_label": "travoprost", "target_label": "grazoprevir", "cosine_similarity": 0.5987271070480347 } }, { "source": "CID:3803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "JLK-6-pifithrin-mu similarity", "source_label": "JLK-6", "target_label": "pifithrin-mu", "cosine_similarity": 0.5497445464134216 } }, { "source": "CID:5419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "tetryzoline-Gossypetin similarity", "source_label": "tetryzoline", "target_label": "Gossypetin", "cosine_similarity": 0.3083687722682953 } }, { "source": "CID:443155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6520352", "properties": { "id": "cinchonidine-K-9944 similarity", "source_label": "cinchonidine", "target_label": "K-9944", "cosine_similarity": 0.1847801804542541 } }, { "source": "CID:512292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657710", "properties": { "id": "iso-olomoucine-SA-1456508 similarity", "source_label": "iso-olomoucine", "target_label": "SA-1456508", "cosine_similarity": 0.2126847952604293 } }, { "source": "CID:41214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "meglitinide-saxagliptin similarity", "source_label": "meglitinide", "target_label": "saxagliptin", "cosine_similarity": 0.4717015027999878 } }, { "source": "CID:54659991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659344", "properties": { "id": "SA-1456576-SA-1457415 similarity", "source_label": "SA-1456576", "target_label": "SA-1457415", "cosine_similarity": 0.2715137600898742 } }, { "source": "CID:46218908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:387447", "properties": { "id": "ONX-0914-bortezomib similarity", "source_label": "ONX-0914", "target_label": "bortezomib", "cosine_similarity": 0.5850030183792114 } }, { "source": "CID:54657706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2442", "properties": { "id": "SA-1459261-bromhexine similarity", "source_label": "SA-1459261", "target_label": "bromhexine", "cosine_similarity": 0.2392225563526153 } }, { "source": "CID:6419833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "angiogenesis-inhibitor-AG-592 similarity", "source_label": "angiogenesis-inhibitor", "target_label": "AG-592", "cosine_similarity": 0.3553442358970642 } }, { "source": "CID:9880620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2130", "properties": { "id": "piroxicam-amantadine similarity", "source_label": "piroxicam", "target_label": "amantadine", "cosine_similarity": 0.3331686556339264 } }, { "source": "CID:9840076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "AG-14361-AZD-5438 similarity", "source_label": "AG-14361", "target_label": "AZD-5438", "cosine_similarity": 0.6862673759460449 } }, { "source": "CID:11964036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "KU-0060648-PI-828 similarity", "source_label": "KU-0060648", "target_label": "PI-828", "cosine_similarity": 0.5330831408500671 } }, { "source": "CID:3085416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "ivermectin-COL-3 similarity", "source_label": "ivermectin", "target_label": "COL-3", "cosine_similarity": 0.5227226614952087 } }, { "source": "CID:4932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "propafenone-mecamylamine similarity", "source_label": "propafenone", "target_label": "mecamylamine", "cosine_similarity": 0.2772606015205383 } }, { "source": "CID:135688221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "AT-CSC-07-azacitidine similarity", "source_label": "AT-CSC-07", "target_label": "azacitidine", "cosine_similarity": 0.2626388669013977 } }, { "source": "CID:3765615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "L-152804-ASN-05257430 similarity", "source_label": "L-152804", "target_label": "ASN-05257430", "cosine_similarity": 0.3630563616752624 } }, { "source": "CID:3305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5278396", "properties": { "id": "etidronic-acid-KU-55933 similarity", "source_label": "etidronic-acid", "target_label": "KU-55933", "cosine_similarity": 0.2205389440059662 } }, { "source": "CID:6024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2075", "properties": { "id": "cephalothin-aklomide similarity", "source_label": "cephalothin", "target_label": "aklomide", "cosine_similarity": 0.6237137913703918 } }, { "source": "CID:1549008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4495", "properties": { "id": "terbinafine-nimesulide similarity", "source_label": "terbinafine", "target_label": "nimesulide", "cosine_similarity": 0.3780547380447387 } }, { "source": "CID:2727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "chlorpropamide-pritelivir similarity", "source_label": "chlorpropamide", "target_label": "pritelivir", "cosine_similarity": 0.4698299467563629 } }, { "source": "CID:1234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16734800", "properties": { "id": "gallopamil-LXR-623 similarity", "source_label": "gallopamil", "target_label": "LXR-623", "cosine_similarity": 0.3015958666801452 } }, { "source": "CID:27400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "pizotifen-promazine similarity", "source_label": "pizotifen", "target_label": "promazine", "cosine_similarity": 0.3270330131053924 } }, { "source": "CID:41781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11689883", "properties": { "id": "torasemide-omecamtiv-mecarbil similarity", "source_label": "torasemide", "target_label": "omecamtiv-mecarbil", "cosine_similarity": 0.4643749892711639 } }, { "source": "CID:73707525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "COL-3-bithionol similarity", "source_label": "COL-3", "target_label": "bithionol", "cosine_similarity": 0.6133649349212646 } }, { "source": "CID:4594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148184", "properties": { "id": "omeprazole-ampalex similarity", "source_label": "omeprazole", "target_label": "ampalex", "cosine_similarity": 0.3058900833129883 } }, { "source": "CID:2153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "theophylline-GNF-2 similarity", "source_label": "theophylline", "target_label": "GNF-2", "cosine_similarity": 0.3246923983097076 } }, { "source": "CID:37542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119031", "properties": { "id": "ribavirin-marimastat similarity", "source_label": "ribavirin", "target_label": "marimastat", "cosine_similarity": 0.2681675255298614 } }, { "source": "CID:5353853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "oxiconazole-tiapride similarity", "source_label": "oxiconazole", "target_label": "tiapride", "cosine_similarity": 0.4682951867580414 } }, { "source": "CID:3718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "indoprofen-etomidate similarity", "source_label": "indoprofen", "target_label": "etomidate", "cosine_similarity": 0.3325071930885315 } }, { "source": "CID:23760135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57364", "properties": { "id": "ungerine-carmoxirole similarity", "source_label": "ungerine", "target_label": "carmoxirole", "cosine_similarity": 0.2310136258602142 } }, { "source": "CID:3899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "leflunomide-deforolimus similarity", "source_label": "leflunomide", "target_label": "deforolimus", "cosine_similarity": 0.3159941434860229 } }, { "source": "CID:5591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "troglitazone-zebularine similarity", "source_label": "troglitazone", "target_label": "zebularine", "cosine_similarity": 0.4044285714626312 } }, { "source": "CID:49867930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "RG-4733-flecainide similarity", "source_label": "RG-4733", "target_label": "flecainide", "cosine_similarity": 0.3649161458015442 } }, { "source": "CID:6918314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "vilazodone-aliskiren similarity", "source_label": "vilazodone", "target_label": "aliskiren", "cosine_similarity": 0.418050467967987 } }, { "source": "CID:3598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287620", "properties": { "id": "hexachlorophene-brefeldin-a similarity", "source_label": "hexachlorophene", "target_label": "brefeldin-a", "cosine_similarity": 0.6332237124443054 } }, { "source": "CID:3276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "etanidazole-FTI-276 similarity", "source_label": "etanidazole", "target_label": "FTI-276", "cosine_similarity": 0.3435592353343963 } }, { "source": "CID:31404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "butylated-hydroxytoluene-hydroxyamphetamine similarity", "source_label": "butylated-hydroxytoluene", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.5517939329147339 } }, { "source": "CID:25262965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "AZD-8055-NVP-BEZ235 similarity", "source_label": "AZD-8055", "target_label": "NVP-BEZ235", "cosine_similarity": 0.9634515047073364 } }, { "source": "CID:5510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "tolnaftate-conivaptan similarity", "source_label": "tolnaftate", "target_label": "conivaptan", "cosine_similarity": 0.468168705701828 } }, { "source": "CID:5280453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288149", "properties": { "id": "calcitriol-seocalcitol similarity", "source_label": "calcitriol", "target_label": "seocalcitol", "cosine_similarity": 0.4476837813854217 } }, { "source": "CID:11626560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "crizotinib-salmeterol similarity", "source_label": "crizotinib", "target_label": "salmeterol", "cosine_similarity": 0.5384432673454285 } }, { "source": "CID:656665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "tropisetron-Gossypetin similarity", "source_label": "tropisetron", "target_label": "Gossypetin", "cosine_similarity": 0.2869756817817688 } }, { "source": "CID:681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "dopamine-loxoprofen similarity", "source_label": "dopamine", "target_label": "loxoprofen", "cosine_similarity": 0.3720685839653015 } }, { "source": "CID:46926574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2817908", "properties": { "id": "MW-A1-18-JFD02227 similarity", "source_label": "MW-A1-18", "target_label": "JFD02227", "cosine_similarity": 0.2530275583267212 } }, { "source": "CID:10302451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "saracatinib-SA-1921456 similarity", "source_label": "saracatinib", "target_label": "SA-1921456", "cosine_similarity": 0.5151016116142273 } }, { "source": "CID:54669335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494000", "properties": { "id": "SA-1919551-SA-243423 similarity", "source_label": "SA-1919551", "target_label": "SA-243423", "cosine_similarity": 0.2580355703830719 } }, { "source": "CID:16747683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "AZD-5438-AG-14361 similarity", "source_label": "AZD-5438", "target_label": "AG-14361", "cosine_similarity": 0.6862673759460449 } }, { "source": "CID:11618368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "tozadenant-estradiol-cypionate similarity", "source_label": "tozadenant", "target_label": "estradiol-cypionate", "cosine_similarity": 0.2273731231689453 } }, { "source": "CID:6708539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "rotenonic-acid-amisulpride similarity", "source_label": "rotenonic-acid", "target_label": "amisulpride", "cosine_similarity": 0.2424904108047485 } }, { "source": "CID:44634697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3883", "properties": { "id": "kitasamycin-lansoprazole similarity", "source_label": "kitasamycin", "target_label": "lansoprazole", "cosine_similarity": 0.240379512310028 } }, { "source": "CID:4381125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "K784-3131-K784-3187 similarity", "source_label": "K784-3131", "target_label": "K784-3187", "cosine_similarity": 0.9026772975921632 } }, { "source": "CID:16129706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "somatostatin-lenalidomide similarity", "source_label": "somatostatin", "target_label": "lenalidomide", "cosine_similarity": 0.2704296112060547 } }, { "source": "CID:159269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "telbivudine-nevirapine similarity", "source_label": "telbivudine", "target_label": "nevirapine", "cosine_similarity": 0.3540030717849731 } }, { "source": "CID:54658969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "SA-1457797-MW-MITF28 similarity", "source_label": "SA-1457797", "target_label": "MW-MITF28", "cosine_similarity": 0.3090735971927643 } }, { "source": "CID:6337614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1978", "properties": { "id": "palonosetron-acebutolol similarity", "source_label": "palonosetron", "target_label": "acebutolol", "cosine_similarity": 0.3909989893436432 } }, { "source": "CID:8609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2973", "properties": { "id": "phenyl-aminosalicylate-deferoxamine-mesylate similarity", "source_label": "phenyl-aminosalicylate", "target_label": "deferoxamine-mesylate", "cosine_similarity": 0.5219748616218567 } }, { "source": "CID:4622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "oxibendazole-vincristine similarity", "source_label": "oxibendazole", "target_label": "vincristine", "cosine_similarity": 0.6126688122749329 } }, { "source": "CID:2995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "desipramine-terfenadine similarity", "source_label": "desipramine", "target_label": "terfenadine", "cosine_similarity": 0.5791890025138855 } }, { "source": "CID:44607587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "KU-C104141-TUL-XX025TFA similarity", "source_label": "KU-C104141", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2813934683799743 } }, { "source": "CID:3765615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "L-152804-NU-1025 similarity", "source_label": "L-152804", "target_label": "NU-1025", "cosine_similarity": 0.313612550497055 } }, { "source": "CID:4246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "monocrotaline-thiazolopyrimidine similarity", "source_label": "monocrotaline", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3452931940555572 } }, { "source": "CID:62034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "lylamine-terfenadine similarity", "source_label": "lylamine", "target_label": "terfenadine", "cosine_similarity": 0.5953964591026306 } }, { "source": "CID:44543525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3816756", "properties": { "id": "KU-C103871-AT-SUMO-1 similarity", "source_label": "KU-C103871", "target_label": "AT-SUMO-1", "cosine_similarity": 0.2216408997774124 } }, { "source": "CID:110634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "vardenafil-berberine similarity", "source_label": "vardenafil", "target_label": "berberine", "cosine_similarity": 0.4248055517673492 } }, { "source": "CID:9855081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "cyclosporin-a-3'-fluorobenzylspiperone similarity", "source_label": "cyclosporin-a", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.6807431578636169 } }, { "source": "CID:65681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6451164", "properties": { "id": "isbufylline-rilpivirine similarity", "source_label": "isbufylline", "target_label": "rilpivirine", "cosine_similarity": 0.290792852640152 } }, { "source": "CID:9782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "betamethasone-methylprednisolone similarity", "source_label": "betamethasone", "target_label": "methylprednisolone", "cosine_similarity": 0.5105887651443481 } }, { "source": "CID:2520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "verapamil-phenothiazine similarity", "source_label": "verapamil", "target_label": "phenothiazine", "cosine_similarity": 0.3968769013881683 } }, { "source": "CID:46943243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "VU-0424182-2-BMS-191011 similarity", "source_label": "VU-0424182-2", "target_label": "BMS-191011", "cosine_similarity": 0.2720789611339569 } }, { "source": "CID:9841834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "istaroxime-dorzolamide similarity", "source_label": "istaroxime", "target_label": "dorzolamide", "cosine_similarity": 0.3867106139659881 } }, { "source": "CID:44497312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "SD-6-035-B3-UNC-1215 similarity", "source_label": "SD-6-035-B3", "target_label": "UNC-1215", "cosine_similarity": 0.2307844907045364 } }, { "source": "CID:54675769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10186367", "properties": { "id": "novobiocin-CT-7758 similarity", "source_label": "novobiocin", "target_label": "CT-7758", "cosine_similarity": 0.3989753425121307 } }, { "source": "CID:54657734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-1459173-SA-1460008 similarity", "source_label": "SA-1459173", "target_label": "SA-1460008", "cosine_similarity": 0.4000081419944763 } }, { "source": "CID:4967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1833", "properties": { "id": "prothionamide-5-methoxytryptamine similarity", "source_label": "prothionamide", "target_label": "5-methoxytryptamine", "cosine_similarity": 0.2858351767063141 } }, { "source": "CID:4284525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9363", "properties": { "id": "GR-135531-etamivan similarity", "source_label": "GR-135531", "target_label": "etamivan", "cosine_similarity": 0.2206376045942306 } }, { "source": "CID:3518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4020", "properties": { "id": "guanethidine-mazindol similarity", "source_label": "guanethidine", "target_label": "mazindol", "cosine_similarity": 0.2481094896793365 } }, { "source": "CID:130881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "olmesartan-medoxomil-pentoxifylline similarity", "source_label": "olmesartan-medoxomil", "target_label": "pentoxifylline", "cosine_similarity": 0.3856437802314758 } }, { "source": "CID:3270699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "rhodomyrtoxin-b-bithionol similarity", "source_label": "rhodomyrtoxin-b", "target_label": "bithionol", "cosine_similarity": 0.6994659900665283 } }, { "source": "CID:6890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "gramine-broxyquinoline similarity", "source_label": "gramine", "target_label": "broxyquinoline", "cosine_similarity": 0.6146453022956848 } }, { "source": "CID:3563638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "L-732138-tolazamide similarity", "source_label": "L-732138", "target_label": "tolazamide", "cosine_similarity": 0.2796503007411957 } }, { "source": "CID:6103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45358132", "properties": { "id": "zoxazolamine-icariin similarity", "source_label": "zoxazolamine", "target_label": "icariin", "cosine_similarity": 0.2300993800163269 } }, { "source": "CID:46851313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5161", "properties": { "id": "ABT-639-sasapyrine similarity", "source_label": "ABT-639", "target_label": "sasapyrine", "cosine_similarity": 0.1576178669929504 } }, { "source": "CID:44462705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "KU-C103654-SA-427543 similarity", "source_label": "KU-C103654", "target_label": "SA-427543", "cosine_similarity": 0.2539930641651153 } }, { "source": "CID:60190539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667998", "properties": { "id": "SA-1939945-SA-1920080 similarity", "source_label": "SA-1939945", "target_label": "SA-1920080", "cosine_similarity": 0.3284239470958709 } }, { "source": "CID:135565082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "talazoparib-gemcitabine similarity", "source_label": "talazoparib", "target_label": "gemcitabine", "cosine_similarity": 0.5425785779953003 } }, { "source": "CID:2148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10932412", "properties": { "id": "aminohippuric-acid-6-nitrodopamine similarity", "source_label": "aminohippuric-acid", "target_label": "6-nitrodopamine", "cosine_similarity": 0.2458956837654113 } }, { "source": "CID:73707546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "garcinol-actarit similarity", "source_label": "garcinol", "target_label": "actarit", "cosine_similarity": 0.4075899720191955 } }, { "source": "CID:54660156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488194", "properties": { "id": "SA-1459854-SA-426029 similarity", "source_label": "SA-1459854", "target_label": "SA-426029", "cosine_similarity": 0.4850567877292633 } }, { "source": "CID:9872740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "L-692585-MM77 similarity", "source_label": "L-692585", "target_label": "MM77", "cosine_similarity": 0.2898809611797333 } }, { "source": "CID:3494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71234", "properties": { "id": "glycopyrrolate-nicaraven similarity", "source_label": "glycopyrrolate", "target_label": "nicaraven", "cosine_similarity": 0.4021412134170532 } }, { "source": "CID:153941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "entecavir-methocarbamol similarity", "source_label": "entecavir", "target_label": "methocarbamol", "cosine_similarity": 0.4526605904102325 } }, { "source": "CID:24861442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "Fluoro-SAHA-HC-toxin similarity", "source_label": "Fluoro-SAHA", "target_label": "HC-toxin", "cosine_similarity": 0.6547533273696899 } }, { "source": "CID:3748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "iproniazid-dienestrol similarity", "source_label": "iproniazid", "target_label": "dienestrol", "cosine_similarity": 0.5394966006278992 } }, { "source": "CID:22245026", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "GR-206-phenothiazine similarity", "source_label": "GR-206", "target_label": "phenothiazine", "cosine_similarity": 0.3311316967010498 } }, { "source": "CID:44507332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "SA-247714-tacedinaline similarity", "source_label": "SA-247714", "target_label": "tacedinaline", "cosine_similarity": 0.5108258128166199 } }, { "source": "CID:11326715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "ostarine-disopyramide similarity", "source_label": "ostarine", "target_label": "disopyramide", "cosine_similarity": 0.6225060224533081 } }, { "source": "CID:4207396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11207937", "properties": { "id": "ST-014147-TMPH similarity", "source_label": "ST-014147", "target_label": "TMPH", "cosine_similarity": 0.2759747505187988 } }, { "source": "CID:44616431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658535", "properties": { "id": "SA-441145-SA-1459975 similarity", "source_label": "SA-441145", "target_label": "SA-1459975", "cosine_similarity": 0.2639049291610718 } }, { "source": "CID:6446335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "BG-FA-0953-MD-049 similarity", "source_label": "BG-FA-0953", "target_label": "MD-049", "cosine_similarity": 0.6911517977714539 } }, { "source": "CID:3926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3356", "properties": { "id": "lidoflazine-flecainide similarity", "source_label": "lidoflazine", "target_label": "flecainide", "cosine_similarity": 0.3560099899768829 } }, { "source": "CID:115355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11617559", "properties": { "id": "nitisinone-GW-2580 similarity", "source_label": "nitisinone", "target_label": "GW-2580", "cosine_similarity": 0.3476150333881378 } }, { "source": "CID:124334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "PIT-6-hydroxytropinone similarity", "source_label": "PIT", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.2539477050304413 } }, { "source": "CID:2335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:139032007", "properties": { "id": "benzethonium-avermectin similarity", "source_label": "benzethonium", "target_label": "avermectin", "cosine_similarity": 0.6231299638748169 } }, { "source": "CID:11683005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "darinaparsin-phenothiazine similarity", "source_label": "darinaparsin", "target_label": "phenothiazine", "cosine_similarity": 0.4515171349048614 } }, { "source": "CID:46224516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "UNC-0638-sertraline similarity", "source_label": "UNC-0638", "target_label": "sertraline", "cosine_similarity": 0.6856680512428284 } }, { "source": "CID:46742353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "VU-0418946-1-VU-0410183-2 similarity", "source_label": "VU-0418946-1", "target_label": "VU-0410183-2", "cosine_similarity": 0.9161846041679382 } }, { "source": "CID:16395057", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "pinitol-SB-239063 similarity", "source_label": "pinitol", "target_label": "SB-239063", "cosine_similarity": 0.3102908134460449 } }, { "source": "CID:2315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "bendroflumethiazide-etomidate similarity", "source_label": "bendroflumethiazide", "target_label": "etomidate", "cosine_similarity": 0.344319999217987 } }, { "source": "CID:21100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946732", "properties": { "id": "metanephrine-STK-111867 similarity", "source_label": "metanephrine", "target_label": "STK-111867", "cosine_similarity": 0.2639150321483612 } }, { "source": "CID:46883536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "avagacestat-methocarbamol similarity", "source_label": "avagacestat", "target_label": "methocarbamol", "cosine_similarity": 0.329842060804367 } }, { "source": "CID:12041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "ethyl-pyruvate-benzbromarone similarity", "source_label": "ethyl-pyruvate", "target_label": "benzbromarone", "cosine_similarity": 0.2392498403787613 } }, { "source": "CID:2747117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:969516", "properties": { "id": "BI-78D3-curcumin similarity", "source_label": "BI-78D3", "target_label": "curcumin", "cosine_similarity": 0.4046092331409454 } }, { "source": "CID:2853753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "CCT-031374-perphenazine similarity", "source_label": "CCT-031374", "target_label": "perphenazine", "cosine_similarity": 0.7551319003105164 } }, { "source": "CID:25147679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994", "properties": { "id": "diarylsulfonesulfonamide-M-344 similarity", "source_label": "diarylsulfonesulfonamide", "target_label": "M-344", "cosine_similarity": 0.3265813291072845 } }, { "source": "CID:16117018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "KU-60019-thioridazine similarity", "source_label": "KU-60019", "target_label": "thioridazine", "cosine_similarity": 0.3589177131652832 } }, { "source": "CID:253078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "GANT-58-FTI-276 similarity", "source_label": "GANT-58", "target_label": "FTI-276", "cosine_similarity": 0.3478184044361114 } }, { "source": "CID:40469923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "O-1918-phenylbutyrate similarity", "source_label": "O-1918", "target_label": "phenylbutyrate", "cosine_similarity": 0.2045416980981826 } }, { "source": "CID:56208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "sarafloxacin-PT-630 similarity", "source_label": "sarafloxacin", "target_label": "PT-630", "cosine_similarity": 0.2159183770418167 } }, { "source": "CID:16759160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "AZ-10417808-gabexate similarity", "source_label": "AZ-10417808", "target_label": "gabexate", "cosine_similarity": 0.2510047554969787 } }, { "source": "CID:11631681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "Ro-3306-pelitinib similarity", "source_label": "Ro-3306", "target_label": "pelitinib", "cosine_similarity": 0.4043913781642914 } }, { "source": "CID:16760391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "VAMA-37-BMS-754807 similarity", "source_label": "VAMA-37", "target_label": "BMS-754807", "cosine_similarity": 0.3318505883216858 } }, { "source": "CID:5320346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "hydrocortisone-dexamethasone similarity", "source_label": "hydrocortisone", "target_label": "dexamethasone", "cosine_similarity": 0.8323075175285339 } }, { "source": "CID:25262792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59239165", "properties": { "id": "AZD-2014-GDC-0349 similarity", "source_label": "AZD-2014", "target_label": "GDC-0349", "cosine_similarity": 0.7680465579032898 } }, { "source": "CID:5329006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56655374", "properties": { "id": "ZM-306416-HG-14-10-04 similarity", "source_label": "ZM-306416", "target_label": "HG-14-10-04", "cosine_similarity": 0.2690951526165008 } }, { "source": "CID:9849616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "SR-147778-SAL-1 similarity", "source_label": "SR-147778", "target_label": "SAL-1", "cosine_similarity": 0.2479559630155563 } }, { "source": "CID:1544274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "EMF-sumo1-4-fumonisin-b1 similarity", "source_label": "EMF-sumo1-4", "target_label": "fumonisin-b1", "cosine_similarity": 0.3601737022399902 } }, { "source": "CID:54654330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-1463814-SA-419010 similarity", "source_label": "SA-1463814", "target_label": "SA-419010", "cosine_similarity": 0.2549014091491699 } }, { "source": "CID:51683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124246", "properties": { "id": "swainsonine-iguratimod similarity", "source_label": "swainsonine", "target_label": "iguratimod", "cosine_similarity": 0.617845356464386 } }, { "source": "CID:15723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9918908", "properties": { "id": "azacyclonol-PD-166793 similarity", "source_label": "azacyclonol", "target_label": "PD-166793", "cosine_similarity": 0.2274865955114364 } }, { "source": "CID:44516953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "PF-05212384-AZD-8055 similarity", "source_label": "PF-05212384", "target_label": "AZD-8055", "cosine_similarity": 0.6528089642524719 } }, { "source": "CID:49843139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497655", "properties": { "id": "SA-433965-SA-102676 similarity", "source_label": "SA-433965", "target_label": "SA-102676", "cosine_similarity": 0.2786991596221924 } }, { "source": "CID:100016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "zebularine-7-nitroindazole similarity", "source_label": "zebularine", "target_label": "7-nitroindazole", "cosine_similarity": 0.5459241271018982 } }, { "source": "CID:4828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "pindolol-pritelivir similarity", "source_label": "pindolol", "target_label": "pritelivir", "cosine_similarity": 0.4643272459506988 } }, { "source": "CID:167683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "leucodin-myriocin similarity", "source_label": "leucodin", "target_label": "myriocin", "cosine_similarity": 0.292231798171997 } }, { "source": "CID:68802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "pirlindole-JNJ-38877605 similarity", "source_label": "pirlindole", "target_label": "JNJ-38877605", "cosine_similarity": 0.2455594092607498 } }, { "source": "CID:22245026", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760034", "properties": { "id": "GR-206-bongkrek-acid similarity", "source_label": "GR-206", "target_label": "bongkrek-acid", "cosine_similarity": 0.3307943046092987 } }, { "source": "CID:9862248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "sobetirome-bemegride similarity", "source_label": "sobetirome", "target_label": "bemegride", "cosine_similarity": 0.3042095005512237 } }, { "source": "CID:3032818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "naproxol-thiotepa similarity", "source_label": "naproxol", "target_label": "thiotepa", "cosine_similarity": 0.2783836424350738 } }, { "source": "CID:3339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "fenofibrate-ML-161 similarity", "source_label": "fenofibrate", "target_label": "ML-161", "cosine_similarity": 0.2638314962387085 } }, { "source": "CID:3767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38521", "properties": { "id": "isoniazid-guanadrel similarity", "source_label": "isoniazid", "target_label": "guanadrel", "cosine_similarity": 0.3553926348686218 } }, { "source": "CID:19675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107930", "properties": { "id": "piperacetazine-ecopipam similarity", "source_label": "piperacetazine", "target_label": "ecopipam", "cosine_similarity": 0.2932868897914886 } }, { "source": "CID:24868309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "CD-1530-tretinoin similarity", "source_label": "CD-1530", "target_label": "tretinoin", "cosine_similarity": 0.4212537705898285 } }, { "source": "CID:446157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "rosuvastatin-fluvoxamine similarity", "source_label": "rosuvastatin", "target_label": "fluvoxamine", "cosine_similarity": 0.3866293430328369 } }, { "source": "CID:135440466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "BMS-536924-BMS-754807 similarity", "source_label": "BMS-536924", "target_label": "BMS-754807", "cosine_similarity": 0.6770862936973572 } }, { "source": "CID:5323714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "furazolidone-dichlorophen similarity", "source_label": "furazolidone", "target_label": "dichlorophen", "cosine_similarity": 0.5557894706726074 } }, { "source": "CID:4029677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "CP-94253-hydrocortisone-acetate similarity", "source_label": "CP-94253", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.3050023913383484 } }, { "source": "CID:46854655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65944", "properties": { "id": "AMG-837-pidotimod similarity", "source_label": "AMG-837", "target_label": "pidotimod", "cosine_similarity": 0.2725778818130493 } }, { "source": "CID:11716890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707546", "properties": { "id": "YM-298198-garcinol similarity", "source_label": "YM-298198", "target_label": "garcinol", "cosine_similarity": 0.2819955945014953 } }, { "source": "CID:134780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "pomalidomide-cinoxacin similarity", "source_label": "pomalidomide", "target_label": "cinoxacin", "cosine_similarity": 0.3662279546260834 } }, { "source": "CID:11631681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "Ro-3306-PD-198306 similarity", "source_label": "Ro-3306", "target_label": "PD-198306", "cosine_similarity": 0.3535841107368469 } }, { "source": "CID:60187611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658535", "properties": { "id": "SA-1939838-SA-1459975 similarity", "source_label": "SA-1939838", "target_label": "SA-1459975", "cosine_similarity": 0.3364166021347046 } }, { "source": "CID:6708703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "deoxyrhapontin-MW-MITF28 similarity", "source_label": "deoxyrhapontin", "target_label": "MW-MITF28", "cosine_similarity": 0.2825689613819122 } }, { "source": "CID:6917960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "KBG-estramustine-phosphate similarity", "source_label": "KBG", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4111470878124237 } }, { "source": "CID:9330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "benactyzine-KU-C104248 similarity", "source_label": "benactyzine", "target_label": "KU-C104248", "cosine_similarity": 0.3961630761623382 } }, { "source": "CID:9810929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "dolastatin-10-CYT-997 similarity", "source_label": "dolastatin-10", "target_label": "CYT-997", "cosine_similarity": 0.8289084434509277 } }, { "source": "CID:60063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "clinafloxacin-felodipine similarity", "source_label": "clinafloxacin", "target_label": "felodipine", "cosine_similarity": 0.3466945290565491 } }, { "source": "CID:11609955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "resminostat-dacinostat similarity", "source_label": "resminostat", "target_label": "dacinostat", "cosine_similarity": 0.7413140535354614 } }, { "source": "CID:9827968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:37393", "properties": { "id": "GSK-256066-halofantrine similarity", "source_label": "GSK-256066", "target_label": "halofantrine", "cosine_similarity": 0.3396447896957397 } }, { "source": "CID:4670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23351218", "properties": { "id": "PACOCF3-radicicol similarity", "source_label": "PACOCF3", "target_label": "radicicol", "cosine_similarity": 0.1602383852005005 } }, { "source": "CID:2019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "actinomycin-d-CGP-60474 similarity", "source_label": "actinomycin-d", "target_label": "CGP-60474", "cosine_similarity": 0.7417140007019043 } }, { "source": "CID:73707442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "YL-61-TUL-XX025TFA similarity", "source_label": "YL-61", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2616508305072784 } }, { "source": "CID:54666570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "SA-1921456-fluvastatin similarity", "source_label": "SA-1921456", "target_label": "fluvastatin", "cosine_similarity": 0.6193568706512451 } }, { "source": "CID:11612883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44182295", "properties": { "id": "PF-573228-refametinib similarity", "source_label": "PF-573228", "target_label": "refametinib", "cosine_similarity": 0.3847260773181915 } }, { "source": "CID:9458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104845", "properties": { "id": "triflusal-alfaxalone similarity", "source_label": "triflusal", "target_label": "alfaxalone", "cosine_similarity": 0.2405787706375122 } }, { "source": "CID:3964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10947895", "properties": { "id": "loxapine-paroxetine similarity", "source_label": "loxapine", "target_label": "paroxetine", "cosine_similarity": 0.4345110058784485 } }, { "source": "CID:6249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "ampicillin-BMS-641988 similarity", "source_label": "ampicillin", "target_label": "BMS-641988", "cosine_similarity": 0.279136061668396 } }, { "source": "CID:3964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "loxapine-dexamethasone similarity", "source_label": "loxapine", "target_label": "dexamethasone", "cosine_similarity": 0.5044824481010437 } }, { "source": "CID:9949641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "NPI-2358-vinorelbine similarity", "source_label": "NPI-2358", "target_label": "vinorelbine", "cosine_similarity": 0.662017285823822 } }, { "source": "CID:2858523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "CHEMBL-374350-obatoclax similarity", "source_label": "CHEMBL-374350", "target_label": "obatoclax", "cosine_similarity": 0.6350820660591125 } }, { "source": "CID:45376076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707548", "properties": { "id": "RN-1-BG-1002 similarity", "source_label": "RN-1", "target_label": "BG-1002", "cosine_similarity": 0.1988329887390136 } }, { "source": "CID:4996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918638", "properties": { "id": "pyroxamide-belinostat similarity", "source_label": "pyroxamide", "target_label": "belinostat", "cosine_similarity": 0.5705031156539917 } }, { "source": "CID:6610300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "dichlorobenzamil-GR-127935 similarity", "source_label": "dichlorobenzamil", "target_label": "GR-127935", "cosine_similarity": 0.661135196685791 } }, { "source": "CID:6041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "phenylephrine-clofibric-acid similarity", "source_label": "phenylephrine", "target_label": "clofibric-acid", "cosine_similarity": 0.354347676038742 } }, { "source": "CID:3546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "HA-1004-phenylbutyrate similarity", "source_label": "HA-1004", "target_label": "phenylbutyrate", "cosine_similarity": 0.3261240124702453 } }, { "source": "CID:54658741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "SA-1459187-TUL_XIX003 similarity", "source_label": "SA-1459187", "target_label": "TUL_XIX003", "cosine_similarity": 0.2659522891044616 } }, { "source": "CID:115368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640177", "properties": { "id": "perospirone-KU-C104491 similarity", "source_label": "perospirone", "target_label": "KU-C104491", "cosine_similarity": 0.2302744388580322 } }, { "source": "CID:44828478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "KUC104547N-RS-39604 similarity", "source_label": "KUC104547N", "target_label": "RS-39604", "cosine_similarity": 0.2331247478723526 } }, { "source": "CID:448042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "Y-27632-fumonisin-b1 similarity", "source_label": "Y-27632", "target_label": "fumonisin-b1", "cosine_similarity": 0.4426463842391968 } }, { "source": "CID:44486991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-424577-SA-89735 similarity", "source_label": "SA-424577", "target_label": "SA-89735", "cosine_similarity": 0.3283392488956451 } }, { "source": "CID:5330286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46191454", "properties": { "id": "palbociclib-PHA-793887 similarity", "source_label": "palbociclib", "target_label": "PHA-793887", "cosine_similarity": 0.5739182233810425 } }, { "source": "CID:73707418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "celastrol-manumycin-a similarity", "source_label": "celastrol", "target_label": "manumycin-a", "cosine_similarity": 0.6140209436416626 } }, { "source": "CID:16760027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18721", "properties": { "id": "BML-259-apigenin similarity", "source_label": "BML-259", "target_label": "apigenin", "cosine_similarity": 0.7644380331039429 } }, { "source": "CID:2082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "albendazole-paclitaxel similarity", "source_label": "albendazole", "target_label": "paclitaxel", "cosine_similarity": 0.648566484451294 } }, { "source": "CID:24821094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918508", "properties": { "id": "ibrutinib-BIBX-1382 similarity", "source_label": "ibrutinib", "target_label": "BIBX-1382", "cosine_similarity": 0.4610790312290191 } }, { "source": "CID:46218908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "ONX-0914-GP-42 similarity", "source_label": "ONX-0914", "target_label": "GP-42", "cosine_similarity": 0.4537208974361419 } }, { "source": "CID:73707441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "YL-60-DAC-004 similarity", "source_label": "YL-60", "target_label": "DAC-004", "cosine_similarity": 0.2742349803447723 } }, { "source": "CID:5330535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "D-64406-SKI-II similarity", "source_label": "D-64406", "target_label": "SKI-II", "cosine_similarity": 0.468549370765686 } }, { "source": "CID:27873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "erythrosine-butylated-hydroxytoluene similarity", "source_label": "erythrosine", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.3652970194816589 } }, { "source": "CID:969472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "eszopiclone-levosulpiride similarity", "source_label": "eszopiclone", "target_label": "levosulpiride", "cosine_similarity": 0.1834878325462341 } }, { "source": "CID:449215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2431", "properties": { "id": "cycloserine-bretylium similarity", "source_label": "cycloserine", "target_label": "bretylium", "cosine_similarity": 0.2441354393959045 } }, { "source": "CID:3059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "diflunisal-orciprenaline similarity", "source_label": "diflunisal", "target_label": "orciprenaline", "cosine_similarity": 0.3527112305164337 } }, { "source": "CID:73214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "eperezolid-vinburnine similarity", "source_label": "eperezolid", "target_label": "vinburnine", "cosine_similarity": 0.4296086430549621 } }, { "source": "CID:449193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "roflumilast-rolipram similarity", "source_label": "roflumilast", "target_label": "rolipram", "cosine_similarity": 0.4306374192237854 } }, { "source": "CID:11488320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "AZD-8931-TAK-733 similarity", "source_label": "AZD-8931", "target_label": "TAK-733", "cosine_similarity": 0.3637019097805023 } }, { "source": "CID:4495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "nimesulide-rutin similarity", "source_label": "nimesulide", "target_label": "rutin", "cosine_similarity": 0.357649952173233 } }, { "source": "CID:47965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "cefadroxil-drofenine similarity", "source_label": "cefadroxil", "target_label": "drofenine", "cosine_similarity": 0.2051479518413543 } }, { "source": "CID:9918908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "PD-166793-bucladesine similarity", "source_label": "PD-166793", "target_label": "bucladesine", "cosine_similarity": 0.3533369898796081 } }, { "source": "CID:405012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42642648", "properties": { "id": "indoximod-ARRY-334543 similarity", "source_label": "indoximod", "target_label": "ARRY-334543", "cosine_similarity": 0.2543761432170868 } }, { "source": "CID:54477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6732844", "properties": { "id": "remoxipride-ST-023431 similarity", "source_label": "remoxipride", "target_label": "ST-023431", "cosine_similarity": 0.2944165170192718 } }, { "source": "CID:5362124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "benazepril-emedastine similarity", "source_label": "benazepril", "target_label": "emedastine", "cosine_similarity": 0.3649662137031555 } }, { "source": "CID:3025961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3324", "properties": { "id": "MPEP-famciclovir similarity", "source_label": "MPEP", "target_label": "famciclovir", "cosine_similarity": 0.215162768959999 } }, { "source": "CID:753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4423767", "properties": { "id": "glycerol-STK-674938 similarity", "source_label": "glycerol", "target_label": "STK-674938", "cosine_similarity": 0.2982135713100433 } }, { "source": "CID:108094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "RX-821002-BMS-191011 similarity", "source_label": "RX-821002", "target_label": "BMS-191011", "cosine_similarity": 0.3120419979095459 } }, { "source": "CID:1923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "oxyquinoline-neratinib similarity", "source_label": "oxyquinoline", "target_label": "neratinib", "cosine_similarity": 0.1886239796876907 } }, { "source": "CID:60186945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1938862-SA-96816 similarity", "source_label": "SA-1938862", "target_label": "SA-96816", "cosine_similarity": 0.2601091563701629 } }, { "source": "CID:3117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "disulfiram-F-1566-0341 similarity", "source_label": "disulfiram", "target_label": "F-1566-0341", "cosine_similarity": 0.5636507272720337 } }, { "source": "CID:4216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "ML-7-SB-216641 similarity", "source_label": "ML-7", "target_label": "SB-216641", "cosine_similarity": 0.318015307188034 } }, { "source": "CID:5281613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "diosmin-felodipine similarity", "source_label": "diosmin", "target_label": "felodipine", "cosine_similarity": 0.2917483747005462 } }, { "source": "CID:761523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "m-3M3FBS-prostaglandin-a1 similarity", "source_label": "m-3M3FBS", "target_label": "prostaglandin-a1", "cosine_similarity": 0.314874917268753 } }, { "source": "CID:3329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708718", "properties": { "id": "faropenem-lupanine similarity", "source_label": "faropenem", "target_label": "lupanine", "cosine_similarity": 0.3354764580726623 } }, { "source": "CID:73707428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11012", "properties": { "id": "carbetocin-gitoxigenin similarity", "source_label": "carbetocin", "target_label": "gitoxigenin", "cosine_similarity": 0.2807070612907409 } }, { "source": "CID:1727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "dalfampridine-actarit similarity", "source_label": "dalfampridine", "target_label": "actarit", "cosine_similarity": 0.3921157121658325 } }, { "source": "CID:5353685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5701996", "properties": { "id": "I-OMe-AG-538-isoreserpine similarity", "source_label": "I-OMe-AG-538", "target_label": "isoreserpine", "cosine_similarity": 0.2336266189813614 } }, { "source": "CID:36811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "dobutamine-resveratrol similarity", "source_label": "dobutamine", "target_label": "resveratrol", "cosine_similarity": 0.2054639309644699 } }, { "source": "CID:4679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2318", "properties": { "id": "pantoprazole-benfluorex similarity", "source_label": "pantoprazole", "target_label": "benfluorex", "cosine_similarity": 0.3693854808807373 } }, { "source": "CID:1604254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6697", "properties": { "id": "RAN-03-benzanthrone similarity", "source_label": "RAN-03", "target_label": "benzanthrone", "cosine_similarity": 0.2307216823101043 } }, { "source": "CID:51003716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "CVF-SUMO-11-EMF-sumo1-11 similarity", "source_label": "CVF-SUMO-11", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.7591046094894409 } }, { "source": "CID:46869940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "VU-0415374-1-ST-022313 similarity", "source_label": "VU-0415374-1", "target_label": "ST-022313", "cosine_similarity": 0.3014161288738251 } }, { "source": "CID:216454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "L-778123-BMS-536924 similarity", "source_label": "L-778123", "target_label": "BMS-536924", "cosine_similarity": 0.3344654440879822 } }, { "source": "CID:3117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "disulfiram-NSC-663284 similarity", "source_label": "disulfiram", "target_label": "NSC-663284", "cosine_similarity": 0.5586617588996887 } }, { "source": "CID:91654625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "BAZ2-ICR-lorcaserin similarity", "source_label": "BAZ2-ICR", "target_label": "lorcaserin", "cosine_similarity": 0.2957265377044678 } }, { "source": "CID:46213929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "LY-2784544-hypericin similarity", "source_label": "LY-2784544", "target_label": "hypericin", "cosine_similarity": 0.3945605456829071 } }, { "source": "CID:92722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "argatroban-methimazole similarity", "source_label": "argatroban", "target_label": "methimazole", "cosine_similarity": 0.3244132995605469 } }, { "source": "CID:11868768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "androsterone-naftidrofuryl similarity", "source_label": "androsterone", "target_label": "naftidrofuryl", "cosine_similarity": 0.1610074490308761 } }, { "source": "CID:4810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657237", "properties": { "id": "moxonidine-fludarabine similarity", "source_label": "moxonidine", "target_label": "fludarabine", "cosine_similarity": 0.3087293803691864 } }, { "source": "CID:122077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72301", "properties": { "id": "SR-27897-rotundine similarity", "source_label": "SR-27897", "target_label": "rotundine", "cosine_similarity": 0.4062056839466095 } }, { "source": "CID:3058754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "deracoxib-THZ-2-98-01 similarity", "source_label": "deracoxib", "target_label": "THZ-2-98-01", "cosine_similarity": 0.2231006920337677 } }, { "source": "CID:5328807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "tyrphostin-51-phenothiazine similarity", "source_label": "tyrphostin-51", "target_label": "phenothiazine", "cosine_similarity": 0.2957014739513397 } }, { "source": "CID:4380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "clorgiline-PD-98059 similarity", "source_label": "clorgiline", "target_label": "PD-98059", "cosine_similarity": 0.1953283995389938 } }, { "source": "CID:6603827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "N20C-balicatib similarity", "source_label": "N20C", "target_label": "balicatib", "cosine_similarity": 0.1872396320104599 } }, { "source": "CID:3341", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53465279", "properties": { "id": "fenoldopam-lesinurad similarity", "source_label": "fenoldopam", "target_label": "lesinurad", "cosine_similarity": 0.3873126208782196 } }, { "source": "CID:65626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4539", "properties": { "id": "dimesna-norfloxacin similarity", "source_label": "dimesna", "target_label": "norfloxacin", "cosine_similarity": 0.396069586277008 } }, { "source": "CID:11556711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "carfilzomib-delanzomib similarity", "source_label": "carfilzomib", "target_label": "delanzomib", "cosine_similarity": 0.5708488821983337 } }, { "source": "CID:444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "bupropion-miglustat similarity", "source_label": "bupropion", "target_label": "miglustat", "cosine_similarity": 0.4320728182792663 } }, { "source": "CID:5092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "rolipram-myriocin similarity", "source_label": "rolipram", "target_label": "myriocin", "cosine_similarity": 0.4837895929813385 } }, { "source": "CID:2803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "clonidine-myricetin similarity", "source_label": "clonidine", "target_label": "myricetin", "cosine_similarity": 0.3677307963371277 } }, { "source": "CID:11417954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "ADL-5859-masitinib similarity", "source_label": "ADL-5859", "target_label": "masitinib", "cosine_similarity": 0.2853348553180694 } }, { "source": "CID:168868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "methyllidocaine-alda-1 similarity", "source_label": "methyllidocaine", "target_label": "alda-1", "cosine_similarity": 0.2489015161991119 } }, { "source": "CID:24747172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "PSH-022-SAL-1 similarity", "source_label": "PSH-022", "target_label": "SAL-1", "cosine_similarity": 0.3297918140888214 } }, { "source": "CID:11644425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "CGP-57380-RAF-265 similarity", "source_label": "CGP-57380", "target_label": "RAF-265", "cosine_similarity": 0.552827000617981 } }, { "source": "CID:3276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657309", "properties": { "id": "etanidazole-ipratropium similarity", "source_label": "etanidazole", "target_label": "ipratropium", "cosine_similarity": 0.3454746901988983 } }, { "source": "CID:9918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "norcyclobenzaprine-thioridazine similarity", "source_label": "norcyclobenzaprine", "target_label": "thioridazine", "cosine_similarity": 0.2807515859603882 } }, { "source": "CID:5287855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "AS-604850-carbamazepine similarity", "source_label": "AS-604850", "target_label": "carbamazepine", "cosine_similarity": 0.2089874893426895 } }, { "source": "CID:1918543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "MW-STK33-2B-TUL-XX023 similarity", "source_label": "MW-STK33-2B", "target_label": "TUL-XX023", "cosine_similarity": 0.5747389197349548 } }, { "source": "CID:44246708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "minocycline-Ro-28-1675 similarity", "source_label": "minocycline", "target_label": "Ro-28-1675", "cosine_similarity": 0.3465113341808319 } }, { "source": "CID:5702063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4938", "properties": { "id": "guanaben-acetate-propentofylline similarity", "source_label": "guanaben-acetate", "target_label": "propentofylline", "cosine_similarity": 0.4183480441570282 } }, { "source": "CID:441724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "delcorine-MW-MITF9 similarity", "source_label": "delcorine", "target_label": "MW-MITF9", "cosine_similarity": 0.267700582742691 } }, { "source": "CID:73707461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2777", "properties": { "id": "flucloxacillin-CL-82198 similarity", "source_label": "flucloxacillin", "target_label": "CL-82198", "cosine_similarity": 0.2674902975559234 } }, { "source": "CID:4624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:681615", "properties": { "id": "oxidopamine-KDM-096 similarity", "source_label": "oxidopamine", "target_label": "KDM-096", "cosine_similarity": 0.2205022126436233 } }, { "source": "CID:454217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10404245", "properties": { "id": "prostratin-macelignan similarity", "source_label": "prostratin", "target_label": "macelignan", "cosine_similarity": 0.3857649564743042 } }, { "source": "CID:5329255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202074", "properties": { "id": "bis-tyrphostin-MRS-1845 similarity", "source_label": "bis-tyrphostin", "target_label": "MRS-1845", "cosine_similarity": 0.3019120693206787 } }, { "source": "CID:54666566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "SA-1922257-topiramate similarity", "source_label": "SA-1922257", "target_label": "topiramate", "cosine_similarity": 0.2661813795566559 } }, { "source": "CID:3671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "ibudilast-felodipine similarity", "source_label": "ibudilast", "target_label": "felodipine", "cosine_similarity": 0.3245773315429687 } }, { "source": "CID:73707600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:414684", "properties": { "id": "APEC-ephedrine similarity", "source_label": "APEC", "target_label": "ephedrine", "cosine_similarity": 0.2441799938678741 } }, { "source": "CID:5042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610243", "properties": { "id": "rebamipide-penitrem-a similarity", "source_label": "rebamipide", "target_label": "penitrem-a", "cosine_similarity": 0.4855648875236511 } }, { "source": "CID:6732844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "ST-023431-meclofenamic-acid similarity", "source_label": "ST-023431", "target_label": "meclofenamic-acid", "cosine_similarity": 0.3717226088047027 } }, { "source": "CID:515709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "phenylalanyltyrosine-hydroxyurea similarity", "source_label": "phenylalanyltyrosine", "target_label": "hydroxyurea", "cosine_similarity": 0.2425569742918014 } }, { "source": "CID:5714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "YS-035-tubocurarine similarity", "source_label": "YS-035", "target_label": "tubocurarine", "cosine_similarity": 0.2206370383501052 } }, { "source": "CID:2244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "aspirin-phenformin similarity", "source_label": "aspirin", "target_label": "phenformin", "cosine_similarity": 0.4577954709529876 } }, { "source": "CID:72172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "ubenimex-aminocaproic-acid similarity", "source_label": "ubenimex", "target_label": "aminocaproic-acid", "cosine_similarity": 0.3295973241329193 } }, { "source": "CID:5273569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "fraxetin-7-nitroindazole similarity", "source_label": "fraxetin", "target_label": "7-nitroindazole", "cosine_similarity": 0.3105893731117248 } }, { "source": "CID:73010922", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "ischemin-lorazepam similarity", "source_label": "ischemin", "target_label": "lorazepam", "cosine_similarity": 0.3912365734577179 } }, { "source": "CID:11207937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "TMPH-SA-89763 similarity", "source_label": "TMPH", "target_label": "SA-89763", "cosine_similarity": 0.3256001472473144 } }, { "source": "CID:11296583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41867", "properties": { "id": "pirarubicin-epirubicin similarity", "source_label": "pirarubicin", "target_label": "epirubicin", "cosine_similarity": 0.6525680422782898 } }, { "source": "CID:24901704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "MGCD-265-SB-683698 similarity", "source_label": "MGCD-265", "target_label": "SB-683698", "cosine_similarity": 0.2800028622150421 } }, { "source": "CID:73707593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865652", "properties": { "id": "JMV-431-IDAM similarity", "source_label": "JMV-431", "target_label": "IDAM", "cosine_similarity": 0.2134493887424469 } }, { "source": "CID:42642645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "foretinib-vandetanib similarity", "source_label": "foretinib", "target_label": "vandetanib", "cosine_similarity": 0.4420656263828277 } }, { "source": "CID:151171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "conivaptan-tolnaftate similarity", "source_label": "conivaptan", "target_label": "tolnaftate", "cosine_similarity": 0.468168705701828 } }, { "source": "CID:124087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "desloratadine-NNC-55-0396 similarity", "source_label": "desloratadine", "target_label": "NNC-55-0396", "cosine_similarity": 0.2922259867191314 } }, { "source": "CID:17142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "teroxirone-emtricitabine similarity", "source_label": "teroxirone", "target_label": "emtricitabine", "cosine_similarity": 0.2798124551773071 } }, { "source": "CID:17755052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "GDC-0941-ZSTK-474 similarity", "source_label": "GDC-0941", "target_label": "ZSTK-474", "cosine_similarity": 0.7150532603263855 } }, { "source": "CID:11256587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9889366", "properties": { "id": "AMD-11070-mibampator similarity", "source_label": "AMD-11070", "target_label": "mibampator", "cosine_similarity": 0.3864412307739258 } }, { "source": "CID:54657735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1457187-SA-96816 similarity", "source_label": "SA-1457187", "target_label": "SA-96816", "cosine_similarity": 0.2023665755987167 } }, { "source": "CID:53001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "dazoxiben-brivanib similarity", "source_label": "dazoxiben", "target_label": "brivanib", "cosine_similarity": 0.3563602864742279 } }, { "source": "CID:27447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "cephalexin-JAS07-006 similarity", "source_label": "cephalexin", "target_label": "JAS07-006", "cosine_similarity": 0.2657745778560638 } }, { "source": "CID:101533602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5770", "properties": { "id": "merbromin-reserpine similarity", "source_label": "merbromin", "target_label": "reserpine", "cosine_similarity": 0.1546380072832107 } }, { "source": "CID:16758175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6572379", "properties": { "id": "acivicin-PSH-013 similarity", "source_label": "acivicin", "target_label": "PSH-013", "cosine_similarity": 0.3323960304260254 } }, { "source": "CID:679758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "ST-209453-MW-STK33-100 similarity", "source_label": "ST-209453", "target_label": "MW-STK33-100", "cosine_similarity": 0.3117150366306305 } }, { "source": "CID:4814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10182969", "properties": { "id": "picotamide-apixaban similarity", "source_label": "picotamide", "target_label": "apixaban", "cosine_similarity": 0.4357951581478119 } }, { "source": "CID:34312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "oxcarbazepine-DAC-003 similarity", "source_label": "oxcarbazepine", "target_label": "DAC-003", "cosine_similarity": 0.2972604930400848 } }, { "source": "CID:12492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "clopamide-sulfanitran similarity", "source_label": "clopamide", "target_label": "sulfanitran", "cosine_similarity": 0.2399757355451584 } }, { "source": "CID:2790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40839", "properties": { "id": "clobenpropit-vindesine similarity", "source_label": "clobenpropit", "target_label": "vindesine", "cosine_similarity": 0.321755975484848 } }, { "source": "CID:60187506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10377751", "properties": { "id": "SA-1937516-AS-605240 similarity", "source_label": "SA-1937516", "target_label": "AS-605240", "cosine_similarity": 0.2605308294296264 } }, { "source": "CID:1013376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71354", "properties": { "id": "tenovins-bindarit similarity", "source_label": "tenovins", "target_label": "bindarit", "cosine_similarity": 0.2655513286590576 } }, { "source": "CID:64715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "mevastatin-fluvastatin similarity", "source_label": "mevastatin", "target_label": "fluvastatin", "cosine_similarity": 0.5136738419532776 } }, { "source": "CID:115193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "isofloxythepin-taranabant similarity", "source_label": "isofloxythepin", "target_label": "taranabant", "cosine_similarity": 0.4387089312076568 } }, { "source": "CID:24861442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "Fluoro-SAHA-vorinostat similarity", "source_label": "Fluoro-SAHA", "target_label": "vorinostat", "cosine_similarity": 0.6558404564857483 } }, { "source": "CID:45281798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "VU-0365118-1-mebendazole similarity", "source_label": "VU-0365118-1", "target_label": "mebendazole", "cosine_similarity": 0.3615619540214538 } }, { "source": "CID:10446295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "JNJ-10191584-selinidin similarity", "source_label": "JNJ-10191584", "target_label": "selinidin", "cosine_similarity": 0.3352606892585754 } }, { "source": "CID:4847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12478", "properties": { "id": "pirenperone-trimetozine similarity", "source_label": "pirenperone", "target_label": "trimetozine", "cosine_similarity": 0.2679053544998169 } }, { "source": "CID:5311454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "stiripentol-saxagliptin similarity", "source_label": "stiripentol", "target_label": "saxagliptin", "cosine_similarity": 0.2220469266176223 } }, { "source": "CID:11552757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "LY-2365109-rolipram similarity", "source_label": "LY-2365109", "target_label": "rolipram", "cosine_similarity": 0.4456417858600616 } }, { "source": "CID:44483932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-423862-SA-89763 similarity", "source_label": "SA-423862", "target_label": "SA-89763", "cosine_similarity": 0.4249820113182068 } }, { "source": "CID:73707390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "ON-01910-parbendazole similarity", "source_label": "ON-01910", "target_label": "parbendazole", "cosine_similarity": 0.5366060137748718 } }, { "source": "CID:72199292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16654980", "properties": { "id": "ETP-46464-buparlisib similarity", "source_label": "ETP-46464", "target_label": "buparlisib", "cosine_similarity": 0.4671300947666168 } }, { "source": "CID:3547", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "fasudil-Y-27632 similarity", "source_label": "fasudil", "target_label": "Y-27632", "cosine_similarity": 0.4218524992465973 } }, { "source": "CID:3035746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "iodophenpropit-BIBU-1361 similarity", "source_label": "iodophenpropit", "target_label": "BIBU-1361", "cosine_similarity": 0.4869721233844757 } }, { "source": "CID:46238422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1505783", "properties": { "id": "RAN-27-STK-661558 similarity", "source_label": "RAN-27", "target_label": "STK-661558", "cosine_similarity": 0.1902102977037429 } }, { "source": "CID:72430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4029677", "properties": { "id": "MDL-28170-CP-94253 similarity", "source_label": "MDL-28170", "target_label": "CP-94253", "cosine_similarity": 0.3363488018512726 } }, { "source": "CID:135398506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "SB-590885-imatinib similarity", "source_label": "SB-590885", "target_label": "imatinib", "cosine_similarity": 0.4472560882568359 } }, { "source": "CID:5286565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "ST-4029573-withaferin-a similarity", "source_label": "ST-4029573", "target_label": "withaferin-a", "cosine_similarity": 0.5454254150390625 } }, { "source": "CID:1776583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "JAS07-006-KU-C104248 similarity", "source_label": "JAS07-006", "target_label": "KU-C104248", "cosine_similarity": 0.6054239869117737 } }, { "source": "CID:59174488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50905713", "properties": { "id": "AVL-292-IPI-145 similarity", "source_label": "AVL-292", "target_label": "IPI-145", "cosine_similarity": 0.4417993426322937 } }, { "source": "CID:3955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "loperamide-trifluoperazine similarity", "source_label": "loperamide", "target_label": "trifluoperazine", "cosine_similarity": 0.5030514001846313 } }, { "source": "CID:6613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "pantothenic-acid-lasalocid similarity", "source_label": "pantothenic-acid", "target_label": "lasalocid", "cosine_similarity": 0.1590108275413513 } }, { "source": "CID:2477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "buspirone-tipiracil similarity", "source_label": "buspirone", "target_label": "tipiracil", "cosine_similarity": 0.2544487714767456 } }, { "source": "CID:3563638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312145", "properties": { "id": "L-732138-Ro-04-6790 similarity", "source_label": "L-732138", "target_label": "Ro-04-6790", "cosine_similarity": 0.2791601717472076 } }, { "source": "CID:68802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "pirlindole-KIN001-269 similarity", "source_label": "pirlindole", "target_label": "KIN001-269", "cosine_similarity": 0.2575556933879852 } }, { "source": "CID:49849932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "DM-163-phenothiazine similarity", "source_label": "DM-163", "target_label": "phenothiazine", "cosine_similarity": 0.2885468006134033 } }, { "source": "CID:2132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "ambroxol-pyrazinoylguanidine similarity", "source_label": "ambroxol", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.3971413969993591 } }, { "source": "CID:4417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "naftidrofuryl-phenylbutyrate similarity", "source_label": "naftidrofuryl", "target_label": "phenylbutyrate", "cosine_similarity": 0.4918825924396515 } }, { "source": "CID:4500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "nisoxetine-VX-222 similarity", "source_label": "nisoxetine", "target_label": "VX-222", "cosine_similarity": 0.3342046439647674 } }, { "source": "CID:46213929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "LY-2784544-latanoprost similarity", "source_label": "LY-2784544", "target_label": "latanoprost", "cosine_similarity": 0.3814306259155273 } }, { "source": "CID:2203170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707378", "properties": { "id": "EMF-sumo1-2-triacsin-c similarity", "source_label": "EMF-sumo1-2", "target_label": "triacsin-c", "cosine_similarity": 0.3649054169654846 } }, { "source": "CID:4919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "procyclidine-rhapontin similarity", "source_label": "procyclidine", "target_label": "rhapontin", "cosine_similarity": 0.2019442170858383 } }, { "source": "CID:9808844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "telatinib-lamotrigine similarity", "source_label": "telatinib", "target_label": "lamotrigine", "cosine_similarity": 0.2963376045227051 } }, { "source": "CID:44112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1176", "properties": { "id": "bopindolol-urea similarity", "source_label": "bopindolol", "target_label": "urea", "cosine_similarity": 0.358981728553772 } }, { "source": "CID:25154867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107935", "properties": { "id": "PF-3845-deguelin similarity", "source_label": "PF-3845", "target_label": "deguelin", "cosine_similarity": 0.4131942689418793 } }, { "source": "CID:2735313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918456", "properties": { "id": "A-7-prasugrel similarity", "source_label": "A-7", "target_label": "prasugrel", "cosine_similarity": 0.2917764186859131 } }, { "source": "CID:5287855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167683", "properties": { "id": "AS-604850-leucodin similarity", "source_label": "AS-604850", "target_label": "leucodin", "cosine_similarity": 0.2354750484228134 } }, { "source": "CID:5163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71781", "properties": { "id": "SB-206553-MDL-11939 similarity", "source_label": "SB-206553", "target_label": "MDL-11939", "cosine_similarity": 0.3437583446502685 } }, { "source": "CID:5468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3676", "properties": { "id": "tiaprofenic-acid-lidocaine similarity", "source_label": "tiaprofenic-acid", "target_label": "lidocaine", "cosine_similarity": 0.2456425726413726 } }, { "source": "CID:3038495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "BP-897-VER-155008 similarity", "source_label": "BP-897", "target_label": "VER-155008", "cosine_similarity": 0.2234887182712555 } }, { "source": "CID:24747194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "PSH-028-leu-enkephalin similarity", "source_label": "PSH-028", "target_label": "leu-enkephalin", "cosine_similarity": 0.4085226655006408 } }, { "source": "CID:24747169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "PSH-024-PSH-010 similarity", "source_label": "PSH-024", "target_label": "PSH-010", "cosine_similarity": 0.3063560724258423 } }, { "source": "CID:5488548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "alvimopan-PF-03084014 similarity", "source_label": "alvimopan", "target_label": "PF-03084014", "cosine_similarity": 0.4503678381443023 } }, { "source": "CID:3478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "glipizide-CV-1808 similarity", "source_label": "glipizide", "target_label": "CV-1808", "cosine_similarity": 0.4146592617034912 } }, { "source": "CID:3494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "glycopyrrolate-saxagliptin similarity", "source_label": "glycopyrrolate", "target_label": "saxagliptin", "cosine_similarity": 0.4715788960456848 } }, { "source": "CID:12478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9681", "properties": { "id": "trimetozine-methysergide similarity", "source_label": "trimetozine", "target_label": "methysergide", "cosine_similarity": 0.2497831732034683 } }, { "source": "CID:73707350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42618298", "properties": { "id": "BG-1029-BG-1030 similarity", "source_label": "BG-1029", "target_label": "BG-1030", "cosine_similarity": 0.5901116728782654 } }, { "source": "CID:659031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "EMF-sumo1-11-BCI-hydrochloride similarity", "source_label": "EMF-sumo1-11", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.7611978650093079 } }, { "source": "CID:6732844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "ST-023431-idelalisib similarity", "source_label": "ST-023431", "target_label": "idelalisib", "cosine_similarity": 0.3631391525268554 } }, { "source": "CID:5245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3758", "properties": { "id": "risedronate-IBMX similarity", "source_label": "risedronate", "target_label": "IBMX", "cosine_similarity": 0.2097390741109848 } }, { "source": "CID:44369694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "BNTX-F-1566-0341 similarity", "source_label": "BNTX", "target_label": "F-1566-0341", "cosine_similarity": 0.7223647236824036 } }, { "source": "CID:4306515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125564", "properties": { "id": "SC-560-blonanserin similarity", "source_label": "SC-560", "target_label": "blonanserin", "cosine_similarity": 0.2365487664937973 } }, { "source": "CID:54657757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44241483", "properties": { "id": "SA-1459008-VU-0403126 similarity", "source_label": "SA-1459008", "target_label": "VU-0403126", "cosine_similarity": 0.191628560423851 } }, { "source": "CID:3948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71777", "properties": { "id": "lomefloxacin-lufenuron similarity", "source_label": "lomefloxacin", "target_label": "lufenuron", "cosine_similarity": 0.3355093598365783 } }, { "source": "CID:70680399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "MW-SHH-54-marbofloxacin similarity", "source_label": "MW-SHH-54", "target_label": "marbofloxacin", "cosine_similarity": 0.3364242613315582 } }, { "source": "CID:129010004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433118", "properties": { "id": "tebipenem-lirimilast similarity", "source_label": "tebipenem", "target_label": "lirimilast", "cosine_similarity": 0.3810621500015259 } }, { "source": "CID:64715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "mevastatin-simvastatin similarity", "source_label": "mevastatin", "target_label": "simvastatin", "cosine_similarity": 0.4563017189502716 } }, { "source": "CID:9893887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "L-368899-simvastatin similarity", "source_label": "L-368899", "target_label": "simvastatin", "cosine_similarity": 0.3080581128597259 } }, { "source": "CID:2252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "ATPA-diazoxide similarity", "source_label": "ATPA", "target_label": "diazoxide", "cosine_similarity": 0.2288302034139633 } }, { "source": "CID:5282451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "pitavastatin-fluvastatin similarity", "source_label": "pitavastatin", "target_label": "fluvastatin", "cosine_similarity": 0.5453522801399231 } }, { "source": "CID:5656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "venlafaxine-D-serine similarity", "source_label": "venlafaxine", "target_label": "D-serine", "cosine_similarity": 0.38179412484169 } }, { "source": "CID:214347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3002120", "properties": { "id": "dapivirine-sulbutiamine similarity", "source_label": "dapivirine", "target_label": "sulbutiamine", "cosine_similarity": 0.5186131596565247 } }, { "source": "CID:5944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "cantharidin-thiazolopyrimidine similarity", "source_label": "cantharidin", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2538191378116607 } }, { "source": "CID:6726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4091", "properties": { "id": "cyclizine-metformin similarity", "source_label": "cyclizine", "target_label": "metformin", "cosine_similarity": 0.4975118935108185 } }, { "source": "CID:54654428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186945", "properties": { "id": "SA-1472623-SA-1938862 similarity", "source_label": "SA-1472623", "target_label": "SA-1938862", "cosine_similarity": 0.2337545454502105 } }, { "source": "CID:2732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637568", "properties": { "id": "chlortalidone-dimethyl-fumarate similarity", "source_label": "chlortalidone", "target_label": "dimethyl-fumarate", "cosine_similarity": 0.3658727705478668 } }, { "source": "CID:3335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "fenbufen-pemetrexed similarity", "source_label": "fenbufen", "target_label": "pemetrexed", "cosine_similarity": 0.2968029081821441 } }, { "source": "CID:5475158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926574", "properties": { "id": "cinanserin-MW-A1-18 similarity", "source_label": "cinanserin", "target_label": "MW-A1-18", "cosine_similarity": 0.2510958909988403 } }, { "source": "CID:50904129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "ARG-CSC2-40-zebularine similarity", "source_label": "ARG-CSC2-40", "target_label": "zebularine", "cosine_similarity": 0.1975353509187698 } }, { "source": "CID:60185177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "SA-1925246-SA-423131 similarity", "source_label": "SA-1925246", "target_label": "SA-423131", "cosine_similarity": 0.3167301416397095 } }, { "source": "CID:5356121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "flavokavain-b-AG-957 similarity", "source_label": "flavokavain-b", "target_label": "AG-957", "cosine_similarity": 0.5295592546463013 } }, { "source": "CID:3185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "E-4031-L-ergothioneine similarity", "source_label": "E-4031", "target_label": "L-ergothioneine", "cosine_similarity": 0.3625976145267486 } }, { "source": "CID:5244802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "BRL-52537-naloxone similarity", "source_label": "BRL-52537", "target_label": "naloxone", "cosine_similarity": 0.2676902711391449 } }, { "source": "CID:6440033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "temsirolimus-deforolimus similarity", "source_label": "temsirolimus", "target_label": "deforolimus", "cosine_similarity": 0.8525611758232117 } }, { "source": "CID:15951529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "enzalutamide-fluoropyruvate similarity", "source_label": "enzalutamide", "target_label": "fluoropyruvate", "cosine_similarity": 0.5610755085945129 } }, { "source": "CID:53302361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "HG-6-64-01-vemurafenib similarity", "source_label": "HG-6-64-01", "target_label": "vemurafenib", "cosine_similarity": 0.5984825491905212 } }, { "source": "CID:12810432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11201035", "properties": { "id": "cefotiam-PHTPP similarity", "source_label": "cefotiam", "target_label": "PHTPP", "cosine_similarity": 0.276000440120697 } }, { "source": "CID:59768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "esmolol-cholic-acid similarity", "source_label": "esmolol", "target_label": "cholic-acid", "cosine_similarity": 0.4384050071239471 } }, { "source": "CID:44618017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "SA-427137-CGK-733 similarity", "source_label": "SA-427137", "target_label": "CGK-733", "cosine_similarity": 0.2151386439800262 } }, { "source": "CID:44483339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "BVT-948-tyrphostin-A9 similarity", "source_label": "BVT-948", "target_label": "tyrphostin-A9", "cosine_similarity": 0.5471771955490112 } }, { "source": "CID:3002119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1534", "properties": { "id": "fursultiamine-aminomethyltransferase similarity", "source_label": "fursultiamine", "target_label": "aminomethyltransferase", "cosine_similarity": 0.2696451246738434 } }, { "source": "CID:44219749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "WYE-354-NVP-BEZ235 similarity", "source_label": "WYE-354", "target_label": "NVP-BEZ235", "cosine_similarity": 0.829397439956665 } }, { "source": "CID:5281855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "ellagic-acid-amisulpride similarity", "source_label": "ellagic-acid", "target_label": "amisulpride", "cosine_similarity": 0.4328819513320923 } }, { "source": "CID:119032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "NO-ASA-NSC-632839 similarity", "source_label": "NO-ASA", "target_label": "NSC-632839", "cosine_similarity": 0.5593551993370056 } }, { "source": "CID:4608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91588", "properties": { "id": "micropenin-salsolinol similarity", "source_label": "micropenin", "target_label": "salsolinol", "cosine_similarity": 0.2665434777736664 } }, { "source": "CID:5163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "SB-206553-pepstatin similarity", "source_label": "SB-206553", "target_label": "pepstatin", "cosine_similarity": 0.3165194988250732 } }, { "source": "CID:53484654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "tetrahydrobiopterin-darinaparsin similarity", "source_label": "tetrahydrobiopterin", "target_label": "darinaparsin", "cosine_similarity": 0.2412000298500061 } }, { "source": "CID:4630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "oxotremorine-sesquifumarate-gemfibrozil similarity", "source_label": "oxotremorine-sesquifumarate", "target_label": "gemfibrozil", "cosine_similarity": 0.2419693320989608 } }, { "source": "CID:6305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "tryptophan-MDL-28170 similarity", "source_label": "tryptophan", "target_label": "MDL-28170", "cosine_similarity": 0.2696318328380584 } }, { "source": "CID:5146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "salicyl-alcohol-flumethasone-pivalate similarity", "source_label": "salicyl-alcohol", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.4895786046981811 } }, { "source": "CID:44491382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SA-97343-SA-1458689 similarity", "source_label": "SA-97343", "target_label": "SA-1458689", "cosine_similarity": 0.2050446718931198 } }, { "source": "CID:409805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "NSC-23766-JZL-184 similarity", "source_label": "NSC-23766", "target_label": "JZL-184", "cosine_similarity": 0.5000314116477966 } }, { "source": "CID:44543525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483164", "properties": { "id": "KU-C103871-KU-C103853 similarity", "source_label": "KU-C103871", "target_label": "KU-C103853", "cosine_similarity": 0.2059763520956039 } }, { "source": "CID:2878746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "STK-064652-RG-108 similarity", "source_label": "STK-064652", "target_label": "RG-108", "cosine_similarity": 0.3419909179210663 } }, { "source": "CID:5280961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "genistein-SN-38 similarity", "source_label": "genistein", "target_label": "SN-38", "cosine_similarity": 0.4091064035892486 } }, { "source": "CID:119376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "GR-113808-pinacidil similarity", "source_label": "GR-113808", "target_label": "pinacidil", "cosine_similarity": 0.4228107631206512 } }, { "source": "CID:151118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "CPI-1189-grazoprevir similarity", "source_label": "CPI-1189", "target_label": "grazoprevir", "cosine_similarity": 0.4629046618938446 } }, { "source": "CID:6851740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "ispinesib-RS-17053 similarity", "source_label": "ispinesib", "target_label": "RS-17053", "cosine_similarity": 0.6684485077857971 } }, { "source": "CID:3899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17755052", "properties": { "id": "leflunomide-GDC-0941 similarity", "source_label": "leflunomide", "target_label": "GDC-0941", "cosine_similarity": 0.3133707046508789 } }, { "source": "CID:4673190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "ganglioside-BMS-191011 similarity", "source_label": "ganglioside", "target_label": "BMS-191011", "cosine_similarity": 0.334471583366394 } }, { "source": "CID:73707409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "vinorelbine-vinblastine similarity", "source_label": "vinorelbine", "target_label": "vinblastine", "cosine_similarity": 0.7452133297920227 } }, { "source": "CID:4701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006121", "properties": { "id": "PD-123319-lacitol similarity", "source_label": "PD-123319", "target_label": "lacitol", "cosine_similarity": 0.274573802947998 } }, { "source": "CID:5311128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3672", "properties": { "id": "goserelin-acetate-ibuprofen similarity", "source_label": "goserelin-acetate", "target_label": "ibuprofen", "cosine_similarity": 0.2935858368873596 } }, { "source": "CID:6337614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60937", "properties": { "id": "palonosetron-tiludronate similarity", "source_label": "palonosetron", "target_label": "tiludronate", "cosine_similarity": 0.3178866803646087 } }, { "source": "CID:44630539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "KU-C104256-SA-1459167 similarity", "source_label": "KU-C104256", "target_label": "SA-1459167", "cosine_similarity": 0.2593965530395508 } }, { "source": "CID:5614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "tyrphostin-A9-niclosamide similarity", "source_label": "tyrphostin-A9", "target_label": "niclosamide", "cosine_similarity": 0.7218278050422668 } }, { "source": "CID:447713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "fexaramine-RK-682 similarity", "source_label": "fexaramine", "target_label": "RK-682", "cosine_similarity": 0.2262262552976608 } }, { "source": "CID:3854666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "SB-225002-chelidonine similarity", "source_label": "SB-225002", "target_label": "chelidonine", "cosine_similarity": 0.7115268111228943 } }, { "source": "CID:755673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "MW-STK33-4C-SA-419010 similarity", "source_label": "MW-STK33-4C", "target_label": "SA-419010", "cosine_similarity": 0.3842141032218933 } }, { "source": "CID:2214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7427", "properties": { "id": "apocynin-trehalose similarity", "source_label": "apocynin", "target_label": "trehalose", "cosine_similarity": 0.6358270049095154 } }, { "source": "CID:1550607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4970", "properties": { "id": "auraptene-protopine similarity", "source_label": "auraptene", "target_label": "protopine", "cosine_similarity": 0.2204882502555847 } }, { "source": "CID:73010930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:90241673", "properties": { "id": "GSK-2801-EPZ-015666 similarity", "source_label": "GSK-2801", "target_label": "EPZ-015666", "cosine_similarity": 0.2829219996929168 } }, { "source": "CID:9543540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "BML-210-BG-1024 similarity", "source_label": "BML-210", "target_label": "BG-1024", "cosine_similarity": 0.6571508049964905 } }, { "source": "CID:444795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "tretinoin-alitretinoin similarity", "source_label": "tretinoin", "target_label": "alitretinoin", "cosine_similarity": 0.5281636714935303 } }, { "source": "CID:54677407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "robustic-acid-fillalbin similarity", "source_label": "robustic-acid", "target_label": "fillalbin", "cosine_similarity": 0.3198250830173492 } }, { "source": "CID:4201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "minoxidil-levosulpiride similarity", "source_label": "minoxidil", "target_label": "levosulpiride", "cosine_similarity": 0.3867092132568359 } }, { "source": "CID:2713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "chlorhexidine-RJC-00245SC similarity", "source_label": "chlorhexidine", "target_label": "RJC-00245SC", "cosine_similarity": 0.4536855220794678 } }, { "source": "CID:5568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16362", "properties": { "id": "triflupromazine-pimozide similarity", "source_label": "triflupromazine", "target_label": "pimozide", "cosine_similarity": 0.3731620907783508 } }, { "source": "CID:69923936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914946", "properties": { "id": "JW-7-24-1-GSK-2126458 similarity", "source_label": "JW-7-24-1", "target_label": "GSK-2126458", "cosine_similarity": 0.4406281113624573 } }, { "source": "CID:54618085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-424068-SA-103013 similarity", "source_label": "SA-424068", "target_label": "SA-103013", "cosine_similarity": 0.2684832215309143 } }, { "source": "CID:5311309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "nateglinide-dipyridamole similarity", "source_label": "nateglinide", "target_label": "dipyridamole", "cosine_similarity": 0.4917917847633362 } }, { "source": "CID:44623837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "KU-C104223-SA-1457188 similarity", "source_label": "KU-C104223", "target_label": "SA-1457188", "cosine_similarity": 0.241653561592102 } }, { "source": "CID:15541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "spectinomycin-evoxine similarity", "source_label": "spectinomycin", "target_label": "evoxine", "cosine_similarity": 0.2855482399463653 } }, { "source": "CID:5816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "epinephrine-doramapimod similarity", "source_label": "epinephrine", "target_label": "doramapimod", "cosine_similarity": 0.2947556972503662 } }, { "source": "CID:13927310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5332", "properties": { "id": "KUC103423N-sulfamonomethoxine similarity", "source_label": "KUC103423N", "target_label": "sulfamonomethoxine", "cosine_similarity": 0.2312689423561096 } }, { "source": "CID:54667389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-1919345-SA-1921816 similarity", "source_label": "SA-1919345", "target_label": "SA-1921816", "cosine_similarity": 0.3739427626132965 } }, { "source": "CID:44187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "cefoperazone-gemifloxacin similarity", "source_label": "cefoperazone", "target_label": "gemifloxacin", "cosine_similarity": 0.3821213245391845 } }, { "source": "CID:24747231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "JAS07-009-MW-MITF28 similarity", "source_label": "JAS07-009", "target_label": "MW-MITF28", "cosine_similarity": 0.2132164537906646 } }, { "source": "CID:36811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "dobutamine-CV-1808 similarity", "source_label": "dobutamine", "target_label": "CV-1808", "cosine_similarity": 0.1915263384580612 } }, { "source": "CID:44187362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "AS-703026-TAK-733 similarity", "source_label": "AS-703026", "target_label": "TAK-733", "cosine_similarity": 0.7576003074645996 } }, { "source": "CID:5337366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "SA-25547-EMF-bca1-16 similarity", "source_label": "SA-25547", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7357891201972961 } }, { "source": "CID:3472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "gimeracil-granisetron similarity", "source_label": "gimeracil", "target_label": "granisetron", "cosine_similarity": 0.5720818638801575 } }, { "source": "CID:1986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "acetazolamide-swainsonine similarity", "source_label": "acetazolamide", "target_label": "swainsonine", "cosine_similarity": 0.4336801469326019 } }, { "source": "CID:10160238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "tasisulam-acetazolamide similarity", "source_label": "tasisulam", "target_label": "acetazolamide", "cosine_similarity": 0.3659895658493042 } }, { "source": "CID:10410310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "tetracycline-RAF-265 similarity", "source_label": "tetracycline", "target_label": "RAF-265", "cosine_similarity": 0.5821407437324524 } }, { "source": "CID:49806720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "alectinib-marbofloxacin similarity", "source_label": "alectinib", "target_label": "marbofloxacin", "cosine_similarity": 0.3133144974708557 } }, { "source": "CID:6610313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931004", "properties": { "id": "ryanodine-danoprevir similarity", "source_label": "ryanodine", "target_label": "danoprevir", "cosine_similarity": 0.2880960404872894 } }, { "source": "CID:124172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:686211", "properties": { "id": "SC-9-KU-C104126N similarity", "source_label": "SC-9", "target_label": "KU-C104126N", "cosine_similarity": 0.2834061980247497 } }, { "source": "CID:1130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "thiamine-methyl-fasudil similarity", "source_label": "thiamine", "target_label": "methyl-fasudil", "cosine_similarity": 0.2246689647436142 } }, { "source": "CID:6918509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129360", "properties": { "id": "BIBN-4096-L-670596 similarity", "source_label": "BIBN-4096", "target_label": "L-670596", "cosine_similarity": 0.2765063047409057 } }, { "source": "CID:656717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "IAA-94-fluoropyruvate similarity", "source_label": "IAA-94", "target_label": "fluoropyruvate", "cosine_similarity": 0.1951463669538498 } }, { "source": "CID:38853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6839", "properties": { "id": "methyldopa-phensuximide similarity", "source_label": "methyldopa", "target_label": "phensuximide", "cosine_similarity": 0.2863748669624328 } }, { "source": "CID:9604993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "DMeOB-cephalothin similarity", "source_label": "DMeOB", "target_label": "cephalothin", "cosine_similarity": 0.257132887840271 } }, { "source": "CID:12001014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:146570", "properties": { "id": "mirodenafil-escitalopram similarity", "source_label": "mirodenafil", "target_label": "escitalopram", "cosine_similarity": 0.3027504980564117 } }, { "source": "CID:9907323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "cutamesine-levofloxacin similarity", "source_label": "cutamesine", "target_label": "levofloxacin", "cosine_similarity": 0.2450881153345108 } }, { "source": "CID:10068193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388962", "properties": { "id": "LM-1685-enalapril similarity", "source_label": "LM-1685", "target_label": "enalapril", "cosine_similarity": 0.2381576299667358 } }, { "source": "CID:134141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "fluphenazine-CCT-031374 similarity", "source_label": "fluphenazine", "target_label": "CCT-031374", "cosine_similarity": 0.6764136552810669 } }, { "source": "CID:442128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2868392", "properties": { "id": "dihydrosamidin-NECA similarity", "source_label": "dihydrosamidin", "target_label": "NECA", "cosine_similarity": 0.3221202492713928 } }, { "source": "CID:10635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "dihydrotestosterone-marbofloxacin similarity", "source_label": "dihydrotestosterone", "target_label": "marbofloxacin", "cosine_similarity": 0.2217439115047454 } }, { "source": "CID:6604933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "WAY-629-EMF-csc-9 similarity", "source_label": "WAY-629", "target_label": "EMF-csc-9", "cosine_similarity": 0.2574195563793182 } }, { "source": "CID:64981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "arctigenin-KU-C104493 similarity", "source_label": "arctigenin", "target_label": "KU-C104493", "cosine_similarity": 0.3350307643413543 } }, { "source": "CID:3759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "isocarboxazid-oxaprozin similarity", "source_label": "isocarboxazid", "target_label": "oxaprozin", "cosine_similarity": 0.2452658414840698 } }, { "source": "CID:73313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "trimidox-dalcetrapib similarity", "source_label": "trimidox", "target_label": "dalcetrapib", "cosine_similarity": 0.2833826243877411 } }, { "source": "CID:25067890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "RK-682-PSB-069 similarity", "source_label": "RK-682", "target_label": "PSB-069", "cosine_similarity": 0.3933903276920318 } }, { "source": "CID:709391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "MW-STK33-2A-mebendazole similarity", "source_label": "MW-STK33-2A", "target_label": "mebendazole", "cosine_similarity": 0.4223864078521728 } }, { "source": "CID:124007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "CP-93129-CAM-9-021 similarity", "source_label": "CP-93129", "target_label": "CAM-9-021", "cosine_similarity": 0.2388409972190857 } }, { "source": "CID:2129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "AM-92016-DL-PDMP similarity", "source_label": "AM-92016", "target_label": "DL-PDMP", "cosine_similarity": 0.3323220014572143 } }, { "source": "CID:44623834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "KU-C104219-CVF-SUMO-7 similarity", "source_label": "KU-C104219", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.2185305505990982 } }, { "source": "CID:2733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448912", "properties": { "id": "chlorzoxazone-aloisine similarity", "source_label": "chlorzoxazone", "target_label": "aloisine", "cosine_similarity": 0.1920399218797683 } }, { "source": "CID:151932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "picolinic-acid-aliskiren similarity", "source_label": "picolinic-acid", "target_label": "aliskiren", "cosine_similarity": 0.4313806593418121 } }, { "source": "CID:5342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "sulfinpyrazone-venlafaxine similarity", "source_label": "sulfinpyrazone", "target_label": "venlafaxine", "cosine_similarity": 0.2652168571949005 } }, { "source": "CID:4753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "phenacemide-palmatine-chloride similarity", "source_label": "phenacemide", "target_label": "palmatine-chloride", "cosine_similarity": 0.4927068054676056 } }, { "source": "CID:10205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707398", "properties": { "id": "plumbagin-MD-040 similarity", "source_label": "plumbagin", "target_label": "MD-040", "cosine_similarity": 0.3429000377655029 } }, { "source": "CID:135398737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "clozapine-lenalidomide similarity", "source_label": "clozapine", "target_label": "lenalidomide", "cosine_similarity": 0.4413312077522278 } }, { "source": "CID:9967941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "SB-525334-mestranol similarity", "source_label": "SB-525334", "target_label": "mestranol", "cosine_similarity": 0.3623223900794983 } }, { "source": "CID:3085219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629987", "properties": { "id": "mirtazapine-brivudine similarity", "source_label": "mirtazapine", "target_label": "brivudine", "cosine_similarity": 0.4313744008541107 } }, { "source": "CID:5335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "sulfaphenazole-SA-1920722 similarity", "source_label": "sulfaphenazole", "target_label": "SA-1920722", "cosine_similarity": 0.2115082740783691 } }, { "source": "CID:44456237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "SID-26681509-ABT-737 similarity", "source_label": "SID-26681509", "target_label": "ABT-737", "cosine_similarity": 0.3673533499240875 } }, { "source": "CID:54669111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669118", "properties": { "id": "SA-1921614-SA-1921902 similarity", "source_label": "SA-1921614", "target_label": "SA-1921902", "cosine_similarity": 0.245404377579689 } }, { "source": "CID:11210285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4259181", "properties": { "id": "BML-284-SCH-79797 similarity", "source_label": "BML-284", "target_label": "SCH-79797", "cosine_similarity": 0.5714103579521179 } }, { "source": "CID:104850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "rimonabant-desoxypeganine similarity", "source_label": "rimonabant", "target_label": "desoxypeganine", "cosine_similarity": 0.4119513928890228 } }, { "source": "CID:10154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "boldine-lenalidomide similarity", "source_label": "boldine", "target_label": "lenalidomide", "cosine_similarity": 0.2789397537708282 } }, { "source": "CID:3652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "hydroxychloroquine-GW-5074 similarity", "source_label": "hydroxychloroquine", "target_label": "GW-5074", "cosine_similarity": 0.495565116405487 } }, { "source": "CID:139032029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "amphotericin-b-PSB-069 similarity", "source_label": "amphotericin-b", "target_label": "PSB-069", "cosine_similarity": 0.2186794877052307 } }, { "source": "CID:35026803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "CAY-10470-NNC-55-0396 similarity", "source_label": "CAY-10470", "target_label": "NNC-55-0396", "cosine_similarity": 0.4781445860862732 } }, { "source": "CID:4760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607977", "properties": { "id": "phenindione-KU-C104145 similarity", "source_label": "phenindione", "target_label": "KU-C104145", "cosine_similarity": 0.2549510300159454 } }, { "source": "CID:37907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "climbazole-estramustine-phosphate similarity", "source_label": "climbazole", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3894725739955902 } }, { "source": "CID:3337816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "CCMQ-DMNB similarity", "source_label": "CCMQ", "target_label": "DMNB", "cosine_similarity": 0.2800121605396271 } }, { "source": "CID:129348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "PCO-400-amikacin similarity", "source_label": "PCO-400", "target_label": "amikacin", "cosine_similarity": 0.3077654838562011 } }, { "source": "CID:9908992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8433", "properties": { "id": "RS-79948-dibenzoylmethane similarity", "source_label": "RS-79948", "target_label": "dibenzoylmethane", "cosine_similarity": 0.2630038857460022 } }, { "source": "CID:46869941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29327", "properties": { "id": "VU-0366037-2-streptozotocin similarity", "source_label": "VU-0366037-2", "target_label": "streptozotocin", "cosine_similarity": 0.2186260968446731 } }, { "source": "CID:9954280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4485", "properties": { "id": "nTZDpa-nifedipine similarity", "source_label": "nTZDpa", "target_label": "nifedipine", "cosine_similarity": 0.2666090726852417 } }, { "source": "CID:23727689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2541", "properties": { "id": "almorexant-candesartan similarity", "source_label": "almorexant", "target_label": "candesartan", "cosine_similarity": 0.3218676149845123 } }, { "source": "CID:445713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122162", "properties": { "id": "farnesylpyrophosphate-luzindole similarity", "source_label": "farnesylpyrophosphate", "target_label": "luzindole", "cosine_similarity": 0.2016184777021408 } }, { "source": "CID:24868317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "UCL-2077-EMF-sumo1-11 similarity", "source_label": "UCL-2077", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.2349961847066879 } }, { "source": "CID:11345983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "cardiogenol-c-Gossypetin similarity", "source_label": "cardiogenol-c", "target_label": "Gossypetin", "cosine_similarity": 0.287951111793518 } }, { "source": "CID:1547484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "cinnarizine-DPCPX similarity", "source_label": "cinnarizine", "target_label": "DPCPX", "cosine_similarity": 0.321205586194992 } }, { "source": "CID:4552", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "NS-1619-oxaprozin similarity", "source_label": "NS-1619", "target_label": "oxaprozin", "cosine_similarity": 0.1955452412366867 } }, { "source": "CID:441074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "quinidine-losmapimod similarity", "source_label": "quinidine", "target_label": "losmapimod", "cosine_similarity": 0.3812186121940613 } }, { "source": "CID:689043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "caffeic-acid-butein similarity", "source_label": "caffeic-acid", "target_label": "butein", "cosine_similarity": 0.4712390601634979 } }, { "source": "CID:442009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "carnosol-pifithrin-mu similarity", "source_label": "carnosol", "target_label": "pifithrin-mu", "cosine_similarity": 0.3290442228317261 } }, { "source": "CID:73707508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442793", "properties": { "id": "lynestrenol-gingerol similarity", "source_label": "lynestrenol", "target_label": "gingerol", "cosine_similarity": 0.2107966542243957 } }, { "source": "CID:9651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "galantamine-TAK-715 similarity", "source_label": "galantamine", "target_label": "TAK-715", "cosine_similarity": 0.2610457837581634 } }, { "source": "CID:443943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "halcinonide-clocortolone-pivalate similarity", "source_label": "halcinonide", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.6325286030769348 } }, { "source": "CID:6450546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "gavestinel-KIN001-269 similarity", "source_label": "gavestinel", "target_label": "KIN001-269", "cosine_similarity": 0.1809063702821731 } }, { "source": "CID:5105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "roxatidine-meropenem similarity", "source_label": "roxatidine", "target_label": "meropenem", "cosine_similarity": 0.2427235096693039 } }, { "source": "CID:23902994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "BL-077-APO-866 similarity", "source_label": "BL-077", "target_label": "APO-866", "cosine_similarity": 0.2754270136356354 } }, { "source": "CID:73265211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57345770", "properties": { "id": "XMD-1499-KI-20227 similarity", "source_label": "XMD-1499", "target_label": "KI-20227", "cosine_similarity": 0.327531635761261 } }, { "source": "CID:2904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "cyclopenthiazide-DAC-004 similarity", "source_label": "cyclopenthiazide", "target_label": "DAC-004", "cosine_similarity": 0.2755074799060821 } }, { "source": "CID:5392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2868392", "properties": { "id": "temefos-NECA similarity", "source_label": "temefos", "target_label": "NECA", "cosine_similarity": 0.2181417942047119 } }, { "source": "CID:70680396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "MW-SHH-28-glutamine similarity", "source_label": "MW-SHH-28", "target_label": "glutamine", "cosine_similarity": 0.2671595811843872 } }, { "source": "CID:574780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "BD-1063-oleoylethanolamide similarity", "source_label": "BD-1063", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2480937093496322 } }, { "source": "CID:228398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "L-theanine-tiapride similarity", "source_label": "L-theanine", "target_label": "tiapride", "cosine_similarity": 0.1664455682039261 } }, { "source": "CID:180933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "chrysenequinone-F-1566-0341 similarity", "source_label": "chrysenequinone", "target_label": "F-1566-0341", "cosine_similarity": 0.6599866151809692 } }, { "source": "CID:9906875", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "LFM-A13-Gly-Gly-PALO similarity", "source_label": "LFM-A13", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4799295663833618 } }, { "source": "CID:2713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "chlorhexidine-heliomycin similarity", "source_label": "chlorhexidine", "target_label": "heliomycin", "cosine_similarity": 0.4421214759349823 } }, { "source": "CID:45489447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296282", "properties": { "id": "VU-0415555-1-DG-041 similarity", "source_label": "VU-0415555-1", "target_label": "DG-041", "cosine_similarity": 0.3051691353321075 } }, { "source": "CID:5280804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "isoquercetin-GR-127935 similarity", "source_label": "isoquercetin", "target_label": "GR-127935", "cosine_similarity": 0.2703135907649994 } }, { "source": "CID:44246499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "TEPP-46-MW-STK33-100 similarity", "source_label": "TEPP-46", "target_label": "MW-STK33-100", "cosine_similarity": 0.3335040509700775 } }, { "source": "CID:107780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "GR-127935-NNC-55-0396 similarity", "source_label": "GR-127935", "target_label": "NNC-55-0396", "cosine_similarity": 0.6651952266693115 } }, { "source": "CID:60852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12810432", "properties": { "id": "ibandronic-acid-cefotiam similarity", "source_label": "ibandronic-acid", "target_label": "cefotiam", "cosine_similarity": 0.1892883628606796 } }, { "source": "CID:3185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133017", "properties": { "id": "E-4031-rupatadine similarity", "source_label": "E-4031", "target_label": "rupatadine", "cosine_similarity": 0.3613864481449127 } }, { "source": "CID:6436393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "carbacyclin-mestranol similarity", "source_label": "carbacyclin", "target_label": "mestranol", "cosine_similarity": 0.2643942832946777 } }, { "source": "CID:6093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "niridazole-cortisone similarity", "source_label": "niridazole", "target_label": "cortisone", "cosine_similarity": 0.2551555037498474 } }, { "source": "CID:9867770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5816", "properties": { "id": "JTE-907-epinephrine similarity", "source_label": "JTE-907", "target_label": "epinephrine", "cosine_similarity": 0.2916017770767212 } }, { "source": "CID:9820766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10405323", "properties": { "id": "PD-160170-WR-216174 similarity", "source_label": "PD-160170", "target_label": "WR-216174", "cosine_similarity": 0.4047176241874695 } }, { "source": "CID:54657733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54616417", "properties": { "id": "SA-1459002-SA-424755 similarity", "source_label": "SA-1459002", "target_label": "SA-424755", "cosine_similarity": 0.2307349443435669 } }, { "source": "CID:2941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "D-609-EMF-csc-9 similarity", "source_label": "D-609", "target_label": "EMF-csc-9", "cosine_similarity": 0.3937887549400329 } }, { "source": "CID:9826308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "GW-843682X-nocodazole similarity", "source_label": "GW-843682X", "target_label": "nocodazole", "cosine_similarity": 0.5856150388717651 } }, { "source": "CID:5720188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "BH3I-1-7-nitroindazole similarity", "source_label": "BH3I-1", "target_label": "7-nitroindazole", "cosine_similarity": 0.2597278356552124 } }, { "source": "CID:2203170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "EMF-sumo1-2-cerulenin similarity", "source_label": "EMF-sumo1-2", "target_label": "cerulenin", "cosine_similarity": 0.3408400416374206 } }, { "source": "CID:25226380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5681", "properties": { "id": "enobosarm-W-7 similarity", "source_label": "enobosarm", "target_label": "W-7", "cosine_similarity": 0.2759257853031158 } }, { "source": "CID:54614981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281691", "properties": { "id": "SA-426799-rhamnetin similarity", "source_label": "SA-426799", "target_label": "rhamnetin", "cosine_similarity": 0.2288589924573898 } }, { "source": "CID:6103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "zoxazolamine-alda-1 similarity", "source_label": "zoxazolamine", "target_label": "alda-1", "cosine_similarity": 0.2146183848381042 } }, { "source": "CID:637863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "S-18986-histamine similarity", "source_label": "S-18986", "target_label": "histamine", "cosine_similarity": 0.5574179291725159 } }, { "source": "CID:5381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2170", "properties": { "id": "tazarotene-amoxapine similarity", "source_label": "tazarotene", "target_label": "amoxapine", "cosine_similarity": 0.3616026937961578 } }, { "source": "CID:3081361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "vandetanib-thioridazine similarity", "source_label": "vandetanib", "target_label": "thioridazine", "cosine_similarity": 0.633666455745697 } }, { "source": "CID:54454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "simvastatin-salmeterol similarity", "source_label": "simvastatin", "target_label": "salmeterol", "cosine_similarity": 0.4902530014514923 } }, { "source": "CID:5794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "piperonyl-butoxide-alizapride similarity", "source_label": "piperonyl-butoxide", "target_label": "alizapride", "cosine_similarity": 0.2498905211687088 } }, { "source": "CID:4688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "pargyline-pentoxifylline similarity", "source_label": "pargyline", "target_label": "pentoxifylline", "cosine_similarity": 0.3404939472675323 } }, { "source": "CID:4031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "mebeverine-salmeterol similarity", "source_label": "mebeverine", "target_label": "salmeterol", "cosine_similarity": 0.3225092589855194 } }, { "source": "CID:446596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "mupirocin-NU-1025 similarity", "source_label": "mupirocin", "target_label": "NU-1025", "cosine_similarity": 0.2588111460208893 } }, { "source": "CID:2990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71188", "properties": { "id": "dephostatin-enrofloxacin similarity", "source_label": "dephostatin", "target_label": "enrofloxacin", "cosine_similarity": 0.3031592071056366 } }, { "source": "CID:4355450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6711154", "properties": { "id": "LY-225910-CGP-53353 similarity", "source_label": "LY-225910", "target_label": "CGP-53353", "cosine_similarity": 0.2381511479616165 } }, { "source": "CID:9956146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "JDTic-rimcazole similarity", "source_label": "JDTic", "target_label": "rimcazole", "cosine_similarity": 0.294700562953949 } }, { "source": "CID:2726824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "XAV-939-MDL-28170 similarity", "source_label": "XAV-939", "target_label": "MDL-28170", "cosine_similarity": 0.4241121411323547 } }, { "source": "CID:405012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3307", "properties": { "id": "indoximod-etizolam similarity", "source_label": "indoximod", "target_label": "etizolam", "cosine_similarity": 0.3021447956562042 } }, { "source": "CID:5338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "sulfaquinoxaline-XAV-939 similarity", "source_label": "sulfaquinoxaline", "target_label": "XAV-939", "cosine_similarity": 0.3171392679214477 } }, { "source": "CID:448013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "epothilone-HMN-214 similarity", "source_label": "epothilone", "target_label": "HMN-214", "cosine_similarity": 0.7666784524917603 } }, { "source": "CID:386331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "quercetagetin-SA-97110 similarity", "source_label": "quercetagetin", "target_label": "SA-97110", "cosine_similarity": 0.17434062063694 } }, { "source": "CID:73707447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "lanatoside-c-digitoxigenin similarity", "source_label": "lanatoside-c", "target_label": "digitoxigenin", "cosine_similarity": 0.6159519553184509 } }, { "source": "CID:753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "glycerol-indinavir similarity", "source_label": "glycerol", "target_label": "indinavir", "cosine_similarity": 0.3269822597503662 } }, { "source": "CID:1133081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1014-BG-1016 similarity", "source_label": "BG-1014", "target_label": "BG-1016", "cosine_similarity": 0.4949111044406891 } }, { "source": "CID:6451164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67505836", "properties": { "id": "rilpivirine-ledipasvir similarity", "source_label": "rilpivirine", "target_label": "ledipasvir", "cosine_similarity": 0.277445912361145 } }, { "source": "CID:5770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160020", "properties": { "id": "reserpine-tetrindole similarity", "source_label": "reserpine", "target_label": "tetrindole", "cosine_similarity": 0.3606904447078705 } }, { "source": "CID:71721648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "CEP-37440-wortmannin similarity", "source_label": "CEP-37440", "target_label": "wortmannin", "cosine_similarity": 0.6895558834075928 } }, { "source": "CID:6843", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "propoxycaine-Gossypetin similarity", "source_label": "propoxycaine", "target_label": "Gossypetin", "cosine_similarity": 0.3016684949398041 } }, { "source": "CID:2370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "bethanechol-phenothiazine similarity", "source_label": "bethanechol", "target_label": "phenothiazine", "cosine_similarity": 0.3034774661064148 } }, { "source": "CID:362328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "NSC-625987-iodoquinol similarity", "source_label": "NSC-625987", "target_label": "iodoquinol", "cosine_similarity": 0.6199712157249451 } }, { "source": "CID:54658215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-1457103-SA-1938867 similarity", "source_label": "SA-1457103", "target_label": "SA-1938867", "cosine_similarity": 0.2571574747562408 } }, { "source": "CID:4494", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2129", "properties": { "id": "nilvadipine-AM-92016 similarity", "source_label": "nilvadipine", "target_label": "AM-92016", "cosine_similarity": 0.3479373753070831 } }, { "source": "CID:10000456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "RS-102895-KU-C104493 similarity", "source_label": "RS-102895", "target_label": "KU-C104493", "cosine_similarity": 0.2518528997898102 } }, { "source": "CID:6604749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "L-689560-BMS-641988 similarity", "source_label": "L-689560", "target_label": "BMS-641988", "cosine_similarity": 0.341042160987854 } }, { "source": "CID:2749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "ciclopirox-VU-0418934-2 similarity", "source_label": "ciclopirox", "target_label": "VU-0418934-2", "cosine_similarity": 0.6286675930023193 } }, { "source": "CID:12478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "trimetozine-meropenem similarity", "source_label": "trimetozine", "target_label": "meropenem", "cosine_similarity": 0.2546036839485168 } }, { "source": "CID:2446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "bromopride-cinchophen similarity", "source_label": "bromopride", "target_label": "cinchophen", "cosine_similarity": 0.341029554605484 } }, { "source": "CID:604519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "ipidacrine-sacubitril similarity", "source_label": "ipidacrine", "target_label": "sacubitril", "cosine_similarity": 0.1818360686302185 } }, { "source": "CID:135565635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "PP-242-AZD-8055 similarity", "source_label": "PP-242", "target_label": "AZD-8055", "cosine_similarity": 0.3812922537326813 } }, { "source": "CID:22416272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "KU-C103868-darinaparsin similarity", "source_label": "KU-C103868", "target_label": "darinaparsin", "cosine_similarity": 0.3196500241756439 } }, { "source": "CID:54660174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620013", "properties": { "id": "SA-1458610-SA-424294 similarity", "source_label": "SA-1458610", "target_label": "SA-424294", "cosine_similarity": 0.3626745045185089 } }, { "source": "CID:44483335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "GW-311616-MW-MITF28 similarity", "source_label": "GW-311616", "target_label": "MW-MITF28", "cosine_similarity": 0.2382890731096267 } }, { "source": "CID:5417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5403", "properties": { "id": "tetrahydropalmatine-terbutaline similarity", "source_label": "tetrahydropalmatine", "target_label": "terbutaline", "cosine_similarity": 0.2610664367675781 } }, { "source": "CID:5943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:178", "properties": { "id": "carbon-tetrachloride-acetamide similarity", "source_label": "carbon-tetrachloride", "target_label": "acetamide", "cosine_similarity": 0.361861377954483 } }, { "source": "CID:73707544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707545", "properties": { "id": "BG-1027-BG-1028 similarity", "source_label": "BG-1027", "target_label": "BG-1028", "cosine_similarity": 0.4706655740737915 } }, { "source": "CID:441853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "cymarin-digitoxigenin similarity", "source_label": "cymarin", "target_label": "digitoxigenin", "cosine_similarity": 0.7873169183731079 } }, { "source": "CID:5287953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "tipiracil-dinoprost similarity", "source_label": "tipiracil", "target_label": "dinoprost", "cosine_similarity": 0.4828472435474396 } }, { "source": "CID:4038180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1359", "properties": { "id": "A-61603-TRIM similarity", "source_label": "A-61603", "target_label": "TRIM", "cosine_similarity": 0.4821909964084625 } }, { "source": "CID:449459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "tamoxifen-CCT-031374 similarity", "source_label": "tamoxifen", "target_label": "CCT-031374", "cosine_similarity": 0.7783938646316528 } }, { "source": "CID:2264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620122", "properties": { "id": "azasetron-SD-6-035-A9 similarity", "source_label": "azasetron", "target_label": "SD-6-035-A9", "cosine_similarity": 0.2839260101318359 } }, { "source": "CID:6519698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "JIB04-VU-0418939-2 similarity", "source_label": "JIB04", "target_label": "VU-0418939-2", "cosine_similarity": 0.5220659971237183 } }, { "source": "CID:54666790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-1919918-SA-1921816 similarity", "source_label": "SA-1919918", "target_label": "SA-1921816", "cosine_similarity": 0.2860475182533264 } }, { "source": "CID:24753719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10313", "properties": { "id": "PCI-34051-benzohydroxamic-acid similarity", "source_label": "PCI-34051", "target_label": "benzohydroxamic-acid", "cosine_similarity": 0.2404990047216415 } }, { "source": "CID:15604015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "ABC-294640-GSK-J2 similarity", "source_label": "ABC-294640", "target_label": "GSK-J2", "cosine_similarity": 0.4128842651844024 } }, { "source": "CID:9952773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "TAK-715-SB-203580 similarity", "source_label": "TAK-715", "target_label": "SB-203580", "cosine_similarity": 0.4605413675308227 } }, { "source": "CID:2951172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "EMF-sumo1-6-Gly-Gly-PALO similarity", "source_label": "EMF-sumo1-6", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.398097276687622 } }, { "source": "CID:3000022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5083", "properties": { "id": "MW-STK33-23-bisindolylmaleimide-ix similarity", "source_label": "MW-STK33-23", "target_label": "bisindolylmaleimide-ix", "cosine_similarity": 0.54278963804245 } }, { "source": "CID:25171648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "EMD-1214063-FIT similarity", "source_label": "EMD-1214063", "target_label": "FIT", "cosine_similarity": 0.3934863805770874 } }, { "source": "CID:2771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "citalopram-dienestrol similarity", "source_label": "citalopram", "target_label": "dienestrol", "cosine_similarity": 0.4237668514251709 } }, { "source": "CID:445319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "S-isopropylisothiourea-fisetin similarity", "source_label": "S-isopropylisothiourea", "target_label": "fisetin", "cosine_similarity": 0.4681882262229919 } }, { "source": "CID:6249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "ampicillin-PT-630 similarity", "source_label": "ampicillin", "target_label": "PT-630", "cosine_similarity": 0.2763415575027466 } }, { "source": "CID:4552", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "NS-1619-tolcapone similarity", "source_label": "NS-1619", "target_label": "tolcapone", "cosine_similarity": 0.1796298921108245 } }, { "source": "CID:5280343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "quercetin-inositol similarity", "source_label": "quercetin", "target_label": "inositol", "cosine_similarity": 0.6115912795066833 } }, { "source": "CID:3000322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "scopolamine-saxagliptin similarity", "source_label": "scopolamine", "target_label": "saxagliptin", "cosine_similarity": 0.4212048947811126 } }, { "source": "CID:5314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54671008", "properties": { "id": "succinylcholine-chloride-raltegravir similarity", "source_label": "succinylcholine-chloride", "target_label": "raltegravir", "cosine_similarity": 0.1765132844448089 } }, { "source": "CID:5702124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2688", "properties": { "id": "tranylcypromine-CGP-37157 similarity", "source_label": "tranylcypromine", "target_label": "CGP-37157", "cosine_similarity": 0.3825843036174774 } }, { "source": "CID:4418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "naftopidil-epirizole similarity", "source_label": "naftopidil", "target_label": "epirizole", "cosine_similarity": 0.3927376866340637 } }, { "source": "CID:3329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "faropenem-naftifine similarity", "source_label": "faropenem", "target_label": "naftifine", "cosine_similarity": 0.3476653695106506 } }, { "source": "CID:11978813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "brexpiprazole-DPCPX similarity", "source_label": "brexpiprazole", "target_label": "DPCPX", "cosine_similarity": 0.4384472966194153 } }, { "source": "CID:5281894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:438981", "properties": { "id": "NSC-94258-NSC-693868 similarity", "source_label": "NSC-94258", "target_label": "NSC-693868", "cosine_similarity": 0.2074693888425827 } }, { "source": "CID:11438771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12560", "properties": { "id": "basimglurant-erythromycin similarity", "source_label": "basimglurant", "target_label": "erythromycin", "cosine_similarity": 0.3231565654277801 } }, { "source": "CID:23748533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5534", "properties": { "id": "ML-3163-tremorine similarity", "source_label": "ML-3163", "target_label": "tremorine", "cosine_similarity": 0.2379126250743866 } }, { "source": "CID:2853908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "SA-3676-NSC-663284 similarity", "source_label": "SA-3676", "target_label": "NSC-663284", "cosine_similarity": 0.4701440334320068 } }, { "source": "CID:5383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "tebuthiuron-thiazolopyrimidine similarity", "source_label": "tebuthiuron", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3448955714702606 } }, { "source": "CID:8609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "phenyl-aminosalicylate-amidopyrine similarity", "source_label": "phenyl-aminosalicylate", "target_label": "amidopyrine", "cosine_similarity": 0.5134074091911316 } }, { "source": "CID:10184653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156414", "properties": { "id": "afatinib-canertinib similarity", "source_label": "afatinib", "target_label": "canertinib", "cosine_similarity": 0.6389855146408081 } }, { "source": "CID:6473767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "picrotoxin-ST-059620 similarity", "source_label": "picrotoxin", "target_label": "ST-059620", "cosine_similarity": 0.2682752013206482 } }, { "source": "CID:6450546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "gavestinel-UNC-1215 similarity", "source_label": "gavestinel", "target_label": "UNC-1215", "cosine_similarity": 0.1754655390977859 } }, { "source": "CID:3220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24748573", "properties": { "id": "emodin-CX-4945 similarity", "source_label": "emodin", "target_label": "CX-4945", "cosine_similarity": 0.2992736995220184 } }, { "source": "CID:638024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129228", "properties": { "id": "piperine-rufinamide similarity", "source_label": "piperine", "target_label": "rufinamide", "cosine_similarity": 0.1856275796890258 } }, { "source": "CID:44602375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "KU-C104123-cerulenin similarity", "source_label": "KU-C104123", "target_label": "cerulenin", "cosine_similarity": 0.2516159117221832 } }, { "source": "CID:6713958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "vitexin-naloxone similarity", "source_label": "vitexin", "target_label": "naloxone", "cosine_similarity": 0.2894278466701507 } }, { "source": "CID:11289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4160", "properties": { "id": "chlorotrianisene-methyl-testosterone similarity", "source_label": "chlorotrianisene", "target_label": "methyl-testosterone", "cosine_similarity": 0.263647586107254 } }, { "source": "CID:71158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:761523", "properties": { "id": "acamprosate-m-3M3FBS similarity", "source_label": "acamprosate", "target_label": "m-3M3FBS", "cosine_similarity": 0.2824277579784393 } }, { "source": "CID:5283454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "oleoylethanolamide-pentoxifylline similarity", "source_label": "oleoylethanolamide", "target_label": "pentoxifylline", "cosine_similarity": 0.3355987071990967 } }, { "source": "CID:9651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "galantamine-oleoylethanolamide similarity", "source_label": "galantamine", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2558898329734802 } }, { "source": "CID:54657141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654560", "properties": { "id": "SA-1462678-SA-1473468 similarity", "source_label": "SA-1462678", "target_label": "SA-1473468", "cosine_similarity": 0.3099811673164367 } }, { "source": "CID:10219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2900", "properties": { "id": "emetine-cycloheximide similarity", "source_label": "emetine", "target_label": "cycloheximide", "cosine_similarity": 0.8145956993103027 } }, { "source": "CID:48229", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121930", "properties": { "id": "talniflumate-LY-165163 similarity", "source_label": "talniflumate", "target_label": "LY-165163", "cosine_similarity": 0.2416722774505615 } }, { "source": "CID:4767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "phenothrin-flumethasone-pivalate similarity", "source_label": "phenothrin", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.5580768585205078 } }, { "source": "CID:2724385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "digoxin-cinobufagin similarity", "source_label": "digoxin", "target_label": "cinobufagin", "cosine_similarity": 0.7719994187355042 } }, { "source": "CID:5905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "idoxuridine-phenothrin similarity", "source_label": "idoxuridine", "target_label": "phenothrin", "cosine_similarity": 0.2101834863424301 } }, { "source": "CID:132449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "L-690330-rilmenidine similarity", "source_label": "L-690330", "target_label": "rilmenidine", "cosine_similarity": 0.4306150078773498 } }, { "source": "CID:637213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "rhapontin-imiloxan similarity", "source_label": "rhapontin", "target_label": "imiloxan", "cosine_similarity": 0.2808800935745239 } }, { "source": "CID:4364841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "L-165041-GW-5074 similarity", "source_label": "L-165041", "target_label": "GW-5074", "cosine_similarity": 0.2466989159584045 } }, { "source": "CID:51001932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "taselisib-PI-103 similarity", "source_label": "taselisib", "target_label": "PI-103", "cosine_similarity": 0.8580648899078369 } }, { "source": "CID:4673492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "ZD-7155-dictamnine similarity", "source_label": "ZD-7155", "target_label": "dictamnine", "cosine_similarity": 0.2691024541854858 } }, { "source": "CID:3038495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "BP-897-drofenine similarity", "source_label": "BP-897", "target_label": "drofenine", "cosine_similarity": 0.2109497338533401 } }, { "source": "CID:44488751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "SA-422830-tofacitinib similarity", "source_label": "SA-422830", "target_label": "tofacitinib", "cosine_similarity": 0.3346757292747497 } }, { "source": "CID:11705608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10052040", "properties": { "id": "APD-668-CP-945598 similarity", "source_label": "APD-668", "target_label": "CP-945598", "cosine_similarity": 0.3447780013084411 } }, { "source": "CID:102614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "dpn-evoxine similarity", "source_label": "dpn", "target_label": "evoxine", "cosine_similarity": 0.2049871981143951 } }, { "source": "CID:11640390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "linsitinib-ZSTK-474 similarity", "source_label": "linsitinib", "target_label": "ZSTK-474", "cosine_similarity": 0.5986198782920837 } }, { "source": "CID:4100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "methazolamide-L-citrulline similarity", "source_label": "methazolamide", "target_label": "L-citrulline", "cosine_similarity": 0.3983608186244964 } }, { "source": "CID:9889366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482", "properties": { "id": "mibampator-tioconazole similarity", "source_label": "mibampator", "target_label": "tioconazole", "cosine_similarity": 0.3515509665012359 } }, { "source": "CID:44490257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660617", "properties": { "id": "SA-102607-SA-1457458 similarity", "source_label": "SA-102607", "target_label": "SA-1457458", "cosine_similarity": 0.335449606180191 } }, { "source": "CID:2092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "alfuzosin-mesoridazine similarity", "source_label": "alfuzosin", "target_label": "mesoridazine", "cosine_similarity": 0.3066706657409668 } }, { "source": "CID:122070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "L-655240-nateglinide similarity", "source_label": "L-655240", "target_label": "nateglinide", "cosine_similarity": 0.4550597071647644 } }, { "source": "CID:24747169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9801", "properties": { "id": "PSH-024-prenylamine similarity", "source_label": "PSH-024", "target_label": "prenylamine", "cosine_similarity": 0.2896088063716888 } }, { "source": "CID:54675769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "novobiocin-tetrahydrouridine similarity", "source_label": "novobiocin", "target_label": "tetrahydrouridine", "cosine_similarity": 0.384844958782196 } }, { "source": "CID:3645619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "PD-168077-CS-2092524 similarity", "source_label": "PD-168077", "target_label": "CS-2092524", "cosine_similarity": 0.3049690127372741 } }, { "source": "CID:2369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "betaxolol-gossypin similarity", "source_label": "betaxolol", "target_label": "gossypin", "cosine_similarity": 0.3006743788719177 } }, { "source": "CID:6855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3385", "properties": { "id": "benzoxiquine-fluorouracil similarity", "source_label": "benzoxiquine", "target_label": "fluorouracil", "cosine_similarity": 0.2119141966104507 } }, { "source": "CID:196841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442972", "properties": { "id": "FR-122047-cyclopamine similarity", "source_label": "FR-122047", "target_label": "cyclopamine", "cosine_similarity": 0.2525099515914917 } }, { "source": "CID:600670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "lomatin-L-ergothioneine similarity", "source_label": "lomatin", "target_label": "L-ergothioneine", "cosine_similarity": 0.4167881906032562 } }, { "source": "CID:54667404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44508028", "properties": { "id": "SA-1919877-SA-247582 similarity", "source_label": "SA-1919877", "target_label": "SA-247582", "cosine_similarity": 0.3701769113540649 } }, { "source": "CID:1456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604009", "properties": { "id": "ODQ-SB-222200 similarity", "source_label": "ODQ", "target_label": "SB-222200", "cosine_similarity": 0.2826662361621856 } }, { "source": "CID:3970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "LY-278584-dictamnine similarity", "source_label": "LY-278584", "target_label": "dictamnine", "cosine_similarity": 0.2263384312391281 } }, { "source": "CID:60186824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488994", "properties": { "id": "SA-1938820-SA-89068 similarity", "source_label": "SA-1938820", "target_label": "SA-89068", "cosine_similarity": 0.306639015674591 } }, { "source": "CID:637563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "anethole-carbon-tetrachloride similarity", "source_label": "anethole", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.3191899359226227 } }, { "source": "CID:73707604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707606", "properties": { "id": "avicin-g-oxetane similarity", "source_label": "avicin-g", "target_label": "oxetane", "cosine_similarity": 0.5928303003311157 } }, { "source": "CID:5497136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2130404", "properties": { "id": "ceramide-AGK-2 similarity", "source_label": "ceramide", "target_label": "AGK-2", "cosine_similarity": 0.2194119840860366 } }, { "source": "CID:5639", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "urapidil-temozolomide similarity", "source_label": "urapidil", "target_label": "temozolomide", "cosine_similarity": 0.3904599249362945 } }, { "source": "CID:54654429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "SA-1472655-HMN-214 similarity", "source_label": "SA-1472655", "target_label": "HMN-214", "cosine_similarity": 0.2753714323043823 } }, { "source": "CID:44819697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "CAY-10618-CHEMBL-374350 similarity", "source_label": "CAY-10618", "target_label": "CHEMBL-374350", "cosine_similarity": 0.4618171155452728 } }, { "source": "CID:46191454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "PHA-793887-R-547 similarity", "source_label": "PHA-793887", "target_label": "R-547", "cosine_similarity": 0.6988335847854614 } }, { "source": "CID:23919667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "DY-44-phenothiazine similarity", "source_label": "DY-44", "target_label": "phenothiazine", "cosine_similarity": 0.2860533893108368 } }, { "source": "CID:44491516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "SA-432137-AICA-ribonucleotide similarity", "source_label": "SA-432137", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2376990616321563 } }, { "source": "CID:6127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3423", "properties": { "id": "diphemanil-FPL-64176 similarity", "source_label": "diphemanil", "target_label": "FPL-64176", "cosine_similarity": 0.2964991927146911 } }, { "source": "CID:60490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "zileuton-prima-1-met similarity", "source_label": "zileuton", "target_label": "prima-1-met", "cosine_similarity": 0.4137080907821655 } }, { "source": "CID:10767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "amyleine-PTB1 similarity", "source_label": "amyleine", "target_label": "PTB1", "cosine_similarity": 0.3654748797416687 } }, { "source": "CID:11713159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11524144", "properties": { "id": "PF-562271-dorsomorphin similarity", "source_label": "PF-562271", "target_label": "dorsomorphin", "cosine_similarity": 0.5589289665222168 } }, { "source": "CID:2378095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122023", "properties": { "id": "decafluorobutane-LY-255283 similarity", "source_label": "decafluorobutane", "target_label": "LY-255283", "cosine_similarity": 0.2621652781963348 } }, { "source": "CID:11052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "orthothymotinic-acid-pentoxifylline similarity", "source_label": "orthothymotinic-acid", "target_label": "pentoxifylline", "cosine_similarity": 0.2371433228254318 } }, { "source": "CID:104845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680401", "properties": { "id": "alfaxalone-MW-SHH-250 similarity", "source_label": "alfaxalone", "target_label": "MW-SHH-250", "cosine_similarity": 0.2741408050060272 } }, { "source": "CID:11096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "pseudopelletierine-PT-630 similarity", "source_label": "pseudopelletierine", "target_label": "PT-630", "cosine_similarity": 0.2621575891971588 } }, { "source": "CID:45110765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "VU-0400071-3-ST-059620 similarity", "source_label": "VU-0400071-3", "target_label": "ST-059620", "cosine_similarity": 0.2285663783550262 } }, { "source": "CID:4262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4289", "properties": { "id": "MT-21-Ro-16-6941 similarity", "source_label": "MT-21", "target_label": "Ro-16-6941", "cosine_similarity": 0.2185734957456588 } }, { "source": "CID:5379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "gatifloxacin-indinavir similarity", "source_label": "gatifloxacin", "target_label": "indinavir", "cosine_similarity": 0.5055748820304871 } }, { "source": "CID:5584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2377", "properties": { "id": "trimipramine-bifemelane similarity", "source_label": "trimipramine", "target_label": "bifemelane", "cosine_similarity": 0.5130786895751953 } }, { "source": "CID:10288191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "MEK-162-Ro-4987655 similarity", "source_label": "MEK-162", "target_label": "Ro-4987655", "cosine_similarity": 0.8324711918830872 } }, { "source": "CID:60193939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1939915-SA-419050 similarity", "source_label": "SA-1939915", "target_label": "SA-419050", "cosine_similarity": 0.2792331576347351 } }, { "source": "CID:11442891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771867", "properties": { "id": "danusertib-alisertib similarity", "source_label": "danusertib", "target_label": "alisertib", "cosine_similarity": 0.4712393581867218 } }, { "source": "CID:6321411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654435", "properties": { "id": "cefixime-SA-1472702 similarity", "source_label": "cefixime", "target_label": "SA-1472702", "cosine_similarity": 0.377842366695404 } }, { "source": "CID:4680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "papaverine-nevirapine similarity", "source_label": "papaverine", "target_label": "nevirapine", "cosine_similarity": 0.3620229065418243 } }, { "source": "CID:4770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034034", "properties": { "id": "phenprobamate-quinine similarity", "source_label": "phenprobamate", "target_label": "quinine", "cosine_similarity": 0.2336915731430053 } }, { "source": "CID:3125011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "MW-A1-2-TUL-XX025TFA similarity", "source_label": "MW-A1-2", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3063057065010071 } }, { "source": "CID:25102847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "cabozantinib-ibrutinib similarity", "source_label": "cabozantinib", "target_label": "ibrutinib", "cosine_similarity": 0.4519575536251068 } }, { "source": "CID:115210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "ZK-93426-diethylcarbamazine similarity", "source_label": "ZK-93426", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3751158416271209 } }, { "source": "CID:46196517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "EVP-6124-rimcazole similarity", "source_label": "EVP-6124", "target_label": "rimcazole", "cosine_similarity": 0.2650869190692901 } }, { "source": "CID:766949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "JNK-IN-5A-parbendazole similarity", "source_label": "JNK-IN-5A", "target_label": "parbendazole", "cosine_similarity": 0.7736144065856934 } }, { "source": "CID:6419747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "SYK-inhibitor-KO-143 similarity", "source_label": "SYK-inhibitor", "target_label": "KO-143", "cosine_similarity": 0.3891749382019043 } }, { "source": "CID:5702094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131747", "properties": { "id": "norethindrone-SR-57227A similarity", "source_label": "norethindrone", "target_label": "SR-57227A", "cosine_similarity": 0.3090333938598633 } }, { "source": "CID:2708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "chlorambucil-SN-38 similarity", "source_label": "chlorambucil", "target_label": "SN-38", "cosine_similarity": 0.380039244890213 } }, { "source": "CID:57363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071196", "properties": { "id": "finasteride-pimavanserin similarity", "source_label": "finasteride", "target_label": "pimavanserin", "cosine_similarity": 0.4833303987979889 } }, { "source": "CID:3590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6047", "properties": { "id": "heptaminol-levodopa similarity", "source_label": "heptaminol", "target_label": "levodopa", "cosine_similarity": 0.2187615931034088 } }, { "source": "CID:23748511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "III606050-NNC-55-0396 similarity", "source_label": "III606050", "target_label": "NNC-55-0396", "cosine_similarity": 0.3546458482742309 } }, { "source": "CID:152946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "moxifloxacin-estradiol-cypionate similarity", "source_label": "moxifloxacin", "target_label": "estradiol-cypionate", "cosine_similarity": 0.6220355033874512 } }, { "source": "CID:28061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "ornidazole-estramustine-phosphate similarity", "source_label": "ornidazole", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3487704396247864 } }, { "source": "CID:44602404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747209", "properties": { "id": "KU-C104133-PSH-012 similarity", "source_label": "KU-C104133", "target_label": "PSH-012", "cosine_similarity": 0.2348763644695282 } }, { "source": "CID:2092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "alfuzosin-7-nitroindazole similarity", "source_label": "alfuzosin", "target_label": "7-nitroindazole", "cosine_similarity": 0.3028328716754913 } }, { "source": "CID:6857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "quinisocaine-RU-24969 similarity", "source_label": "quinisocaine", "target_label": "RU-24969", "cosine_similarity": 0.2347483932971954 } }, { "source": "CID:3654103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2378095", "properties": { "id": "BRL-15572-decafluorobutane similarity", "source_label": "BRL-15572", "target_label": "decafluorobutane", "cosine_similarity": 0.2145781069993972 } }, { "source": "CID:11715767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "PHA-767491-AG-14361 similarity", "source_label": "PHA-767491", "target_label": "AG-14361", "cosine_similarity": 0.6212664246559143 } }, { "source": "CID:68508601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "PT-630-JZL-184 similarity", "source_label": "PT-630", "target_label": "JZL-184", "cosine_similarity": 0.5476957559585571 } }, { "source": "CID:9882625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "PSB-11-diethylcarbamazine similarity", "source_label": "PSB-11", "target_label": "diethylcarbamazine", "cosine_similarity": 0.2319054305553436 } }, { "source": "CID:2448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488817", "properties": { "id": "bromperidol-SA-84512 similarity", "source_label": "bromperidol", "target_label": "SA-84512", "cosine_similarity": 0.2874689996242523 } }, { "source": "CID:4636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123879", "properties": { "id": "oxymetazoline-ramatroban similarity", "source_label": "oxymetazoline", "target_label": "ramatroban", "cosine_similarity": 0.3400411903858185 } }, { "source": "CID:216239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "sorafenib-RAF-265 similarity", "source_label": "sorafenib", "target_label": "RAF-265", "cosine_similarity": 0.6508803367614746 } }, { "source": "CID:6338099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46902718", "properties": { "id": "securinine-KUC105208 similarity", "source_label": "securinine", "target_label": "KUC105208", "cosine_similarity": 0.4016100764274597 } }, { "source": "CID:129211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "tamsulosin-D-serine similarity", "source_label": "tamsulosin", "target_label": "D-serine", "cosine_similarity": 0.3676324784755707 } }, { "source": "CID:4990100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061185", "properties": { "id": "kynuramine-mead-ethanolamide similarity", "source_label": "kynuramine", "target_label": "mead-ethanolamide", "cosine_similarity": 0.2079388052225113 } }, { "source": "CID:11749858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "PCI-24781-NCH-51 similarity", "source_label": "PCI-24781", "target_label": "NCH-51", "cosine_similarity": 0.8347750902175903 } }, { "source": "CID:18087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5584", "properties": { "id": "clopidol-trimipramine similarity", "source_label": "clopidol", "target_label": "trimipramine", "cosine_similarity": 0.1594961434602737 } }, { "source": "CID:44623834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16043", "properties": { "id": "KU-C104219-tert-butylhydroquinone similarity", "source_label": "KU-C104219", "target_label": "tert-butylhydroquinone", "cosine_similarity": 0.2058736532926559 } }, { "source": "CID:1505784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "SJB-AF-2-KU-C104137 similarity", "source_label": "SJB-AF-2", "target_label": "KU-C104137", "cosine_similarity": 0.2334774583578109 } }, { "source": "CID:2247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "astemizole-thioridazine similarity", "source_label": "astemizole", "target_label": "thioridazine", "cosine_similarity": 0.3327527940273285 } }, { "source": "CID:3728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "iodoquinol-MM77 similarity", "source_label": "iodoquinol", "target_label": "MM77", "cosine_similarity": 0.4759846031665802 } }, { "source": "CID:44577753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "ML-347-adenosine similarity", "source_label": "ML-347", "target_label": "adenosine", "cosine_similarity": 0.237250417470932 } }, { "source": "CID:6334600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "hyoscyamine-BMS-641988 similarity", "source_label": "hyoscyamine", "target_label": "BMS-641988", "cosine_similarity": 0.3040962517261505 } }, { "source": "CID:38081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "flunixin-T-0156 similarity", "source_label": "flunixin", "target_label": "T-0156", "cosine_similarity": 0.4525612592697143 } }, { "source": "CID:24069689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353685", "properties": { "id": "mocimycin-I-OMe-AG-538 similarity", "source_label": "mocimycin", "target_label": "I-OMe-AG-538", "cosine_similarity": 0.2480408400297165 } }, { "source": "CID:3604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6215", "properties": { "id": "hexamethonium-fluocinolone similarity", "source_label": "hexamethonium", "target_label": "fluocinolone", "cosine_similarity": 0.1775279343128204 } }, { "source": "CID:2442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "bromhexine-riluzole similarity", "source_label": "bromhexine", "target_label": "riluzole", "cosine_similarity": 0.3011612296104431 } }, { "source": "CID:1048267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ML-161-FTI-276 similarity", "source_label": "ML-161", "target_label": "FTI-276", "cosine_similarity": 0.4913534820079803 } }, { "source": "CID:54659991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-1456576-SA-1457188 similarity", "source_label": "SA-1456576", "target_label": "SA-1457188", "cosine_similarity": 0.3082128465175628 } }, { "source": "CID:2196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918409", "properties": { "id": "aniracetam-CO-101244 similarity", "source_label": "aniracetam", "target_label": "CO-101244", "cosine_similarity": 0.4107949137687683 } }, { "source": "CID:25067890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9961192", "properties": { "id": "RK-682-L-161982 similarity", "source_label": "RK-682", "target_label": "L-161982", "cosine_similarity": 0.3444014191627502 } }, { "source": "CID:1548076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680411", "properties": { "id": "STK-721917-AT1-SHH-29 similarity", "source_label": "STK-721917", "target_label": "AT1-SHH-29", "cosine_similarity": 0.2519966065883636 } }, { "source": "CID:49848070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "taladegib-estramustine-phosphate similarity", "source_label": "taladegib", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4109064936637878 } }, { "source": "CID:3961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "losartan-lenalidomide similarity", "source_label": "losartan", "target_label": "lenalidomide", "cosine_similarity": 0.4648298919200897 } }, { "source": "CID:5362440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "indinavir-lorazepam similarity", "source_label": "indinavir", "target_label": "lorazepam", "cosine_similarity": 0.5889394283294678 } }, { "source": "CID:43345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "P-1075-FTI-276 similarity", "source_label": "P-1075", "target_label": "FTI-276", "cosine_similarity": 0.2934467494487762 } }, { "source": "CID:49846579", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "GDC-0199-bicalutamide similarity", "source_label": "GDC-0199", "target_label": "bicalutamide", "cosine_similarity": 0.4427327215671539 } }, { "source": "CID:9847023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702069", "properties": { "id": "prednisolone-hemisuccinate-hydrocortisone-hemisuccinate similarity", "source_label": "prednisolone-hemisuccinate", "target_label": "hydrocortisone-hemisuccinate", "cosine_similarity": 0.3478289842605591 } }, { "source": "CID:774", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "histamine-sofalcone similarity", "source_label": "histamine", "target_label": "sofalcone", "cosine_similarity": 0.495462417602539 } }, { "source": "CID:15443", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756791", "properties": { "id": "azaperone-Ro-08-2750 similarity", "source_label": "azaperone", "target_label": "Ro-08-2750", "cosine_similarity": 0.2628054618835449 } }, { "source": "CID:135565545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67077825", "properties": { "id": "PF-477736-AZD-7762 similarity", "source_label": "PF-477736", "target_label": "AZD-7762", "cosine_similarity": 0.5323193073272705 } }, { "source": "CID:54657758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657716", "properties": { "id": "SA-1459020-SA-1457472 similarity", "source_label": "SA-1459020", "target_label": "SA-1457472", "cosine_similarity": 0.2537837922573089 } }, { "source": "CID:11313361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:168182", "properties": { "id": "JNJ-16259685-valyltryptophan similarity", "source_label": "JNJ-16259685", "target_label": "valyltryptophan", "cosine_similarity": 0.2454673200845718 } }, { "source": "CID:54657693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "SA-1973509-CAY-10618 similarity", "source_label": "SA-1973509", "target_label": "CAY-10618", "cosine_similarity": 0.4357310533523559 } }, { "source": "CID:9819927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "LY-341495-bucladesine similarity", "source_label": "LY-341495", "target_label": "bucladesine", "cosine_similarity": 0.2631070613861084 } }, { "source": "CID:127404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "isamoltane-PT-630 similarity", "source_label": "isamoltane", "target_label": "PT-630", "cosine_similarity": 0.2940120995044708 } }, { "source": "CID:4342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "acecainide-labetalol similarity", "source_label": "acecainide", "target_label": "labetalol", "cosine_similarity": 0.332896739244461 } }, { "source": "CID:2685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "CGP-20712-promazine similarity", "source_label": "CGP-20712", "target_label": "promazine", "cosine_similarity": 0.2567043304443359 } }, { "source": "CID:71350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7079134", "properties": { "id": "cinalukast-JAS07-001 similarity", "source_label": "cinalukast", "target_label": "JAS07-001", "cosine_similarity": 0.2067506909370422 } }, { "source": "CID:16759155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "DAU-5884-epicatechin similarity", "source_label": "DAU-5884", "target_label": "epicatechin", "cosine_similarity": 0.2861078679561615 } }, { "source": "CID:5328807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1049140", "properties": { "id": "tyrphostin-51-ST-4042556 similarity", "source_label": "tyrphostin-51", "target_label": "ST-4042556", "cosine_similarity": 0.2625614106655121 } }, { "source": "CID:16133851", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "triptorelin-alaproclate similarity", "source_label": "triptorelin", "target_label": "alaproclate", "cosine_similarity": 0.3219406008720398 } }, { "source": "CID:9880620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "piroxicam-temozolomide similarity", "source_label": "piroxicam", "target_label": "temozolomide", "cosine_similarity": 0.314034104347229 } }, { "source": "CID:104956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "SKF-96365-HMN-214 similarity", "source_label": "SKF-96365", "target_label": "HMN-214", "cosine_similarity": 0.655013918876648 } }, { "source": "CID:101533602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54617432", "properties": { "id": "merbromin-SA-424380 similarity", "source_label": "merbromin", "target_label": "SA-424380", "cosine_similarity": 0.1631793677806854 } }, { "source": "CID:71317558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "niguldipine-terfenadine similarity", "source_label": "niguldipine", "target_label": "terfenadine", "cosine_similarity": 0.6297248005867004 } }, { "source": "CID:446157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "rosuvastatin-dorzolamide similarity", "source_label": "rosuvastatin", "target_label": "dorzolamide", "cosine_similarity": 0.3763012886047363 } }, { "source": "CID:31101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34040", "properties": { "id": "bromocriptine-nicergoline similarity", "source_label": "bromocriptine", "target_label": "nicergoline", "cosine_similarity": 0.3453271985054016 } }, { "source": "CID:60511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "remacemide-cefixime similarity", "source_label": "remacemide", "target_label": "cefixime", "cosine_similarity": 0.3475124835968017 } }, { "source": "CID:54657755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "SA-1459830-BG-STK33-55 similarity", "source_label": "SA-1459830", "target_label": "BG-STK33-55", "cosine_similarity": 0.2618009746074676 } }, { "source": "CID:5282136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10182969", "properties": { "id": "lafutidine-apixaban similarity", "source_label": "lafutidine", "target_label": "apixaban", "cosine_similarity": 0.4394916892051697 } }, { "source": "CID:9828911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3325", "properties": { "id": "anamorelin-famotidine similarity", "source_label": "anamorelin", "target_label": "famotidine", "cosine_similarity": 0.2973895668983459 } }, { "source": "CID:73265214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398506", "properties": { "id": "QL-XI-92-SB-590885 similarity", "source_label": "QL-XI-92", "target_label": "SB-590885", "cosine_similarity": 0.3121882975101471 } }, { "source": "CID:25226117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "HG-5-88-01-molsidomine similarity", "source_label": "HG-5-88-01", "target_label": "molsidomine", "cosine_similarity": 0.3422801494598388 } }, { "source": "CID:62824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "ICI-63197-rolipram similarity", "source_label": "ICI-63197", "target_label": "rolipram", "cosine_similarity": 0.3821524679660797 } }, { "source": "CID:9549298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "IKK-16-obatoclax similarity", "source_label": "IKK-16", "target_label": "obatoclax", "cosine_similarity": 0.4448021948337555 } }, { "source": "CID:54657714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "SA-1457305-SA-1457336 similarity", "source_label": "SA-1457305", "target_label": "SA-1457336", "cosine_similarity": 0.3519546389579773 } }, { "source": "CID:5323714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "furazolidone-DMNB similarity", "source_label": "furazolidone", "target_label": "DMNB", "cosine_similarity": 0.5399389266967773 } }, { "source": "CID:442530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:435678", "properties": { "id": "ochratoxin-a-HLI-373 similarity", "source_label": "ochratoxin-a", "target_label": "HLI-373", "cosine_similarity": 0.291416585445404 } }, { "source": "CID:670967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3780913", "properties": { "id": "ST-019365-ST-019386 similarity", "source_label": "ST-019365", "target_label": "ST-019386", "cosine_similarity": 0.2096064686775207 } }, { "source": "CID:9705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "AY-9944-CAY-10594 similarity", "source_label": "AY-9944", "target_label": "CAY-10594", "cosine_similarity": 0.4730513393878937 } }, { "source": "CID:6710741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "baeomycesic-acid-azathioprine similarity", "source_label": "baeomycesic-acid", "target_label": "azathioprine", "cosine_similarity": 0.2301291227340698 } }, { "source": "CID:72967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "isonicotinohydroxamic-acid-lenalidomide similarity", "source_label": "isonicotinohydroxamic-acid", "target_label": "lenalidomide", "cosine_similarity": 0.3284471333026886 } }, { "source": "CID:4996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "pyroxamide-vorinostat similarity", "source_label": "pyroxamide", "target_label": "vorinostat", "cosine_similarity": 0.56501704454422 } }, { "source": "CID:51576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "acifran-apafant similarity", "source_label": "acifran", "target_label": "apafant", "cosine_similarity": 0.5262219309806824 } }, { "source": "CID:5278396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "KU-55933-imiloxan similarity", "source_label": "KU-55933", "target_label": "imiloxan", "cosine_similarity": 0.3608323037624359 } }, { "source": "CID:5757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "estradiol-lenalidomide similarity", "source_label": "estradiol", "target_label": "lenalidomide", "cosine_similarity": 0.394998699426651 } }, { "source": "CID:68591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "toltrazuril-DAC-012 similarity", "source_label": "toltrazuril", "target_label": "DAC-012", "cosine_similarity": 0.2861292958259582 } }, { "source": "CID:11644425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "CGP-57380-vemurafenib similarity", "source_label": "CGP-57380", "target_label": "vemurafenib", "cosine_similarity": 0.5424636602401733 } }, { "source": "CID:5215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "sulfadiazine-fisetin similarity", "source_label": "sulfadiazine", "target_label": "fisetin", "cosine_similarity": 0.3045267164707184 } }, { "source": "CID:5132514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "L-690488-dexamethasone similarity", "source_label": "L-690488", "target_label": "dexamethasone", "cosine_similarity": 0.3628193736076355 } }, { "source": "CID:73707549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1010-BG-1032 similarity", "source_label": "BG-1010", "target_label": "BG-1032", "cosine_similarity": 0.4723448157310486 } }, { "source": "CID:6212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "chloroform-enzastaurin similarity", "source_label": "chloroform", "target_label": "enzastaurin", "cosine_similarity": 0.2483448535203933 } }, { "source": "CID:44607591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602404", "properties": { "id": "KU-C104142-KU-C104133 similarity", "source_label": "KU-C104142", "target_label": "KU-C104133", "cosine_similarity": 0.3224295973777771 } }, { "source": "CID:115368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6410758", "properties": { "id": "perospirone-cefatrizine similarity", "source_label": "perospirone", "target_label": "cefatrizine", "cosine_similarity": 0.2369296252727508 } }, { "source": "CID:44630541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259137", "properties": { "id": "KU-C104253-VU-0415011 similarity", "source_label": "KU-C104253", "target_label": "VU-0415011", "cosine_similarity": 0.2404151707887649 } }, { "source": "CID:42628535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810884", "properties": { "id": "XMD-1185H-Y-39983 similarity", "source_label": "XMD-1185H", "target_label": "Y-39983", "cosine_similarity": 0.3695138394832611 } }, { "source": "CID:46742340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "VU-0418934-2-VU-0418946-1 similarity", "source_label": "VU-0418934-2", "target_label": "VU-0418946-1", "cosine_similarity": 0.8709531426429749 } }, { "source": "CID:5510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "tolnaftate-dipyridamole similarity", "source_label": "tolnaftate", "target_label": "dipyridamole", "cosine_similarity": 0.554495632648468 } }, { "source": "CID:10385095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "MST-312-SC-144 similarity", "source_label": "MST-312", "target_label": "SC-144", "cosine_similarity": 0.3890732824802398 } }, { "source": "CID:44488330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658535", "properties": { "id": "SA-85148-SA-1459975 similarity", "source_label": "SA-85148", "target_label": "SA-1459975", "cosine_similarity": 0.3987714648246765 } }, { "source": "CID:11646823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "CTEP-AZD-5363 similarity", "source_label": "CTEP", "target_label": "AZD-5363", "cosine_similarity": 0.2072020322084427 } }, { "source": "CID:2790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "clobenpropit-hydrocortisone-acetate similarity", "source_label": "clobenpropit", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.2999114394187927 } }, { "source": "CID:5468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "tiaprofenic-acid-levosulpiride similarity", "source_label": "tiaprofenic-acid", "target_label": "levosulpiride", "cosine_similarity": 0.2509303390979767 } }, { "source": "CID:54666596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-1920453-SA-441181 similarity", "source_label": "SA-1920453", "target_label": "SA-441181", "cosine_similarity": 0.282267153263092 } }, { "source": "CID:11784736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "Y-134-RS-17053 similarity", "source_label": "Y-134", "target_label": "RS-17053", "cosine_similarity": 0.5995840430259705 } }, { "source": "CID:2819993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "P-5091-BG-FA-0953 similarity", "source_label": "P-5091", "target_label": "BG-FA-0953", "cosine_similarity": 0.3314409554004669 } }, { "source": "CID:1046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "pyrazinamide-probucol similarity", "source_label": "pyrazinamide", "target_label": "probucol", "cosine_similarity": 0.3308577835559845 } }, { "source": "CID:135659046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "salermide-I-070759 similarity", "source_label": "salermide", "target_label": "I-070759", "cosine_similarity": 0.5330905914306641 } }, { "source": "CID:6093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72430", "properties": { "id": "niridazole-MDL-28170 similarity", "source_label": "niridazole", "target_label": "MDL-28170", "cosine_similarity": 0.2522534132003784 } }, { "source": "CID:2153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "theophylline-thalidomide similarity", "source_label": "theophylline", "target_label": "thalidomide", "cosine_similarity": 0.3121201395988464 } }, { "source": "CID:4893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "prazosin-sumatriptan similarity", "source_label": "prazosin", "target_label": "sumatriptan", "cosine_similarity": 0.2580493986606598 } }, { "source": "CID:2481", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "butalbital-naloxone similarity", "source_label": "butalbital", "target_label": "naloxone", "cosine_similarity": 0.2582471072673797 } }, { "source": "CID:66577006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "KIN001-270-marbofloxacin similarity", "source_label": "KIN001-270", "target_label": "marbofloxacin", "cosine_similarity": 0.4209741055965423 } }, { "source": "CID:6443013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "HO-013-XAV-939 similarity", "source_label": "HO-013", "target_label": "XAV-939", "cosine_similarity": 0.389570951461792 } }, { "source": "CID:49835877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44473128", "properties": { "id": "BJM-AF-64-KU-C103672 similarity", "source_label": "BJM-AF-64", "target_label": "KU-C103672", "cosine_similarity": 0.2359157800674438 } }, { "source": "CID:3758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5245", "properties": { "id": "IBMX-risedronate similarity", "source_label": "IBMX", "target_label": "risedronate", "cosine_similarity": 0.2097390741109848 } }, { "source": "CID:5284549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "dorzolamide-vortioxetine similarity", "source_label": "dorzolamide", "target_label": "vortioxetine", "cosine_similarity": 0.488184243440628 } }, { "source": "CID:2728620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "RJC-00245SC-heliomycin similarity", "source_label": "RJC-00245SC", "target_label": "heliomycin", "cosine_similarity": 0.6181955337524414 } }, { "source": "CID:3463933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4914", "properties": { "id": "FH-535-procaine similarity", "source_label": "FH-535", "target_label": "procaine", "cosine_similarity": 0.1953395754098892 } }, { "source": "CID:454216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "valrubicin-doxorubicin similarity", "source_label": "valrubicin", "target_label": "doxorubicin", "cosine_similarity": 0.6182681918144226 } }, { "source": "CID:11676786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "AZ-628-trametinib similarity", "source_label": "AZ-628", "target_label": "trametinib", "cosine_similarity": 0.8107016682624817 } }, { "source": "CID:129989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "AQ-RA741-Gly-Gly-PALO similarity", "source_label": "AQ-RA741", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.229667380452156 } }, { "source": "CID:4174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "metyrapone-valproic-acid similarity", "source_label": "metyrapone", "target_label": "valproic-acid", "cosine_similarity": 0.2791658937931061 } }, { "source": "CID:44483269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216305", "properties": { "id": "atovaquone-alagebrium similarity", "source_label": "atovaquone", "target_label": "alagebrium", "cosine_similarity": 0.3914976716041565 } }, { "source": "CID:208901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "tesaglitazar-aminoguanidine similarity", "source_label": "tesaglitazar", "target_label": "aminoguanidine", "cosine_similarity": 0.4086156785488128 } }, { "source": "CID:9904854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "R-112-vemurafenib similarity", "source_label": "R-112", "target_label": "vemurafenib", "cosine_similarity": 0.4768450558185577 } }, { "source": "CID:6453092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "isorotenone-KU-C104493 similarity", "source_label": "isorotenone", "target_label": "KU-C104493", "cosine_similarity": 0.334293782711029 } }, { "source": "CID:629852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156314", "properties": { "id": "BML-257-dipropyl-5ct similarity", "source_label": "BML-257", "target_label": "dipropyl-5ct", "cosine_similarity": 0.2255308330059051 } }, { "source": "CID:9882972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "PS-178990-desoxypeganine similarity", "source_label": "PS-178990", "target_label": "desoxypeganine", "cosine_similarity": 0.3560638427734375 } }, { "source": "CID:9824562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "andarine-riluzole similarity", "source_label": "andarine", "target_label": "riluzole", "cosine_similarity": 0.3302324712276459 } }, { "source": "CID:134018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "febuxostat-lorcaserin similarity", "source_label": "febuxostat", "target_label": "lorcaserin", "cosine_similarity": 0.3576230108737945 } }, { "source": "CID:644030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:97807", "properties": { "id": "DY-131-safrolglycol similarity", "source_label": "DY-131", "target_label": "safrolglycol", "cosine_similarity": 0.270270437002182 } }, { "source": "CID:4849", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "piretanide-loxoprofen similarity", "source_label": "piretanide", "target_label": "loxoprofen", "cosine_similarity": 0.4026698172092438 } }, { "source": "CID:67077825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "AZD-7762-BMS-754807 similarity", "source_label": "AZD-7762", "target_label": "BMS-754807", "cosine_similarity": 0.42111337184906 } }, { "source": "CID:44607965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886613", "properties": { "id": "AMZ-30-BG-1031 similarity", "source_label": "AMZ-30", "target_label": "BG-1031", "cosine_similarity": 0.2153512388467788 } }, { "source": "CID:152946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "moxifloxacin-PT-630 similarity", "source_label": "moxifloxacin", "target_label": "PT-630", "cosine_similarity": 0.4436343312263489 } }, { "source": "CID:42433517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "baicalin-hypericin similarity", "source_label": "baicalin", "target_label": "hypericin", "cosine_similarity": 0.279956579208374 } }, { "source": "CID:16667717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702106", "properties": { "id": "alclometasone-prednisolone similarity", "source_label": "alclometasone", "target_label": "prednisolone", "cosine_similarity": 0.3444177210330963 } }, { "source": "CID:5475158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "cinanserin-monocrotaline similarity", "source_label": "cinanserin", "target_label": "monocrotaline", "cosine_similarity": 0.2694499492645263 } }, { "source": "CID:5353431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "BAY-11-7082-NSC-632839 similarity", "source_label": "BAY-11-7082", "target_label": "NSC-632839", "cosine_similarity": 0.6547539830207825 } }, { "source": "CID:9989505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "immethridine-gatifloxacin similarity", "source_label": "immethridine", "target_label": "gatifloxacin", "cosine_similarity": 0.3274756073951721 } }, { "source": "CID:6610300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "dichlorobenzamil-wortmannin similarity", "source_label": "dichlorobenzamil", "target_label": "wortmannin", "cosine_similarity": 0.5918127298355103 } }, { "source": "CID:8421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:175805", "properties": { "id": "homoveratrylamine-ropivacaine similarity", "source_label": "homoveratrylamine", "target_label": "ropivacaine", "cosine_similarity": 0.2434859871864318 } }, { "source": "CID:18496254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "lactotensin-glutamine similarity", "source_label": "lactotensin", "target_label": "glutamine", "cosine_similarity": 0.2154595851898193 } }, { "source": "CID:54654478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-1472548-SA-1462678 similarity", "source_label": "SA-1472548", "target_label": "SA-1462678", "cosine_similarity": 0.2720180451869964 } }, { "source": "CID:2481", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918456", "properties": { "id": "butalbital-prasugrel similarity", "source_label": "butalbital", "target_label": "prasugrel", "cosine_similarity": 0.3376861214637756 } }, { "source": "CID:11507802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "LY-2183240-CYT-997 similarity", "source_label": "LY-2183240", "target_label": "CYT-997", "cosine_similarity": 0.617200493812561 } }, { "source": "CID:24963252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44182295", "properties": { "id": "TAK-733-refametinib similarity", "source_label": "TAK-733", "target_label": "refametinib", "cosine_similarity": 0.7836212515830994 } }, { "source": "CID:7791937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1022-BG-1016 similarity", "source_label": "BG-1022", "target_label": "BG-1016", "cosine_similarity": 0.4123664796352386 } }, { "source": "CID:4495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "nimesulide-terbinafine similarity", "source_label": "nimesulide", "target_label": "terbinafine", "cosine_similarity": 0.3780547380447387 } }, { "source": "CID:99253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "SAL-1-darinaparsin similarity", "source_label": "SAL-1", "target_label": "darinaparsin", "cosine_similarity": 0.3769129812717438 } }, { "source": "CID:44508028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668627", "properties": { "id": "SA-247582-SA-1922659 similarity", "source_label": "SA-247582", "target_label": "SA-1922659", "cosine_similarity": 0.3505508303642273 } }, { "source": "CID:5369129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "kavain-coumarin similarity", "source_label": "kavain", "target_label": "coumarin", "cosine_similarity": 0.3179674446582794 } }, { "source": "CID:104842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "SN-38-genz-644282 similarity", "source_label": "SN-38", "target_label": "genz-644282", "cosine_similarity": 0.772810697555542 } }, { "source": "CID:9874913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "CP-724714-carbamazepine similarity", "source_label": "CP-724714", "target_label": "carbamazepine", "cosine_similarity": 0.3266274333000183 } }, { "source": "CID:1607628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "EMF-sumo1-3-CVF-SUMO-7 similarity", "source_label": "EMF-sumo1-3", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.4438231289386749 } }, { "source": "CID:10748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "herniarin-tenofovir similarity", "source_label": "herniarin", "target_label": "tenofovir", "cosine_similarity": 0.3490663766860962 } }, { "source": "CID:5329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "sulfamethoxazole-aspirin similarity", "source_label": "sulfamethoxazole", "target_label": "aspirin", "cosine_similarity": 0.2561225295066833 } }, { "source": "CID:129989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19003", "properties": { "id": "AQ-RA741-ciclacillin similarity", "source_label": "AQ-RA741", "target_label": "ciclacillin", "cosine_similarity": 0.2408308982849121 } }, { "source": "CID:6603897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602407", "properties": { "id": "L-750667-KU-C104230 similarity", "source_label": "L-750667", "target_label": "KU-C104230", "cosine_similarity": 0.2054693400859832 } }, { "source": "CID:4879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6697", "properties": { "id": "PP-3-benzanthrone similarity", "source_label": "PP-3", "target_label": "benzanthrone", "cosine_similarity": 0.2055673152208328 } }, { "source": "CID:213039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "darunavir-alizapride similarity", "source_label": "darunavir", "target_label": "alizapride", "cosine_similarity": 0.3594770133495331 } }, { "source": "CID:133633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "L-741626-FIT similarity", "source_label": "L-741626", "target_label": "FIT", "cosine_similarity": 0.4592837691307068 } }, { "source": "CID:4832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "pipenzolate-flumethasone-pivalate similarity", "source_label": "pipenzolate", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.6578267216682434 } }, { "source": "CID:9330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "benactyzine-gliclazide similarity", "source_label": "benactyzine", "target_label": "gliclazide", "cosine_similarity": 0.3796554207801819 } }, { "source": "CID:11404337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "obatoclax-tetrandrine similarity", "source_label": "obatoclax", "target_label": "tetrandrine", "cosine_similarity": 0.7100041508674622 } }, { "source": "CID:5215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "sulfadiazine-mannitol similarity", "source_label": "sulfadiazine", "target_label": "mannitol", "cosine_similarity": 0.2608548402786255 } }, { "source": "CID:54385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476", "properties": { "id": "levocabastine-glimepiride similarity", "source_label": "levocabastine", "target_label": "glimepiride", "cosine_similarity": 0.3819353580474853 } }, { "source": "CID:5756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3938007", "properties": { "id": "estriol-ZD-7288 similarity", "source_label": "estriol", "target_label": "ZD-7288", "cosine_similarity": 0.4361256957054138 } }, { "source": "CID:2063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "tyrphostin-1-UNC-0321 similarity", "source_label": "tyrphostin-1", "target_label": "UNC-0321", "cosine_similarity": 0.3596063256263733 } }, { "source": "CID:53387035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "LCQ-908-riluzole similarity", "source_label": "LCQ-908", "target_label": "riluzole", "cosine_similarity": 0.2517688572406769 } }, { "source": "CID:704473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "STF-62247-fluvastatin similarity", "source_label": "STF-62247", "target_label": "fluvastatin", "cosine_similarity": 0.3630136549472809 } }, { "source": "CID:6602442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "hydrocortisone-phosphate-halcinonide similarity", "source_label": "hydrocortisone-phosphate", "target_label": "halcinonide", "cosine_similarity": 0.3559970557689667 } }, { "source": "CID:5475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10168", "properties": { "id": "tilorone-rhein similarity", "source_label": "tilorone", "target_label": "rhein", "cosine_similarity": 0.3281436264514923 } }, { "source": "CID:1400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "PP-1-PP-2 similarity", "source_label": "PP-1", "target_label": "PP-2", "cosine_similarity": 0.4233604967594147 } }, { "source": "CID:5353609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "erbstatin-analog-pifithrin-mu similarity", "source_label": "erbstatin-analog", "target_label": "pifithrin-mu", "cosine_similarity": 0.451412945985794 } }, { "source": "CID:73707414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "nelfinavir-sorafenib similarity", "source_label": "nelfinavir", "target_label": "sorafenib", "cosine_similarity": 0.4604300856590271 } }, { "source": "CID:2471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "bumetanide-probucol similarity", "source_label": "bumetanide", "target_label": "probucol", "cosine_similarity": 0.4277437627315521 } }, { "source": "CID:44507299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54653980", "properties": { "id": "SA-247636-SA-1472321 similarity", "source_label": "SA-247636", "target_label": "SA-1472321", "cosine_similarity": 0.2806500196456909 } }, { "source": "CID:2727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "chlorpropamide-honokiol similarity", "source_label": "chlorpropamide", "target_label": "honokiol", "cosine_similarity": 0.530461847782135 } }, { "source": "CID:667601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "tyrphostin-47-tetrahydrouridine similarity", "source_label": "tyrphostin-47", "target_label": "tetrahydrouridine", "cosine_similarity": 0.2827288210391998 } }, { "source": "CID:2130404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "AGK-2-GNF-2 similarity", "source_label": "AGK-2", "target_label": "GNF-2", "cosine_similarity": 0.4015459418296814 } }, { "source": "CID:1894361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:598", "properties": { "id": "AMN-082-mesna similarity", "source_label": "AMN-082", "target_label": "mesna", "cosine_similarity": 0.2083566635847091 } }, { "source": "CID:68873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151932", "properties": { "id": "drospirenone-picolinic-acid similarity", "source_label": "drospirenone", "target_label": "picolinic-acid", "cosine_similarity": 0.2860041260719299 } }, { "source": "CID:2720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9642", "properties": { "id": "chlorothiazide-fluocinonide similarity", "source_label": "chlorothiazide", "target_label": "fluocinonide", "cosine_similarity": 0.1753399819135666 } }, { "source": "CID:3278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "etacrynic-acid-sulforaphane similarity", "source_label": "etacrynic-acid", "target_label": "sulforaphane", "cosine_similarity": 0.2658324539661407 } }, { "source": "CID:18721", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59588070", "properties": { "id": "apigenin-JNK-9L similarity", "source_label": "apigenin", "target_label": "JNK-9L", "cosine_similarity": 0.5132088661193848 } }, { "source": "CID:441401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "linezolid-LY-2886721 similarity", "source_label": "linezolid", "target_label": "LY-2886721", "cosine_similarity": 0.3137775063514709 } }, { "source": "CID:5702041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828429", "properties": { "id": "digitoxin-proscillaridin similarity", "source_label": "digitoxin", "target_label": "proscillaridin", "cosine_similarity": 0.7151581645011902 } }, { "source": "CID:5286565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "ST-4029573-MD-049 similarity", "source_label": "ST-4029573", "target_label": "MD-049", "cosine_similarity": 0.5411254167556763 } }, { "source": "CID:2904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1042895", "properties": { "id": "cyclopenthiazide-felamidin similarity", "source_label": "cyclopenthiazide", "target_label": "felamidin", "cosine_similarity": 0.2607526779174804 } }, { "source": "CID:5052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "mepireserpate-L-ergothioneine similarity", "source_label": "mepireserpate", "target_label": "L-ergothioneine", "cosine_similarity": 0.56179279088974 } }, { "source": "CID:44623844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "KU-C104228-pepstatin similarity", "source_label": "KU-C104228", "target_label": "pepstatin", "cosine_similarity": 0.3143941760063171 } }, { "source": "CID:3035714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "ABT-751-D-64131 similarity", "source_label": "ABT-751", "target_label": "D-64131", "cosine_similarity": 0.7948979735374451 } }, { "source": "CID:44112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51755", "properties": { "id": "bopindolol-fenticonazole similarity", "source_label": "bopindolol", "target_label": "fenticonazole", "cosine_similarity": 0.4198378324508667 } }, { "source": "CID:90488984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "I-CBP112-BG-1023 similarity", "source_label": "I-CBP112", "target_label": "BG-1023", "cosine_similarity": 0.1926491409540176 } }, { "source": "CID:13817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "benzopurpurin-4b-FTI-276 similarity", "source_label": "benzopurpurin-4b", "target_label": "FTI-276", "cosine_similarity": 0.3197087347507477 } }, { "source": "CID:46742340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742339", "properties": { "id": "VU-0418934-2-VU-0418933-1 similarity", "source_label": "VU-0418934-2", "target_label": "VU-0418933-1", "cosine_similarity": 0.799372136592865 } }, { "source": "CID:861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "rathyronine-BMS-191011 similarity", "source_label": "rathyronine", "target_label": "BMS-191011", "cosine_similarity": 0.3437994718551636 } }, { "source": "CID:5360807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "lasalocid-amikacin similarity", "source_label": "lasalocid", "target_label": "amikacin", "cosine_similarity": 0.752145528793335 } }, { "source": "CID:4020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1646", "properties": { "id": "mazindol-tramiprosate similarity", "source_label": "mazindol", "target_label": "tramiprosate", "cosine_similarity": 0.33836230635643 } }, { "source": "CID:2724354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "dimercaptosuccinic-acid-L-ergothioneine similarity", "source_label": "dimercaptosuccinic-acid", "target_label": "L-ergothioneine", "cosine_similarity": 0.3192014694213867 } }, { "source": "CID:4487", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "nifenazone-SA-1457336 similarity", "source_label": "nifenazone", "target_label": "SA-1457336", "cosine_similarity": 0.22309410572052 } }, { "source": "CID:23418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "ormetoprim-resorcinol similarity", "source_label": "ormetoprim", "target_label": "resorcinol", "cosine_similarity": 0.1870288550853729 } }, { "source": "CID:44601473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59588070", "properties": { "id": "KU-C103898N-JNK-9L similarity", "source_label": "KU-C103898N", "target_label": "JNK-9L", "cosine_similarity": 0.2039408087730407 } }, { "source": "CID:1345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44456237", "properties": { "id": "PK-11195-SID-26681509 similarity", "source_label": "PK-11195", "target_label": "SID-26681509", "cosine_similarity": 0.3707709908485412 } }, { "source": "CID:5713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "YO-2-tamoxifen similarity", "source_label": "YO-2", "target_label": "tamoxifen", "cosine_similarity": 0.2239152491092682 } }, { "source": "CID:43345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "P-1075-NCS-382 similarity", "source_label": "P-1075", "target_label": "NCS-382", "cosine_similarity": 0.306902140378952 } }, { "source": "CID:3995234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4884", "properties": { "id": "FGIN-1-43-pralidoxime similarity", "source_label": "FGIN-1-43", "target_label": "pralidoxime", "cosine_similarity": 0.2866473197937011 } }, { "source": "CID:125564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "blonanserin-diclofenac similarity", "source_label": "blonanserin", "target_label": "diclofenac", "cosine_similarity": 0.330314040184021 } }, { "source": "CID:128563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5584", "properties": { "id": "salvinorin-a-trimipramine similarity", "source_label": "salvinorin-a", "target_label": "trimipramine", "cosine_similarity": 0.4226528704166412 } }, { "source": "CID:44490257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "SA-102607-myricetin similarity", "source_label": "SA-102607", "target_label": "myricetin", "cosine_similarity": 0.2497095614671707 } }, { "source": "CID:23789069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3289", "properties": { "id": "nitrarine-ethoprop similarity", "source_label": "nitrarine", "target_label": "ethoprop", "cosine_similarity": 0.2860148549079895 } }, { "source": "CID:56649450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "alpelisib-AZD-6482 similarity", "source_label": "alpelisib", "target_label": "AZD-6482", "cosine_similarity": 0.5412340760231018 } }, { "source": "CID:3401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54367", "properties": { "id": "flutrimazole-altanserin similarity", "source_label": "flutrimazole", "target_label": "altanserin", "cosine_similarity": 0.3683443367481231 } }, { "source": "CID:20507134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "isoxicam-PT-630 similarity", "source_label": "isoxicam", "target_label": "PT-630", "cosine_similarity": 0.322354793548584 } }, { "source": "CID:190901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4521392", "properties": { "id": "N-MPPP-SB-431542 similarity", "source_label": "N-MPPP", "target_label": "SB-431542", "cosine_similarity": 0.2175150513648986 } }, { "source": "CID:13025387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4203080", "properties": { "id": "ticarcillin-L-655708 similarity", "source_label": "ticarcillin", "target_label": "L-655708", "cosine_similarity": 0.2108835577964782 } }, { "source": "CID:24747189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "JAS07-004-morin similarity", "source_label": "JAS07-004", "target_label": "morin", "cosine_similarity": 0.2250548601150512 } }, { "source": "CID:3101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50515", "properties": { "id": "diphenyleneiodonium-amonafide similarity", "source_label": "diphenyleneiodonium", "target_label": "amonafide", "cosine_similarity": 0.3028369843959808 } }, { "source": "CID:3654103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7972413", "properties": { "id": "BRL-15572-KB188-III-56 similarity", "source_label": "BRL-15572", "target_label": "KB188-III-56", "cosine_similarity": 0.2142944633960724 } }, { "source": "CID:1355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "mCPP-metamizole similarity", "source_label": "mCPP", "target_label": "metamizole", "cosine_similarity": 0.4365684986114502 } }, { "source": "CID:9955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "2-aminopurine-thiazolopyrimidine similarity", "source_label": "2-aminopurine", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2534529566764831 } }, { "source": "CID:4302962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "AM-281-ABT-737 similarity", "source_label": "AM-281", "target_label": "ABT-737", "cosine_similarity": 0.16175177693367 } }, { "source": "CID:9952773", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "TAK-715-SB-239063 similarity", "source_label": "TAK-715", "target_label": "SB-239063", "cosine_similarity": 0.5321076512336731 } }, { "source": "CID:842059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445354", "properties": { "id": "BG-1023-retinol similarity", "source_label": "BG-1023", "target_label": "retinol", "cosine_similarity": 0.2990539073944092 } }, { "source": "CID:491941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "pritelivir-aminoguanidine similarity", "source_label": "pritelivir", "target_label": "aminoguanidine", "cosine_similarity": 0.5783590078353882 } }, { "source": "CID:3052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "diethylcarbamazine-thalidomide similarity", "source_label": "diethylcarbamazine", "target_label": "thalidomide", "cosine_similarity": 0.3855744302272796 } }, { "source": "CID:2728620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "RJC-00245SC-bithionol similarity", "source_label": "RJC-00245SC", "target_label": "bithionol", "cosine_similarity": 0.5958771109580994 } }, { "source": "CID:60184300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186845", "properties": { "id": "SA-1938867-SA-1938757 similarity", "source_label": "SA-1938867", "target_label": "SA-1938757", "cosine_similarity": 0.2977936863899231 } }, { "source": "CID:5284329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "purmorphamine-cytosporone-b similarity", "source_label": "purmorphamine", "target_label": "cytosporone-b", "cosine_similarity": 0.3484818637371063 } }, { "source": "CID:44483303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "gelsemine-RK-682 similarity", "source_label": "gelsemine", "target_label": "RK-682", "cosine_similarity": 0.3091834783554077 } }, { "source": "CID:5280360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "dinoprostone-YK-4279 similarity", "source_label": "dinoprostone", "target_label": "YK-4279", "cosine_similarity": 0.3305231034755707 } }, { "source": "CID:4032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "mecamylamine-fomepizole similarity", "source_label": "mecamylamine", "target_label": "fomepizole", "cosine_similarity": 0.4020614326000213 } }, { "source": "CID:24788740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "GDC-0068-AZD-5363 similarity", "source_label": "GDC-0068", "target_label": "AZD-5363", "cosine_similarity": 0.624825119972229 } }, { "source": "CID:54657758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666567", "properties": { "id": "SA-1459020-SA-1922261 similarity", "source_label": "SA-1459020", "target_label": "SA-1922261", "cosine_similarity": 0.267372578382492 } }, { "source": "CID:448014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9813758", "properties": { "id": "AR-A014418-BMS-345541 similarity", "source_label": "AR-A014418", "target_label": "BMS-345541", "cosine_similarity": 0.4168738722801208 } }, { "source": "CID:159603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "resiquimod-topiramate similarity", "source_label": "resiquimod", "target_label": "topiramate", "cosine_similarity": 0.2425762712955474 } }, { "source": "CID:3003565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59239165", "properties": { "id": "wortmannin-GDC-0349 similarity", "source_label": "wortmannin", "target_label": "GDC-0349", "cosine_similarity": 0.699126660823822 } }, { "source": "CID:9911830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68870", "properties": { "id": "tivozanib-tianeptine similarity", "source_label": "tivozanib", "target_label": "tianeptine", "cosine_similarity": 0.4161287546157837 } }, { "source": "CID:322968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "PRIMA1-losartan similarity", "source_label": "PRIMA1", "target_label": "losartan", "cosine_similarity": 0.5273842811584473 } }, { "source": "CID:3290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "profenamine-CAM-9-027-3 similarity", "source_label": "profenamine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.3609176874160766 } }, { "source": "CID:24771867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "alisertib-wortmannin similarity", "source_label": "alisertib", "target_label": "wortmannin", "cosine_similarity": 0.4818400740623474 } }, { "source": "CID:57340671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843772", "properties": { "id": "JWE-035-XMD-892 similarity", "source_label": "JWE-035", "target_label": "XMD-892", "cosine_similarity": 0.6163975596427917 } }, { "source": "CID:2749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "ciclopirox-SC-144 similarity", "source_label": "ciclopirox", "target_label": "SC-144", "cosine_similarity": 0.6372045874595642 } }, { "source": "CID:49843106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4574540", "properties": { "id": "ARG-CSC-26-IRL-2500 similarity", "source_label": "ARG-CSC-26", "target_label": "IRL-2500", "cosine_similarity": 0.2662815451622009 } }, { "source": "CID:3845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5073", "properties": { "id": "kynurenic-acid-risperidone similarity", "source_label": "kynurenic-acid", "target_label": "risperidone", "cosine_similarity": 0.2264652848243713 } }, { "source": "CID:6093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "niridazole-leu-enkephalin similarity", "source_label": "niridazole", "target_label": "leu-enkephalin", "cosine_similarity": 0.3381850719451904 } }, { "source": "CID:4277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4883", "properties": { "id": "dicyclohexylurea-practolol similarity", "source_label": "dicyclohexylurea", "target_label": "practolol", "cosine_similarity": 0.1991995871067047 } }, { "source": "CID:659031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "EMF-sumo1-11-EMF-sumo1-39 similarity", "source_label": "EMF-sumo1-11", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7973282933235168 } }, { "source": "CID:6604009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "SB-222200-inositol similarity", "source_label": "SB-222200", "target_label": "inositol", "cosine_similarity": 0.3784944117069244 } }, { "source": "CID:5053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5334", "properties": { "id": "resmethrin-sulfanitran similarity", "source_label": "resmethrin", "target_label": "sulfanitran", "cosine_similarity": 0.2070063948631286 } }, { "source": "CID:54659373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659352", "properties": { "id": "SA-1456305-SA-1455884 similarity", "source_label": "SA-1456305", "target_label": "SA-1455884", "cosine_similarity": 0.3676264882087707 } }, { "source": "CID:26987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "clemastine-BIBU-1361 similarity", "source_label": "clemastine", "target_label": "BIBU-1361", "cosine_similarity": 0.5936992168426514 } }, { "source": "CID:6918508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9933475", "properties": { "id": "BIBX-1382-cediranib similarity", "source_label": "BIBX-1382", "target_label": "cediranib", "cosine_similarity": 0.4965926706790924 } }, { "source": "CID:441728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "deltaline-fumonisin-b1 similarity", "source_label": "deltaline", "target_label": "fumonisin-b1", "cosine_similarity": 0.3124082684516907 } }, { "source": "CID:71077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "D-serine-grazoprevir similarity", "source_label": "D-serine", "target_label": "grazoprevir", "cosine_similarity": 0.4828087091445923 } }, { "source": "CID:45376076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3682562", "properties": { "id": "RN-1-BG-1001 similarity", "source_label": "RN-1", "target_label": "BG-1001", "cosine_similarity": 0.2178387939929962 } }, { "source": "CID:9865515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "mocetinostat-BML-210 similarity", "source_label": "mocetinostat", "target_label": "BML-210", "cosine_similarity": 0.5509167909622192 } }, { "source": "CID:6604749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "L-689560-PT-630 similarity", "source_label": "L-689560", "target_label": "PT-630", "cosine_similarity": 0.332449197769165 } }, { "source": "CID:2183264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "MW-STK33-3A-diclofenac similarity", "source_label": "MW-STK33-3A", "target_label": "diclofenac", "cosine_similarity": 0.2517283260822296 } }, { "source": "CID:691868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "ST-4029010-DL-TBOA similarity", "source_label": "ST-4029010", "target_label": "DL-TBOA", "cosine_similarity": 0.3226947784423828 } }, { "source": "CID:2165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "amodiaquine-nafamostat similarity", "source_label": "amodiaquine", "target_label": "nafamostat", "cosine_similarity": 0.378128707408905 } }, { "source": "CID:5154691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "NM-PP1-L-ergothioneine similarity", "source_label": "NM-PP1", "target_label": "L-ergothioneine", "cosine_similarity": 0.483379602432251 } }, { "source": "CID:31703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4212", "properties": { "id": "doxorubicin-mitoxantrone similarity", "source_label": "doxorubicin", "target_label": "mitoxantrone", "cosine_similarity": 0.8193166255950928 } }, { "source": "CID:667550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "dexketoprofen-CGP-71683 similarity", "source_label": "dexketoprofen", "target_label": "CGP-71683", "cosine_similarity": 0.3301469683647156 } }, { "source": "CID:9884685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "PI-103-NVP-BEZ235 similarity", "source_label": "PI-103", "target_label": "NVP-BEZ235", "cosine_similarity": 0.8481675386428833 } }, { "source": "CID:3111211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2415", "properties": { "id": "ML-213-BML-190 similarity", "source_label": "ML-213", "target_label": "BML-190", "cosine_similarity": 0.2352334111928939 } }, { "source": "CID:54657718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604928", "properties": { "id": "SA-1456456-GS-39783 similarity", "source_label": "SA-1456456", "target_label": "GS-39783", "cosine_similarity": 0.2075860649347305 } }, { "source": "CID:1853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "phenanthridone-DR-2313 similarity", "source_label": "phenanthridone", "target_label": "DR-2313", "cosine_similarity": 0.3978156149387359 } }, { "source": "CID:135883127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3785", "properties": { "id": "BG-1017-itdac-1 similarity", "source_label": "BG-1017", "target_label": "itdac-1", "cosine_similarity": 0.3176831901073456 } }, { "source": "CID:5280805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275777", "properties": { "id": "rutin-betrixaban similarity", "source_label": "rutin", "target_label": "betrixaban", "cosine_similarity": 0.3856277763843536 } }, { "source": "CID:6603901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "L-2167-PT-630 similarity", "source_label": "L-2167", "target_label": "PT-630", "cosine_similarity": 0.2778681516647339 } }, { "source": "CID:3538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "GYKI-52466-JZL-184 similarity", "source_label": "GYKI-52466", "target_label": "JZL-184", "cosine_similarity": 0.2761339247226715 } }, { "source": "CID:6708532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707395", "properties": { "id": "methyl-angolensate-rhizocarpic-acid similarity", "source_label": "methyl-angolensate", "target_label": "rhizocarpic-acid", "cosine_similarity": 0.1862937659025192 } }, { "source": "CID:46215815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "GSK-2334470-AZD-8055 similarity", "source_label": "GSK-2334470", "target_label": "AZD-8055", "cosine_similarity": 0.6550411581993103 } }, { "source": "CID:45100448", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109823", "properties": { "id": "ML-179-AS-601245 similarity", "source_label": "ML-179", "target_label": "AS-601245", "cosine_similarity": 0.3418050706386566 } }, { "source": "CID:5707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "xylazine-rimexolone similarity", "source_label": "xylazine", "target_label": "rimexolone", "cosine_similarity": 0.3284787535667419 } }, { "source": "CID:5775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708742", "properties": { "id": "phentolamine-inosine similarity", "source_label": "phentolamine", "target_label": "inosine", "cosine_similarity": 0.2607111930847168 } }, { "source": "CID:73707400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483932", "properties": { "id": "SA-1460136-SA-423862 similarity", "source_label": "SA-1460136", "target_label": "SA-423862", "cosine_similarity": 0.2651418149471283 } }, { "source": "CID:6477762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "NSC-632839-manumycin-a similarity", "source_label": "NSC-632839", "target_label": "manumycin-a", "cosine_similarity": 0.8565149307250977 } }, { "source": "CID:5362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503093", "properties": { "id": "suxibuzone-SA-246522 similarity", "source_label": "suxibuzone", "target_label": "SA-246522", "cosine_similarity": 0.1961257010698318 } }, { "source": "CID:44591583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24794418", "properties": { "id": "AN-2728-BMS-777607 similarity", "source_label": "AN-2728", "target_label": "BMS-777607", "cosine_similarity": 0.1809165030717849 } }, { "source": "CID:25419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40634", "properties": { "id": "clodronic-acid-trolox similarity", "source_label": "clodronic-acid", "target_label": "trolox", "cosine_similarity": 0.2329515516757965 } }, { "source": "CID:8378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5501", "properties": { "id": "neomycin-todralazine similarity", "source_label": "neomycin", "target_label": "todralazine", "cosine_similarity": 0.1904419064521789 } }, { "source": "CID:9549289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "TWS-119-zebularine similarity", "source_label": "TWS-119", "target_label": "zebularine", "cosine_similarity": 0.4241414368152618 } }, { "source": "CID:3994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353852", "properties": { "id": "M-344-oxamflatin similarity", "source_label": "M-344", "target_label": "oxamflatin", "cosine_similarity": 0.626021683216095 } }, { "source": "CID:4735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3157", "properties": { "id": "pentamidine-doxazosin similarity", "source_label": "pentamidine", "target_label": "doxazosin", "cosine_similarity": 0.3410203754901886 } }, { "source": "CID:5280704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "cosmosiin-dictamnine similarity", "source_label": "cosmosiin", "target_label": "dictamnine", "cosine_similarity": 0.3458189964294433 } }, { "source": "CID:1549008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "terbinafine-losmapimod similarity", "source_label": "terbinafine", "target_label": "losmapimod", "cosine_similarity": 0.3857399225234985 } }, { "source": "CID:44492086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3517", "properties": { "id": "SD-8-006-guanabenz similarity", "source_label": "SD-8-006", "target_label": "guanabenz", "cosine_similarity": 0.2945736348628998 } }, { "source": "CID:53389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "rimcazole-trifluoperazine similarity", "source_label": "rimcazole", "target_label": "trifluoperazine", "cosine_similarity": 0.5355662107467651 } }, { "source": "CID:49871818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "JQ-1-R-UNC-1215 similarity", "source_label": "JQ-1-R", "target_label": "UNC-1215", "cosine_similarity": 0.3921016156673431 } }, { "source": "CID:44483336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "fluticasone-beclomethasone-dipropionate similarity", "source_label": "fluticasone", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.4196433126926422 } }, { "source": "CID:3293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2712", "properties": { "id": "ethoxyquin-chlordiazepoxide similarity", "source_label": "ethoxyquin", "target_label": "chlordiazepoxide", "cosine_similarity": 0.191330075263977 } }, { "source": "CID:5228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "SKF-86002-methylprednisolone similarity", "source_label": "SKF-86002", "target_label": "methylprednisolone", "cosine_similarity": 0.3201532661914825 } }, { "source": "CID:6604381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "tyloxapol-wortmannin similarity", "source_label": "tyloxapol", "target_label": "wortmannin", "cosine_similarity": 0.3914486765861511 } }, { "source": "CID:5281078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "mycophenolate-mofetil-floxuridine similarity", "source_label": "mycophenolate-mofetil", "target_label": "floxuridine", "cosine_similarity": 0.5233529210090637 } }, { "source": "CID:23748511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "III606050-rhodomyrtoxin-b similarity", "source_label": "III606050", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.354430615901947 } }, { "source": "CID:9804992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "givinostat-PCI-24781 similarity", "source_label": "givinostat", "target_label": "PCI-24781", "cosine_similarity": 0.6741589903831482 } }, { "source": "CID:73707445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "nicardipine-RK-682 similarity", "source_label": "nicardipine", "target_label": "RK-682", "cosine_similarity": 0.2877433598041534 } }, { "source": "CID:9869929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "avanafil-probucol similarity", "source_label": "avanafil", "target_label": "probucol", "cosine_similarity": 0.338427722454071 } }, { "source": "CID:9604993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "DMeOB-prostaglandin-a1 similarity", "source_label": "DMeOB", "target_label": "prostaglandin-a1", "cosine_similarity": 0.2558422088623047 } }, { "source": "CID:3478439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "fulvestrant-SA-1921456 similarity", "source_label": "fulvestrant", "target_label": "SA-1921456", "cosine_similarity": 0.2930176854133606 } }, { "source": "CID:2930014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "K-858-parbendazole similarity", "source_label": "K-858", "target_label": "parbendazole", "cosine_similarity": 0.6025928258895874 } }, { "source": "CID:305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39186", "properties": { "id": "choline-diltiazem similarity", "source_label": "choline", "target_label": "diltiazem", "cosine_similarity": 0.2055527716875076 } }, { "source": "CID:5440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462758", "properties": { "id": "thiethylperazine-PRT-062607 similarity", "source_label": "thiethylperazine", "target_label": "PRT-062607", "cosine_similarity": 0.2061219215393066 } }, { "source": "CID:16038120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57390074", "properties": { "id": "NVP-TAE684-AP-26113 similarity", "source_label": "NVP-TAE684", "target_label": "AP-26113", "cosine_similarity": 0.4497382938861847 } }, { "source": "CID:54657734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-1459173-SA-1456625 similarity", "source_label": "SA-1459173", "target_label": "SA-1456625", "cosine_similarity": 0.346005231142044 } }, { "source": "CID:5191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "SDZ-205-557-BMS-641988 similarity", "source_label": "SDZ-205-557", "target_label": "BMS-641988", "cosine_similarity": 0.2647584676742553 } }, { "source": "CID:3085219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3001055", "properties": { "id": "mirtazapine-ranitidine similarity", "source_label": "mirtazapine", "target_label": "ranitidine", "cosine_similarity": 0.4403147995471954 } }, { "source": "CID:4449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "nefazodone-taranabant similarity", "source_label": "nefazodone", "target_label": "taranabant", "cosine_similarity": 0.4389854669570923 } }, { "source": "CID:44589607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "7b-cis-NSC-632839 similarity", "source_label": "7b-cis", "target_label": "NSC-632839", "cosine_similarity": 0.7361994385719299 } }, { "source": "CID:4967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "prothionamide-GSK-429286A similarity", "source_label": "prothionamide", "target_label": "GSK-429286A", "cosine_similarity": 0.2411115914583206 } }, { "source": "CID:118176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4021", "properties": { "id": "centpropazine-edaravone similarity", "source_label": "centpropazine", "target_label": "edaravone", "cosine_similarity": 0.2226365357637405 } }, { "source": "CID:65015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "plerixafor-resatorvid similarity", "source_label": "plerixafor", "target_label": "resatorvid", "cosine_similarity": 0.3020415604114532 } }, { "source": "CID:44494782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-96816-SA-1455938 similarity", "source_label": "SA-96816", "target_label": "SA-1455938", "cosine_similarity": 0.4065378308296203 } }, { "source": "CID:25134326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "ASP-3026-BMS-536924 similarity", "source_label": "ASP-3026", "target_label": "BMS-536924", "cosine_similarity": 0.3751119971275329 } }, { "source": "CID:44483259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "manumycin-a-thiostrepton similarity", "source_label": "manumycin-a", "target_label": "thiostrepton", "cosine_similarity": 0.7571782469749451 } }, { "source": "CID:45110765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "VU-0400071-3-pentoxifylline similarity", "source_label": "VU-0400071-3", "target_label": "pentoxifylline", "cosine_similarity": 0.2265385389328003 } }, { "source": "CID:6445562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "pelitinib-ponatinib similarity", "source_label": "pelitinib", "target_label": "ponatinib", "cosine_similarity": 0.5861315131187439 } }, { "source": "CID:60857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "zolmitriptan-phenothiazine similarity", "source_label": "zolmitriptan", "target_label": "phenothiazine", "cosine_similarity": 0.3209526240825653 } }, { "source": "CID:5029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "rabeprazole-ICI-162846 similarity", "source_label": "rabeprazole", "target_label": "ICI-162846", "cosine_similarity": 0.3295344710350036 } }, { "source": "CID:53001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "dazoxiben-CGS-20625 similarity", "source_label": "dazoxiben", "target_label": "CGS-20625", "cosine_similarity": 0.3651497066020965 } }, { "source": "CID:26533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45105106", "properties": { "id": "tiletamine-isometheptene similarity", "source_label": "tiletamine", "target_label": "isometheptene", "cosine_similarity": 0.2464516758918762 } }, { "source": "CID:25117126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330790", "properties": { "id": "defactinib-JNJ-7706621 similarity", "source_label": "defactinib", "target_label": "JNJ-7706621", "cosine_similarity": 0.2578239440917969 } }, { "source": "CID:91610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "gliquidone-aminoglutethimide similarity", "source_label": "gliquidone", "target_label": "aminoglutethimide", "cosine_similarity": 0.3340688347816467 } }, { "source": "CID:49843144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "SD-6-035-B2-SD-6-035-A3 similarity", "source_label": "SD-6-035-B2", "target_label": "SD-6-035-A3", "cosine_similarity": 0.2587127983570099 } }, { "source": "CID:6093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:656731", "properties": { "id": "niridazole-chromanol similarity", "source_label": "niridazole", "target_label": "chromanol", "cosine_similarity": 0.2672498226165771 } }, { "source": "CID:94701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2630179", "properties": { "id": "diprotin-a-EMF-sumo1-12 similarity", "source_label": "diprotin-a", "target_label": "EMF-sumo1-12", "cosine_similarity": 0.2541546821594238 } }, { "source": "CID:46861623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918184", "properties": { "id": "AZD-9668-Y-27152 similarity", "source_label": "AZD-9668", "target_label": "Y-27152", "cosine_similarity": 0.4123687744140625 } }, { "source": "CID:60651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "marbofloxacin-probucol similarity", "source_label": "marbofloxacin", "target_label": "probucol", "cosine_similarity": 0.5264935493469238 } }, { "source": "CID:182593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10521421", "properties": { "id": "RS-23597-190-10-DEBC similarity", "source_label": "RS-23597-190", "target_label": "10-DEBC", "cosine_similarity": 0.4210340082645416 } }, { "source": "CID:12001014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23727689", "properties": { "id": "mirodenafil-almorexant similarity", "source_label": "mirodenafil", "target_label": "almorexant", "cosine_similarity": 0.3397262692451477 } }, { "source": "CID:460747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "STK-397047-ryuvidine similarity", "source_label": "STK-397047", "target_label": "ryuvidine", "cosine_similarity": 0.6224690675735474 } }, { "source": "CID:2819320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6758", "properties": { "id": "KM-01366-rotenone similarity", "source_label": "KM-01366", "target_label": "rotenone", "cosine_similarity": 0.254514992237091 } }, { "source": "CID:4565183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "gangaleoidin-molsidomine similarity", "source_label": "gangaleoidin", "target_label": "molsidomine", "cosine_similarity": 0.3666635751724243 } }, { "source": "CID:650919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "ST-4049616-DAC-012 similarity", "source_label": "ST-4049616", "target_label": "DAC-012", "cosine_similarity": 0.3262629508972168 } }, { "source": "CID:46209426", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "thiazovivin-TPCA-1 similarity", "source_label": "thiazovivin", "target_label": "TPCA-1", "cosine_similarity": 0.3109507262706756 } }, { "source": "CID:65957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "pazufloxacin-actarit similarity", "source_label": "pazufloxacin", "target_label": "actarit", "cosine_similarity": 0.3341439366340637 } }, { "source": "CID:3690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "ifosfamide-L-ergothioneine similarity", "source_label": "ifosfamide", "target_label": "L-ergothioneine", "cosine_similarity": 0.775921106338501 } }, { "source": "CID:44593869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "KU-C103884-evoxine similarity", "source_label": "KU-C103884", "target_label": "evoxine", "cosine_similarity": 0.2751166820526123 } }, { "source": "CID:5280335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "sphingosine-K784-3188 similarity", "source_label": "sphingosine", "target_label": "K784-3188", "cosine_similarity": 0.2667128443717956 } }, { "source": "CID:107905", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "epicatechin-L-ergothioneine similarity", "source_label": "epicatechin", "target_label": "L-ergothioneine", "cosine_similarity": 0.4478374719619751 } }, { "source": "CID:11228183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "ABT-737-nelfinavir similarity", "source_label": "ABT-737", "target_label": "nelfinavir", "cosine_similarity": 0.5342937111854553 } }, { "source": "CID:122070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34870", "properties": { "id": "L-655240-amineptine similarity", "source_label": "L-655240", "target_label": "amineptine", "cosine_similarity": 0.4764114916324615 } }, { "source": "CID:3401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9889200", "properties": { "id": "flutrimazole-balaglitazone similarity", "source_label": "flutrimazole", "target_label": "balaglitazone", "cosine_similarity": 0.54545658826828 } }, { "source": "CID:73707504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "etiocholanolone-CV-1808 similarity", "source_label": "etiocholanolone", "target_label": "CV-1808", "cosine_similarity": 0.1976436078548431 } }, { "source": "CID:54416524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "doxycycline-vemurafenib similarity", "source_label": "doxycycline", "target_label": "vemurafenib", "cosine_similarity": 0.4575335085391998 } }, { "source": "CID:19103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "NSC-3852-thiostrepton similarity", "source_label": "NSC-3852", "target_label": "thiostrepton", "cosine_similarity": 0.7897540926933289 } }, { "source": "CID:44623845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "KU-C104226-tamibarotene similarity", "source_label": "KU-C104226", "target_label": "tamibarotene", "cosine_similarity": 0.2464428693056106 } }, { "source": "CID:131682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "safinamide-sumatriptan similarity", "source_label": "safinamide", "target_label": "sumatriptan", "cosine_similarity": 0.3613595366477966 } }, { "source": "CID:159311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5174", "properties": { "id": "bulleyaconitine-a-SC-68376 similarity", "source_label": "bulleyaconitine-a", "target_label": "SC-68376", "cosine_similarity": 0.2706458866596222 } }, { "source": "CID:9907093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "TGX-221-PI-103 similarity", "source_label": "TGX-221", "target_label": "PI-103", "cosine_similarity": 0.3337381780147552 } }, { "source": "CID:23975549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "I-505056-heliomycin similarity", "source_label": "I-505056", "target_label": "heliomycin", "cosine_similarity": 0.7017123699188232 } }, { "source": "CID:5564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "triclosan-sorafenib similarity", "source_label": "triclosan", "target_label": "sorafenib", "cosine_similarity": 0.4327940344810486 } }, { "source": "CID:4823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "pimobendan-vinburnine similarity", "source_label": "pimobendan", "target_label": "vinburnine", "cosine_similarity": 0.3166403472423553 } }, { "source": "CID:73707530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "QL-X-138-torin-1 similarity", "source_label": "QL-X-138", "target_label": "torin-1", "cosine_similarity": 0.6233120560646057 } }, { "source": "CID:167683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "leucodin-zebularine similarity", "source_label": "leucodin", "target_label": "zebularine", "cosine_similarity": 0.3009395599365234 } }, { "source": "CID:2435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10666", "properties": { "id": "brimonidine-ricinine similarity", "source_label": "brimonidine", "target_label": "ricinine", "cosine_similarity": 0.3289202153682709 } }, { "source": "CID:54654428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613797", "properties": { "id": "SA-1472623-SA-440968 similarity", "source_label": "SA-1472623", "target_label": "SA-440968", "cosine_similarity": 0.2186535000801086 } }, { "source": "CID:941361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15547703", "properties": { "id": "flunarizine-tosedostat similarity", "source_label": "flunarizine", "target_label": "tosedostat", "cosine_similarity": 0.2873802185058594 } }, { "source": "CID:122718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4784", "properties": { "id": "usnic-acid-PMSF similarity", "source_label": "usnic-acid", "target_label": "PMSF", "cosine_similarity": 0.2161962389945984 } }, { "source": "CID:6610300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "dichlorobenzamil-NNC-55-0396 similarity", "source_label": "dichlorobenzamil", "target_label": "NNC-55-0396", "cosine_similarity": 0.5929787158966064 } }, { "source": "CID:3689415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "K784-3187-K784-3188 similarity", "source_label": "K784-3187", "target_label": "K784-3188", "cosine_similarity": 0.8730049729347229 } }, { "source": "CID:54658969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "SA-1457797-APO-866 similarity", "source_label": "SA-1457797", "target_label": "APO-866", "cosine_similarity": 0.308010995388031 } }, { "source": "CID:10330240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "VUF-5681-FTI-276 similarity", "source_label": "VUF-5681", "target_label": "FTI-276", "cosine_similarity": 0.3712753057479858 } }, { "source": "CID:3366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6732844", "properties": { "id": "flucytosine-ST-023431 similarity", "source_label": "flucytosine", "target_label": "ST-023431", "cosine_similarity": 0.2282405942678451 } }, { "source": "CID:6419755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707373", "properties": { "id": "PKCbeta-inhibitor-COT-10b similarity", "source_label": "PKCbeta-inhibitor", "target_label": "COT-10b", "cosine_similarity": 0.6039537191390991 } }, { "source": "CID:8796093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20299", "properties": { "id": "KU-C103881-tridihexethyl similarity", "source_label": "KU-C103881", "target_label": "tridihexethyl", "cosine_similarity": 0.2998597621917724 } }, { "source": "CID:445858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4628", "properties": { "id": "ferulic-acid-oxolinic-acid similarity", "source_label": "ferulic-acid", "target_label": "oxolinic-acid", "cosine_similarity": 0.4049434065818786 } }, { "source": "CID:65889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "apafant-rifabutin similarity", "source_label": "apafant", "target_label": "rifabutin", "cosine_similarity": 0.5422250628471375 } }, { "source": "CID:183782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15541", "properties": { "id": "RS-67333-spectinomycin similarity", "source_label": "RS-67333", "target_label": "spectinomycin", "cosine_similarity": 0.2466215640306472 } }, { "source": "CID:5353842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "OBAA-CGS-21680 similarity", "source_label": "OBAA", "target_label": "CGS-21680", "cosine_similarity": 0.3131319880485534 } }, { "source": "CID:44490224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484295", "properties": { "id": "SA-101841-SA-90544 similarity", "source_label": "SA-101841", "target_label": "SA-90544", "cosine_similarity": 0.2664320766925812 } }, { "source": "CID:6476406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "NP-010914-torin-1 similarity", "source_label": "NP-010914", "target_label": "torin-1", "cosine_similarity": 0.2875755727291107 } }, { "source": "CID:2990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "dephostatin-clopidogrel similarity", "source_label": "dephostatin", "target_label": "clopidogrel", "cosine_similarity": 0.2591860890388489 } }, { "source": "CID:11455910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "TW-37-VU-0418934-2 similarity", "source_label": "TW-37", "target_label": "VU-0418934-2", "cosine_similarity": 0.7882609367370605 } }, { "source": "CID:73707378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60854", "properties": { "id": "triacsin-c-ziprasidone similarity", "source_label": "triacsin-c", "target_label": "ziprasidone", "cosine_similarity": 0.3817382454872131 } }, { "source": "CID:1092458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "DAC-013-ST-059620 similarity", "source_label": "DAC-013", "target_label": "ST-059620", "cosine_similarity": 0.5496647357940674 } }, { "source": "CID:44488817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "SA-84512-gossypin similarity", "source_label": "SA-84512", "target_label": "gossypin", "cosine_similarity": 0.311133861541748 } }, { "source": "CID:2022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5503", "properties": { "id": "acyclovir-tolazamide similarity", "source_label": "acyclovir", "target_label": "tolazamide", "cosine_similarity": 0.3596222400665283 } }, { "source": "CID:49843054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:167683", "properties": { "id": "SD-6-035-A3-leucodin similarity", "source_label": "SD-6-035-A3", "target_label": "leucodin", "cosine_similarity": 0.3238905966281891 } }, { "source": "CID:3896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "lavendustin-c-darinaparsin similarity", "source_label": "lavendustin-c", "target_label": "darinaparsin", "cosine_similarity": 0.2574952840805053 } }, { "source": "CID:46220502", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "LY-2835219-AG-14361 similarity", "source_label": "LY-2835219", "target_label": "AG-14361", "cosine_similarity": 0.5137951970100403 } }, { "source": "CID:46940575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "GDC-0152-ingenol similarity", "source_label": "GDC-0152", "target_label": "ingenol", "cosine_similarity": 0.3233449757099151 } }, { "source": "CID:65833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "milnacipran-CV-1808 similarity", "source_label": "milnacipran", "target_label": "CV-1808", "cosine_similarity": 0.4645328819751739 } }, { "source": "CID:54657728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "SA-1459224-dienestrol similarity", "source_label": "SA-1459224", "target_label": "dienestrol", "cosine_similarity": 0.2183606773614883 } }, { "source": "CID:5281081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "entacapone-Gossypetin similarity", "source_label": "entacapone", "target_label": "Gossypetin", "cosine_similarity": 0.1983816176652908 } }, { "source": "CID:5803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "tiratricol-levosulpiride similarity", "source_label": "tiratricol", "target_label": "levosulpiride", "cosine_similarity": 0.2386279702186584 } }, { "source": "CID:24747273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "PSH-010-JAS07-006 similarity", "source_label": "PSH-010", "target_label": "JAS07-006", "cosine_similarity": 0.3442599773406982 } }, { "source": "CID:9816959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54892", "properties": { "id": "CO-102862-quinapril similarity", "source_label": "CO-102862", "target_label": "quinapril", "cosine_similarity": 0.4469793736934662 } }, { "source": "CID:3682562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19582717", "properties": { "id": "BG-1001-CHEMBL-1222381 similarity", "source_label": "BG-1001", "target_label": "CHEMBL-1222381", "cosine_similarity": 0.2524095773696899 } }, { "source": "CID:8616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "peucedanin-KU-C104248 similarity", "source_label": "peucedanin", "target_label": "KU-C104248", "cosine_similarity": 0.380388855934143 } }, { "source": "CID:2391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "bisacodyl-digitoxigenin similarity", "source_label": "bisacodyl", "target_label": "digitoxigenin", "cosine_similarity": 0.5483255982398987 } }, { "source": "CID:6173479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "MW-STK33-4A-pifithrin-mu similarity", "source_label": "MW-STK33-4A", "target_label": "pifithrin-mu", "cosine_similarity": 0.2440748065710067 } }, { "source": "CID:44907115", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "VU-0413238-1-tandutinib similarity", "source_label": "VU-0413238-1", "target_label": "tandutinib", "cosine_similarity": 0.2904563844203949 } }, { "source": "CID:34677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45489398", "properties": { "id": "2-aminotetralin-VU-0415533-1 similarity", "source_label": "2-aminotetralin", "target_label": "VU-0415533-1", "cosine_similarity": 0.1912680268287658 } }, { "source": "CID:5329255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448912", "properties": { "id": "bis-tyrphostin-aloisine similarity", "source_label": "bis-tyrphostin", "target_label": "aloisine", "cosine_similarity": 0.2055373340845108 } }, { "source": "CID:2936384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259137", "properties": { "id": "SF-11-VU-0415011 similarity", "source_label": "SF-11", "target_label": "VU-0415011", "cosine_similarity": 0.2376319020986557 } }, { "source": "CID:54657711", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-1456751-SA-1456625 similarity", "source_label": "SA-1456751", "target_label": "SA-1456625", "cosine_similarity": 0.2967309355735779 } }, { "source": "CID:667476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "dienestrol-lorazepam similarity", "source_label": "dienestrol", "target_label": "lorazepam", "cosine_similarity": 0.6299982666969299 } }, { "source": "CID:441336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "mometasone-clocortolone-pivalate similarity", "source_label": "mometasone", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.3642409145832062 } }, { "source": "CID:22049997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "PH-797804-tecastemizole similarity", "source_label": "PH-797804", "target_label": "tecastemizole", "cosine_similarity": 0.3255276083946228 } }, { "source": "CID:442397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73333", "properties": { "id": "fisetinidol-amperozide similarity", "source_label": "fisetinidol", "target_label": "amperozide", "cosine_similarity": 0.2177694439888 } }, { "source": "CID:73707385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "TL-AA09-DAC-012 similarity", "source_label": "TL-AA09", "target_label": "DAC-012", "cosine_similarity": 0.3536869585514068 } }, { "source": "CID:4006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "malotilate-sodium-gualenate similarity", "source_label": "malotilate", "target_label": "sodium-gualenate", "cosine_similarity": 0.4472265541553497 } }, { "source": "CID:2377", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5584", "properties": { "id": "bifemelane-trimipramine similarity", "source_label": "bifemelane", "target_label": "trimipramine", "cosine_similarity": 0.5130786895751953 } }, { "source": "CID:3677", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "mephentermine-amikacin similarity", "source_label": "mephentermine", "target_label": "amikacin", "cosine_similarity": 0.4509152173995971 } }, { "source": "CID:64945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "ursolic-acid-pyrazinoylguanidine similarity", "source_label": "ursolic-acid", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.400216668844223 } }, { "source": "CID:72376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "narciclasine-verrucarin-a similarity", "source_label": "narciclasine", "target_label": "verrucarin-a", "cosine_similarity": 0.7568390965461731 } }, { "source": "CID:5218788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "SIB-1757-naloxone similarity", "source_label": "SIB-1757", "target_label": "naloxone", "cosine_similarity": 0.2992915511131286 } }, { "source": "CID:44483287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "TC-2559-FTI-276 similarity", "source_label": "TC-2559", "target_label": "FTI-276", "cosine_similarity": 0.2886014282703399 } }, { "source": "CID:24788740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "GDC-0068-KU-0063794 similarity", "source_label": "GDC-0068", "target_label": "KU-0063794", "cosine_similarity": 0.5930164456367493 } }, { "source": "CID:54654428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "SA-1472623-wortmannin similarity", "source_label": "SA-1472623", "target_label": "wortmannin", "cosine_similarity": 0.2117561548948288 } }, { "source": "CID:11689583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035746", "properties": { "id": "PSB-36-iodophenpropit similarity", "source_label": "PSB-36", "target_label": "iodophenpropit", "cosine_similarity": 0.3209156394004822 } }, { "source": "CID:11313361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:180559", "properties": { "id": "JNJ-16259685-esatenolol similarity", "source_label": "JNJ-16259685", "target_label": "esatenolol", "cosine_similarity": 0.2325877398252487 } }, { "source": "CID:122173063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "GSK-J2-dexloxiglumide similarity", "source_label": "GSK-J2", "target_label": "dexloxiglumide", "cosine_similarity": 0.6949505805969238 } }, { "source": "CID:4112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "methotrexate-floxuridine similarity", "source_label": "methotrexate", "target_label": "floxuridine", "cosine_similarity": 0.5339295268058777 } }, { "source": "CID:60854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707378", "properties": { "id": "ziprasidone-triacsin-c similarity", "source_label": "ziprasidone", "target_label": "triacsin-c", "cosine_similarity": 0.3817382454872131 } }, { "source": "CID:2816236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "HTS-12264SC-KM-03949SC similarity", "source_label": "HTS-12264SC", "target_label": "KM-03949SC", "cosine_similarity": 0.397872120141983 } }, { "source": "CID:52912189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72943187", "properties": { "id": "I-BET-151-bromosporine similarity", "source_label": "I-BET-151", "target_label": "bromosporine", "cosine_similarity": 0.8112404942512512 } }, { "source": "CID:161930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707364", "properties": { "id": "icilin-I-212148 similarity", "source_label": "icilin", "target_label": "I-212148", "cosine_similarity": 0.250161349773407 } }, { "source": "CID:378811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132059", "properties": { "id": "MR-16728-L-694247 similarity", "source_label": "MR-16728", "target_label": "L-694247", "cosine_similarity": 0.2300282418727874 } }, { "source": "CID:3965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25161177", "properties": { "id": "loxoprofen-MLN-2480 similarity", "source_label": "loxoprofen", "target_label": "MLN-2480", "cosine_similarity": 0.4282096326351166 } }, { "source": "CID:4684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659633", "properties": { "id": "parachlorophenol-SA-1456220 similarity", "source_label": "parachlorophenol", "target_label": "SA-1456220", "cosine_similarity": 0.2296197712421417 } }, { "source": "CID:17759555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9903786", "properties": { "id": "cyanoquinoline-11-TPCA-1 similarity", "source_label": "cyanoquinoline-11", "target_label": "TPCA-1", "cosine_similarity": 0.38858762383461 } }, { "source": "CID:24771867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11442891", "properties": { "id": "alisertib-danusertib similarity", "source_label": "alisertib", "target_label": "danusertib", "cosine_similarity": 0.4712393581867218 } }, { "source": "CID:24856238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "FU-JMBII227B-CVF-SUMO-14 similarity", "source_label": "FU-JMBII227B", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.4220257401466369 } }, { "source": "CID:445713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "farnesylpyrophosphate-vecuronium similarity", "source_label": "farnesylpyrophosphate", "target_label": "vecuronium", "cosine_similarity": 0.1795710176229477 } }, { "source": "CID:16490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "flumetasone-clocortolone-pivalate similarity", "source_label": "flumetasone", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.5097418427467346 } }, { "source": "CID:11656518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "RAF-265-vemurafenib similarity", "source_label": "RAF-265", "target_label": "vemurafenib", "cosine_similarity": 0.6893694400787354 } }, { "source": "CID:3344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "fenspiride-fisetin similarity", "source_label": "fenspiride", "target_label": "fisetin", "cosine_similarity": 0.3728276491165161 } }, { "source": "CID:7172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "synephrine-mestranol similarity", "source_label": "synephrine", "target_label": "mestranol", "cosine_similarity": 0.2781743109226227 } }, { "source": "CID:25154867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840324", "properties": { "id": "PF-3845-etomoxir similarity", "source_label": "PF-3845", "target_label": "etomoxir", "cosine_similarity": 0.3859525620937347 } }, { "source": "CID:10173277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "STA-5326-tetrandrine similarity", "source_label": "STA-5326", "target_label": "tetrandrine", "cosine_similarity": 0.654768168926239 } }, { "source": "CID:13342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "vinblastine-KX-2391 similarity", "source_label": "vinblastine", "target_label": "KX-2391", "cosine_similarity": 0.7912623286247253 } }, { "source": "CID:5328768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "TYRPHOSTIN-46-cefixime similarity", "source_label": "TYRPHOSTIN-46", "target_label": "cefixime", "cosine_similarity": 0.322043776512146 } }, { "source": "CID:23976270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "JPR-3-97-17-SA-427543 similarity", "source_label": "JPR-3-97-17", "target_label": "SA-427543", "cosine_similarity": 0.3551368713378906 } }, { "source": "CID:1285940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "C-646-NSC-632839 similarity", "source_label": "C-646", "target_label": "NSC-632839", "cosine_similarity": 0.5753484964370728 } }, { "source": "CID:7172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51683", "properties": { "id": "synephrine-swainsonine similarity", "source_label": "synephrine", "target_label": "swainsonine", "cosine_similarity": 0.2873231172561645 } }, { "source": "CID:73707410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "ebelactone-b-nocodazole similarity", "source_label": "ebelactone-b", "target_label": "nocodazole", "cosine_similarity": 0.2980557084083557 } }, { "source": "CID:11644425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "CGP-57380-KO-143 similarity", "source_label": "CGP-57380", "target_label": "KO-143", "cosine_similarity": 0.5266592502593994 } }, { "source": "CID:8029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "furan-lenalidomide similarity", "source_label": "furan", "target_label": "lenalidomide", "cosine_similarity": 0.2815988659858703 } }, { "source": "CID:11213558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "fostamatinib-dasatinib similarity", "source_label": "fostamatinib", "target_label": "dasatinib", "cosine_similarity": 0.6285949945449829 } }, { "source": "CID:441243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "saquinavir-lorcaserin similarity", "source_label": "saquinavir", "target_label": "lorcaserin", "cosine_similarity": 0.2697348594665527 } }, { "source": "CID:1355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "mCPP-palovarotene similarity", "source_label": "mCPP", "target_label": "palovarotene", "cosine_similarity": 0.4293158948421478 } }, { "source": "CID:17754438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2126", "properties": { "id": "PF-04217903-AM-580 similarity", "source_label": "PF-04217903", "target_label": "AM-580", "cosine_similarity": 0.4156109094619751 } }, { "source": "CID:4713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "PD-98059-ibrutinib similarity", "source_label": "PD-98059", "target_label": "ibrutinib", "cosine_similarity": 0.4761829078197479 } }, { "source": "CID:2214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "apocynin-dinoprost similarity", "source_label": "apocynin", "target_label": "dinoprost", "cosine_similarity": 0.5462295413017273 } }, { "source": "CID:51003702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "ARG-CSC2-23-evodiamine similarity", "source_label": "ARG-CSC2-23", "target_label": "evodiamine", "cosine_similarity": 0.2601302564144134 } }, { "source": "CID:4913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "procainamide-fexofenadine similarity", "source_label": "procainamide", "target_label": "fexofenadine", "cosine_similarity": 0.3847807645797729 } }, { "source": "CID:219271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "EBPC-Gossypetin similarity", "source_label": "EBPC", "target_label": "Gossypetin", "cosine_similarity": 0.3031761050224304 } }, { "source": "CID:3034034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "quinine-meclofenamic-acid similarity", "source_label": "quinine", "target_label": "meclofenamic-acid", "cosine_similarity": 0.6173285245895386 } }, { "source": "CID:9886498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "HU-211-tyrphostin-A9 similarity", "source_label": "HU-211", "target_label": "tyrphostin-A9", "cosine_similarity": 0.3246855437755584 } }, { "source": "CID:3337816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "CCMQ-FTI-276 similarity", "source_label": "CCMQ", "target_label": "FTI-276", "cosine_similarity": 0.2617981731891632 } }, { "source": "CID:11674376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155806", "properties": { "id": "UBP-302-MMPX similarity", "source_label": "UBP-302", "target_label": "MMPX", "cosine_similarity": 0.3152276873588562 } }, { "source": "CID:59473233", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56599306", "properties": { "id": "GS-9973-pilaralisib similarity", "source_label": "GS-9973", "target_label": "pilaralisib", "cosine_similarity": 0.4683224856853485 } }, { "source": "CID:5707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23236067", "properties": { "id": "xylazine-flunisolide similarity", "source_label": "xylazine", "target_label": "flunisolide", "cosine_similarity": 0.3290171027183532 } }, { "source": "CID:23975549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "I-505056-bithionol similarity", "source_label": "I-505056", "target_label": "bithionol", "cosine_similarity": 0.663183867931366 } }, { "source": "CID:5210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "sibutramine-cefotaxime similarity", "source_label": "sibutramine", "target_label": "cefotaxime", "cosine_similarity": 0.3529506325721741 } }, { "source": "CID:45006158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "betamethasone-acetate-clobetasol similarity", "source_label": "betamethasone-acetate", "target_label": "clobetasol", "cosine_similarity": 0.4875749051570892 } }, { "source": "CID:56649450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11640390", "properties": { "id": "alpelisib-linsitinib similarity", "source_label": "alpelisib", "target_label": "linsitinib", "cosine_similarity": 0.4972099661827087 } }, { "source": "CID:65999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "telmisartan-eperezolid similarity", "source_label": "telmisartan", "target_label": "eperezolid", "cosine_similarity": 0.4300428926944732 } }, { "source": "CID:3698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "amrinone-cholic-acid similarity", "source_label": "amrinone", "target_label": "cholic-acid", "cosine_similarity": 0.3111458420753479 } }, { "source": "CID:4178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2733768", "properties": { "id": "mexiletine-taurodeoxycholic-acid similarity", "source_label": "mexiletine", "target_label": "taurodeoxycholic-acid", "cosine_similarity": 0.2705863416194916 } }, { "source": "CID:176407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "ZM-241385-SA-792709 similarity", "source_label": "ZM-241385", "target_label": "SA-792709", "cosine_similarity": 0.2743065059185028 } }, { "source": "CID:73707613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "THZ-2-98-01-PKCbeta-inhibitor similarity", "source_label": "THZ-2-98-01", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.4569956958293915 } }, { "source": "CID:150311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "ezetimibe-terfenadine similarity", "source_label": "ezetimibe", "target_label": "terfenadine", "cosine_similarity": 0.4611579179763794 } }, { "source": "CID:5720188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "BH3I-1-dalcetrapib similarity", "source_label": "BH3I-1", "target_label": "dalcetrapib", "cosine_similarity": 0.267951637506485 } }, { "source": "CID:2130404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "AGK-2-PRIMA1 similarity", "source_label": "AGK-2", "target_label": "PRIMA1", "cosine_similarity": 0.4113285839557647 } }, { "source": "CID:5330535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:689043", "properties": { "id": "D-64406-caffeic-acid similarity", "source_label": "D-64406", "target_label": "caffeic-acid", "cosine_similarity": 0.4260829985141754 } }, { "source": "CID:44500706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "SA-97259-T-98475 similarity", "source_label": "SA-97259", "target_label": "T-98475", "cosine_similarity": 0.2774423658847809 } }, { "source": "CID:44501814", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669029", "properties": { "id": "SA-103006-SA-1921574 similarity", "source_label": "SA-103006", "target_label": "SA-1921574", "cosine_similarity": 0.3157436549663543 } }, { "source": "CID:9675990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "PAC-1-VU-0410183-2 similarity", "source_label": "PAC-1", "target_label": "VU-0410183-2", "cosine_similarity": 0.7293120622634888 } }, { "source": "CID:4846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "pirenoxine-resorcinol similarity", "source_label": "pirenoxine", "target_label": "resorcinol", "cosine_similarity": 0.2850028276443481 } }, { "source": "CID:25226483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10172943", "properties": { "id": "HG-5-113-01-A-443654 similarity", "source_label": "HG-5-113-01", "target_label": "A-443654", "cosine_similarity": 0.5122950077056885 } }, { "source": "CID:1218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369524", "properties": { "id": "SKF-81297-tanaproget similarity", "source_label": "SKF-81297", "target_label": "tanaproget", "cosine_similarity": 0.239196702837944 } }, { "source": "CID:16219259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:568416", "properties": { "id": "depudecin-droxinostat similarity", "source_label": "depudecin", "target_label": "droxinostat", "cosine_similarity": 0.2940117418766022 } }, { "source": "CID:2157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "amiodarone-tetrandrine similarity", "source_label": "amiodarone", "target_label": "tetrandrine", "cosine_similarity": 0.6303130388259888 } }, { "source": "CID:16760044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "latrunculin-b-CEP-37440 similarity", "source_label": "latrunculin-b", "target_label": "CEP-37440", "cosine_similarity": 0.4413825571537018 } }, { "source": "CID:3346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "fenthion-levofloxacin similarity", "source_label": "fenthion", "target_label": "levofloxacin", "cosine_similarity": 0.2043080478906631 } }, { "source": "CID:4462449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "CAY-10578-gossypin similarity", "source_label": "CAY-10578", "target_label": "gossypin", "cosine_similarity": 0.2928898930549621 } }, { "source": "CID:60753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "ibutilide-raloxifene similarity", "source_label": "ibutilide", "target_label": "raloxifene", "cosine_similarity": 0.2703484892845154 } }, { "source": "CID:5174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SC-68376-FTI-276 similarity", "source_label": "SC-68376", "target_label": "FTI-276", "cosine_similarity": 0.3800694346427917 } }, { "source": "CID:44129591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124172", "properties": { "id": "VU-0366968-SC-9 similarity", "source_label": "VU-0366968", "target_label": "SC-9", "cosine_similarity": 0.2701762616634369 } }, { "source": "CID:1354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "m-chlorophenylbiguanide-6-hydroxytropinone similarity", "source_label": "m-chlorophenylbiguanide", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.2305916100740432 } }, { "source": "CID:60164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25025505", "properties": { "id": "adapalene-MBX-2982 similarity", "source_label": "adapalene", "target_label": "MBX-2982", "cosine_similarity": 0.3748602569103241 } }, { "source": "CID:45006145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483291", "properties": { "id": "hydrocortisone-valerate-medrysone similarity", "source_label": "hydrocortisone-valerate", "target_label": "medrysone", "cosine_similarity": 0.3051429092884063 } }, { "source": "CID:53025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "cefotetan-levamisole similarity", "source_label": "cefotetan", "target_label": "levamisole", "cosine_similarity": 0.2851992547512054 } }, { "source": "CID:449215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "cycloserine-ARG-TC-41 similarity", "source_label": "cycloserine", "target_label": "ARG-TC-41", "cosine_similarity": 0.1828948110342025 } }, { "source": "CID:10020353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361", "properties": { "id": "SKF-83822-suramin similarity", "source_label": "SKF-83822", "target_label": "suramin", "cosine_similarity": 0.2652017176151275 } }, { "source": "CID:46199646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444031", "properties": { "id": "VX-661-darifenacin similarity", "source_label": "VX-661", "target_label": "darifenacin", "cosine_similarity": 0.2836558222770691 } }, { "source": "CID:3410883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "BU-226-saxagliptin similarity", "source_label": "BU-226", "target_label": "saxagliptin", "cosine_similarity": 0.2656342089176178 } }, { "source": "CID:6711154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "CGP-53353-sorafenib similarity", "source_label": "CGP-53353", "target_label": "sorafenib", "cosine_similarity": 0.2954376637935638 } }, { "source": "CID:3561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "haloprogin-cercosporin similarity", "source_label": "haloprogin", "target_label": "cercosporin", "cosine_similarity": 0.4765010774135589 } }, { "source": "CID:260972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "EMF-sumo1-8-Gossypetin similarity", "source_label": "EMF-sumo1-8", "target_label": "Gossypetin", "cosine_similarity": 0.39773029088974 } }, { "source": "CID:2819152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "KM-00927-vorinostat similarity", "source_label": "KM-00927", "target_label": "vorinostat", "cosine_similarity": 0.8153536319732666 } }, { "source": "CID:44484295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-90544-SA-424170 similarity", "source_label": "SA-90544", "target_label": "SA-424170", "cosine_similarity": 0.2635724246501922 } }, { "source": "CID:5360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13186954", "properties": { "id": "dextrorphan-KU-C103656 similarity", "source_label": "dextrorphan", "target_label": "KU-C103656", "cosine_similarity": 0.2589482367038727 } }, { "source": "CID:176873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123683", "properties": { "id": "cilengitide-IB-MECA similarity", "source_label": "cilengitide", "target_label": "IB-MECA", "cosine_similarity": 0.3148064315319061 } }, { "source": "CID:3033637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "nizatidine-BMS-191011 similarity", "source_label": "nizatidine", "target_label": "BMS-191011", "cosine_similarity": 0.3531104028224945 } }, { "source": "CID:70680399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "MW-SHH-54-cholic-acid similarity", "source_label": "MW-SHH-54", "target_label": "cholic-acid", "cosine_similarity": 0.2898055911064148 } }, { "source": "CID:87217390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "SU-014813-mCPP similarity", "source_label": "SU-014813", "target_label": "mCPP", "cosine_similarity": 0.4657558500766754 } }, { "source": "CID:4381125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "K784-3131-EMF-bca1-16 similarity", "source_label": "K784-3131", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7797204256057739 } }, { "source": "CID:6604928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10251", "properties": { "id": "GS-39783-flavanone similarity", "source_label": "GS-39783", "target_label": "flavanone", "cosine_similarity": 0.2578368186950683 } }, { "source": "CID:9953769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "RS-504393-fluvastatin similarity", "source_label": "RS-504393", "target_label": "fluvastatin", "cosine_similarity": 0.5036218762397766 } }, { "source": "CID:73707550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707350", "properties": { "id": "BG-1026-BG-1029 similarity", "source_label": "BG-1026", "target_label": "BG-1029", "cosine_similarity": 0.3670430779457092 } }, { "source": "CID:5587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "tripelennamine-thiotepa similarity", "source_label": "tripelennamine", "target_label": "thiotepa", "cosine_similarity": 0.290855199098587 } }, { "source": "CID:5453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3385", "properties": { "id": "thiotepa-fluorouracil similarity", "source_label": "thiotepa", "target_label": "fluorouracil", "cosine_similarity": 0.2990176379680633 } }, { "source": "CID:2182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "anagrelide-gatifloxacin similarity", "source_label": "anagrelide", "target_label": "gatifloxacin", "cosine_similarity": 0.422734797000885 } }, { "source": "CID:54657694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "SA-1460192-PI-828 similarity", "source_label": "SA-1460192", "target_label": "PI-828", "cosine_similarity": 0.3122713565826416 } }, { "source": "CID:24821094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "ibrutinib-PD-98059 similarity", "source_label": "ibrutinib", "target_label": "PD-98059", "cosine_similarity": 0.4761829078197479 } }, { "source": "CID:16124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160254", "properties": { "id": "medronic-acid-cryptotanshinone similarity", "source_label": "medronic-acid", "target_label": "cryptotanshinone", "cosine_similarity": 0.1721289306879043 } }, { "source": "CID:6604763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "ICI-192605-emtricitabine similarity", "source_label": "ICI-192605", "target_label": "emtricitabine", "cosine_similarity": 0.3571805655956268 } }, { "source": "CID:72376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219", "properties": { "id": "narciclasine-emetine similarity", "source_label": "narciclasine", "target_label": "emetine", "cosine_similarity": 0.7648284435272217 } }, { "source": "CID:456389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4630", "properties": { "id": "diclazuril-oxotremorine-sesquifumarate similarity", "source_label": "diclazuril", "target_label": "oxotremorine-sesquifumarate", "cosine_similarity": 0.1310355961322784 } }, { "source": "CID:44543525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9872438", "properties": { "id": "KU-C103871-SSR-69071 similarity", "source_label": "KU-C103871", "target_label": "SSR-69071", "cosine_similarity": 0.2064414620399475 } }, { "source": "CID:73707446", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "tigecycline-RAF-265 similarity", "source_label": "tigecycline", "target_label": "RAF-265", "cosine_similarity": 0.4491780698299408 } }, { "source": "CID:26596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "parbendazole-dolastatin-10 similarity", "source_label": "parbendazole", "target_label": "dolastatin-10", "cosine_similarity": 0.8662678599357605 } }, { "source": "CID:4075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "mesalazine-alosetron similarity", "source_label": "mesalazine", "target_label": "alosetron", "cosine_similarity": 0.2282959967851638 } }, { "source": "CID:56676725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "BIX-01338-methyl-fasudil similarity", "source_label": "BIX-01338", "target_label": "methyl-fasudil", "cosine_similarity": 0.262786865234375 } }, { "source": "CID:135925692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "propylpyrazole-Gossypetin similarity", "source_label": "propylpyrazole", "target_label": "Gossypetin", "cosine_similarity": 0.263858824968338 } }, { "source": "CID:5702166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702041", "properties": { "id": "peruvoside-digitoxin similarity", "source_label": "peruvoside", "target_label": "digitoxin", "cosine_similarity": 0.3216303586959839 } }, { "source": "CID:24856436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46700756", "properties": { "id": "MK-1775-LY-2606368 similarity", "source_label": "MK-1775", "target_label": "LY-2606368", "cosine_similarity": 0.5325090885162354 } }, { "source": "CID:135409468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "desmethylclozapine-CAM-9-027-3 similarity", "source_label": "desmethylclozapine", "target_label": "CAM-9-027-3", "cosine_similarity": 0.4560905396938324 } }, { "source": "CID:6173479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10022508", "properties": { "id": "MW-STK33-4A-MDM2-inhibitor similarity", "source_label": "MW-STK33-4A", "target_label": "MDM2-inhibitor", "cosine_similarity": 0.2571621239185333 } }, { "source": "CID:131411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667722", "properties": { "id": "arbidol-acadesine similarity", "source_label": "arbidol", "target_label": "acadesine", "cosine_similarity": 0.3218047320842743 } }, { "source": "CID:73313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "trimidox-vecuronium similarity", "source_label": "trimidox", "target_label": "vecuronium", "cosine_similarity": 0.2799308001995086 } }, { "source": "CID:2203170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "EMF-sumo1-2-pifithrin-mu similarity", "source_label": "EMF-sumo1-2", "target_label": "pifithrin-mu", "cosine_similarity": 0.3526370525360107 } }, { "source": "CID:53321987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "bafilomycin-fluvastatin similarity", "source_label": "bafilomycin", "target_label": "fluvastatin", "cosine_similarity": 0.4163131415843963 } }, { "source": "CID:5042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "rebamipide-benzbromarone similarity", "source_label": "rebamipide", "target_label": "benzbromarone", "cosine_similarity": 0.5197944045066833 } }, { "source": "CID:5281613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153241", "properties": { "id": "diosmin-merimepodib similarity", "source_label": "diosmin", "target_label": "merimepodib", "cosine_similarity": 0.2951767444610595 } }, { "source": "CID:5024764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "CGP-7930-motesanib similarity", "source_label": "CGP-7930", "target_label": "motesanib", "cosine_similarity": 0.2788053750991821 } }, { "source": "CID:24747210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "PSH-027-darinaparsin similarity", "source_label": "PSH-027", "target_label": "darinaparsin", "cosine_similarity": 0.3675806820392608 } }, { "source": "CID:9604993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610313", "properties": { "id": "DMeOB-ryanodine similarity", "source_label": "DMeOB", "target_label": "ryanodine", "cosine_similarity": 0.2656448185443878 } }, { "source": "CID:2953683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "MW-STK33-3B-SA-85268 similarity", "source_label": "MW-STK33-3B", "target_label": "SA-85268", "cosine_similarity": 0.2097724378108978 } }, { "source": "CID:10173277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "STA-5326-NTNCB similarity", "source_label": "STA-5326", "target_label": "NTNCB", "cosine_similarity": 0.6773946285247803 } }, { "source": "CID:54654609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "SA-1463787-lenalidomide similarity", "source_label": "SA-1463787", "target_label": "lenalidomide", "cosine_similarity": 0.2800045013427734 } }, { "source": "CID:4284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490413", "properties": { "id": "diethyltoluamide-SA-432998 similarity", "source_label": "diethyltoluamide", "target_label": "SA-432998", "cosine_similarity": 0.2278782129287719 } }, { "source": "CID:47472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457928", "properties": { "id": "butoconazole-bevirimat-dimeglumine similarity", "source_label": "butoconazole", "target_label": "bevirimat-dimeglumine", "cosine_similarity": 0.3694448471069336 } }, { "source": "CID:3064778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "hydroxyfasudil-APO-866 similarity", "source_label": "hydroxyfasudil", "target_label": "APO-866", "cosine_similarity": 0.3502988517284393 } }, { "source": "CID:4306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "W-9-PP-110 similarity", "source_label": "W-9", "target_label": "PP-110", "cosine_similarity": 0.2642882764339447 } }, { "source": "CID:4883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "practolol-gossypin similarity", "source_label": "practolol", "target_label": "gossypin", "cosine_similarity": 0.3500547409057617 } }, { "source": "CID:3456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483977", "properties": { "id": "GBR-12935-DM-55-3 similarity", "source_label": "GBR-12935", "target_label": "DM-55-3", "cosine_similarity": 0.190433457493782 } }, { "source": "CID:44504533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "SA-103150-SA-85148 similarity", "source_label": "SA-103150", "target_label": "SA-85148", "cosine_similarity": 0.4102768301963806 } }, { "source": "CID:54659991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498015", "properties": { "id": "SA-1456576-SA-97110 similarity", "source_label": "SA-1456576", "target_label": "SA-97110", "cosine_similarity": 0.3482206761837005 } }, { "source": "CID:1102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707538", "properties": { "id": "spermidine-BG-1009 similarity", "source_label": "spermidine", "target_label": "BG-1009", "cosine_similarity": 0.2410853803157806 } }, { "source": "CID:6708725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "gedunin-SA-792709 similarity", "source_label": "gedunin", "target_label": "SA-792709", "cosine_similarity": 0.3515519499778747 } }, { "source": "CID:24747179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "PSH-003-EXO-1 similarity", "source_label": "PSH-003", "target_label": "EXO-1", "cosine_similarity": 0.3765057027339935 } }, { "source": "CID:3478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "glipizide-cefepime similarity", "source_label": "glipizide", "target_label": "cefepime", "cosine_similarity": 0.4066928923130035 } }, { "source": "CID:148201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "tariquidar-rimcazole similarity", "source_label": "tariquidar", "target_label": "rimcazole", "cosine_similarity": 0.2806975543498993 } }, { "source": "CID:73707583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443944", "properties": { "id": "PD-149163-metrizamide similarity", "source_label": "PD-149163", "target_label": "metrizamide", "cosine_similarity": 0.1598001569509506 } }, { "source": "CID:71384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "razoxane-parbendazole similarity", "source_label": "razoxane", "target_label": "parbendazole", "cosine_similarity": 0.6487811803817749 } }, { "source": "CID:5388993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918736", "properties": { "id": "vincristine-rigosertib similarity", "source_label": "vincristine", "target_label": "rigosertib", "cosine_similarity": 0.6952162384986877 } }, { "source": "CID:5374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "talipexole-SAL-1 similarity", "source_label": "talipexole", "target_label": "SAL-1", "cosine_similarity": 0.2726744711399078 } }, { "source": "CID:33625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "indoramin-phenylacetylglutamine similarity", "source_label": "indoramin", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.329495221376419 } }, { "source": "CID:8550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "deserpidine-macitentan similarity", "source_label": "deserpidine", "target_label": "macitentan", "cosine_similarity": 0.2190381437540054 } }, { "source": "CID:54657731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505045", "properties": { "id": "SA-1458689-SA-419050 similarity", "source_label": "SA-1458689", "target_label": "SA-419050", "cosine_similarity": 0.27307790517807 } }, { "source": "CID:656717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "IAA-94-pravastatin similarity", "source_label": "IAA-94", "target_label": "pravastatin", "cosine_similarity": 0.2154957950115203 } }, { "source": "CID:187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3735", "properties": { "id": "acetylcholine-iopanoic-acid similarity", "source_label": "acetylcholine", "target_label": "iopanoic-acid", "cosine_similarity": 0.2302267849445343 } }, { "source": "CID:5626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "U-99194-fumonisin-b1 similarity", "source_label": "U-99194", "target_label": "fumonisin-b1", "cosine_similarity": 0.3344720602035522 } }, { "source": "CID:3627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151170", "properties": { "id": "homochlorcyclizine-cilomilast similarity", "source_label": "homochlorcyclizine", "target_label": "cilomilast", "cosine_similarity": 0.3031050860881805 } }, { "source": "CID:4195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:681", "properties": { "id": "midodrine-dopamine similarity", "source_label": "midodrine", "target_label": "dopamine", "cosine_similarity": 0.2819665074348449 } }, { "source": "CID:3702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "indapamide-GDC-0199 similarity", "source_label": "indapamide", "target_label": "GDC-0199", "cosine_similarity": 0.3864845037460327 } }, { "source": "CID:464205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "tenofovir-6-hydroxytropinone similarity", "source_label": "tenofovir", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.3665793836116791 } }, { "source": "CID:3654103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311042", "properties": { "id": "BRL-15572-CGP-55845 similarity", "source_label": "BRL-15572", "target_label": "CGP-55845", "cosine_similarity": 0.2329140305519104 } }, { "source": "CID:54685921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "hispidin-erythrosine similarity", "source_label": "hispidin", "target_label": "erythrosine", "cosine_similarity": 0.2323614358901977 } }, { "source": "CID:6560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "penicillin-myriocin similarity", "source_label": "penicillin", "target_label": "myriocin", "cosine_similarity": 0.2515871524810791 } }, { "source": "CID:44492524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507283", "properties": { "id": "SA-242939-SA-247592 similarity", "source_label": "SA-242939", "target_label": "SA-247592", "cosine_similarity": 0.2852257490158081 } }, { "source": "CID:49848070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "taladegib-benzbromarone similarity", "source_label": "taladegib", "target_label": "benzbromarone", "cosine_similarity": 0.406373381614685 } }, { "source": "CID:446916", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "MDL-29951-GSK-J2 similarity", "source_label": "MDL-29951", "target_label": "GSK-J2", "cosine_similarity": 0.4567545056343078 } }, { "source": "CID:16734800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121891", "properties": { "id": "LXR-623-mitiglinide similarity", "source_label": "LXR-623", "target_label": "mitiglinide", "cosine_similarity": 0.35358726978302 } }, { "source": "CID:24812758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "canagliflozin-loxoprofen similarity", "source_label": "canagliflozin", "target_label": "loxoprofen", "cosine_similarity": 0.2764260470867157 } }, { "source": "CID:54658423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-1460008-SA-1459173 similarity", "source_label": "SA-1460008", "target_label": "SA-1459173", "cosine_similarity": 0.4000081419944763 } }, { "source": "CID:9681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "methysergide-evodiamine similarity", "source_label": "methysergide", "target_label": "evodiamine", "cosine_similarity": 0.3315645754337311 } }, { "source": "CID:107641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "indobufen-entecavir similarity", "source_label": "indobufen", "target_label": "entecavir", "cosine_similarity": 0.3547196388244629 } }, { "source": "CID:16760312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4788", "properties": { "id": "inhibitor-BEC-phloretin similarity", "source_label": "inhibitor-BEC", "target_label": "phloretin", "cosine_similarity": 0.3956893980503082 } }, { "source": "CID:3473417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0447126-2-Gossypetin similarity", "source_label": "VU-0447126-2", "target_label": "Gossypetin", "cosine_similarity": 0.3372316658496856 } }, { "source": "CID:10168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6738", "properties": { "id": "rhein-hydroxytoluic-acid similarity", "source_label": "rhein", "target_label": "hydroxytoluic-acid", "cosine_similarity": 0.4102646708488464 } }, { "source": "CID:46907798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "EMF-BCA1-64-saxagliptin similarity", "source_label": "EMF-BCA1-64", "target_label": "saxagliptin", "cosine_similarity": 0.3770568370819092 } }, { "source": "CID:54680692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "phenprocoumon-cholic-acid similarity", "source_label": "phenprocoumon", "target_label": "cholic-acid", "cosine_similarity": 0.3329815566539764 } }, { "source": "CID:4412255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "CP-55940-obatoclax similarity", "source_label": "CP-55940", "target_label": "obatoclax", "cosine_similarity": 0.2789555191993713 } }, { "source": "CID:101616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552706", "properties": { "id": "lobeline-losmapimod similarity", "source_label": "lobeline", "target_label": "losmapimod", "cosine_similarity": 0.2683307230472564 } }, { "source": "CID:9840076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "AG-14361-kenpaullone similarity", "source_label": "AG-14361", "target_label": "kenpaullone", "cosine_similarity": 0.7778965830802917 } }, { "source": "CID:441276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148124", "properties": { "id": "paclitaxel-docetaxel similarity", "source_label": "paclitaxel", "target_label": "docetaxel", "cosine_similarity": 0.89108806848526 } }, { "source": "CID:491941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "pritelivir-linsidomine similarity", "source_label": "pritelivir", "target_label": "linsidomine", "cosine_similarity": 0.5144160985946655 } }, { "source": "CID:5311217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3248000", "properties": { "id": "lacidipine-3'-fluorobenzylspiperone similarity", "source_label": "lacidipine", "target_label": "3'-fluorobenzylspiperone", "cosine_similarity": 0.3102842569351196 } }, { "source": "CID:2438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "BRL-54443-SA-90471 similarity", "source_label": "BRL-54443", "target_label": "SA-90471", "cosine_similarity": 0.3054558634757995 } }, { "source": "CID:1234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24871506", "properties": { "id": "gallopamil-RVX-208 similarity", "source_label": "gallopamil", "target_label": "RVX-208", "cosine_similarity": 0.2728883028030395 } }, { "source": "CID:598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "mesna-CAM-9-021 similarity", "source_label": "mesna", "target_label": "CAM-9-021", "cosine_similarity": 0.3035052120685577 } }, { "source": "CID:3475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "gliclazide-tetrahydrouridine similarity", "source_label": "gliclazide", "target_label": "tetrahydrouridine", "cosine_similarity": 0.8274581432342529 } }, { "source": "CID:46224516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "UNC-0638-perphenazine similarity", "source_label": "UNC-0638", "target_label": "perphenazine", "cosine_similarity": 0.6691998839378357 } }, { "source": "CID:49842983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "SD-6-035-A2-MW-STK33-2B similarity", "source_label": "SD-6-035-A2", "target_label": "MW-STK33-2B", "cosine_similarity": 0.2283979505300521 } }, { "source": "CID:24747215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601475", "properties": { "id": "JAS07-007-KUC103903N similarity", "source_label": "JAS07-007", "target_label": "KUC103903N", "cosine_similarity": 0.3628613948822021 } }, { "source": "CID:1775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3946", "properties": { "id": "phenytoin-lobenzarit similarity", "source_label": "phenytoin", "target_label": "lobenzarit", "cosine_similarity": 0.4354537725448608 } }, { "source": "CID:11210478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "WP-1066-celastrol similarity", "source_label": "WP-1066", "target_label": "celastrol", "cosine_similarity": 0.3413118422031402 } }, { "source": "CID:1189521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "MW-MITF9-phenothiazine similarity", "source_label": "MW-MITF9", "target_label": "phenothiazine", "cosine_similarity": 0.4035519361495971 } }, { "source": "CID:60186794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44491382", "properties": { "id": "SA-1939064-SA-97343 similarity", "source_label": "SA-1939064", "target_label": "SA-97343", "cosine_similarity": 0.2783864736557007 } }, { "source": "CID:4673190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "ganglioside-zolpidem similarity", "source_label": "ganglioside", "target_label": "zolpidem", "cosine_similarity": 0.359069675207138 } }, { "source": "CID:54659633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "SA-1456220-ajmaline similarity", "source_label": "SA-1456220", "target_label": "ajmaline", "cosine_similarity": 0.2758627831935882 } }, { "source": "CID:6451164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "rilpivirine-gemifloxacin similarity", "source_label": "rilpivirine", "target_label": "gemifloxacin", "cosine_similarity": 0.2696370184421539 } }, { "source": "CID:5245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104758", "properties": { "id": "risedronate-raltitrexed similarity", "source_label": "risedronate", "target_label": "raltitrexed", "cosine_similarity": 0.1771084517240524 } }, { "source": "CID:46885626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "GSK-1070916-BMS-754807 similarity", "source_label": "GSK-1070916", "target_label": "BMS-754807", "cosine_similarity": 0.4073261618614197 } }, { "source": "CID:2888950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13927312", "properties": { "id": "MW-A1-6-KU-C103443N similarity", "source_label": "MW-A1-6", "target_label": "KU-C103443N", "cosine_similarity": 0.2091264575719833 } }, { "source": "CID:54596134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504286", "properties": { "id": "TUL_XXI035-SA-102042 similarity", "source_label": "TUL_XXI035", "target_label": "SA-102042", "cosine_similarity": 0.3099689483642578 } }, { "source": "CID:49867936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9924495", "properties": { "id": "MLN-9708-perampanel similarity", "source_label": "MLN-9708", "target_label": "perampanel", "cosine_similarity": 0.514829158782959 } }, { "source": "CID:3346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3903", "properties": { "id": "fenthion-leu-enkephalin similarity", "source_label": "fenthion", "target_label": "leu-enkephalin", "cosine_similarity": 0.2243062257766723 } }, { "source": "CID:68844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "brinzolamide-zebularine similarity", "source_label": "brinzolamide", "target_label": "zebularine", "cosine_similarity": 0.2836183607578277 } }, { "source": "CID:71414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "diflorasone-dexamethasone similarity", "source_label": "diflorasone", "target_label": "dexamethasone", "cosine_similarity": 0.4037575125694275 } }, { "source": "CID:5440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "thiethylperazine-PSH-028 similarity", "source_label": "thiethylperazine", "target_label": "PSH-028", "cosine_similarity": 0.2218362540006637 } }, { "source": "CID:44483340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "GW-6471-cyclosporin-a similarity", "source_label": "GW-6471", "target_label": "cyclosporin-a", "cosine_similarity": 0.3119784593582153 } }, { "source": "CID:65999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66577006", "properties": { "id": "telmisartan-KIN001-270 similarity", "source_label": "telmisartan", "target_label": "KIN001-270", "cosine_similarity": 0.4144348800182342 } }, { "source": "CID:6604009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SB-222200-gliclazide similarity", "source_label": "SB-222200", "target_label": "gliclazide", "cosine_similarity": 0.4003026187419891 } }, { "source": "CID:53302361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "HG-6-64-01-dabrafenib similarity", "source_label": "HG-6-64-01", "target_label": "dabrafenib", "cosine_similarity": 0.5981885194778442 } }, { "source": "CID:10071166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25025505", "properties": { "id": "DCPIB-MBX-2982 similarity", "source_label": "DCPIB", "target_label": "MBX-2982", "cosine_similarity": 0.2619293928146362 } }, { "source": "CID:681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "dopamine-milnacipran similarity", "source_label": "dopamine", "target_label": "milnacipran", "cosine_similarity": 0.3648273348808288 } }, { "source": "CID:73265271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "LY-2886721-yohimbine similarity", "source_label": "LY-2886721", "target_label": "yohimbine", "cosine_similarity": 0.5317740440368652 } }, { "source": "CID:3332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "felbinac-cyclizine similarity", "source_label": "felbinac", "target_label": "cyclizine", "cosine_similarity": 0.4331231713294983 } }, { "source": "CID:5329098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11640390", "properties": { "id": "semaxanib-linsitinib similarity", "source_label": "semaxanib", "target_label": "linsitinib", "cosine_similarity": 0.2654791176319122 } }, { "source": "CID:114829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3277", "properties": { "id": "MF-101-etazolate similarity", "source_label": "MF-101", "target_label": "etazolate", "cosine_similarity": 0.2539331316947937 } }, { "source": "CID:6610261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135400439", "properties": { "id": "L-744832-KF-38789 similarity", "source_label": "L-744832", "target_label": "KF-38789", "cosine_similarity": 0.2178091406822204 } }, { "source": "CID:121891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "mitiglinide-castanospermine similarity", "source_label": "mitiglinide", "target_label": "castanospermine", "cosine_similarity": 0.4206815063953399 } }, { "source": "CID:124846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "HTMT-naloxone similarity", "source_label": "HTMT", "target_label": "naloxone", "cosine_similarity": 0.3084996938705444 } }, { "source": "CID:4195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "midodrine-TAK-715 similarity", "source_label": "midodrine", "target_label": "TAK-715", "cosine_similarity": 0.2790932953357696 } }, { "source": "CID:5386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "tegafur-liranaftate similarity", "source_label": "tegafur", "target_label": "liranaftate", "cosine_similarity": 0.3109663724899292 } }, { "source": "CID:54680692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "phenprocoumon-etomidate similarity", "source_label": "phenprocoumon", "target_label": "etomidate", "cosine_similarity": 0.3271311223506927 } }, { "source": "CID:3906780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5359371", "properties": { "id": "NNC-63-0532-levallorphan similarity", "source_label": "NNC-63-0532", "target_label": "levallorphan", "cosine_similarity": 0.2372505515813827 } }, { "source": "CID:40632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "pirfenidone-emedastine similarity", "source_label": "pirfenidone", "target_label": "emedastine", "cosine_similarity": 0.4631736576557159 } }, { "source": "CID:3365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11646777", "properties": { "id": "fluconazole-LY-2334737 similarity", "source_label": "fluconazole", "target_label": "LY-2334737", "cosine_similarity": 0.3336136937141418 } }, { "source": "CID:23789067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24094067", "properties": { "id": "sisomicin-I-303059 similarity", "source_label": "sisomicin", "target_label": "I-303059", "cosine_similarity": 0.19623664021492 } }, { "source": "CID:119376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "GR-113808-tetrahydrouridine similarity", "source_label": "GR-113808", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4024074971675873 } }, { "source": "CID:10294813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "genz-644282-idarubicin similarity", "source_label": "genz-644282", "target_label": "idarubicin", "cosine_similarity": 0.6673523783683777 } }, { "source": "CID:9840076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "AG-14361-rucaparib similarity", "source_label": "AG-14361", "target_label": "rucaparib", "cosine_similarity": 0.6794012188911438 } }, { "source": "CID:25260757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "WYE-125132-NVP-BEZ235 similarity", "source_label": "WYE-125132", "target_label": "NVP-BEZ235", "cosine_similarity": 0.8386304378509521 } }, { "source": "CID:3162043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "MW-STK33-1B-CAM-9-021 similarity", "source_label": "MW-STK33-1B", "target_label": "CAM-9-021", "cosine_similarity": 0.3137465715408325 } }, { "source": "CID:5961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:679758", "properties": { "id": "glutamine-ST-209453 similarity", "source_label": "glutamine", "target_label": "ST-209453", "cosine_similarity": 0.320575475692749 } }, { "source": "CID:76033918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755405", "properties": { "id": "methylstat-ST-056792 similarity", "source_label": "methylstat", "target_label": "ST-056792", "cosine_similarity": 0.3534611165523529 } }, { "source": "CID:10202642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11655119", "properties": { "id": "GW-788388-LY-2109761 similarity", "source_label": "GW-788388", "target_label": "LY-2109761", "cosine_similarity": 0.4007301330566406 } }, { "source": "CID:5284329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "purmorphamine-ZM-336372 similarity", "source_label": "purmorphamine", "target_label": "ZM-336372", "cosine_similarity": 0.3116948306560516 } }, { "source": "CID:44494000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669335", "properties": { "id": "SA-243423-SA-1919551 similarity", "source_label": "SA-243423", "target_label": "SA-1919551", "cosine_similarity": 0.2580355703830719 } }, { "source": "CID:44502203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "SA-101686-SA-90471 similarity", "source_label": "SA-101686", "target_label": "SA-90471", "cosine_similarity": 0.4101771712303161 } }, { "source": "CID:11960529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "veliparib-rucaparib similarity", "source_label": "veliparib", "target_label": "rucaparib", "cosine_similarity": 0.4263651967048645 } }, { "source": "CID:3744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6451164", "properties": { "id": "VP-20629-rilpivirine similarity", "source_label": "VP-20629", "target_label": "rilpivirine", "cosine_similarity": 0.2575836777687073 } }, { "source": "CID:707029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "EX-527-estrone similarity", "source_label": "EX-527", "target_label": "estrone", "cosine_similarity": 0.424180120229721 } }, { "source": "CID:4331799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284513", "properties": { "id": "SB-408124-acitretin similarity", "source_label": "SB-408124", "target_label": "acitretin", "cosine_similarity": 0.2025458663702011 } }, { "source": "CID:3371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "flufenamic-acid-cefoperazone similarity", "source_label": "flufenamic-acid", "target_label": "cefoperazone", "cosine_similarity": 0.2582303881645202 } }, { "source": "CID:44485323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666591", "properties": { "id": "SA-86418-SA-1922932 similarity", "source_label": "SA-86418", "target_label": "SA-1922932", "cosine_similarity": 0.2567615211009979 } }, { "source": "CID:51346455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "PF-03814735-palbociclib similarity", "source_label": "PF-03814735", "target_label": "palbociclib", "cosine_similarity": 0.3945709764957428 } }, { "source": "CID:2419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "BMY-7378-fumonisin-b1 similarity", "source_label": "BMY-7378", "target_label": "fumonisin-b1", "cosine_similarity": 0.3220215141773224 } }, { "source": "CID:4826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "pinacidil-mepivacaine similarity", "source_label": "pinacidil", "target_label": "mepivacaine", "cosine_similarity": 0.7804655432701111 } }, { "source": "CID:5665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "vigabatrin-NU-1025 similarity", "source_label": "vigabatrin", "target_label": "NU-1025", "cosine_similarity": 0.2119718939065933 } }, { "source": "CID:831629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "alda-1-sparfosic-acid similarity", "source_label": "alda-1", "target_label": "sparfosic-acid", "cosine_similarity": 0.515665590763092 } }, { "source": "CID:5904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "benzylpenicillin-anecortave-acetate similarity", "source_label": "benzylpenicillin", "target_label": "anecortave-acetate", "cosine_similarity": 0.2912541627883911 } }, { "source": "CID:3538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "GYKI-52466-rolipram similarity", "source_label": "GYKI-52466", "target_label": "rolipram", "cosine_similarity": 0.2664589881896972 } }, { "source": "CID:3162043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "MW-STK33-1B-gossypin similarity", "source_label": "MW-STK33-1B", "target_label": "gossypin", "cosine_similarity": 0.2636764943599701 } }, { "source": "CID:5472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "ticlopidine-anandamide similarity", "source_label": "ticlopidine", "target_label": "anandamide", "cosine_similarity": 0.376403659582138 } }, { "source": "CID:97807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "safrolglycol-PT-630 similarity", "source_label": "safrolglycol", "target_label": "PT-630", "cosine_similarity": 0.3088925182819366 } }, { "source": "CID:44485323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659373", "properties": { "id": "SA-86418-SA-1456305 similarity", "source_label": "SA-86418", "target_label": "SA-1456305", "cosine_similarity": 0.2723684310913086 } }, { "source": "CID:110635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2343", "properties": { "id": "tadalafil-benzthiazide similarity", "source_label": "tadalafil", "target_label": "benzthiazide", "cosine_similarity": 0.3088520467281341 } }, { "source": "CID:1400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "PP-1-BMS-536924 similarity", "source_label": "PP-1", "target_label": "BMS-536924", "cosine_similarity": 0.4414834082126617 } }, { "source": "CID:4445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "rhodomyrtoxin-obatoclax similarity", "source_label": "rhodomyrtoxin", "target_label": "obatoclax", "cosine_similarity": 0.4114882946014404 } }, { "source": "CID:51358113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978790", "properties": { "id": "torin-2-BGT-226 similarity", "source_label": "torin-2", "target_label": "BGT-226", "cosine_similarity": 0.7510858774185181 } }, { "source": "CID:10071166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "DCPIB-chelidonine similarity", "source_label": "DCPIB", "target_label": "chelidonine", "cosine_similarity": 0.3108693659305572 } }, { "source": "CID:45006158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16490", "properties": { "id": "betamethasone-acetate-flumetasone similarity", "source_label": "betamethasone-acetate", "target_label": "flumetasone", "cosine_similarity": 0.4775368571281433 } }, { "source": "CID:5281565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5013", "properties": { "id": "kawain-N-methylquipazine similarity", "source_label": "kawain", "target_label": "N-methylquipazine", "cosine_similarity": 0.2629391551017761 } }, { "source": "CID:6760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "skimmianine-alfuzosin similarity", "source_label": "skimmianine", "target_label": "alfuzosin", "cosine_similarity": 0.2734169960021972 } }, { "source": "CID:71350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "cinalukast-lodoxamide similarity", "source_label": "cinalukast", "target_label": "lodoxamide", "cosine_similarity": 0.205087661743164 } }, { "source": "CID:5312137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "SU-6656-THZ-2-98-01 similarity", "source_label": "SU-6656", "target_label": "THZ-2-98-01", "cosine_similarity": 0.2303688377141952 } }, { "source": "CID:3074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11327430", "properties": { "id": "dilazep-NU-7441 similarity", "source_label": "dilazep", "target_label": "NU-7441", "cosine_similarity": 0.2979805767536163 } }, { "source": "CID:9907093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "TGX-221-AZD-5363 similarity", "source_label": "TGX-221", "target_label": "AZD-5363", "cosine_similarity": 0.371678352355957 } }, { "source": "CID:18381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5487", "properties": { "id": "dicloxacillin-tizanidine similarity", "source_label": "dicloxacillin", "target_label": "tizanidine", "cosine_similarity": 0.4188900291919708 } }, { "source": "CID:2816236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "HTS-12264SC-CGK-733 similarity", "source_label": "HTS-12264SC", "target_label": "CGK-733", "cosine_similarity": 0.3386082947254181 } }, { "source": "CID:60186978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1938219-SA-1459714 similarity", "source_label": "SA-1938219", "target_label": "SA-1459714", "cosine_similarity": 0.2891698777675628 } }, { "source": "CID:3919910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15548", "properties": { "id": "tubaic-acid-laudanosine similarity", "source_label": "tubaic-acid", "target_label": "laudanosine", "cosine_similarity": 0.2575979828834533 } }, { "source": "CID:4595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "ondansetron-SGX-523 similarity", "source_label": "ondansetron", "target_label": "SGX-523", "cosine_similarity": 0.3341538608074188 } }, { "source": "CID:134778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "ICI-162846-gimeracil similarity", "source_label": "ICI-162846", "target_label": "gimeracil", "cosine_similarity": 0.5698217749595642 } }, { "source": "CID:2577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "carmofur-irinotecan similarity", "source_label": "carmofur", "target_label": "irinotecan", "cosine_similarity": 0.2843271195888519 } }, { "source": "CID:1234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155815", "properties": { "id": "gallopamil-varespladib similarity", "source_label": "gallopamil", "target_label": "varespladib", "cosine_similarity": 0.2687808871269226 } }, { "source": "CID:71277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "erythromycin-estolate-thioridazine similarity", "source_label": "erythromycin-estolate", "target_label": "thioridazine", "cosine_similarity": 0.5092312693595886 } }, { "source": "CID:158794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "ZD-2079-PT-630 similarity", "source_label": "ZD-2079", "target_label": "PT-630", "cosine_similarity": 0.3416098058223724 } }, { "source": "CID:16126898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "VTP-27999-probucol similarity", "source_label": "VTP-27999", "target_label": "probucol", "cosine_similarity": 0.3646149337291717 } }, { "source": "CID:10295295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5381", "properties": { "id": "palovarotene-tazarotene similarity", "source_label": "palovarotene", "target_label": "tazarotene", "cosine_similarity": 0.4056359827518463 } }, { "source": "CID:49849931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667012", "properties": { "id": "CAM-9-026-SA-1920327 similarity", "source_label": "CAM-9-026", "target_label": "SA-1920327", "cosine_similarity": 0.2191916406154632 } }, { "source": "CID:44601475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747215", "properties": { "id": "KUC103903N-JAS07-007 similarity", "source_label": "KUC103903N", "target_label": "JAS07-007", "cosine_similarity": 0.3628613948822021 } }, { "source": "CID:441140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "griseofulvin-dapivirine similarity", "source_label": "griseofulvin", "target_label": "dapivirine", "cosine_similarity": 0.6052024960517883 } }, { "source": "CID:45110765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "VU-0400071-3-SA-90024 similarity", "source_label": "VU-0400071-3", "target_label": "SA-90024", "cosine_similarity": 0.2437405437231063 } }, { "source": "CID:54654463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-1472542-SA-1462678 similarity", "source_label": "SA-1472542", "target_label": "SA-1462678", "cosine_similarity": 0.2683863639831543 } }, { "source": "CID:2754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "cilostazol-dorzolamide similarity", "source_label": "cilostazol", "target_label": "dorzolamide", "cosine_similarity": 0.4559105932712555 } }, { "source": "CID:2956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132846", "properties": { "id": "DAPT-GSI-IX-L-733060 similarity", "source_label": "DAPT-GSI-IX", "target_label": "L-733060", "cosine_similarity": 0.2414999902248382 } }, { "source": "CID:11351021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2833", "properties": { "id": "CYT-997-colchicine similarity", "source_label": "CYT-997", "target_label": "colchicine", "cosine_similarity": 0.7754919528961182 } }, { "source": "CID:3342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "fenoprofen-leucovorin similarity", "source_label": "fenoprofen", "target_label": "leucovorin", "cosine_similarity": 0.2363580465316772 } }, { "source": "CID:3913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "tetramisole-phenothiazine similarity", "source_label": "tetramisole", "target_label": "phenothiazine", "cosine_similarity": 0.3144210875034332 } }, { "source": "CID:54659352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-1455884-SA-1459714 similarity", "source_label": "SA-1455884", "target_label": "SA-1459714", "cosine_similarity": 0.3665821850299835 } }, { "source": "CID:4107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "methocarbamol-entecavir similarity", "source_label": "methocarbamol", "target_label": "entecavir", "cosine_similarity": 0.4526605904102325 } }, { "source": "CID:4302964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "KU-14R-EMF-csc-9 similarity", "source_label": "KU-14R", "target_label": "EMF-csc-9", "cosine_similarity": 0.2904169857501983 } }, { "source": "CID:71271629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "PFI-1-I-BET-151 similarity", "source_label": "PFI-1", "target_label": "I-BET-151", "cosine_similarity": 0.8711305856704712 } }, { "source": "CID:1676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "enprofylline-cholic-acid similarity", "source_label": "enprofylline", "target_label": "cholic-acid", "cosine_similarity": 0.3819721341133117 } }, { "source": "CID:3919910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "tubaic-acid-serotonin similarity", "source_label": "tubaic-acid", "target_label": "serotonin", "cosine_similarity": 0.2564267814159393 } }, { "source": "CID:2203170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13292831", "properties": { "id": "EMF-sumo1-2-prostaglandin similarity", "source_label": "EMF-sumo1-2", "target_label": "prostaglandin", "cosine_similarity": 0.3923226296901703 } }, { "source": "CID:54668959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484225", "properties": { "id": "SA-1919710-SA-90030 similarity", "source_label": "SA-1919710", "target_label": "SA-90030", "cosine_similarity": 0.2985696494579315 } }, { "source": "CID:695347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311042", "properties": { "id": "ST-4039884-CGP-55845 similarity", "source_label": "ST-4039884", "target_label": "CGP-55845", "cosine_similarity": 0.2849583625793457 } }, { "source": "CID:3488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "glibenclamide-estrone similarity", "source_label": "glibenclamide", "target_label": "estrone", "cosine_similarity": 0.4356923401355743 } }, { "source": "CID:11654378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "KIN001-269-SGX-523 similarity", "source_label": "KIN001-269", "target_label": "SGX-523", "cosine_similarity": 0.4665922224521637 } }, { "source": "CID:70882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25429", "properties": { "id": "moxaverine-carbendazim similarity", "source_label": "moxaverine", "target_label": "carbendazim", "cosine_similarity": 0.2911265194416046 } }, { "source": "CID:16129706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "somatostatin-darinaparsin similarity", "source_label": "somatostatin", "target_label": "darinaparsin", "cosine_similarity": 0.2565920650959015 } }, { "source": "CID:6708512", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5720188", "properties": { "id": "totaralolal-BH3I-1 similarity", "source_label": "totaralolal", "target_label": "BH3I-1", "cosine_similarity": 0.2241918742656707 } }, { "source": "CID:445713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2733768", "properties": { "id": "farnesylpyrophosphate-taurodeoxycholic-acid similarity", "source_label": "farnesylpyrophosphate", "target_label": "taurodeoxycholic-acid", "cosine_similarity": 0.1816017627716064 } }, { "source": "CID:46851313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60835", "properties": { "id": "ABT-639-duloxetine similarity", "source_label": "ABT-639", "target_label": "duloxetine", "cosine_similarity": 0.1558258831501007 } }, { "source": "CID:1206243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288674", "properties": { "id": "mirin-alvespimycin similarity", "source_label": "mirin", "target_label": "alvespimycin", "cosine_similarity": 0.2955616116523742 } }, { "source": "CID:60663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "mibefradil-amiodarone similarity", "source_label": "mibefradil", "target_label": "amiodarone", "cosine_similarity": 0.4947930872440338 } }, { "source": "CID:6449767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "arvanil-CVF-SUMO-7 similarity", "source_label": "arvanil", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.4599949419498443 } }, { "source": "CID:24906282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "KIN001-043-CHIR-99021 similarity", "source_label": "KIN001-043", "target_label": "CHIR-99021", "cosine_similarity": 0.603913426399231 } }, { "source": "CID:5281855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "ellagic-acid-DL-TBOA similarity", "source_label": "ellagic-acid", "target_label": "DL-TBOA", "cosine_similarity": 0.4217665195465088 } }, { "source": "CID:2099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44473128", "properties": { "id": "alosetron-KU-C103672 similarity", "source_label": "alosetron", "target_label": "KU-C103672", "cosine_similarity": 0.3288061022758484 } }, { "source": "CID:11364421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10461508", "properties": { "id": "BI-2536-volasertib similarity", "source_label": "BI-2536", "target_label": "volasertib", "cosine_similarity": 0.8208671808242798 } }, { "source": "CID:16129706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "somatostatin-NU-1025 similarity", "source_label": "somatostatin", "target_label": "NU-1025", "cosine_similarity": 0.2614790201187134 } }, { "source": "CID:44507247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "SA-1017940-SA-247714 similarity", "source_label": "SA-1017940", "target_label": "SA-247714", "cosine_similarity": 0.5551571249961853 } }, { "source": "CID:18283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "stavudine-actarit similarity", "source_label": "stavudine", "target_label": "actarit", "cosine_similarity": 0.2934595644474029 } }, { "source": "CID:2803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "clonidine-aspirin similarity", "source_label": "clonidine", "target_label": "aspirin", "cosine_similarity": 0.3655350804328918 } }, { "source": "CID:68827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65664", "properties": { "id": "artemisinin-artesunate similarity", "source_label": "artemisinin", "target_label": "artesunate", "cosine_similarity": 0.2397496402263641 } }, { "source": "CID:445580", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "doconexent-NSC-95397 similarity", "source_label": "doconexent", "target_label": "NSC-95397", "cosine_similarity": 0.5062322616577148 } }, { "source": "CID:44492086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:183470", "properties": { "id": "SD-8-006-U-54494A similarity", "source_label": "SD-8-006", "target_label": "U-54494A", "cosine_similarity": 0.2502833008766174 } }, { "source": "CID:54669111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6834", "properties": { "id": "SA-1921614-brompheniramine similarity", "source_label": "SA-1921614", "target_label": "brompheniramine", "cosine_similarity": 0.2390679866075515 } }, { "source": "CID:64139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44187", "properties": { "id": "efavirenz-cefoperazone similarity", "source_label": "efavirenz", "target_label": "cefoperazone", "cosine_similarity": 0.4238994121551513 } }, { "source": "CID:5354033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "U-0126-PD-184352 similarity", "source_label": "U-0126", "target_label": "PD-184352", "cosine_similarity": 0.625942587852478 } }, { "source": "CID:11395181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "NCH-51-dacinostat similarity", "source_label": "NCH-51", "target_label": "dacinostat", "cosine_similarity": 0.8284181952476501 } }, { "source": "CID:5288382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6505803", "properties": { "id": "geldanamycin-tanespimycin similarity", "source_label": "geldanamycin", "target_label": "tanespimycin", "cosine_similarity": 0.930849313735962 } }, { "source": "CID:44616738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190124", "properties": { "id": "SA-427228-SA-1939007 similarity", "source_label": "SA-427228", "target_label": "SA-1939007", "cosine_similarity": 0.334258884191513 } }, { "source": "CID:54657712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433109", "properties": { "id": "SA-1457945-XBD-173 similarity", "source_label": "SA-1457945", "target_label": "XBD-173", "cosine_similarity": 0.1892265975475311 } }, { "source": "CID:54657705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "SA-1459172-BG-STK33-55 similarity", "source_label": "SA-1459172", "target_label": "BG-STK33-55", "cosine_similarity": 0.3326795101165771 } }, { "source": "CID:5720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "zaltoprofen-CFM-2 similarity", "source_label": "zaltoprofen", "target_label": "CFM-2", "cosine_similarity": 0.2094572782516479 } }, { "source": "CID:2820381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "KM-03949SC-AG-592 similarity", "source_label": "KM-03949SC", "target_label": "AG-592", "cosine_similarity": 0.5697149634361267 } }, { "source": "CID:151289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "evodiamine-NU-1025 similarity", "source_label": "evodiamine", "target_label": "NU-1025", "cosine_similarity": 0.413720428943634 } }, { "source": "CID:10228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4849", "properties": { "id": "osthol-piretanide similarity", "source_label": "osthol", "target_label": "piretanide", "cosine_similarity": 0.2137215584516525 } }, { "source": "CID:23986045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "karakoline-dubinidine similarity", "source_label": "karakoline", "target_label": "dubinidine", "cosine_similarity": 0.3566728830337524 } }, { "source": "CID:6444692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "mubritinib-neostigmine similarity", "source_label": "mubritinib", "target_label": "neostigmine", "cosine_similarity": 0.3369820415973663 } }, { "source": "CID:5291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "imatinib-trifluoperazine similarity", "source_label": "imatinib", "target_label": "trifluoperazine", "cosine_similarity": 0.4747162163257599 } }, { "source": "CID:42636350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "AZD-7687-actarit similarity", "source_label": "AZD-7687", "target_label": "actarit", "cosine_similarity": 0.6478737592697144 } }, { "source": "CID:60186973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192484", "properties": { "id": "SA-1938111-SA-1925621 similarity", "source_label": "SA-1938111", "target_label": "SA-1925621", "cosine_similarity": 0.288636177778244 } }, { "source": "CID:24857885", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548942", "properties": { "id": "PTB1-capsaicin similarity", "source_label": "PTB1", "target_label": "capsaicin", "cosine_similarity": 0.4575434327125549 } }, { "source": "CID:996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487665", "properties": { "id": "phenol-SA-85377 similarity", "source_label": "phenol", "target_label": "SA-85377", "cosine_similarity": 0.1634616702795028 } }, { "source": "CID:6834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669111", "properties": { "id": "brompheniramine-SA-1921614 similarity", "source_label": "brompheniramine", "target_label": "SA-1921614", "cosine_similarity": 0.2390679866075515 } }, { "source": "CID:65833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "milnacipran-alaproclate similarity", "source_label": "milnacipran", "target_label": "alaproclate", "cosine_similarity": 0.5005179643630981 } }, { "source": "CID:17142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "teroxirone-mitomycin-c similarity", "source_label": "teroxirone", "target_label": "mitomycin-c", "cosine_similarity": 0.3072944283485412 } }, { "source": "CID:5282219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "sofalcone-PF-04620110 similarity", "source_label": "sofalcone", "target_label": "PF-04620110", "cosine_similarity": 0.5302755236625671 } }, { "source": "CID:49843318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "SD-6-035-A11-taselisib similarity", "source_label": "SD-6-035-A11", "target_label": "taselisib", "cosine_similarity": 0.3156929314136505 } }, { "source": "CID:5284583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "levetiracetam-linsidomine similarity", "source_label": "levetiracetam", "target_label": "linsidomine", "cosine_similarity": 0.4980763792991638 } }, { "source": "CID:44494782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-96816-SA-427604 similarity", "source_label": "SA-96816", "target_label": "SA-427604", "cosine_similarity": 0.4223510921001434 } }, { "source": "CID:4728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "penicillic-acid-MD-II-051 similarity", "source_label": "penicillic-acid", "target_label": "MD-II-051", "cosine_similarity": 0.394970178604126 } }, { "source": "CID:41214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "meglitinide-nemonapride similarity", "source_label": "meglitinide", "target_label": "nemonapride", "cosine_similarity": 0.5027924180030823 } }, { "source": "CID:2055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "AG-494-K784-3188 similarity", "source_label": "AG-494", "target_label": "K784-3188", "cosine_similarity": 0.3517986834049225 } }, { "source": "CID:5362119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "lisinopril-apocynin similarity", "source_label": "lisinopril", "target_label": "apocynin", "cosine_similarity": 0.45809206366539 } }, { "source": "CID:2146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "aminoguanidine-tazobactam similarity", "source_label": "aminoguanidine", "target_label": "tazobactam", "cosine_similarity": 0.5100607872009277 } }, { "source": "CID:5453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "thiotepa-darinaparsin similarity", "source_label": "thiotepa", "target_label": "darinaparsin", "cosine_similarity": 0.2951939404010772 } }, { "source": "CID:5205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3938007", "properties": { "id": "setiptiline-ZD-7288 similarity", "source_label": "setiptiline", "target_label": "ZD-7288", "cosine_similarity": 0.5181260704994202 } }, { "source": "CID:23874513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "asiaticoside-NM-PP1 similarity", "source_label": "asiaticoside", "target_label": "NM-PP1", "cosine_similarity": 0.2474043667316436 } }, { "source": "CID:6215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "fluocinolone-dexamethasone similarity", "source_label": "fluocinolone", "target_label": "dexamethasone", "cosine_similarity": 0.342946857213974 } }, { "source": "CID:59768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24770514", "properties": { "id": "esmolol-CPI-613 similarity", "source_label": "esmolol", "target_label": "CPI-613", "cosine_similarity": 0.4363406300544739 } }, { "source": "CID:54669111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497655", "properties": { "id": "SA-1921614-SA-102676 similarity", "source_label": "SA-1921614", "target_label": "SA-102676", "cosine_similarity": 0.3552400469779968 } }, { "source": "CID:9816959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5533", "properties": { "id": "CO-102862-trazodone similarity", "source_label": "CO-102862", "target_label": "trazodone", "cosine_similarity": 0.4337711930274963 } }, { "source": "CID:2576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "carisoprodol-liranaftate similarity", "source_label": "carisoprodol", "target_label": "liranaftate", "cosine_similarity": 0.2269237488508224 } }, { "source": "CID:2549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "capsazepine-EMF-bca1-16 similarity", "source_label": "capsazepine", "target_label": "EMF-bca1-16", "cosine_similarity": 0.6235201358795166 } }, { "source": "CID:4355450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "LY-225910-ZM-336372 similarity", "source_label": "LY-225910", "target_label": "ZM-336372", "cosine_similarity": 0.209770455956459 } }, { "source": "CID:9872438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "SSR-69071-K784-3188 similarity", "source_label": "SSR-69071", "target_label": "K784-3188", "cosine_similarity": 0.613700270652771 } }, { "source": "CID:153948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2286", "properties": { "id": "ranirestat-BADGE similarity", "source_label": "ranirestat", "target_label": "BADGE", "cosine_similarity": 0.1247129365801811 } }, { "source": "CID:2893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "cyclandelate-PF-04620110 similarity", "source_label": "cyclandelate", "target_label": "PF-04620110", "cosine_similarity": 0.2167899757623672 } }, { "source": "CID:127951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "RS-45041-190-probucol similarity", "source_label": "RS-45041-190", "target_label": "probucol", "cosine_similarity": 0.2171219289302826 } }, { "source": "CID:564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "aminocaproic-acid-vortioxetine similarity", "source_label": "aminocaproic-acid", "target_label": "vortioxetine", "cosine_similarity": 0.4091810882091522 } }, { "source": "CID:71157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "nefiracetam-dideoxyadenosine similarity", "source_label": "nefiracetam", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3937786519527435 } }, { "source": "CID:2801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "clomipramine-CCT-031374 similarity", "source_label": "clomipramine", "target_label": "CCT-031374", "cosine_similarity": 0.6859657764434814 } }, { "source": "CID:9931954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "rucaparib-AG-14361 similarity", "source_label": "rucaparib", "target_label": "AG-14361", "cosine_similarity": 0.6794012188911438 } }, { "source": "CID:2266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "azelaic-acid-zaprinast similarity", "source_label": "azelaic-acid", "target_label": "zaprinast", "cosine_similarity": 0.3588367700576782 } }, { "source": "CID:5152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "salmeterol-tandutinib similarity", "source_label": "salmeterol", "target_label": "tandutinib", "cosine_similarity": 0.5993415117263794 } }, { "source": "CID:3351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660187", "properties": { "id": "fipexide-SA-1455822 similarity", "source_label": "fipexide", "target_label": "SA-1455822", "cosine_similarity": 0.2515178620815277 } }, { "source": "CID:439503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "salicin-DL-TBOA similarity", "source_label": "salicin", "target_label": "DL-TBOA", "cosine_similarity": 0.2938700318336487 } }, { "source": "CID:178024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "ibutamoren-meclizine similarity", "source_label": "ibutamoren", "target_label": "meclizine", "cosine_similarity": 0.5163949728012085 } }, { "source": "CID:56959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33625", "properties": { "id": "ranolazine-indoramin similarity", "source_label": "ranolazine", "target_label": "indoramin", "cosine_similarity": 0.3057043552398681 } }, { "source": "CID:44490857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489864", "properties": { "id": "SA-103123-SA-424589 similarity", "source_label": "SA-103123", "target_label": "SA-424589", "cosine_similarity": 0.4231068193912506 } }, { "source": "CID:3121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6675804", "properties": { "id": "valproic-acid-tubacin similarity", "source_label": "valproic-acid", "target_label": "tubacin", "cosine_similarity": 0.4897362291812897 } }, { "source": "CID:10081070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15074", "properties": { "id": "butyrolactone-isonicotinamide similarity", "source_label": "butyrolactone", "target_label": "isonicotinamide", "cosine_similarity": 0.3883244693279266 } }, { "source": "CID:65909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "zaldaride-beclomethasone-dipropionate similarity", "source_label": "zaldaride", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.286666601896286 } }, { "source": "CID:6604789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "RS-56812-molsidomine similarity", "source_label": "RS-56812", "target_label": "molsidomine", "cosine_similarity": 0.4131362438201904 } }, { "source": "CID:119584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "mosapride-JAS07-006 similarity", "source_label": "mosapride", "target_label": "JAS07-006", "cosine_similarity": 0.3774058222770691 } }, { "source": "CID:5277135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "elvitegravir-felodipine similarity", "source_label": "elvitegravir", "target_label": "felodipine", "cosine_similarity": 0.2780828773975372 } }, { "source": "CID:54660070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659633", "properties": { "id": "SA-1456734-SA-1456220 similarity", "source_label": "SA-1456734", "target_label": "SA-1456220", "cosine_similarity": 0.3778879940509796 } }, { "source": "CID:11519070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "umeclidinium-anecortave-acetate similarity", "source_label": "umeclidinium", "target_label": "anecortave-acetate", "cosine_similarity": 0.3361680209636688 } }, { "source": "CID:5282493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "clocortolone-pivalate-dexamethasone similarity", "source_label": "clocortolone-pivalate", "target_label": "dexamethasone", "cosine_similarity": 0.6786412000656128 } }, { "source": "CID:3467590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13927310", "properties": { "id": "STO-609-KUC103423N similarity", "source_label": "STO-609", "target_label": "KUC103423N", "cosine_similarity": 0.2580779790878296 } }, { "source": "CID:5400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "TER-14687-butein similarity", "source_label": "TER-14687", "target_label": "butein", "cosine_similarity": 0.3822309076786041 } }, { "source": "CID:130611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610267", "properties": { "id": "kifunensine-EI-231 similarity", "source_label": "kifunensine", "target_label": "EI-231", "cosine_similarity": 0.2475064545869827 } }, { "source": "CID:11552757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "LY-2365109-entecavir similarity", "source_label": "LY-2365109", "target_label": "entecavir", "cosine_similarity": 0.3932721614837646 } }, { "source": "CID:3519541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5626", "properties": { "id": "CGP-13501-U-99194 similarity", "source_label": "CGP-13501", "target_label": "U-99194", "cosine_similarity": 0.3182111382484436 } }, { "source": "CID:173614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "GR-144053-dienestrol similarity", "source_label": "GR-144053", "target_label": "dienestrol", "cosine_similarity": 0.2881194949150085 } }, { "source": "CID:300471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "elesclomol-SA-792709 similarity", "source_label": "elesclomol", "target_label": "SA-792709", "cosine_similarity": 0.4635628163814544 } }, { "source": "CID:5330790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918852", "properties": { "id": "JNJ-7706621-R-547 similarity", "source_label": "JNJ-7706621", "target_label": "R-547", "cosine_similarity": 0.5791082382202148 } }, { "source": "CID:135398745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4236", "properties": { "id": "olanzapine-modafinil similarity", "source_label": "olanzapine", "target_label": "modafinil", "cosine_similarity": 0.3586317002773285 } }, { "source": "CID:3033769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "raclopride-fluconazole similarity", "source_label": "raclopride", "target_label": "fluconazole", "cosine_similarity": 0.3250501155853271 } }, { "source": "CID:19582717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "CHEMBL-1222381-mocetinostat similarity", "source_label": "CHEMBL-1222381", "target_label": "mocetinostat", "cosine_similarity": 0.4576404392719269 } }, { "source": "CID:44489864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SA-424589-JAS07-006 similarity", "source_label": "SA-424589", "target_label": "JAS07-006", "cosine_similarity": 0.3666960000991821 } }, { "source": "CID:54657713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483957", "properties": { "id": "SA-1459963-SA-424936 similarity", "source_label": "SA-1459963", "target_label": "SA-424936", "cosine_similarity": 0.278193861246109 } }, { "source": "CID:31072", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "carbimazole-GDC-0199 similarity", "source_label": "carbimazole", "target_label": "GDC-0199", "cosine_similarity": 0.3255267143249511 } }, { "source": "CID:5387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "telenzepine-zebularine similarity", "source_label": "telenzepine", "target_label": "zebularine", "cosine_similarity": 0.2870879173278808 } }, { "source": "CID:5287620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51348735", "properties": { "id": "brefeldin-a-hyperforin similarity", "source_label": "brefeldin-a", "target_label": "hyperforin", "cosine_similarity": 0.5199846625328064 } }, { "source": "CID:5024764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5816", "properties": { "id": "CGP-7930-epinephrine similarity", "source_label": "CGP-7930", "target_label": "epinephrine", "cosine_similarity": 0.2449563294649124 } }, { "source": "CID:24856237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "FU-JMBII105B-SA-792709 similarity", "source_label": "FU-JMBII105B", "target_label": "SA-792709", "cosine_similarity": 0.4194519519805908 } }, { "source": "CID:6077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "acepromazine-rilmenidine similarity", "source_label": "acepromazine", "target_label": "rilmenidine", "cosine_similarity": 0.2628544867038727 } }, { "source": "CID:73707405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "CT-200783-NSC-632839 similarity", "source_label": "CT-200783", "target_label": "NSC-632839", "cosine_similarity": 0.7802515625953674 } }, { "source": "CID:1548887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441728", "properties": { "id": "sulindac-deltaline similarity", "source_label": "sulindac", "target_label": "deltaline", "cosine_similarity": 0.2871889173984527 } }, { "source": "CID:3306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442428", "properties": { "id": "etilefrine-naringin similarity", "source_label": "etilefrine", "target_label": "naringin", "cosine_similarity": 0.3026475012302398 } }, { "source": "CID:5280453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281104", "properties": { "id": "calcitriol-paricalcitol similarity", "source_label": "calcitriol", "target_label": "paricalcitol", "cosine_similarity": 0.4160683751106262 } }, { "source": "CID:51039095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "AZD-4547-cobimetinib similarity", "source_label": "AZD-4547", "target_label": "cobimetinib", "cosine_similarity": 0.4146846830844879 } }, { "source": "CID:56839178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1830", "properties": { "id": "TP-0903-5-iodotubercidin similarity", "source_label": "TP-0903", "target_label": "5-iodotubercidin", "cosine_similarity": 0.6634226441383362 } }, { "source": "CID:5040063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:76033918", "properties": { "id": "PPT-methylstat similarity", "source_label": "PPT", "target_label": "methylstat", "cosine_similarity": 0.189920037984848 } }, { "source": "CID:5353633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282593", "properties": { "id": "farnesylthiotriazole-homatropine similarity", "source_label": "farnesylthiotriazole", "target_label": "homatropine", "cosine_similarity": 0.1857948303222656 } }, { "source": "CID:5411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282459", "properties": { "id": "tetracaine-cinepazide similarity", "source_label": "tetracaine", "target_label": "cinepazide", "cosine_similarity": 0.3584390878677368 } }, { "source": "CID:54655268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "SA-1462246-apafant similarity", "source_label": "SA-1462246", "target_label": "apafant", "cosine_similarity": 0.2582578957080841 } }, { "source": "CID:44483298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "methylprednisolone-rimexolone similarity", "source_label": "methylprednisolone", "target_label": "rimexolone", "cosine_similarity": 0.6906532645225525 } }, { "source": "CID:5626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "U-99194-myriocin similarity", "source_label": "U-99194", "target_label": "myriocin", "cosine_similarity": 0.290412038564682 } }, { "source": "CID:441140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "griseofulvin-cisapride similarity", "source_label": "griseofulvin", "target_label": "cisapride", "cosine_similarity": 0.5129895210266113 } }, { "source": "CID:4943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899541", "properties": { "id": "propofol-DNQX similarity", "source_label": "propofol", "target_label": "DNQX", "cosine_similarity": 0.2953549325466156 } }, { "source": "CID:73707357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9458", "properties": { "id": "mebhydrolin-triflusal similarity", "source_label": "mebhydrolin", "target_label": "triflusal", "cosine_similarity": 0.2128755748271942 } }, { "source": "CID:6918537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "vildagliptin-REV-5901 similarity", "source_label": "vildagliptin", "target_label": "REV-5901", "cosine_similarity": 0.2807541787624359 } }, { "source": "CID:4698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54892", "properties": { "id": "PCA-4248-quinapril similarity", "source_label": "PCA-4248", "target_label": "quinapril", "cosine_similarity": 0.2320155948400497 } }, { "source": "CID:73707421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "ascorbic-acid-ICI-162846 similarity", "source_label": "ascorbic-acid", "target_label": "ICI-162846", "cosine_similarity": 0.2796202600002289 } }, { "source": "CID:49849931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "CAM-9-026-DAC-009 similarity", "source_label": "CAM-9-026", "target_label": "DAC-009", "cosine_similarity": 0.216923102736473 } }, { "source": "CID:3310692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667717", "properties": { "id": "leoidin-alclometasone similarity", "source_label": "leoidin", "target_label": "alclometasone", "cosine_similarity": 0.2341764271259308 } }, { "source": "CID:3002120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59174488", "properties": { "id": "sulbutiamine-AVL-292 similarity", "source_label": "sulbutiamine", "target_label": "AVL-292", "cosine_similarity": 0.3565077185630798 } }, { "source": "CID:17753743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "oprozomib-ixazomib similarity", "source_label": "oprozomib", "target_label": "ixazomib", "cosine_similarity": 0.8353753685951233 } }, { "source": "CID:10294813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "genz-644282-irinotecan similarity", "source_label": "genz-644282", "target_label": "irinotecan", "cosine_similarity": 0.6585929989814758 } }, { "source": "CID:5011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "quipazine-naltrexone similarity", "source_label": "quipazine", "target_label": "naltrexone", "cosine_similarity": 0.3102092146873474 } }, { "source": "CID:53245456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "TUL_XIX003-TUL-XX023 similarity", "source_label": "TUL_XIX003", "target_label": "TUL-XX023", "cosine_similarity": 0.6939500570297241 } }, { "source": "CID:49766538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "MW-RAS9-rocuronium similarity", "source_label": "MW-RAS9", "target_label": "rocuronium", "cosine_similarity": 0.2853535413742065 } }, { "source": "CID:5280567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "hymecromone-aminocaproic-acid similarity", "source_label": "hymecromone", "target_label": "aminocaproic-acid", "cosine_similarity": 0.3125222027301788 } }, { "source": "CID:10783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "clomethiazole-dipyridamole similarity", "source_label": "clomethiazole", "target_label": "dipyridamole", "cosine_similarity": 0.3702727258205414 } }, { "source": "CID:44489675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25161177", "properties": { "id": "EMF-BCA1-57-MLN-2480 similarity", "source_label": "EMF-BCA1-57", "target_label": "MLN-2480", "cosine_similarity": 0.2557549178600311 } }, { "source": "CID:44093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8215", "properties": { "id": "captopril-AGP-103 similarity", "source_label": "captopril", "target_label": "AGP-103", "cosine_similarity": 0.2278887778520584 } }, { "source": "CID:21071390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6041", "properties": { "id": "idalopirdine-phenylephrine similarity", "source_label": "idalopirdine", "target_label": "phenylephrine", "cosine_similarity": 0.2897146046161651 } }, { "source": "CID:5270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "SQ-22536-idelalisib similarity", "source_label": "SQ-22536", "target_label": "idelalisib", "cosine_similarity": 0.293950468301773 } }, { "source": "CID:16760044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3973", "properties": { "id": "latrunculin-b-LY-294002 similarity", "source_label": "latrunculin-b", "target_label": "LY-294002", "cosine_similarity": 0.4449141919612884 } }, { "source": "CID:3971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "LY-303511-OTX-015 similarity", "source_label": "LY-303511", "target_label": "OTX-015", "cosine_similarity": 0.3174084722995758 } }, { "source": "CID:44601470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5392245", "properties": { "id": "KUC103893N-calycanthine similarity", "source_label": "KUC103893N", "target_label": "calycanthine", "cosine_similarity": 0.2532808184623718 } }, { "source": "CID:5311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5186", "properties": { "id": "vorinostat-scriptaid similarity", "source_label": "vorinostat", "target_label": "scriptaid", "cosine_similarity": 0.9019309282302856 } }, { "source": "CID:2286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "BADGE-NSC-632839 similarity", "source_label": "BADGE", "target_label": "NSC-632839", "cosine_similarity": 0.6280373334884644 } }, { "source": "CID:1548942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "capsaicin-PF-04457845 similarity", "source_label": "capsaicin", "target_label": "PF-04457845", "cosine_similarity": 0.4177155494689941 } }, { "source": "CID:10052040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92722", "properties": { "id": "CP-945598-argatroban similarity", "source_label": "CP-945598", "target_label": "argatroban", "cosine_similarity": 0.3575755953788757 } }, { "source": "CID:25105713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "VU-0155069-obatoclax similarity", "source_label": "VU-0155069", "target_label": "obatoclax", "cosine_similarity": 0.5574653744697571 } }, { "source": "CID:151166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2730", "properties": { "id": "lumiracoxib-chlorpyrifos similarity", "source_label": "lumiracoxib", "target_label": "chlorpyrifos", "cosine_similarity": 0.2699916660785675 } }, { "source": "CID:4919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19003", "properties": { "id": "procyclidine-ciclacillin similarity", "source_label": "procyclidine", "target_label": "ciclacillin", "cosine_similarity": 0.2059867531061172 } }, { "source": "CID:4806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2803", "properties": { "id": "phthalylsulfathiazole-clonidine similarity", "source_label": "phthalylsulfathiazole", "target_label": "clonidine", "cosine_similarity": 0.2609925866127014 } }, { "source": "CID:133633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "L-741626-NTNCB similarity", "source_label": "L-741626", "target_label": "NTNCB", "cosine_similarity": 0.5103377103805542 } }, { "source": "CID:5311309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "nateglinide-apocynin similarity", "source_label": "nateglinide", "target_label": "apocynin", "cosine_similarity": 0.4863674342632293 } }, { "source": "CID:9909648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5392245", "properties": { "id": "PNU-96415E-calycanthine similarity", "source_label": "PNU-96415E", "target_label": "calycanthine", "cosine_similarity": 0.3024744987487793 } }, { "source": "CID:16122663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "mericitabine-vinpocetine similarity", "source_label": "mericitabine", "target_label": "vinpocetine", "cosine_similarity": 0.3205501735210418 } }, { "source": "CID:1329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "DPCPX-oxatomide similarity", "source_label": "DPCPX", "target_label": "oxatomide", "cosine_similarity": 0.4688605964183807 } }, { "source": "CID:168868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "methyllidocaine-triprolidine similarity", "source_label": "methyllidocaine", "target_label": "triprolidine", "cosine_similarity": 0.2502337098121643 } }, { "source": "CID:44502578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503242", "properties": { "id": "SA-244358-SA-244587 similarity", "source_label": "SA-244358", "target_label": "SA-244587", "cosine_similarity": 0.3559185862541199 } }, { "source": "CID:5034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "GW-5074-GNF-2 similarity", "source_label": "GW-5074", "target_label": "GNF-2", "cosine_similarity": 0.4540075957775116 } }, { "source": "CID:73707441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "YL-60-beclometasone similarity", "source_label": "YL-60", "target_label": "beclometasone", "cosine_similarity": 0.2869520783424377 } }, { "source": "CID:73707408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "megestrol-budesonide similarity", "source_label": "megestrol", "target_label": "budesonide", "cosine_similarity": 0.2302111387252807 } }, { "source": "CID:73707525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "COL-3-I-070759 similarity", "source_label": "COL-3", "target_label": "I-070759", "cosine_similarity": 0.6344329118728638 } }, { "source": "CID:58144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "indolophenanthridine-BIBU-1361 similarity", "source_label": "indolophenanthridine", "target_label": "BIBU-1361", "cosine_similarity": 0.2534372210502624 } }, { "source": "CID:11234049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "tedizolid-carglumic-acid similarity", "source_label": "tedizolid", "target_label": "carglumic-acid", "cosine_similarity": 0.3323722183704376 } }, { "source": "CID:24747215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "JAS07-007-NM-PP1 similarity", "source_label": "JAS07-007", "target_label": "NM-PP1", "cosine_similarity": 0.3233384788036346 } }, { "source": "CID:9543540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707549", "properties": { "id": "BML-210-BG-1010 similarity", "source_label": "BML-210", "target_label": "BG-1010", "cosine_similarity": 0.6323643922805786 } }, { "source": "CID:443375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "devazepide-F-1566-0341 similarity", "source_label": "devazepide", "target_label": "F-1566-0341", "cosine_similarity": 0.5144883990287781 } }, { "source": "CID:5024764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77999", "properties": { "id": "CGP-7930-rosiglitazone similarity", "source_label": "CGP-7930", "target_label": "rosiglitazone", "cosine_similarity": 0.2487902343273162 } }, { "source": "CID:10427712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44557636", "properties": { "id": "TG-100115-dipraglurant similarity", "source_label": "TG-100115", "target_label": "dipraglurant", "cosine_similarity": 0.341651052236557 } }, { "source": "CID:129009918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "pregnenolone-amisulpride similarity", "source_label": "pregnenolone", "target_label": "amisulpride", "cosine_similarity": 0.4658532738685608 } }, { "source": "CID:2442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "bromhexine-HO-013 similarity", "source_label": "bromhexine", "target_label": "HO-013", "cosine_similarity": 0.2995995283126831 } }, { "source": "CID:6883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "isosorbide-dinitrate-resatorvid similarity", "source_label": "isosorbide-dinitrate", "target_label": "resatorvid", "cosine_similarity": 0.2072249948978424 } }, { "source": "CID:5328768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "TYRPHOSTIN-46-UB-165 similarity", "source_label": "TYRPHOSTIN-46", "target_label": "UB-165", "cosine_similarity": 0.2960205376148224 } }, { "source": "CID:10343454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "vercirnon-felodipine similarity", "source_label": "vercirnon", "target_label": "felodipine", "cosine_similarity": 0.1714377850294113 } }, { "source": "CID:23606608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "EMF-sumo1-10-amisulpride similarity", "source_label": "EMF-sumo1-10", "target_label": "amisulpride", "cosine_similarity": 0.3389089703559875 } }, { "source": "CID:5288320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "topiroxostat-dorzolamide similarity", "source_label": "topiroxostat", "target_label": "dorzolamide", "cosine_similarity": 0.3315837681293487 } }, { "source": "CID:71815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50942", "properties": { "id": "secnidazole-doxofylline similarity", "source_label": "secnidazole", "target_label": "doxofylline", "cosine_similarity": 0.3770534992218017 } }, { "source": "CID:5591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "troglitazone-lorazepam similarity", "source_label": "troglitazone", "target_label": "lorazepam", "cosine_similarity": 0.4535700976848602 } }, { "source": "CID:5493444", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "aliskiren-S-18986 similarity", "source_label": "aliskiren", "target_label": "S-18986", "cosine_similarity": 0.4919196665287018 } }, { "source": "CID:73707534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3607", "properties": { "id": "KDM-103-hexetidine similarity", "source_label": "KDM-103", "target_label": "hexetidine", "cosine_similarity": 0.2537566721439361 } }, { "source": "CID:4021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44205240", "properties": { "id": "edaravone-baricitinib similarity", "source_label": "edaravone", "target_label": "baricitinib", "cosine_similarity": 0.3106722235679626 } }, { "source": "CID:53246986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5488548", "properties": { "id": "LY-2979165-alvimopan similarity", "source_label": "LY-2979165", "target_label": "alvimopan", "cosine_similarity": 0.1717763692140579 } }, { "source": "CID:5036604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "eugenitol-alda-1 similarity", "source_label": "eugenitol", "target_label": "alda-1", "cosine_similarity": 0.2659507989883423 } }, { "source": "CID:11404337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "obatoclax-terfenadine similarity", "source_label": "obatoclax", "target_label": "terfenadine", "cosine_similarity": 0.6726409792900085 } }, { "source": "CID:445070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "farnesol-imiquimod similarity", "source_label": "farnesol", "target_label": "imiquimod", "cosine_similarity": 0.3082550168037414 } }, { "source": "CID:6710740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "endecaphyllin-x-6-hydroxytropinone similarity", "source_label": "endecaphyllin-x", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.2560280859470367 } }, { "source": "CID:10783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3718", "properties": { "id": "clomethiazole-indoprofen similarity", "source_label": "clomethiazole", "target_label": "indoprofen", "cosine_similarity": 0.3186943829059601 } }, { "source": "CID:44483259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "manumycin-a-NSC-632839 similarity", "source_label": "manumycin-a", "target_label": "NSC-632839", "cosine_similarity": 0.8565149307250977 } }, { "source": "CID:4708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "PD-168393-wortmannin similarity", "source_label": "PD-168393", "target_label": "wortmannin", "cosine_similarity": 0.5044911503791809 } }, { "source": "CID:49848070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "taladegib-saxagliptin similarity", "source_label": "taladegib", "target_label": "saxagliptin", "cosine_similarity": 0.4853751063346863 } }, { "source": "CID:679758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "ST-209453-BG-STK33-03 similarity", "source_label": "ST-209453", "target_label": "BG-STK33-03", "cosine_similarity": 0.2915392518043518 } }, { "source": "CID:421610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "GANT-61-perphenazine similarity", "source_label": "GANT-61", "target_label": "perphenazine", "cosine_similarity": 0.2886345982551574 } }, { "source": "CID:5656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "venlafaxine-marbofloxacin similarity", "source_label": "venlafaxine", "target_label": "marbofloxacin", "cosine_similarity": 0.3959898352622986 } }, { "source": "CID:46931007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "daunorubicin-dactinomycin similarity", "source_label": "daunorubicin", "target_label": "dactinomycin", "cosine_similarity": 0.6762685775756836 } }, { "source": "CID:24747273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "PSH-010-NM-PP1 similarity", "source_label": "PSH-010", "target_label": "NM-PP1", "cosine_similarity": 0.3258601129055023 } }, { "source": "CID:54657707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "SA-1459291-DL-TBOA similarity", "source_label": "SA-1459291", "target_label": "DL-TBOA", "cosine_similarity": 0.2835783958435058 } }, { "source": "CID:49836027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "torin-1-MLN-0128 similarity", "source_label": "torin-1", "target_label": "MLN-0128", "cosine_similarity": 0.8383399844169617 } }, { "source": "CID:60860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "iobenguane-pepstatin similarity", "source_label": "iobenguane", "target_label": "pepstatin", "cosine_similarity": 0.3199676275253296 } }, { "source": "CID:44487334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "SA-89705-SA-1920722 similarity", "source_label": "SA-89705", "target_label": "SA-1920722", "cosine_similarity": 0.270579069852829 } }, { "source": "CID:3038522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "tandutinib-salmeterol similarity", "source_label": "tandutinib", "target_label": "salmeterol", "cosine_similarity": 0.5993415117263794 } }, { "source": "CID:3081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4410", "properties": { "id": "dimethadione-nadifloxacin similarity", "source_label": "dimethadione", "target_label": "nadifloxacin", "cosine_similarity": 0.2099653929471969 } }, { "source": "CID:4507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "nitrendipine-mestranol similarity", "source_label": "nitrendipine", "target_label": "mestranol", "cosine_similarity": 0.3735123872756958 } }, { "source": "CID:11713159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11598628", "properties": { "id": "PF-562271-PF-431396 similarity", "source_label": "PF-562271", "target_label": "PF-431396", "cosine_similarity": 0.5870301127433777 } }, { "source": "CID:54654609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-1463787-SA-1473405 similarity", "source_label": "SA-1463787", "target_label": "SA-1473405", "cosine_similarity": 0.3644689321517944 } }, { "source": "CID:12799467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "piperacillin-6-hydroxytropinone similarity", "source_label": "piperacillin", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.43376025557518 } }, { "source": "CID:11210478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:906542", "properties": { "id": "WP-1066-STK-249718 similarity", "source_label": "WP-1066", "target_label": "STK-249718", "cosine_similarity": 0.2880360186100006 } }, { "source": "CID:5833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4006", "properties": { "id": "spironolactone-malotilate similarity", "source_label": "spironolactone", "target_label": "malotilate", "cosine_similarity": 0.3186178207397461 } }, { "source": "CID:27648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "iocetamic-acid-diazoxide similarity", "source_label": "iocetamic-acid", "target_label": "diazoxide", "cosine_similarity": 0.2487114369869232 } }, { "source": "CID:44483939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "SA-1944378-SA-1459167 similarity", "source_label": "SA-1944378", "target_label": "SA-1459167", "cosine_similarity": 0.3559048771858215 } }, { "source": "CID:439654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "scoulerine-parbendazole similarity", "source_label": "scoulerine", "target_label": "parbendazole", "cosine_similarity": 0.2937403321266174 } }, { "source": "CID:8369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "larixinic-acid-CAM-9-021 similarity", "source_label": "larixinic-acid", "target_label": "CAM-9-021", "cosine_similarity": 0.2741994857788086 } }, { "source": "CID:6291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "mestranol-rilmenidine similarity", "source_label": "mestranol", "target_label": "rilmenidine", "cosine_similarity": 0.4560399055480957 } }, { "source": "CID:24868316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "WAY-213613-marbofloxacin similarity", "source_label": "WAY-213613", "target_label": "marbofloxacin", "cosine_similarity": 0.2130104452371597 } }, { "source": "CID:10322450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "KO-143-RAF-265 similarity", "source_label": "KO-143", "target_label": "RAF-265", "cosine_similarity": 0.6109083890914917 } }, { "source": "CID:3724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747183", "properties": { "id": "iodixanol-JAS07-008 similarity", "source_label": "iodixanol", "target_label": "JAS07-008", "cosine_similarity": 0.226363256573677 } }, { "source": "CID:7029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "amfepramone-meglitinide similarity", "source_label": "amfepramone", "target_label": "meglitinide", "cosine_similarity": 0.2803192436695099 } }, { "source": "CID:6280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "veratridine-CAM-9-021 similarity", "source_label": "veratridine", "target_label": "CAM-9-021", "cosine_similarity": 0.2529084980487823 } }, { "source": "CID:701939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "MW-A1-12-withaferin-a similarity", "source_label": "MW-A1-12", "target_label": "withaferin-a", "cosine_similarity": 0.5041154623031616 } }, { "source": "CID:2805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "cloperastine-butylated-hydroxytoluene similarity", "source_label": "cloperastine", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.2344506084918975 } }, { "source": "CID:10620479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15074", "properties": { "id": "BML-278-isonicotinamide similarity", "source_label": "BML-278", "target_label": "isonicotinamide", "cosine_similarity": 0.4904684722423553 } }, { "source": "CID:2993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "dequalinium-KO-143 similarity", "source_label": "dequalinium", "target_label": "KO-143", "cosine_similarity": 0.4097030162811279 } }, { "source": "CID:24965990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "suvorexant-JNJ-38877605 similarity", "source_label": "suvorexant", "target_label": "JNJ-38877605", "cosine_similarity": 0.359464943408966 } }, { "source": "CID:54613931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54656566", "properties": { "id": "SA-441412-SA-1473405 similarity", "source_label": "SA-441412", "target_label": "SA-1473405", "cosine_similarity": 0.3172187805175781 } }, { "source": "CID:46224413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124704", "properties": { "id": "PF-03084014-pyrazinoylguanidine similarity", "source_label": "PF-03084014", "target_label": "pyrazinoylguanidine", "cosine_similarity": 0.5866138935089111 } }, { "source": "CID:64981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657693", "properties": { "id": "arctigenin-SA-1973509 similarity", "source_label": "arctigenin", "target_label": "SA-1973509", "cosine_similarity": 0.32101571559906 } }, { "source": "CID:54657758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60490", "properties": { "id": "SA-1459020-zileuton similarity", "source_label": "SA-1459020", "target_label": "zileuton", "cosine_similarity": 0.2601534724235534 } }, { "source": "CID:54655268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614984", "properties": { "id": "SA-1462246-SA-434027 similarity", "source_label": "SA-1462246", "target_label": "SA-434027", "cosine_similarity": 0.2599780857563019 } }, { "source": "CID:11848225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57030", "properties": { "id": "cebranopadol-brequinar similarity", "source_label": "cebranopadol", "target_label": "brequinar", "cosine_similarity": 0.3855218887329101 } }, { "source": "CID:52912189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "I-BET-151-I-BET-762 similarity", "source_label": "I-BET-151", "target_label": "I-BET-762", "cosine_similarity": 0.9265797138214112 } }, { "source": "CID:20864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610350", "properties": { "id": "ST-91-SB-203580 similarity", "source_label": "ST-91", "target_label": "SB-203580", "cosine_similarity": 0.2473709285259246 } }, { "source": "CID:6451149", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "netupitant-SGI-1776 similarity", "source_label": "netupitant", "target_label": "SGI-1776", "cosine_similarity": 0.3179313540458679 } }, { "source": "CID:44201003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2727", "properties": { "id": "DBPR-108-chlorpropamide similarity", "source_label": "DBPR-108", "target_label": "chlorpropamide", "cosine_similarity": 0.188165009021759 } }, { "source": "CID:3086618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "zamifenacin-SA-1459714 similarity", "source_label": "zamifenacin", "target_label": "SA-1459714", "cosine_similarity": 0.1803055256605148 } }, { "source": "CID:2187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "anastrozole-camostat-mesilate similarity", "source_label": "anastrozole", "target_label": "camostat-mesilate", "cosine_similarity": 0.3901332318782806 } }, { "source": "CID:4331799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826308", "properties": { "id": "SB-408124-GW-843682X similarity", "source_label": "SB-408124", "target_label": "GW-843682X", "cosine_similarity": 0.201465904712677 } }, { "source": "CID:864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107641", "properties": { "id": "thioctic-acid-indobufen similarity", "source_label": "thioctic-acid", "target_label": "indobufen", "cosine_similarity": 0.4377804696559906 } }, { "source": "CID:5405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "terfenadine-T-98475 similarity", "source_label": "terfenadine", "target_label": "T-98475", "cosine_similarity": 0.6819251775741577 } }, { "source": "CID:71447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "talampicillin-lorazepam similarity", "source_label": "talampicillin", "target_label": "lorazepam", "cosine_similarity": 0.2821345925331116 } }, { "source": "CID:11494970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397945", "properties": { "id": "trap-101-hydrastinine similarity", "source_label": "trap-101", "target_label": "hydrastinine", "cosine_similarity": 0.2233821898698806 } }, { "source": "CID:2390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "AG-490-SKI-II similarity", "source_label": "AG-490", "target_label": "SKI-II", "cosine_similarity": 0.3418865501880646 } }, { "source": "CID:23725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "psoromic-acid-7-nitroindazole similarity", "source_label": "psoromic-acid", "target_label": "7-nitroindazole", "cosine_similarity": 0.2311096638441085 } }, { "source": "CID:512292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3739", "properties": { "id": "iso-olomoucine-adipiodone similarity", "source_label": "iso-olomoucine", "target_label": "adipiodone", "cosine_similarity": 0.216064766049385 } }, { "source": "CID:2775510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "wiskostatin-BIBU-1361 similarity", "source_label": "wiskostatin", "target_label": "BIBU-1361", "cosine_similarity": 0.6252256035804749 } }, { "source": "CID:71714682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947407", "properties": { "id": "K-145-MD-049 similarity", "source_label": "K-145", "target_label": "MD-049", "cosine_similarity": 0.2508643269538879 } }, { "source": "CID:6710776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "nomilin-harmine similarity", "source_label": "nomilin", "target_label": "harmine", "cosine_similarity": 0.2715964317321777 } }, { "source": "CID:667476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "dienestrol-T-0156 similarity", "source_label": "dienestrol", "target_label": "T-0156", "cosine_similarity": 0.5473178625106812 } }, { "source": "CID:5702164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "puromycin-I-606051 similarity", "source_label": "puromycin", "target_label": "I-606051", "cosine_similarity": 0.7230432629585266 } }, { "source": "CID:1889993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "fatostatin-Gly-Gly-PALO similarity", "source_label": "fatostatin", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.4632465541362762 } }, { "source": "CID:5270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "SQ-22536-pravastatin similarity", "source_label": "SQ-22536", "target_label": "pravastatin", "cosine_similarity": 0.2733254432678222 } }, { "source": "CID:10745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53276", "properties": { "id": "acetylsalicylsalicylic-acid-flupirtine similarity", "source_label": "acetylsalicylsalicylic-acid", "target_label": "flupirtine", "cosine_similarity": 0.3123204112052917 } }, { "source": "CID:4993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25267262", "properties": { "id": "pyrimethamine-E-7449 similarity", "source_label": "pyrimethamine", "target_label": "E-7449", "cosine_similarity": 0.3280433118343353 } }, { "source": "CID:693139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21785456", "properties": { "id": "CAY-10577-KU-C103869 similarity", "source_label": "CAY-10577", "target_label": "KU-C103869", "cosine_similarity": 0.2584807574748993 } }, { "source": "CID:2438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:99253", "properties": { "id": "BRL-54443-SAL-1 similarity", "source_label": "BRL-54443", "target_label": "SAL-1", "cosine_similarity": 0.2964623272418976 } }, { "source": "CID:46926574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475158", "properties": { "id": "MW-A1-18-cinanserin similarity", "source_label": "MW-A1-18", "target_label": "cinanserin", "cosine_similarity": 0.2510958909988403 } }, { "source": "CID:5280360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11210285", "properties": { "id": "dinoprostone-BML-284 similarity", "source_label": "dinoprostone", "target_label": "BML-284", "cosine_similarity": 0.471893161535263 } }, { "source": "CID:443155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "cinchonidine-CFM-2 similarity", "source_label": "cinchonidine", "target_label": "CFM-2", "cosine_similarity": 0.2267126441001892 } }, { "source": "CID:443278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4855", "properties": { "id": "pifithrin-piromidic-acid similarity", "source_label": "pifithrin", "target_label": "piromidic-acid", "cosine_similarity": 0.2210809588432312 } }, { "source": "CID:1989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610313", "properties": { "id": "acetohexamide-ryanodine similarity", "source_label": "acetohexamide", "target_label": "ryanodine", "cosine_similarity": 0.2017693668603897 } }, { "source": "CID:51003716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CVF-SUMO-11-EMF-sumo1-39 similarity", "source_label": "CVF-SUMO-11", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.8633374571800232 } }, { "source": "CID:3080554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11998575", "properties": { "id": "homoquinolinic-acid-palomid-529 similarity", "source_label": "homoquinolinic-acid", "target_label": "palomid-529", "cosine_similarity": 0.2665991187095642 } }, { "source": "CID:24747179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "PSH-003-gossypin similarity", "source_label": "PSH-003", "target_label": "gossypin", "cosine_similarity": 0.3333818614482879 } }, { "source": "CID:4668801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "ITE-LY-2886721 similarity", "source_label": "ITE", "target_label": "LY-2886721", "cosine_similarity": 0.2188402414321899 } }, { "source": "CID:10131112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46215462", "properties": { "id": "EMD-386088-R-428 similarity", "source_label": "EMD-386088", "target_label": "R-428", "cosine_similarity": 0.3218703269958496 } }, { "source": "CID:24771824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "PF-04457845-saxagliptin similarity", "source_label": "PF-04457845", "target_label": "saxagliptin", "cosine_similarity": 0.4667777419090271 } }, { "source": "CID:2081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "alaproclate-milnacipran similarity", "source_label": "alaproclate", "target_label": "milnacipran", "cosine_similarity": 0.5005179643630981 } }, { "source": "CID:2531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "calmidazolium-tyrphostin-A9 similarity", "source_label": "calmidazolium", "target_label": "tyrphostin-A9", "cosine_similarity": 0.629301130771637 } }, { "source": "CID:44618378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-424170-SA-85268 similarity", "source_label": "SA-424170", "target_label": "SA-85268", "cosine_similarity": 0.3326172232627868 } }, { "source": "CID:670967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:729859", "properties": { "id": "ST-019365-CTB similarity", "source_label": "ST-019365", "target_label": "CTB", "cosine_similarity": 0.1802798211574554 } }, { "source": "CID:51683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "swainsonine-actarit similarity", "source_label": "swainsonine", "target_label": "actarit", "cosine_similarity": 0.4055741727352142 } }, { "source": "CID:44143772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2818982", "properties": { "id": "UTMB-00530-KM-00519SC similarity", "source_label": "UTMB-00530", "target_label": "KM-00519SC", "cosine_similarity": 0.2852922976016998 } }, { "source": "CID:54657713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3559", "properties": { "id": "SA-1459963-haloperidol similarity", "source_label": "SA-1459963", "target_label": "haloperidol", "cosine_similarity": 0.2650820016860962 } }, { "source": "CID:5564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "triclosan-rottlerin similarity", "source_label": "triclosan", "target_label": "rottlerin", "cosine_similarity": 0.3958244919776916 } }, { "source": "CID:2768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753", "properties": { "id": "dichlorodiamine-platinum-glycerol similarity", "source_label": "dichlorodiamine-platinum", "target_label": "glycerol", "cosine_similarity": 0.4268038868904114 } }, { "source": "CID:40469854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "flumethasone-leucovorin similarity", "source_label": "flumethasone", "target_label": "leucovorin", "cosine_similarity": 0.308039128780365 } }, { "source": "CID:44496365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "SA-243929-glutamine similarity", "source_label": "SA-243929", "target_label": "glutamine", "cosine_similarity": 0.2853430807590484 } }, { "source": "CID:3397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148184", "properties": { "id": "flutamide-ampalex similarity", "source_label": "flutamide", "target_label": "ampalex", "cosine_similarity": 0.5019871592521667 } }, { "source": "CID:9889200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33887", "properties": { "id": "balaglitazone-almitrine similarity", "source_label": "balaglitazone", "target_label": "almitrine", "cosine_similarity": 0.3568017482757568 } }, { "source": "CID:25195348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5002", "properties": { "id": "VER-155008-quetiapine similarity", "source_label": "VER-155008", "target_label": "quetiapine", "cosine_similarity": 0.3816324770450592 } }, { "source": "CID:183782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3276", "properties": { "id": "RS-67333-etanidazole similarity", "source_label": "RS-67333", "target_label": "etanidazole", "cosine_similarity": 0.2201180905103683 } }, { "source": "CID:11773081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "norgestimate-SKI-II similarity", "source_label": "norgestimate", "target_label": "SKI-II", "cosine_similarity": 0.3110241591930389 } }, { "source": "CID:6634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3080926", "properties": { "id": "sulfachlorpyridazine-2-BFI similarity", "source_label": "sulfachlorpyridazine", "target_label": "2-BFI", "cosine_similarity": 0.2569416463375091 } }, { "source": "CID:42623900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "QS-11-ingenol similarity", "source_label": "QS-11", "target_label": "ingenol", "cosine_similarity": 0.6169326305389404 } }, { "source": "CID:54654429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "SA-1472655-mebendazole similarity", "source_label": "SA-1472655", "target_label": "mebendazole", "cosine_similarity": 0.3327198028564453 } }, { "source": "CID:3037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "dichlorophen-furazolidone similarity", "source_label": "dichlorophen", "target_label": "furazolidone", "cosine_similarity": 0.5557894706726074 } }, { "source": "CID:4133412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "DL-TBOA-PTB1 similarity", "source_label": "DL-TBOA", "target_label": "PTB1", "cosine_similarity": 0.6083766222000122 } }, { "source": "CID:2474", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "bupivacaine-vinburnine similarity", "source_label": "bupivacaine", "target_label": "vinburnine", "cosine_similarity": 0.4028837978839874 } }, { "source": "CID:9956637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "PD-198306-WHI-P154 similarity", "source_label": "PD-198306", "target_label": "WHI-P154", "cosine_similarity": 0.5510199666023254 } }, { "source": "CID:15604015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "ABC-294640-tetrahydrouridine similarity", "source_label": "ABC-294640", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3919484317302704 } }, { "source": "CID:4261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "entinostat-mocetinostat similarity", "source_label": "entinostat", "target_label": "mocetinostat", "cosine_similarity": 0.908598244190216 } }, { "source": "CID:73707437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "YL-53-KU-C103428N similarity", "source_label": "YL-53", "target_label": "KU-C103428N", "cosine_similarity": 0.2428248822689056 } }, { "source": "CID:44819697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "CAY-10618-KU-C104486 similarity", "source_label": "CAY-10618", "target_label": "KU-C104486", "cosine_similarity": 0.4966374039649963 } }, { "source": "CID:73707504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13025387", "properties": { "id": "etiocholanolone-ticarcillin similarity", "source_label": "etiocholanolone", "target_label": "ticarcillin", "cosine_similarity": 0.2108264565467834 } }, { "source": "CID:3241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "epinastine-alizapride similarity", "source_label": "epinastine", "target_label": "alizapride", "cosine_similarity": 0.3719006478786468 } }, { "source": "CID:31549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "anisomycin-cephaeline similarity", "source_label": "anisomycin", "target_label": "cephaeline", "cosine_similarity": 0.9011744260787964 } }, { "source": "CID:476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1548076", "properties": { "id": "mevalonic-acid-STK-721917 similarity", "source_label": "mevalonic-acid", "target_label": "STK-721917", "cosine_similarity": 0.229618102312088 } }, { "source": "CID:11978790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "BGT-226-WYE-125132 similarity", "source_label": "BGT-226", "target_label": "WYE-125132", "cosine_similarity": 0.7316129207611084 } }, { "source": "CID:3610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "hexylresorcinol-sildenafil similarity", "source_label": "hexylresorcinol", "target_label": "sildenafil", "cosine_similarity": 0.1855715364217758 } }, { "source": "CID:5280343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "quercetin-amikacin similarity", "source_label": "quercetin", "target_label": "amikacin", "cosine_similarity": 0.6473912000656128 } }, { "source": "CID:3053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760692", "properties": { "id": "pentetic-acid-U-0124 similarity", "source_label": "pentetic-acid", "target_label": "U-0124", "cosine_similarity": 0.2031830996274948 } }, { "source": "CID:159324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "tipifarnib-P2-sertraline similarity", "source_label": "tipifarnib-P2", "target_label": "sertraline", "cosine_similarity": 0.4359877109527588 } }, { "source": "CID:6338099", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2064", "properties": { "id": "securinine-AG-957 similarity", "source_label": "securinine", "target_label": "AG-957", "cosine_similarity": 0.2989427745342254 } }, { "source": "CID:5369716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "verrucarin-a-cephaeline similarity", "source_label": "verrucarin-a", "target_label": "cephaeline", "cosine_similarity": 0.8558711409568787 } }, { "source": "CID:2081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "alaproclate-actarit similarity", "source_label": "alaproclate", "target_label": "actarit", "cosine_similarity": 0.5462118983268738 } }, { "source": "CID:51049968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1775", "properties": { "id": "BMS-927711-phenytoin similarity", "source_label": "BMS-927711", "target_label": "phenytoin", "cosine_similarity": 0.4049741327762604 } }, { "source": "CID:1126109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "JX-401-AICA-ribonucleotide similarity", "source_label": "JX-401", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3364472985267639 } }, { "source": "CID:444036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "fluticasone-propionate-methylprednisolone similarity", "source_label": "fluticasone-propionate", "target_label": "methylprednisolone", "cosine_similarity": 0.6892113089561462 } }, { "source": "CID:11644425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "CGP-57380-dabrafenib similarity", "source_label": "CGP-57380", "target_label": "dabrafenib", "cosine_similarity": 0.5163431763648987 } }, { "source": "CID:5745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "cortisone-acetate-MW-STK33-4C similarity", "source_label": "cortisone-acetate", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3389778137207031 } }, { "source": "CID:4996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "pyroxamide-SB-939 similarity", "source_label": "pyroxamide", "target_label": "SB-939", "cosine_similarity": 0.5813288688659668 } }, { "source": "CID:54615019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487665", "properties": { "id": "SA-424827-SA-85377 similarity", "source_label": "SA-424827", "target_label": "SA-85377", "cosine_similarity": 0.3133379518985748 } }, { "source": "CID:2063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "tyrphostin-1-etomidate similarity", "source_label": "tyrphostin-1", "target_label": "etomidate", "cosine_similarity": 0.3358427584171295 } }, { "source": "CID:67946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "fluoropyruvate-PRIMA1 similarity", "source_label": "fluoropyruvate", "target_label": "PRIMA1", "cosine_similarity": 0.5103845000267029 } }, { "source": "CID:6855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "benzoxiquine-ozagrel similarity", "source_label": "benzoxiquine", "target_label": "ozagrel", "cosine_similarity": 0.1909962594509124 } }, { "source": "CID:44219749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "WYE-354-MLN-0128 similarity", "source_label": "WYE-354", "target_label": "MLN-0128", "cosine_similarity": 0.7551755309104919 } }, { "source": "CID:3250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "ergometrine-UNC-0321 similarity", "source_label": "ergometrine", "target_label": "UNC-0321", "cosine_similarity": 0.3226873278617859 } }, { "source": "CID:3675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "phenelzine-PRIMA1 similarity", "source_label": "phenelzine", "target_label": "PRIMA1", "cosine_similarity": 0.4044780135154724 } }, { "source": "CID:3519541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "CGP-13501-mesoridazine similarity", "source_label": "CGP-13501", "target_label": "mesoridazine", "cosine_similarity": 0.2731188535690307 } }, { "source": "CID:5280881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "prostaglandin-b2-gossypin similarity", "source_label": "prostaglandin-b2", "target_label": "gossypin", "cosine_similarity": 0.3094444572925567 } }, { "source": "CID:4636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "oxymetazoline-orciprenaline similarity", "source_label": "oxymetazoline", "target_label": "orciprenaline", "cosine_similarity": 0.2984243333339691 } }, { "source": "CID:53246986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122272", "properties": { "id": "LY-2979165-BMS-182874 similarity", "source_label": "LY-2979165", "target_label": "BMS-182874", "cosine_similarity": 0.163601279258728 } }, { "source": "CID:23874513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760692", "properties": { "id": "asiaticoside-U-0124 similarity", "source_label": "asiaticoside", "target_label": "U-0124", "cosine_similarity": 0.3043980896472931 } }, { "source": "CID:54660558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658215", "properties": { "id": "SA-1456625-SA-1457103 similarity", "source_label": "SA-1456625", "target_label": "SA-1457103", "cosine_similarity": 0.3028102219104767 } }, { "source": "CID:71277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "erythromycin-estolate-fluspirilene similarity", "source_label": "erythromycin-estolate", "target_label": "fluspirilene", "cosine_similarity": 0.4923357665538788 } }, { "source": "CID:3825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549000", "properties": { "id": "ketoprofen-levocetirizine similarity", "source_label": "ketoprofen", "target_label": "levocetirizine", "cosine_similarity": 0.3021765351295471 } }, { "source": "CID:897475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "ARG-CSC-81-L-ergothioneine similarity", "source_label": "ARG-CSC-81", "target_label": "L-ergothioneine", "cosine_similarity": 0.4690338373184204 } }, { "source": "CID:119461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92409", "properties": { "id": "AH-6809-SKF-89976A similarity", "source_label": "AH-6809", "target_label": "SKF-89976A", "cosine_similarity": 0.1912584006786346 } }, { "source": "CID:13025387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "ticarcillin-thiotepa similarity", "source_label": "ticarcillin", "target_label": "thiotepa", "cosine_similarity": 0.221645250916481 } }, { "source": "CID:54657757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44486991", "properties": { "id": "SA-1459008-SA-424577 similarity", "source_label": "SA-1459008", "target_label": "SA-424577", "cosine_similarity": 0.188277006149292 } }, { "source": "CID:51695577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1716436", "properties": { "id": "melengestrol-JMW-MITF1 similarity", "source_label": "melengestrol", "target_label": "JMW-MITF1", "cosine_similarity": 0.2018439769744873 } }, { "source": "CID:3293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5808", "properties": { "id": "ethoxyquin-levisoprenaline similarity", "source_label": "ethoxyquin", "target_label": "levisoprenaline", "cosine_similarity": 0.1940037608146667 } }, { "source": "CID:20299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "tridihexethyl-molsidomine similarity", "source_label": "tridihexethyl", "target_label": "molsidomine", "cosine_similarity": 0.2799021601676941 } }, { "source": "CID:4578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11691726", "properties": { "id": "O6-benzylguanine-balapiravir similarity", "source_label": "O6-benzylguanine", "target_label": "balapiravir", "cosine_similarity": 0.3263653814792633 } }, { "source": "CID:54685215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "IOX2-UNC-1215 similarity", "source_label": "IOX2", "target_label": "UNC-1215", "cosine_similarity": 0.4914530217647552 } }, { "source": "CID:3366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3272300", "properties": { "id": "flucytosine-SB-203186 similarity", "source_label": "flucytosine", "target_label": "SB-203186", "cosine_similarity": 0.2280578911304474 } }, { "source": "CID:49843106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3672", "properties": { "id": "ARG-CSC-26-ibuprofen similarity", "source_label": "ARG-CSC-26", "target_label": "ibuprofen", "cosine_similarity": 0.2898878157138824 } }, { "source": "CID:34772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4583", "properties": { "id": "BE-2254-ofloxacin similarity", "source_label": "BE-2254", "target_label": "ofloxacin", "cosine_similarity": 0.3056388795375824 } }, { "source": "CID:107982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "dihydrocapsaicin-F-1566-0341 similarity", "source_label": "dihydrocapsaicin", "target_label": "F-1566-0341", "cosine_similarity": 0.309607058763504 } }, { "source": "CID:44483932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "SA-423862-rilmenidine similarity", "source_label": "SA-423862", "target_label": "rilmenidine", "cosine_similarity": 0.2889979481697082 } }, { "source": "CID:51683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "swainsonine-CV-1808 similarity", "source_label": "swainsonine", "target_label": "CV-1808", "cosine_similarity": 0.398205041885376 } }, { "source": "CID:56655374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "HG-14-10-04-GSK-1059615 similarity", "source_label": "HG-14-10-04", "target_label": "GSK-1059615", "cosine_similarity": 0.4766793847084045 } }, { "source": "CID:441199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135560153", "properties": { "id": "cefoxitin-EMF-csc-9 similarity", "source_label": "cefoxitin", "target_label": "EMF-csc-9", "cosine_similarity": 0.3145913779735565 } }, { "source": "CID:2733768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "taurodeoxycholic-acid-thiazolopyrimidine similarity", "source_label": "taurodeoxycholic-acid", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3103315234184265 } }, { "source": "CID:24360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "camptothecin-topotecan similarity", "source_label": "camptothecin", "target_label": "topotecan", "cosine_similarity": 0.8619877696037292 } }, { "source": "CID:5702051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "estradiol-cypionate-PT-630 similarity", "source_label": "estradiol-cypionate", "target_label": "PT-630", "cosine_similarity": 0.4961795806884765 } }, { "source": "CID:44489675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11560787", "properties": { "id": "EMF-BCA1-57-E-2012 similarity", "source_label": "EMF-BCA1-57", "target_label": "E-2012", "cosine_similarity": 0.2578633725643158 } }, { "source": "CID:11052", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3925", "properties": { "id": "orthothymotinic-acid-QX-314 similarity", "source_label": "orthothymotinic-acid", "target_label": "QX-314", "cosine_similarity": 0.2274857461452484 } }, { "source": "CID:42636535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "A-66-AZD-6482 similarity", "source_label": "A-66", "target_label": "AZD-6482", "cosine_similarity": 0.3817191421985626 } }, { "source": "CID:11552706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "losmapimod-oxiconazole similarity", "source_label": "losmapimod", "target_label": "oxiconazole", "cosine_similarity": 0.4899758994579315 } }, { "source": "CID:442195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31549", "properties": { "id": "cephaeline-anisomycin similarity", "source_label": "cephaeline", "target_label": "anisomycin", "cosine_similarity": 0.9011744260787964 } }, { "source": "CID:6070589", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2562", "properties": { "id": "BAS-09104376-pentoxyverine similarity", "source_label": "BAS-09104376", "target_label": "pentoxyverine", "cosine_similarity": 0.2027625143527984 } }, { "source": "CID:4065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "meprylcaine-estrone similarity", "source_label": "meprylcaine", "target_label": "estrone", "cosine_similarity": 0.3303514420986175 } }, { "source": "CID:5703601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9821459", "properties": { "id": "SEW-05685-J-104129 similarity", "source_label": "SEW-05685", "target_label": "J-104129", "cosine_similarity": 0.2150611132383346 } }, { "source": "CID:10074640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "masitinib-CAY-10594 similarity", "source_label": "masitinib", "target_label": "CAY-10594", "cosine_similarity": 0.5410395860671997 } }, { "source": "CID:3678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "alverine-CAM-9-021 similarity", "source_label": "alverine", "target_label": "CAM-9-021", "cosine_similarity": 0.2189790159463882 } }, { "source": "CID:5280569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3289", "properties": { "id": "daphnetin-ethoprop similarity", "source_label": "daphnetin", "target_label": "ethoprop", "cosine_similarity": 0.2881264686584472 } }, { "source": "CID:5132514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2744062", "properties": { "id": "L-690488-SPB02303 similarity", "source_label": "L-690488", "target_label": "SPB02303", "cosine_similarity": 0.3659326136112213 } }, { "source": "CID:9904854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "R-112-dabrafenib similarity", "source_label": "R-112", "target_label": "dabrafenib", "cosine_similarity": 0.5186035633087158 } }, { "source": "CID:6918409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "CO-101244-imiloxan similarity", "source_label": "CO-101244", "target_label": "imiloxan", "cosine_similarity": 0.411023199558258 } }, { "source": "CID:2183264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "MW-STK33-3A-thiotepa similarity", "source_label": "MW-STK33-3A", "target_label": "thiotepa", "cosine_similarity": 0.2245186120271682 } }, { "source": "CID:4506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747230", "properties": { "id": "nitrazepam-UTMB-00042 similarity", "source_label": "nitrazepam", "target_label": "UTMB-00042", "cosine_similarity": 0.1590562611818313 } }, { "source": "CID:60185223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "SA-1939079-SA-427228 similarity", "source_label": "SA-1939079", "target_label": "SA-427228", "cosine_similarity": 0.3653452396392822 } }, { "source": "CID:73707358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3948", "properties": { "id": "debrisoquine-lomefloxacin similarity", "source_label": "debrisoquine", "target_label": "lomefloxacin", "cosine_similarity": 0.2313194423913955 } }, { "source": "CID:5360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56965963", "properties": { "id": "dextrorphan-KIN001-242 similarity", "source_label": "dextrorphan", "target_label": "KIN001-242", "cosine_similarity": 0.261042445898056 } }, { "source": "CID:6760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19003", "properties": { "id": "skimmianine-ciclacillin similarity", "source_label": "skimmianine", "target_label": "ciclacillin", "cosine_similarity": 0.2641919553279876 } }, { "source": "CID:54668530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "SA-1920722-SA-441350 similarity", "source_label": "SA-1920722", "target_label": "SA-441350", "cosine_similarity": 0.380619078874588 } }, { "source": "CID:20039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "dideoxyadenosine-tibolone similarity", "source_label": "dideoxyadenosine", "target_label": "tibolone", "cosine_similarity": 0.4392914772033691 } }, { "source": "CID:1537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6803", "properties": { "id": "thioguanine-tioguanine similarity", "source_label": "thioguanine", "target_label": "tioguanine", "cosine_similarity": 0.7370385527610779 } }, { "source": "CID:65981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3111", "properties": { "id": "repaglinide-metamizole similarity", "source_label": "repaglinide", "target_label": "metamizole", "cosine_similarity": 0.4193842113018036 } }, { "source": "CID:5311493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "U-46619-phenoxazine similarity", "source_label": "U-46619", "target_label": "phenoxazine", "cosine_similarity": 0.266203761100769 } }, { "source": "CID:92766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "corynanthine-bucladesine similarity", "source_label": "corynanthine", "target_label": "bucladesine", "cosine_similarity": 0.2628447413444519 } }, { "source": "CID:73707461", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "flucloxacillin-PSB-069 similarity", "source_label": "flucloxacillin", "target_label": "PSB-069", "cosine_similarity": 0.2751301527023315 } }, { "source": "CID:46215462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "R-428-STA-5326 similarity", "source_label": "R-428", "target_label": "STA-5326", "cosine_similarity": 0.5425785183906555 } }, { "source": "CID:73707445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47472", "properties": { "id": "nicardipine-butoconazole similarity", "source_label": "nicardipine", "target_label": "butoconazole", "cosine_similarity": 0.2993456423282623 } }, { "source": "CID:24747194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "PSH-028-JAS07-006 similarity", "source_label": "PSH-028", "target_label": "JAS07-006", "cosine_similarity": 0.3666606247425079 } }, { "source": "CID:24795070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "SGI-1776-tetrandrine similarity", "source_label": "SGI-1776", "target_label": "tetrandrine", "cosine_similarity": 0.4988230168819427 } }, { "source": "CID:73364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "calpeptin-PP-110 similarity", "source_label": "calpeptin", "target_label": "PP-110", "cosine_similarity": 0.3789549171924591 } }, { "source": "CID:40692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "mefloquine-PF-04457845 similarity", "source_label": "mefloquine", "target_label": "PF-04457845", "cosine_similarity": 0.3318336904048919 } }, { "source": "CID:89683805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24812758", "properties": { "id": "enasidenib-canagliflozin similarity", "source_label": "enasidenib", "target_label": "canagliflozin", "cosine_similarity": 0.2170818597078323 } }, { "source": "CID:3467177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483271", "properties": { "id": "DH-97-meclocycline similarity", "source_label": "DH-97", "target_label": "meclocycline", "cosine_similarity": 0.1776060312986374 } }, { "source": "CID:3600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "miltefosine-imiquimod similarity", "source_label": "miltefosine", "target_label": "imiquimod", "cosine_similarity": 0.2913983762264251 } }, { "source": "CID:4829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "pioglitazone-marbofloxacin similarity", "source_label": "pioglitazone", "target_label": "marbofloxacin", "cosine_similarity": 0.3478334248065948 } }, { "source": "CID:4233538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1622530", "properties": { "id": "NAS-181-coumaric-acid similarity", "source_label": "NAS-181", "target_label": "coumaric-acid", "cosine_similarity": 0.219910517334938 } }, { "source": "CID:3516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "guaifenesin-fumonisin-b1 similarity", "source_label": "guaifenesin", "target_label": "fumonisin-b1", "cosine_similarity": 0.234657347202301 } }, { "source": "CID:32334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46697", "properties": { "id": "beta-alanine-isosalsoline similarity", "source_label": "beta-alanine", "target_label": "isosalsoline", "cosine_similarity": 0.2506738901138305 } }, { "source": "CID:2736301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "TBEP-SB-683698 similarity", "source_label": "TBEP", "target_label": "SB-683698", "cosine_similarity": 0.279573917388916 } }, { "source": "CID:5702041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23947601", "properties": { "id": "digitoxin-cinobufagin similarity", "source_label": "digitoxin", "target_label": "cinobufagin", "cosine_similarity": 0.684162437915802 } }, { "source": "CID:6597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "dichloroacetic-acid-GW-1929 similarity", "source_label": "dichloroacetic-acid", "target_label": "GW-1929", "cosine_similarity": 0.2743155658245086 } }, { "source": "CID:3108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "dipyridamole-apocynin similarity", "source_label": "dipyridamole", "target_label": "apocynin", "cosine_similarity": 0.626274585723877 } }, { "source": "CID:60160561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "EPZ-005687-salmeterol similarity", "source_label": "EPZ-005687", "target_label": "salmeterol", "cosine_similarity": 0.2053047716617584 } }, { "source": "CID:10286159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "erteberel-setiptiline similarity", "source_label": "erteberel", "target_label": "setiptiline", "cosine_similarity": 0.4336955547332763 } }, { "source": "CID:5265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "spiperone-cyclosporin-a similarity", "source_label": "spiperone", "target_label": "cyclosporin-a", "cosine_similarity": 0.5095482468605042 } }, { "source": "CID:3634881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4055", "properties": { "id": "CCT036477-menadione similarity", "source_label": "CCT036477", "target_label": "menadione", "cosine_similarity": 0.3556439578533172 } }, { "source": "CID:5509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "tolmetin-NNC-711 similarity", "source_label": "tolmetin", "target_label": "NNC-711", "cosine_similarity": 0.2254380136728286 } }, { "source": "CID:46742339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "VU-0418933-1-VU-0418947-2 similarity", "source_label": "VU-0418933-1", "target_label": "VU-0418947-2", "cosine_similarity": 0.8176273703575134 } }, { "source": "CID:3561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "haloprogin-K784-3187 similarity", "source_label": "haloprogin", "target_label": "K784-3187", "cosine_similarity": 0.4670326113700866 } }, { "source": "CID:44485243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186978", "properties": { "id": "SA-85290-SA-1938219 similarity", "source_label": "SA-85290", "target_label": "SA-1938219", "cosine_similarity": 0.4889496564865112 } }, { "source": "CID:5282367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3765", "properties": { "id": "menatetrenone-isoguvacine similarity", "source_label": "menatetrenone", "target_label": "isoguvacine", "cosine_similarity": 0.1729482859373092 } }, { "source": "CID:9687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "bucladesine-FTI-276 similarity", "source_label": "bucladesine", "target_label": "FTI-276", "cosine_similarity": 0.4973014593124389 } }, { "source": "CID:9824562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9828911", "properties": { "id": "andarine-anamorelin similarity", "source_label": "andarine", "target_label": "anamorelin", "cosine_similarity": 0.3317123055458069 } }, { "source": "CID:3037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "dichlorophen-S-isopropylisothiourea similarity", "source_label": "dichlorophen", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.5062457919120789 } }, { "source": "CID:100016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "zebularine-myriocin similarity", "source_label": "zebularine", "target_label": "myriocin", "cosine_similarity": 0.5304328799247742 } }, { "source": "CID:6519698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6413301", "properties": { "id": "JIB04-VLX-600 similarity", "source_label": "JIB04", "target_label": "VLX-600", "cosine_similarity": 0.5215251445770264 } }, { "source": "CID:6710754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "irilin-a-GW-5074 similarity", "source_label": "irilin-a", "target_label": "GW-5074", "cosine_similarity": 0.2594156861305237 } }, { "source": "CID:46848036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "flumatinib-sertraline similarity", "source_label": "flumatinib", "target_label": "sertraline", "cosine_similarity": 0.4451494812965393 } }, { "source": "CID:3386", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "fluoxetine-CCT-031374 similarity", "source_label": "fluoxetine", "target_label": "CCT-031374", "cosine_similarity": 0.5098440647125244 } }, { "source": "CID:5323714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "furazolidone-S-isopropylisothiourea similarity", "source_label": "furazolidone", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.864892303943634 } }, { "source": "CID:60785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "fananserin-FTI-276 similarity", "source_label": "fananserin", "target_label": "FTI-276", "cosine_similarity": 0.2902202606201172 } }, { "source": "CID:5666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:168182", "properties": { "id": "viloxazine-valyltryptophan similarity", "source_label": "viloxazine", "target_label": "valyltryptophan", "cosine_similarity": 0.1947940289974212 } }, { "source": "CID:4826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "pinacidil-gliclazide similarity", "source_label": "pinacidil", "target_label": "gliclazide", "cosine_similarity": 0.7371200323104858 } }, { "source": "CID:2310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65833", "properties": { "id": "bemegride-milnacipran similarity", "source_label": "bemegride", "target_label": "milnacipran", "cosine_similarity": 0.5059345960617065 } }, { "source": "CID:679758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "ST-209453-pregnenolone similarity", "source_label": "ST-209453", "target_label": "pregnenolone", "cosine_similarity": 0.3083421289920807 } }, { "source": "CID:310557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "EXO-1-MW-STK33-4C similarity", "source_label": "EXO-1", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3483117520809173 } }, { "source": "CID:3759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "isocarboxazid-FTI-276 similarity", "source_label": "isocarboxazid", "target_label": "FTI-276", "cosine_similarity": 0.2495883852243423 } }, { "source": "CID:5808", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "levisoprenaline-XAV-939 similarity", "source_label": "levisoprenaline", "target_label": "XAV-939", "cosine_similarity": 0.2615692317485809 } }, { "source": "CID:448912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160355", "properties": { "id": "aloisine-roscovitine similarity", "source_label": "aloisine", "target_label": "roscovitine", "cosine_similarity": 0.4460037052631378 } }, { "source": "CID:4939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9801", "properties": { "id": "propidium-prenylamine similarity", "source_label": "propidium", "target_label": "prenylamine", "cosine_similarity": 0.2517707943916321 } }, { "source": "CID:53245473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "TUL-XXI039-MW-STK33-97 similarity", "source_label": "TUL-XXI039", "target_label": "MW-STK33-97", "cosine_similarity": 0.3865441083908081 } }, { "source": "CID:5417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5383", "properties": { "id": "tetrahydropalmatine-tebuthiuron similarity", "source_label": "tetrahydropalmatine", "target_label": "tebuthiuron", "cosine_similarity": 0.2682879269123077 } }, { "source": "CID:132846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "L-733060-FIT similarity", "source_label": "L-733060", "target_label": "FIT", "cosine_similarity": 0.5306904315948486 } }, { "source": "CID:44504326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-103013-SA-424170 similarity", "source_label": "SA-103013", "target_label": "SA-424170", "cosine_similarity": 0.3565040826797485 } }, { "source": "CID:2780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312137", "properties": { "id": "clebopride-SU-6656 similarity", "source_label": "clebopride", "target_label": "SU-6656", "cosine_similarity": 0.3014171421527862 } }, { "source": "CID:3585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505239", "properties": { "id": "hemicholinium-3-SA-419021 similarity", "source_label": "hemicholinium-3", "target_label": "SA-419021", "cosine_similarity": 0.2728117108345032 } }, { "source": "CID:442009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "carnosol-7b-cis similarity", "source_label": "carnosol", "target_label": "7b-cis", "cosine_similarity": 0.303927481174469 } }, { "source": "CID:72301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "rotundine-gemfibrozil similarity", "source_label": "rotundine", "target_label": "gemfibrozil", "cosine_similarity": 0.502392053604126 } }, { "source": "CID:47641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "naftifine-cabozantinib similarity", "source_label": "naftifine", "target_label": "cabozantinib", "cosine_similarity": 0.3918579816818237 } }, { "source": "CID:5081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "Ro-15-4513-MW-MITF28 similarity", "source_label": "Ro-15-4513", "target_label": "MW-MITF28", "cosine_similarity": 0.3171349465847015 } }, { "source": "CID:97807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "safrolglycol-yohimbine similarity", "source_label": "safrolglycol", "target_label": "yohimbine", "cosine_similarity": 0.3088769018650055 } }, { "source": "CID:54654437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24151277", "properties": { "id": "SA-1472734-nikkomycin similarity", "source_label": "SA-1472734", "target_label": "nikkomycin", "cosine_similarity": 0.2969436049461365 } }, { "source": "CID:9869929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918324", "properties": { "id": "avanafil-tonabersat similarity", "source_label": "avanafil", "target_label": "tonabersat", "cosine_similarity": 0.3434028923511505 } }, { "source": "CID:129010078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "triptolide-PIK-75 similarity", "source_label": "triptolide", "target_label": "PIK-75", "cosine_similarity": 0.8333567380905151 } }, { "source": "CID:5329255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1403142", "properties": { "id": "bis-tyrphostin-biochanin-a similarity", "source_label": "bis-tyrphostin", "target_label": "biochanin-a", "cosine_similarity": 0.2687743008136749 } }, { "source": "CID:5287953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "tipiracil-cefepime similarity", "source_label": "tipiracil", "target_label": "cefepime", "cosine_similarity": 0.7123017907142639 } }, { "source": "CID:6708636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "dihydrodeoxygedunin-myricetin similarity", "source_label": "dihydrodeoxygedunin", "target_label": "myricetin", "cosine_similarity": 0.22722227871418 } }, { "source": "CID:122077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "SR-27897-granisetron similarity", "source_label": "SR-27897", "target_label": "granisetron", "cosine_similarity": 0.4145815074443817 } }, { "source": "CID:9926048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "DMAB-anabaseine-SD-6-035-A3 similarity", "source_label": "DMAB-anabaseine", "target_label": "SD-6-035-A3", "cosine_similarity": 0.223575010895729 } }, { "source": "CID:3396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "fluspirilene-CAY-10594 similarity", "source_label": "fluspirilene", "target_label": "CAY-10594", "cosine_similarity": 0.554317057132721 } }, { "source": "CID:1257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16061185", "properties": { "id": "quinpirole-mead-ethanolamide similarity", "source_label": "quinpirole", "target_label": "mead-ethanolamide", "cosine_similarity": 0.2251740843057632 } }, { "source": "CID:54367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "altanserin-SGX-523 similarity", "source_label": "altanserin", "target_label": "SGX-523", "cosine_similarity": 0.3026458919048309 } }, { "source": "CID:2310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "bemegride-actarit similarity", "source_label": "bemegride", "target_label": "actarit", "cosine_similarity": 0.5071939826011658 } }, { "source": "CID:64945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "ursolic-acid-PF-03084014 similarity", "source_label": "ursolic-acid", "target_label": "PF-03084014", "cosine_similarity": 0.4208092093467712 } }, { "source": "CID:54666596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-1920453-SA-1458902 similarity", "source_label": "SA-1920453", "target_label": "SA-1458902", "cosine_similarity": 0.2919100522994995 } }, { "source": "CID:9803433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "MK-0752-LY-2365109 similarity", "source_label": "MK-0752", "target_label": "LY-2365109", "cosine_similarity": 0.3478771448135376 } }, { "source": "CID:16129666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "thiostrepton-SA-1447005 similarity", "source_label": "thiostrepton", "target_label": "SA-1447005", "cosine_similarity": 0.8131707906723022 } }, { "source": "CID:10313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "benzohydroxamic-acid-cefixime similarity", "source_label": "benzohydroxamic-acid", "target_label": "cefixime", "cosine_similarity": 0.3492211103439331 } }, { "source": "CID:72093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "otilonium-D-serine similarity", "source_label": "otilonium", "target_label": "D-serine", "cosine_similarity": 0.3926381468772888 } }, { "source": "CID:44602378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259136", "properties": { "id": "KU-C104129-VU-0415010 similarity", "source_label": "KU-C104129", "target_label": "VU-0415010", "cosine_similarity": 0.2845547795295715 } }, { "source": "CID:9957280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "NNC-55-0396-heliomycin similarity", "source_label": "NNC-55-0396", "target_label": "heliomycin", "cosine_similarity": 0.6812964677810669 } }, { "source": "CID:2719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "chloroquine-fasudil similarity", "source_label": "chloroquine", "target_label": "fasudil", "cosine_similarity": 0.4031646847724914 } }, { "source": "CID:3077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4855", "properties": { "id": "dimaprit-piromidic-acid similarity", "source_label": "dimaprit", "target_label": "piromidic-acid", "cosine_similarity": 0.2662048935890198 } }, { "source": "CID:44489675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "EMF-BCA1-57-motesanib similarity", "source_label": "EMF-BCA1-57", "target_label": "motesanib", "cosine_similarity": 0.2851774990558624 } }, { "source": "CID:1401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "PD-173074-neratinib similarity", "source_label": "PD-173074", "target_label": "neratinib", "cosine_similarity": 0.5720859169960022 } }, { "source": "CID:44968231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640175", "properties": { "id": "ML-167-KU-C104487 similarity", "source_label": "ML-167", "target_label": "KU-C104487", "cosine_similarity": 0.2259941548109054 } }, { "source": "CID:73707425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "guggulsterone-cerulenin similarity", "source_label": "guggulsterone", "target_label": "cerulenin", "cosine_similarity": 0.4786028861999511 } }, { "source": "CID:160254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604918", "properties": { "id": "cryptotanshinone-YM-976 similarity", "source_label": "cryptotanshinone", "target_label": "YM-976", "cosine_similarity": 0.287954032421112 } }, { "source": "CID:1833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "5-methoxytryptamine-NCS-382 similarity", "source_label": "5-methoxytryptamine", "target_label": "NCS-382", "cosine_similarity": 0.3185453414916992 } }, { "source": "CID:2130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "amantadine-lorazepam similarity", "source_label": "amantadine", "target_label": "lorazepam", "cosine_similarity": 0.3283351957798004 } }, { "source": "CID:44484798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-89735-SA-101686 similarity", "source_label": "SA-89735", "target_label": "SA-101686", "cosine_similarity": 0.6404572129249573 } }, { "source": "CID:4608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "micropenin-beclometasone similarity", "source_label": "micropenin", "target_label": "beclometasone", "cosine_similarity": 0.2709615528583526 } }, { "source": "CID:10171544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49831257", "properties": { "id": "zaprinast-filgotinib similarity", "source_label": "zaprinast", "target_label": "filgotinib", "cosine_similarity": 0.3909891545772552 } }, { "source": "CID:4688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "pargyline-NNC-711 similarity", "source_label": "pargyline", "target_label": "NNC-711", "cosine_similarity": 0.3596044778823852 } }, { "source": "CID:5353593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "DMBI-erythrosine similarity", "source_label": "DMBI", "target_label": "erythrosine", "cosine_similarity": 0.3141973614692688 } }, { "source": "CID:44490257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490224", "properties": { "id": "SA-102607-SA-101841 similarity", "source_label": "SA-102607", "target_label": "SA-101841", "cosine_similarity": 0.372757613658905 } }, { "source": "CID:44489854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-423131-FTI-276 similarity", "source_label": "SA-423131", "target_label": "FTI-276", "cosine_similarity": 0.3693341016769409 } }, { "source": "CID:6473767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "picrotoxin-Gossypetin similarity", "source_label": "picrotoxin", "target_label": "Gossypetin", "cosine_similarity": 0.2841371595859527 } }, { "source": "CID:5312122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "KN-93-terfenadine similarity", "source_label": "KN-93", "target_label": "terfenadine", "cosine_similarity": 0.5049556493759155 } }, { "source": "CID:2757979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "2-cyanopyrimidine-GNF-2 similarity", "source_label": "2-cyanopyrimidine", "target_label": "GNF-2", "cosine_similarity": 0.1568142175674438 } }, { "source": "CID:3476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3194", "properties": { "id": "glimepiride-ebselen similarity", "source_label": "glimepiride", "target_label": "ebselen", "cosine_similarity": 0.3496168851852417 } }, { "source": "CID:447713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "fexaramine-DAC-012 similarity", "source_label": "fexaramine", "target_label": "DAC-012", "cosine_similarity": 0.2330416738986969 } }, { "source": "CID:15723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1417813", "properties": { "id": "azacyclonol-MW-STK33-1A similarity", "source_label": "azacyclonol", "target_label": "MW-STK33-1A", "cosine_similarity": 0.2227983027696609 } }, { "source": "CID:2805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "cloperastine-6-chloromelatonin similarity", "source_label": "cloperastine", "target_label": "6-chloromelatonin", "cosine_similarity": 0.2766589820384979 } }, { "source": "CID:126402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503122", "properties": { "id": "PRE-084-SA-101776 similarity", "source_label": "PRE-084", "target_label": "SA-101776", "cosine_similarity": 0.2219783961772918 } }, { "source": "CID:159324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9935249", "properties": { "id": "tipifarnib-P2-tipifarnib similarity", "source_label": "tipifarnib-P2", "target_label": "tipifarnib", "cosine_similarity": 0.4818215668201446 } }, { "source": "CID:42601363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1544274", "properties": { "id": "MW-STK33-22-EMF-sumo1-4 similarity", "source_label": "MW-STK33-22", "target_label": "EMF-sumo1-4", "cosine_similarity": 0.289466917514801 } }, { "source": "CID:46196517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "EVP-6124-etomidate similarity", "source_label": "EVP-6124", "target_label": "etomidate", "cosine_similarity": 0.3145515024662018 } }, { "source": "CID:5510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "tolnaftate-apocynin similarity", "source_label": "tolnaftate", "target_label": "apocynin", "cosine_similarity": 0.4956888258457184 } }, { "source": "CID:5280445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:89594", "properties": { "id": "luteolin-nicotine similarity", "source_label": "luteolin", "target_label": "nicotine", "cosine_similarity": 0.2840495705604553 } }, { "source": "CID:17507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460", "properties": { "id": "etamsylate-guaiacol similarity", "source_label": "etamsylate", "target_label": "guaiacol", "cosine_similarity": 0.268320769071579 } }, { "source": "CID:54615594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483393", "properties": { "id": "SA-427730-SA-85901 similarity", "source_label": "SA-427730", "target_label": "SA-85901", "cosine_similarity": 0.2726311385631561 } }, { "source": "CID:10767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "amyleine-dubinidine similarity", "source_label": "amyleine", "target_label": "dubinidine", "cosine_similarity": 0.3387811779975891 } }, { "source": "CID:119182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "clofarabine-floxuridine similarity", "source_label": "clofarabine", "target_label": "floxuridine", "cosine_similarity": 0.7655251622200012 } }, { "source": "CID:2435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "brimonidine-DL-TBOA similarity", "source_label": "brimonidine", "target_label": "DL-TBOA", "cosine_similarity": 0.321117103099823 } }, { "source": "CID:54617432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658832", "properties": { "id": "SA-424380-SA-1459256 similarity", "source_label": "SA-424380", "target_label": "SA-1459256", "cosine_similarity": 0.229303166270256 } }, { "source": "CID:821257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108029", "properties": { "id": "RAN-14A-RU-24969 similarity", "source_label": "RAN-14A", "target_label": "RU-24969", "cosine_similarity": 0.330067902803421 } }, { "source": "CID:10109069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6129", "properties": { "id": "NS-3694-carbaryl similarity", "source_label": "NS-3694", "target_label": "carbaryl", "cosine_similarity": 0.2531173527240753 } }, { "source": "CID:44907124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "VU-0413247-1-RS-39604 similarity", "source_label": "VU-0413247-1", "target_label": "RS-39604", "cosine_similarity": 0.2720548510551452 } }, { "source": "CID:1133083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1013-BG-1016 similarity", "source_label": "BG-1013", "target_label": "BG-1016", "cosine_similarity": 0.4988852143287658 } }, { "source": "CID:6280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4207396", "properties": { "id": "veratridine-ST-014147 similarity", "source_label": "veratridine", "target_label": "ST-014147", "cosine_similarity": 0.2211828827857971 } }, { "source": "CID:11201035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "PHTPP-KU-C104248 similarity", "source_label": "PHTPP", "target_label": "KU-C104248", "cosine_similarity": 0.2831433713436126 } }, { "source": "CID:172813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "Gly-Gly-PALO-myriocin similarity", "source_label": "Gly-Gly-PALO", "target_label": "myriocin", "cosine_similarity": 0.5324897766113281 } }, { "source": "CID:1218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "SKF-81297-Ro-28-1675 similarity", "source_label": "SKF-81297", "target_label": "Ro-28-1675", "cosine_similarity": 0.2440449297428131 } }, { "source": "CID:5251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "sorbic-acid-molsidomine similarity", "source_label": "sorbic-acid", "target_label": "molsidomine", "cosine_similarity": 0.356642335653305 } }, { "source": "CID:47510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "lidamidine-paracetamol similarity", "source_label": "lidamidine", "target_label": "paracetamol", "cosine_similarity": 0.2821808159351349 } }, { "source": "CID:15625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53001", "properties": { "id": "TCDD-dioxin-dazoxiben similarity", "source_label": "TCDD-dioxin", "target_label": "dazoxiben", "cosine_similarity": 0.23595030605793 } }, { "source": "CID:73707398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6446335", "properties": { "id": "MD-040-BG-FA-0953 similarity", "source_label": "MD-040", "target_label": "BG-FA-0953", "cosine_similarity": 0.4883313775062561 } }, { "source": "CID:2752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "cilnidipine-BMS-754807 similarity", "source_label": "cilnidipine", "target_label": "BMS-754807", "cosine_similarity": 0.2428336441516876 } }, { "source": "CID:2910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "cyclothiazide-phenothrin similarity", "source_label": "cyclothiazide", "target_label": "phenothrin", "cosine_similarity": 0.4081916213035583 } }, { "source": "CID:126402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3242", "properties": { "id": "PRE-084-epirizole similarity", "source_label": "PRE-084", "target_label": "epirizole", "cosine_similarity": 0.2268517762422561 } }, { "source": "CID:46196517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "EVP-6124-REV-5901 similarity", "source_label": "EVP-6124", "target_label": "REV-5901", "cosine_similarity": 0.2927208542823791 } }, { "source": "CID:54657735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498994", "properties": { "id": "SA-1457187-SA-96835 similarity", "source_label": "SA-1457187", "target_label": "SA-96835", "cosine_similarity": 0.2362627387046814 } }, { "source": "CID:54657710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4201", "properties": { "id": "SA-1456508-minoxidil similarity", "source_label": "SA-1456508", "target_label": "minoxidil", "cosine_similarity": 0.2764763534069061 } }, { "source": "CID:686211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "KU-C104126N-triprolidine similarity", "source_label": "KU-C104126N", "target_label": "triprolidine", "cosine_similarity": 0.2726061642169952 } }, { "source": "CID:5385074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "kakonein-dipyridamole similarity", "source_label": "kakonein", "target_label": "dipyridamole", "cosine_similarity": 0.4082048237323761 } }, { "source": "CID:53245456", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "TUL_XIX003-methyl-fasudil similarity", "source_label": "TUL_XIX003", "target_label": "methyl-fasudil", "cosine_similarity": 0.4158926904201507 } }, { "source": "CID:7083563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "floxuridine-fdcyd similarity", "source_label": "floxuridine", "target_label": "fdcyd", "cosine_similarity": 0.745102047920227 } }, { "source": "CID:54654435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "SA-1472702-cefixime similarity", "source_label": "SA-1472702", "target_label": "cefixime", "cosine_similarity": 0.377842366695404 } }, { "source": "CID:5870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "estrone-gossypin similarity", "source_label": "estrone", "target_label": "gossypin", "cosine_similarity": 0.4324617087841034 } }, { "source": "CID:44251479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654437", "properties": { "id": "VU-0405166-2-SA-1472734 similarity", "source_label": "VU-0405166-2", "target_label": "SA-1472734", "cosine_similarity": 0.2666004300117492 } }, { "source": "CID:9826308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "GW-843682X-mebendazole similarity", "source_label": "GW-843682X", "target_label": "mebendazole", "cosine_similarity": 0.6528208255767822 } }, { "source": "CID:4723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497649", "properties": { "id": "pemoline-SD-6-035-A8 similarity", "source_label": "pemoline", "target_label": "SD-6-035-A8", "cosine_similarity": 0.3133925795555115 } }, { "source": "CID:2130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "amantadine-losartan similarity", "source_label": "amantadine", "target_label": "losartan", "cosine_similarity": 0.3265149593353271 } }, { "source": "CID:6604858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "SB-218795-temozolomide similarity", "source_label": "SB-218795", "target_label": "temozolomide", "cosine_similarity": 0.251859962940216 } }, { "source": "CID:5282339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "CGH-2466-emtricitabine similarity", "source_label": "CGH-2466", "target_label": "emtricitabine", "cosine_similarity": 0.2680948078632355 } }, { "source": "CID:5944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5757", "properties": { "id": "cantharidin-estradiol similarity", "source_label": "cantharidin", "target_label": "estradiol", "cosine_similarity": 0.2437576353549957 } }, { "source": "CID:6293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "alizarin-orciprenaline similarity", "source_label": "alizarin", "target_label": "orciprenaline", "cosine_similarity": 0.2451618611812591 } }, { "source": "CID:2125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "AM-251-NNC-55-0396 similarity", "source_label": "AM-251", "target_label": "NNC-55-0396", "cosine_similarity": 0.2677910327911377 } }, { "source": "CID:154575236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5440", "properties": { "id": "tribenoside-thiethylperazine similarity", "source_label": "tribenoside", "target_label": "thiethylperazine", "cosine_similarity": 0.1617441773414611 } }, { "source": "CID:54746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "cabergoline-PF-04457845 similarity", "source_label": "cabergoline", "target_label": "PF-04457845", "cosine_similarity": 0.4832266867160797 } }, { "source": "CID:2176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10398360", "properties": { "id": "ampiroxicam-3-matida similarity", "source_label": "ampiroxicam", "target_label": "3-matida", "cosine_similarity": 0.1925577223300933 } }, { "source": "CID:3742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "ioxaglic-acid-tetrahydrouridine similarity", "source_label": "ioxaglic-acid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.364992082118988 } }, { "source": "CID:4221587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "ST-4034902-mesoridazine similarity", "source_label": "ST-4034902", "target_label": "mesoridazine", "cosine_similarity": 0.2502853572368622 } }, { "source": "CID:3185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "E-4031-benzbromarone similarity", "source_label": "E-4031", "target_label": "benzbromarone", "cosine_similarity": 0.4049491286277771 } }, { "source": "CID:15074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10081070", "properties": { "id": "isonicotinamide-butyrolactone similarity", "source_label": "isonicotinamide", "target_label": "butyrolactone", "cosine_similarity": 0.3883244693279266 } }, { "source": "CID:460", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "guaiacol-SGX-523 similarity", "source_label": "guaiacol", "target_label": "SGX-523", "cosine_similarity": 0.2098640948534011 } }, { "source": "CID:1048267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "ML-161-phenothiazine similarity", "source_label": "ML-161", "target_label": "phenothiazine", "cosine_similarity": 0.4937401711940765 } }, { "source": "CID:46780805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47510", "properties": { "id": "bimatoprost-lidamidine similarity", "source_label": "bimatoprost", "target_label": "lidamidine", "cosine_similarity": 0.2543408572673797 } }, { "source": "CID:44907120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "VU-0413243-1-trifluoperazine similarity", "source_label": "VU-0413243-1", "target_label": "trifluoperazine", "cosine_similarity": 0.276585042476654 } }, { "source": "CID:1046", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "pyrazinamide-CO-102862 similarity", "source_label": "pyrazinamide", "target_label": "CO-102862", "cosine_similarity": 0.3296162784099579 } }, { "source": "CID:9951687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "methyl-fasudil-TUL-XXI039 similarity", "source_label": "methyl-fasudil", "target_label": "TUL-XXI039", "cosine_similarity": 0.485129714012146 } }, { "source": "CID:45110765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0400071-3-Gossypetin similarity", "source_label": "VU-0400071-3", "target_label": "Gossypetin", "cosine_similarity": 0.2218601405620575 } }, { "source": "CID:707029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "EX-527-lorazepam similarity", "source_label": "EX-527", "target_label": "lorazepam", "cosine_similarity": 0.4364390969276428 } }, { "source": "CID:50515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "amonafide-gemcitabine similarity", "source_label": "amonafide", "target_label": "gemcitabine", "cosine_similarity": 0.4820910394191742 } }, { "source": "CID:12625909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "cloxacillin-cefprozil similarity", "source_label": "cloxacillin", "target_label": "cefprozil", "cosine_similarity": 0.3414076864719391 } }, { "source": "CID:8378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3948", "properties": { "id": "neomycin-lomefloxacin similarity", "source_label": "neomycin", "target_label": "lomefloxacin", "cosine_similarity": 0.1854922175407409 } }, { "source": "CID:446156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "cerivastatin-fluvastatin similarity", "source_label": "cerivastatin", "target_label": "fluvastatin", "cosine_similarity": 0.4365378618240356 } }, { "source": "CID:439503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:720272", "properties": { "id": "salicin-ST-012015 similarity", "source_label": "salicin", "target_label": "ST-012015", "cosine_similarity": 0.2989568710327148 } }, { "source": "CID:9883029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "orteronel-NU-1025 similarity", "source_label": "orteronel", "target_label": "NU-1025", "cosine_similarity": 0.4085915684700012 } }, { "source": "CID:71748056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91930061", "properties": { "id": "QL-XII-47-bruceantin similarity", "source_label": "QL-XII-47", "target_label": "bruceantin", "cosine_similarity": 0.6987614631652832 } }, { "source": "CID:11822705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "BCL2-inhibitor-EMF-sumo1-11 similarity", "source_label": "BCL2-inhibitor", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5102799534797668 } }, { "source": "CID:44630538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "KU-C104254-KU-C104493 similarity", "source_label": "KU-C104254", "target_label": "KU-C104493", "cosine_similarity": 0.2225515693426132 } }, { "source": "CID:2435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "brimonidine-alpha-tocopherol similarity", "source_label": "brimonidine", "target_label": "alpha-tocopherol", "cosine_similarity": 0.3164481520652771 } }, { "source": "CID:3735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "iopanoic-acid-budesonide similarity", "source_label": "iopanoic-acid", "target_label": "budesonide", "cosine_similarity": 0.4003070890903473 } }, { "source": "CID:4919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9908992", "properties": { "id": "procyclidine-RS-79948 similarity", "source_label": "procyclidine", "target_label": "RS-79948", "cosine_similarity": 0.2031250447034835 } }, { "source": "CID:3906779", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2674", "properties": { "id": "Ro-106-9920-cercosporin similarity", "source_label": "Ro-106-9920", "target_label": "cercosporin", "cosine_similarity": 0.4951690137386322 } }, { "source": "CID:4943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "propofol-myriocin similarity", "source_label": "propofol", "target_label": "myriocin", "cosine_similarity": 0.2701613903045654 } }, { "source": "CID:16129666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "thiostrepton-EMF-bca1-16 similarity", "source_label": "thiostrepton", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7819277048110962 } }, { "source": "CID:1893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "7-nitroindazole-dalcetrapib similarity", "source_label": "7-nitroindazole", "target_label": "dalcetrapib", "cosine_similarity": 0.5388239622116089 } }, { "source": "CID:3162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "doxylamine-pentoxifylline similarity", "source_label": "doxylamine", "target_label": "pentoxifylline", "cosine_similarity": 0.2919643223285675 } }, { "source": "CID:2753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "cilostamide-rolipram similarity", "source_label": "cilostamide", "target_label": "rolipram", "cosine_similarity": 0.2367298752069473 } }, { "source": "CID:23777784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "UGISS-186-carbamazepine similarity", "source_label": "UGISS-186", "target_label": "carbamazepine", "cosine_similarity": 0.3012696504592895 } }, { "source": "CID:6435415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3547", "properties": { "id": "cilastatin-fasudil similarity", "source_label": "cilastatin", "target_label": "fasudil", "cosine_similarity": 0.3311984539031982 } }, { "source": "CID:5702063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3406", "properties": { "id": "guanaben-acetate-fomepizole similarity", "source_label": "guanaben-acetate", "target_label": "fomepizole", "cosine_similarity": 0.4306910634040832 } }, { "source": "CID:6918540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "dalcetrapib-T-5345967 similarity", "source_label": "dalcetrapib", "target_label": "T-5345967", "cosine_similarity": 0.5856847167015076 } }, { "source": "CID:9924495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "perampanel-MLN-9708 similarity", "source_label": "perampanel", "target_label": "MLN-9708", "cosine_similarity": 0.514829158782959 } }, { "source": "CID:41781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "torasemide-aspirin similarity", "source_label": "torasemide", "target_label": "aspirin", "cosine_similarity": 0.4288033545017242 } }, { "source": "CID:44607584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:363863", "properties": { "id": "KU-C104137-maackiain similarity", "source_label": "KU-C104137", "target_label": "maackiain", "cosine_similarity": 0.4170581102371216 } }, { "source": "CID:5071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "rimantadine-tibolone similarity", "source_label": "rimantadine", "target_label": "tibolone", "cosine_similarity": 0.3694119453430176 } }, { "source": "CID:2723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "chloroxylenol-drofenine similarity", "source_label": "chloroxylenol", "target_label": "drofenine", "cosine_similarity": 0.5515658259391785 } }, { "source": "CID:23930397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "heliotrine-DMNB similarity", "source_label": "heliotrine", "target_label": "DMNB", "cosine_similarity": 0.2692824006080627 } }, { "source": "CID:5359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006121", "properties": { "id": "suprofen-lacitol similarity", "source_label": "suprofen", "target_label": "lacitol", "cosine_similarity": 0.3250699043273926 } }, { "source": "CID:3330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "FCCP-hexachlorophene similarity", "source_label": "FCCP", "target_label": "hexachlorophene", "cosine_similarity": 0.7034851312637329 } }, { "source": "CID:336423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "TIC-10-cromoglicic-acid similarity", "source_label": "TIC-10", "target_label": "cromoglicic-acid", "cosine_similarity": 0.4242009222507477 } }, { "source": "CID:2733529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11712649", "properties": { "id": "baccatin-III-MLN-8054 similarity", "source_label": "baccatin-III", "target_label": "MLN-8054", "cosine_similarity": 0.3182977437973022 } }, { "source": "CID:16219259", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "depudecin-SB-939 similarity", "source_label": "depudecin", "target_label": "SB-939", "cosine_similarity": 0.2911269664764404 } }, { "source": "CID:4930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5709", "properties": { "id": "pronetalol-xylometazoline similarity", "source_label": "pronetalol", "target_label": "xylometazoline", "cosine_similarity": 0.2551271617412567 } }, { "source": "CID:71481097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36462", "properties": { "id": "KPT-330-etoposide similarity", "source_label": "KPT-330", "target_label": "etoposide", "cosine_similarity": 0.4871315956115722 } }, { "source": "CID:6453092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657693", "properties": { "id": "isorotenone-SA-1973509 similarity", "source_label": "isorotenone", "target_label": "SA-1973509", "cosine_similarity": 0.2755448222160339 } }, { "source": "CID:73707428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "carbetocin-cortisone similarity", "source_label": "carbetocin", "target_label": "cortisone", "cosine_similarity": 0.2788119316101074 } }, { "source": "CID:1042895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "felamidin-amikacin similarity", "source_label": "felamidin", "target_label": "amikacin", "cosine_similarity": 0.4890080988407135 } }, { "source": "CID:107967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071196", "properties": { "id": "FK-888-pimavanserin similarity", "source_label": "FK-888", "target_label": "pimavanserin", "cosine_similarity": 0.5079953670501709 } }, { "source": "CID:2712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9961192", "properties": { "id": "chlordiazepoxide-L-161982 similarity", "source_label": "chlordiazepoxide", "target_label": "L-161982", "cosine_similarity": 0.3072915375232696 } }, { "source": "CID:5328940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329102", "properties": { "id": "bosutinib-sunitinib similarity", "source_label": "bosutinib", "target_label": "sunitinib", "cosine_similarity": 0.5320684909820557 } }, { "source": "CID:24775005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53232", "properties": { "id": "sonidegib-lovastatin similarity", "source_label": "sonidegib", "target_label": "lovastatin", "cosine_similarity": 0.4501039981842041 } }, { "source": "CID:54618085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494424", "properties": { "id": "SA-424068-SA-103021 similarity", "source_label": "SA-424068", "target_label": "SA-103021", "cosine_similarity": 0.3558573424816131 } }, { "source": "CID:3820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18721", "properties": { "id": "kenpaullone-apigenin similarity", "source_label": "kenpaullone", "target_label": "apigenin", "cosine_similarity": 0.7679065465927124 } }, { "source": "CID:1206243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707420", "properties": { "id": "mirin-EI-247 similarity", "source_label": "mirin", "target_label": "EI-247", "cosine_similarity": 0.3452045321464538 } }, { "source": "CID:110635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "tadalafil-lorazepam similarity", "source_label": "tadalafil", "target_label": "lorazepam", "cosine_similarity": 0.3515236377716064 } }, { "source": "CID:10322450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "KO-143-Ro-28-1675 similarity", "source_label": "KO-143", "target_label": "Ro-28-1675", "cosine_similarity": 0.6762180924415588 } }, { "source": "CID:10479060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "BAY-59-3074-THZ-2-98-01 similarity", "source_label": "BAY-59-3074", "target_label": "THZ-2-98-01", "cosine_similarity": 0.2109649777412414 } }, { "source": "CID:1607628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "EMF-sumo1-3-SKI-II similarity", "source_label": "EMF-sumo1-3", "target_label": "SKI-II", "cosine_similarity": 0.476739764213562 } }, { "source": "CID:3450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4059", "properties": { "id": "gallamine-mephenesin similarity", "source_label": "gallamine", "target_label": "mephenesin", "cosine_similarity": 0.2598605751991272 } }, { "source": "CID:60190226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680406", "properties": { "id": "SA-1925996-MW-SHH-61 similarity", "source_label": "SA-1925996", "target_label": "MW-SHH-61", "cosine_similarity": 0.2482432425022125 } }, { "source": "CID:6103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6759", "properties": { "id": "zoxazolamine-riboflavin similarity", "source_label": "zoxazolamine", "target_label": "riboflavin", "cosine_similarity": 0.2337218970060348 } }, { "source": "CID:3539719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "3-methyl-GABA-inositol similarity", "source_label": "3-methyl-GABA", "target_label": "inositol", "cosine_similarity": 0.2884229719638824 } }, { "source": "CID:5280445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2782", "properties": { "id": "luteolin-clemizole similarity", "source_label": "luteolin", "target_label": "clemizole", "cosine_similarity": 0.3038761913776397 } }, { "source": "CID:92258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:146570", "properties": { "id": "phenylacetylglutamine-escitalopram similarity", "source_label": "phenylacetylglutamine", "target_label": "escitalopram", "cosine_similarity": 0.4236055314540863 } }, { "source": "CID:45281797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "VU-0365117-1-vincristine similarity", "source_label": "VU-0365117-1", "target_label": "vincristine", "cosine_similarity": 0.5781141519546509 } }, { "source": "CID:27200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5488645", "properties": { "id": "thiamphenicol-latamoxef similarity", "source_label": "thiamphenicol", "target_label": "latamoxef", "cosine_similarity": 0.1727619618177414 } }, { "source": "CID:5280378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "formononetin-dipyrocetyl similarity", "source_label": "formononetin", "target_label": "dipyrocetyl", "cosine_similarity": 0.3115893602371216 } }, { "source": "CID:3547", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "fasudil-rolipram similarity", "source_label": "fasudil", "target_label": "rolipram", "cosine_similarity": 0.4228446185588836 } }, { "source": "CID:3568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "EI-273-tetrahydrouridine similarity", "source_label": "EI-273", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4327963292598724 } }, { "source": "CID:5330535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "D-64406-WHI-P154 similarity", "source_label": "D-64406", "target_label": "WHI-P154", "cosine_similarity": 0.4347301721572876 } }, { "source": "CID:73707358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "debrisoquine-TUL-XXI039 similarity", "source_label": "debrisoquine", "target_label": "TUL-XXI039", "cosine_similarity": 0.2286308705806732 } }, { "source": "CID:131411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "arbidol-dipyridamole similarity", "source_label": "arbidol", "target_label": "dipyridamole", "cosine_similarity": 0.3331403434276581 } }, { "source": "CID:237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3213", "properties": { "id": "mepacrine-ellipticine similarity", "source_label": "mepacrine", "target_label": "ellipticine", "cosine_similarity": 0.5154632925987244 } }, { "source": "CID:449215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442912", "properties": { "id": "cycloserine-hydroquinidine similarity", "source_label": "cycloserine", "target_label": "hydroquinidine", "cosine_similarity": 0.1861196905374527 } }, { "source": "CID:128018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "GR-55562-STA-5326 similarity", "source_label": "GR-55562", "target_label": "STA-5326", "cosine_similarity": 0.3420548439025879 } }, { "source": "CID:110635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "tadalafil-estradiol-cypionate similarity", "source_label": "tadalafil", "target_label": "estradiol-cypionate", "cosine_similarity": 0.3195745944976806 } }, { "source": "CID:3135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "SU-4312-7b-cis similarity", "source_label": "SU-4312", "target_label": "7b-cis", "cosine_similarity": 0.2139553725719452 } }, { "source": "CID:44386188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "3-deazaadenosine-diazoxide similarity", "source_label": "3-deazaadenosine", "target_label": "diazoxide", "cosine_similarity": 0.2894252836704254 } }, { "source": "CID:10401611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "MC-1293-BML-210 similarity", "source_label": "MC-1293", "target_label": "BML-210", "cosine_similarity": 0.2801026403903961 } }, { "source": "CID:9867770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3277", "properties": { "id": "JTE-907-etazolate similarity", "source_label": "JTE-907", "target_label": "etazolate", "cosine_similarity": 0.2798182070255279 } }, { "source": "CID:162834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "fenobam-milrinone similarity", "source_label": "fenobam", "target_label": "milrinone", "cosine_similarity": 0.2908261716365814 } }, { "source": "CID:4020240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "sericetin-NSC-23766 similarity", "source_label": "sericetin", "target_label": "NSC-23766", "cosine_similarity": 0.2619396448135376 } }, { "source": "CID:135398737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "clozapine-conivaptan similarity", "source_label": "clozapine", "target_label": "conivaptan", "cosine_similarity": 0.4890905022621155 } }, { "source": "CID:5475586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "BCI-hydrochloride-EMF-sumo1-11 similarity", "source_label": "BCI-hydrochloride", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.7611978650093079 } }, { "source": "CID:3947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:229021", "properties": { "id": "lofepramine-methandriol similarity", "source_label": "lofepramine", "target_label": "methandriol", "cosine_similarity": 0.2691436409950256 } }, { "source": "CID:8362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "homosalate-naltrexone similarity", "source_label": "homosalate", "target_label": "naltrexone", "cosine_similarity": 0.265435516834259 } }, { "source": "CID:44577753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "ML-347-GDC-0199 similarity", "source_label": "ML-347", "target_label": "GDC-0199", "cosine_similarity": 0.2493606209754943 } }, { "source": "CID:70882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918537", "properties": { "id": "moxaverine-vildagliptin similarity", "source_label": "moxaverine", "target_label": "vildagliptin", "cosine_similarity": 0.3995923399925232 } }, { "source": "CID:5227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5723", "properties": { "id": "SKF-91488-zardaverine similarity", "source_label": "SKF-91488", "target_label": "zardaverine", "cosine_similarity": 0.2443085759878158 } }, { "source": "CID:2370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "bethanechol-TCPOBOP similarity", "source_label": "bethanechol", "target_label": "TCPOBOP", "cosine_similarity": 0.2789903581142425 } }, { "source": "CID:60854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "ziprasidone-pifithrin-mu similarity", "source_label": "ziprasidone", "target_label": "pifithrin-mu", "cosine_similarity": 0.4076519310474396 } }, { "source": "CID:50599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "didanosine-linsidomine similarity", "source_label": "didanosine", "target_label": "linsidomine", "cosine_similarity": 0.2325983345508575 } }, { "source": "CID:6419753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "D-4476-CCT-031374 similarity", "source_label": "D-4476", "target_label": "CCT-031374", "cosine_similarity": 0.4921464622020721 } }, { "source": "CID:6708558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149784", "properties": { "id": "haematoxylin-pentaacetate-EHNA similarity", "source_label": "haematoxylin-pentaacetate", "target_label": "EHNA", "cosine_similarity": 0.2080639600753784 } }, { "source": "CID:4486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "nifekalant-fumonisin-b1 similarity", "source_label": "nifekalant", "target_label": "fumonisin-b1", "cosine_similarity": 0.2759449183940887 } }, { "source": "CID:515709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503044", "properties": { "id": "phenylalanyltyrosine-dihydroobliquin similarity", "source_label": "phenylalanyltyrosine", "target_label": "dihydroobliquin", "cosine_similarity": 0.2455952614545822 } }, { "source": "CID:54841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3671", "properties": { "id": "atomoxetine-ibudilast similarity", "source_label": "atomoxetine", "target_label": "ibudilast", "cosine_similarity": 0.2974773049354553 } }, { "source": "CID:839770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24733", "properties": { "id": "RAN-14B-alfadolone-acetate similarity", "source_label": "RAN-14B", "target_label": "alfadolone-acetate", "cosine_similarity": 0.2490253448486328 } }, { "source": "CID:5311340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "JTC-801-I-606051 similarity", "source_label": "JTC-801", "target_label": "I-606051", "cosine_similarity": 0.2990464270114898 } }, { "source": "CID:5572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707514", "properties": { "id": "trihexyphenidyl-atractyloside similarity", "source_label": "trihexyphenidyl", "target_label": "atractyloside", "cosine_similarity": 0.2437638491392135 } }, { "source": "CID:44295709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "RTI-55-tenoxicam similarity", "source_label": "RTI-55", "target_label": "tenoxicam", "cosine_similarity": 0.187548741698265 } }, { "source": "CID:73707370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "TUL-XVIII076-myricetin similarity", "source_label": "TUL-XVIII076", "target_label": "myricetin", "cosine_similarity": 0.2877196073532104 } }, { "source": "CID:4507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "nitrendipine-phenothiazine similarity", "source_label": "nitrendipine", "target_label": "phenothiazine", "cosine_similarity": 0.3446868062019348 } }, { "source": "CID:135409468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "desmethylclozapine-CAY-10594 similarity", "source_label": "desmethylclozapine", "target_label": "CAY-10594", "cosine_similarity": 0.4503393471240997 } }, { "source": "CID:66577006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11654378", "properties": { "id": "KIN001-270-KIN001-269 similarity", "source_label": "KIN001-270", "target_label": "KIN001-269", "cosine_similarity": 0.4272747039794922 } }, { "source": "CID:24856224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "FU-JMBII113B-temozolomide similarity", "source_label": "FU-JMBII113B", "target_label": "temozolomide", "cosine_similarity": 0.2531471252441406 } }, { "source": "CID:151170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918493", "properties": { "id": "cilomilast-ambrisentan similarity", "source_label": "cilomilast", "target_label": "ambrisentan", "cosine_similarity": 0.4548778235912323 } }, { "source": "CID:6128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "androstenedione-phenothiazine similarity", "source_label": "androstenedione", "target_label": "phenothiazine", "cosine_similarity": 0.2466379553079605 } }, { "source": "CID:3157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "doxazosin-rimonabant similarity", "source_label": "doxazosin", "target_label": "rimonabant", "cosine_similarity": 0.4030951857566833 } }, { "source": "CID:442530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18721", "properties": { "id": "ochratoxin-a-apigenin similarity", "source_label": "ochratoxin-a", "target_label": "apigenin", "cosine_similarity": 0.2491904944181442 } }, { "source": "CID:5917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3000322", "properties": { "id": "pentylenetetrazol-scopolamine similarity", "source_label": "pentylenetetrazol", "target_label": "scopolamine", "cosine_similarity": 0.2944869101047516 } }, { "source": "CID:68508601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "PT-630-Gly-Gly-PALO similarity", "source_label": "PT-630", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.5566756725311279 } }, { "source": "CID:5808", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16218996", "properties": { "id": "levisoprenaline-beclometasone similarity", "source_label": "levisoprenaline", "target_label": "beclometasone", "cosine_similarity": 0.2925145328044891 } }, { "source": "CID:4810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "moxonidine-ABT-202 similarity", "source_label": "moxonidine", "target_label": "ABT-202", "cosine_similarity": 0.2855803966522217 } }, { "source": "CID:2286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "BADGE-CT-200783 similarity", "source_label": "BADGE", "target_label": "CT-200783", "cosine_similarity": 0.5769979953765869 } }, { "source": "CID:441140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3324", "properties": { "id": "griseofulvin-famciclovir similarity", "source_label": "griseofulvin", "target_label": "famciclovir", "cosine_similarity": 0.4555709660053253 } }, { "source": "CID:6419747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "SYK-inhibitor-RAF-265 similarity", "source_label": "SYK-inhibitor", "target_label": "RAF-265", "cosine_similarity": 0.3609351813793182 } }, { "source": "CID:44492086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3568", "properties": { "id": "SD-8-006-EI-273 similarity", "source_label": "SD-8-006", "target_label": "EI-273", "cosine_similarity": 0.2415486425161361 } }, { "source": "CID:65351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "pyrrolidine-dithiocarbamate-F-1566-0341 similarity", "source_label": "pyrrolidine-dithiocarbamate", "target_label": "F-1566-0341", "cosine_similarity": 0.6192275285720825 } }, { "source": "CID:44497649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "SD-6-035-A8-piperacillin similarity", "source_label": "SD-6-035-A8", "target_label": "piperacillin", "cosine_similarity": 0.317777156829834 } }, { "source": "CID:3385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "fluorouracil-nutlin-3 similarity", "source_label": "fluorouracil", "target_label": "nutlin-3", "cosine_similarity": 0.3985936641693115 } }, { "source": "CID:195165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "SR-95639A-mestranol similarity", "source_label": "SR-95639A", "target_label": "mestranol", "cosine_similarity": 0.2712090313434601 } }, { "source": "CID:66654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "xanthoxyline-lorazepam similarity", "source_label": "xanthoxyline", "target_label": "lorazepam", "cosine_similarity": 0.2988424599170685 } }, { "source": "CID:16043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "tert-butylhydroquinone-pifithrin-mu similarity", "source_label": "tert-butylhydroquinone", "target_label": "pifithrin-mu", "cosine_similarity": 0.3194752931594848 } }, { "source": "CID:25166913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "glasdegib-GDC-0199 similarity", "source_label": "glasdegib", "target_label": "GDC-0199", "cosine_similarity": 0.280947208404541 } }, { "source": "CID:67361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "thiomersal-K784-3187 similarity", "source_label": "thiomersal", "target_label": "K784-3187", "cosine_similarity": 0.2948147654533386 } }, { "source": "CID:5491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "tetramethylsilane-syringic-acid similarity", "source_label": "tetramethylsilane", "target_label": "syringic-acid", "cosine_similarity": 0.3336899280548095 } }, { "source": "CID:47318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3758", "properties": { "id": "oltipraz-IBMX similarity", "source_label": "oltipraz", "target_label": "IBMX", "cosine_similarity": 0.1924280226230621 } }, { "source": "CID:3598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "hexachlorophene-cyclosporin-a similarity", "source_label": "hexachlorophene", "target_label": "cyclosporin-a", "cosine_similarity": 0.5641660094261169 } }, { "source": "CID:667476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "dienestrol-gemfibrozil similarity", "source_label": "dienestrol", "target_label": "gemfibrozil", "cosine_similarity": 0.5426844358444214 } }, { "source": "CID:6918453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "auranofin-manumycin-a similarity", "source_label": "auranofin", "target_label": "manumycin-a", "cosine_similarity": 0.6496432423591614 } }, { "source": "CID:4521392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "SB-431542-Y-27632 similarity", "source_label": "SB-431542", "target_label": "Y-27632", "cosine_similarity": 0.3078731596469879 } }, { "source": "CID:73707477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "pivmecillinam-inositol similarity", "source_label": "pivmecillinam", "target_label": "inositol", "cosine_similarity": 0.2868682146072387 } }, { "source": "CID:11219835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "ataluren-GDC-0199 similarity", "source_label": "ataluren", "target_label": "GDC-0199", "cosine_similarity": 0.3378347158432007 } }, { "source": "CID:5311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "vorinostat-JNJ-26481585 similarity", "source_label": "vorinostat", "target_label": "JNJ-26481585", "cosine_similarity": 0.9004711508750916 } }, { "source": "CID:11656518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "RAF-265-dabrafenib similarity", "source_label": "RAF-265", "target_label": "dabrafenib", "cosine_similarity": 0.8003293871879578 } }, { "source": "CID:72344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "nobiletin-flumethasone-pivalate similarity", "source_label": "nobiletin", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.197919026017189 } }, { "source": "CID:25257557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "CX-5461-irinotecan similarity", "source_label": "CX-5461", "target_label": "irinotecan", "cosine_similarity": 0.4693654477596283 } }, { "source": "CID:3289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "ethoprop-UNC-0321 similarity", "source_label": "ethoprop", "target_label": "UNC-0321", "cosine_similarity": 0.2592787146568298 } }, { "source": "CID:4369270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708762", "properties": { "id": "digitoxigenin-periplocymarin similarity", "source_label": "digitoxigenin", "target_label": "periplocymarin", "cosine_similarity": 0.8880289196968079 } }, { "source": "CID:9931954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "rucaparib-kenpaullone similarity", "source_label": "rucaparib", "target_label": "kenpaullone", "cosine_similarity": 0.5927309989929199 } }, { "source": "CID:25226483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4084010", "properties": { "id": "HG-5-113-01-EMF-sumo1-1 similarity", "source_label": "HG-5-113-01", "target_label": "EMF-sumo1-1", "cosine_similarity": 0.3306451737880707 } }, { "source": "CID:54657708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658215", "properties": { "id": "SA-1457336-SA-1457103 similarity", "source_label": "SA-1457336", "target_label": "SA-1457103", "cosine_similarity": 0.3054316639900207 } }, { "source": "CID:1329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "DPCPX-mepivacaine similarity", "source_label": "DPCPX", "target_label": "mepivacaine", "cosine_similarity": 0.4482328295707702 } }, { "source": "CID:4549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "NPPB-NU-1025 similarity", "source_label": "NPPB", "target_label": "NU-1025", "cosine_similarity": 0.2030051052570343 } }, { "source": "CID:44229302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "RAN-05-SA-1973507 similarity", "source_label": "RAN-05", "target_label": "SA-1973507", "cosine_similarity": 0.3787074983119964 } }, { "source": "CID:9958279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "S-26948-cianidanol similarity", "source_label": "S-26948", "target_label": "cianidanol", "cosine_similarity": 0.1988469809293747 } }, { "source": "CID:44623833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593870", "properties": { "id": "KU-C104218-KU-C103885 similarity", "source_label": "KU-C104218", "target_label": "KU-C103885", "cosine_similarity": 0.209327220916748 } }, { "source": "CID:18496254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747210", "properties": { "id": "lactotensin-PSH-027 similarity", "source_label": "lactotensin", "target_label": "PSH-027", "cosine_similarity": 0.2168393284082412 } }, { "source": "CID:88505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "DMNB-proxyphylline similarity", "source_label": "DMNB", "target_label": "proxyphylline", "cosine_similarity": 0.5204969048500061 } }, { "source": "CID:44640183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "KU-C104486-KU-C104493 similarity", "source_label": "KU-C104486", "target_label": "KU-C104493", "cosine_similarity": 0.7305722832679749 } }, { "source": "CID:448281", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2123", "properties": { "id": "ORE-1001-altretamine similarity", "source_label": "ORE-1001", "target_label": "altretamine", "cosine_similarity": 0.2799549698829651 } }, { "source": "CID:71350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710772", "properties": { "id": "cinalukast-lysylphenylalanyl-tyrosine similarity", "source_label": "cinalukast", "target_label": "lysylphenylalanyl-tyrosine", "cosine_similarity": 0.2073809206485748 } }, { "source": "CID:5361092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213039", "properties": { "id": "butorphanol-(+)-tartrate-darunavir similarity", "source_label": "butorphanol-(+)-tartrate", "target_label": "darunavir", "cosine_similarity": 0.1443197131156921 } }, { "source": "CID:10742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "syringic-acid-oxaprozin similarity", "source_label": "syringic-acid", "target_label": "oxaprozin", "cosine_similarity": 0.3641524612903595 } }, { "source": "CID:1201549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "benzatropine-lasalocid similarity", "source_label": "benzatropine", "target_label": "lasalocid", "cosine_similarity": 0.2782998085021972 } }, { "source": "CID:5819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444254", "properties": { "id": "levothyroxine-acarbose similarity", "source_label": "levothyroxine", "target_label": "acarbose", "cosine_similarity": 0.3829224109649658 } }, { "source": "CID:3463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "gemfibrozil-ICI-162846 similarity", "source_label": "gemfibrozil", "target_label": "ICI-162846", "cosine_similarity": 0.591850221157074 } }, { "source": "CID:6610303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "U-74389F-CAM-9-027-3 similarity", "source_label": "U-74389F", "target_label": "CAM-9-027-3", "cosine_similarity": 0.2629510164260864 } }, { "source": "CID:24995524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6758", "properties": { "id": "SNS-314-rotenone similarity", "source_label": "SNS-314", "target_label": "rotenone", "cosine_similarity": 0.2472490221261978 } }, { "source": "CID:5358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "sumatriptan-PF-03084014 similarity", "source_label": "sumatriptan", "target_label": "PF-03084014", "cosine_similarity": 0.5214903354644775 } }, { "source": "CID:73707411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4780", "properties": { "id": "treprostinil-1-phenylbiguanide similarity", "source_label": "treprostinil", "target_label": "1-phenylbiguanide", "cosine_similarity": 0.2764482796192169 } }, { "source": "CID:24086306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "I-070759-AG-592 similarity", "source_label": "I-070759", "target_label": "AG-592", "cosine_similarity": 0.684333086013794 } }, { "source": "CID:3883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "lansoprazole-PSH-024 similarity", "source_label": "lansoprazole", "target_label": "PSH-024", "cosine_similarity": 0.252017468214035 } }, { "source": "CID:183782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "RS-67333-evoxine similarity", "source_label": "RS-67333", "target_label": "evoxine", "cosine_similarity": 0.2212666124105453 } }, { "source": "CID:2736301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3941250", "properties": { "id": "TBEP-nitrocaramiphen similarity", "source_label": "TBEP", "target_label": "nitrocaramiphen", "cosine_similarity": 0.2929597795009613 } }, { "source": "CID:44224257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445540", "properties": { "id": "filanesib-ixabepilone similarity", "source_label": "filanesib", "target_label": "ixabepilone", "cosine_similarity": 0.7314562201499939 } }, { "source": "CID:2941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "D-609-GDC-0199 similarity", "source_label": "D-609", "target_label": "GDC-0199", "cosine_similarity": 0.369628757238388 } }, { "source": "CID:1983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918184", "properties": { "id": "paracetamol-Y-27152 similarity", "source_label": "paracetamol", "target_label": "Y-27152", "cosine_similarity": 0.3655179142951965 } }, { "source": "CID:6918493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20555075", "properties": { "id": "ambrisentan-CGP-12177 similarity", "source_label": "ambrisentan", "target_label": "CGP-12177", "cosine_similarity": 0.4492080807685852 } }, { "source": "CID:16095342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "GSK-269962-BMS-754807 similarity", "source_label": "GSK-269962", "target_label": "BMS-754807", "cosine_similarity": 0.3376220166683197 } }, { "source": "CID:59473233", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607530", "properties": { "id": "GS-9973-WZ-4002 similarity", "source_label": "GS-9973", "target_label": "WZ-4002", "cosine_similarity": 0.3475830554962158 } }, { "source": "CID:1676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5734", "properties": { "id": "enprofylline-zonisamide similarity", "source_label": "enprofylline", "target_label": "zonisamide", "cosine_similarity": 0.362690269947052 } }, { "source": "CID:44507332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "SA-247714-entinostat similarity", "source_label": "SA-247714", "target_label": "entinostat", "cosine_similarity": 0.5392080545425415 } }, { "source": "CID:2438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "BRL-54443-carbamazepine similarity", "source_label": "BRL-54443", "target_label": "carbamazepine", "cosine_similarity": 0.30011847615242 } }, { "source": "CID:9829526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46848036", "properties": { "id": "siramesine-flumatinib similarity", "source_label": "siramesine", "target_label": "flumatinib", "cosine_similarity": 0.3661112785339355 } }, { "source": "CID:115210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "ZK-93426-flutrimazole similarity", "source_label": "ZK-93426", "target_label": "flutrimazole", "cosine_similarity": 0.3099320530891418 } }, { "source": "CID:13037657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "anecortave-acetate-orphenadrine similarity", "source_label": "anecortave-acetate", "target_label": "orphenadrine", "cosine_similarity": 0.5621365308761597 } }, { "source": "CID:10235", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "cytisine-tipiracil similarity", "source_label": "cytisine", "target_label": "tipiracil", "cosine_similarity": 0.4330948293209076 } }, { "source": "CID:4912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "probucol-luliconazole similarity", "source_label": "probucol", "target_label": "luliconazole", "cosine_similarity": 0.4724887013435364 } }, { "source": "CID:54682876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11973736", "properties": { "id": "tasquinimod-TG-100801 similarity", "source_label": "tasquinimod", "target_label": "TG-100801", "cosine_similarity": 0.4040379226207733 } }, { "source": "CID:3752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "irsogladine-vinpocetine similarity", "source_label": "irsogladine", "target_label": "vinpocetine", "cosine_similarity": 0.3038713037967682 } }, { "source": "CID:3579925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "PHCCC-tazobactam similarity", "source_label": "PHCCC", "target_label": "tazobactam", "cosine_similarity": 0.29391810297966 } }, { "source": "CID:71655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "moroxydine-KIN001-055 similarity", "source_label": "moroxydine", "target_label": "KIN001-055", "cosine_similarity": 0.1944993883371353 } }, { "source": "CID:6675804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "tubacin-PAC-1 similarity", "source_label": "tubacin", "target_label": "PAC-1", "cosine_similarity": 0.4856735169887543 } }, { "source": "CID:641266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "anabasine-EMF-sumo1-6 similarity", "source_label": "anabasine", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.27220019698143 } }, { "source": "CID:6918837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "panobinostat-JNJ-26481585 similarity", "source_label": "panobinostat", "target_label": "JNJ-26481585", "cosine_similarity": 0.9138470888137816 } }, { "source": "CID:64139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "efavirenz-gemifloxacin similarity", "source_label": "efavirenz", "target_label": "gemifloxacin", "cosine_similarity": 0.4661030769348144 } }, { "source": "CID:124087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "desloratadine-STA-5326 similarity", "source_label": "desloratadine", "target_label": "STA-5326", "cosine_similarity": 0.3154019117355346 } }, { "source": "CID:46218908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "ONX-0914-thiostrepton similarity", "source_label": "ONX-0914", "target_label": "thiostrepton", "cosine_similarity": 0.4488105475902557 } }, { "source": "CID:6918837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "panobinostat-HC-toxin similarity", "source_label": "panobinostat", "target_label": "HC-toxin", "cosine_similarity": 0.8746669292449951 } }, { "source": "CID:4578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "O6-benzylguanine-pirfenidone similarity", "source_label": "O6-benzylguanine", "target_label": "pirfenidone", "cosine_similarity": 0.3693665862083435 } }, { "source": "CID:1935", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "tacrine-T-0156 similarity", "source_label": "tacrine", "target_label": "T-0156", "cosine_similarity": 0.3162169158458709 } }, { "source": "CID:4631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "oxprenolol-CV-1808 similarity", "source_label": "oxprenolol", "target_label": "CV-1808", "cosine_similarity": 0.306266188621521 } }, { "source": "CID:24855958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "TCS-2002-CHIR-99021 similarity", "source_label": "TCS-2002", "target_label": "CHIR-99021", "cosine_similarity": 0.3868236839771271 } }, { "source": "CID:5383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "tebuthiuron-DL-TBOA similarity", "source_label": "tebuthiuron", "target_label": "DL-TBOA", "cosine_similarity": 0.3170600235462188 } }, { "source": "CID:9844347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:415541", "properties": { "id": "CFM-1571-U-18666A similarity", "source_label": "CFM-1571", "target_label": "U-18666A", "cosine_similarity": 0.4175873696804046 } }, { "source": "CID:132971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "abiraterone-resatorvid similarity", "source_label": "abiraterone", "target_label": "resatorvid", "cosine_similarity": 0.3117563426494598 } }, { "source": "CID:25262792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "AZD-2014-NVP-BEZ235 similarity", "source_label": "AZD-2014", "target_label": "NVP-BEZ235", "cosine_similarity": 0.8177830576896667 } }, { "source": "CID:5282060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "heliomycin-bithionol similarity", "source_label": "heliomycin", "target_label": "bithionol", "cosine_similarity": 0.708893895149231 } }, { "source": "CID:45006067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "parthenolide-cerulenin similarity", "source_label": "parthenolide", "target_label": "cerulenin", "cosine_similarity": 0.6819058656692505 } }, { "source": "CID:9799509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "ER-27319-triptolide similarity", "source_label": "ER-27319", "target_label": "triptolide", "cosine_similarity": 0.781450629234314 } }, { "source": "CID:4583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44603531", "properties": { "id": "ofloxacin-grazoprevir similarity", "source_label": "ofloxacin", "target_label": "grazoprevir", "cosine_similarity": 0.5566290020942688 } }, { "source": "CID:1241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3941250", "properties": { "id": "SKF-77434-nitrocaramiphen similarity", "source_label": "SKF-77434", "target_label": "nitrocaramiphen", "cosine_similarity": 0.2750009000301361 } }, { "source": "CID:9829526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "siramesine-STA-5326 similarity", "source_label": "siramesine", "target_label": "STA-5326", "cosine_similarity": 0.3887335360050201 } }, { "source": "CID:6890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "gramine-PD-128907 similarity", "source_label": "gramine", "target_label": "PD-128907", "cosine_similarity": 0.4855858981609344 } }, { "source": "CID:3926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "lidoflazine-dapivirine similarity", "source_label": "lidoflazine", "target_label": "dapivirine", "cosine_similarity": 0.349763810634613 } }, { "source": "CID:68801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:78357816", "properties": { "id": "piketoprofen-VT-464 similarity", "source_label": "piketoprofen", "target_label": "VT-464", "cosine_similarity": 0.282219260931015 } }, { "source": "CID:73707376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "DC-45-A2-BMS-191011 similarity", "source_label": "DC-45-A2", "target_label": "BMS-191011", "cosine_similarity": 0.5135802626609802 } }, { "source": "CID:5893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4006", "properties": { "id": "nadide-malotilate similarity", "source_label": "nadide", "target_label": "malotilate", "cosine_similarity": 0.289896547794342 } }, { "source": "CID:166558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "avasimibe-sorafenib similarity", "source_label": "avasimibe", "target_label": "sorafenib", "cosine_similarity": 0.3806455731391907 } }, { "source": "CID:1923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "oxyquinoline-bithionol similarity", "source_label": "oxyquinoline", "target_label": "bithionol", "cosine_similarity": 0.1934948116540908 } }, { "source": "CID:197835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "hydrastine-resorcinol similarity", "source_label": "hydrastine", "target_label": "resorcinol", "cosine_similarity": 0.2886026799678802 } }, { "source": "CID:54686939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "dihydrorobustic-acid-gossypin similarity", "source_label": "dihydrorobustic-acid", "target_label": "gossypin", "cosine_similarity": 0.2912880182266235 } }, { "source": "CID:2131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50942", "properties": { "id": "ambenonium-doxofylline similarity", "source_label": "ambenonium", "target_label": "doxofylline", "cosine_similarity": 0.1559341549873352 } }, { "source": "CID:9949641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "NPI-2358-CYT-997 similarity", "source_label": "NPI-2358", "target_label": "CYT-997", "cosine_similarity": 0.5659628510475159 } }, { "source": "CID:3371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "flufenamic-acid-parecoxib similarity", "source_label": "flufenamic-acid", "target_label": "parecoxib", "cosine_similarity": 0.2533405423164367 } }, { "source": "CID:3600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3752", "properties": { "id": "miltefosine-irsogladine similarity", "source_label": "miltefosine", "target_label": "irsogladine", "cosine_similarity": 0.2717127799987793 } }, { "source": "CID:56928031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12387471", "properties": { "id": "KUC111109N-KUC111774N similarity", "source_label": "KUC111109N", "target_label": "KUC111774N", "cosine_similarity": 0.1920880377292633 } }, { "source": "CID:16793302", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1016-BG-1032 similarity", "source_label": "BG-1016", "target_label": "BG-1032", "cosine_similarity": 0.5889011025428772 } }, { "source": "CID:11773081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53232", "properties": { "id": "norgestimate-lovastatin similarity", "source_label": "norgestimate", "target_label": "lovastatin", "cosine_similarity": 0.3125430345535278 } }, { "source": "CID:3647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2022", "properties": { "id": "hydroflumethiazide-acyclovir similarity", "source_label": "hydroflumethiazide", "target_label": "acyclovir", "cosine_similarity": 0.3341855704784393 } }, { "source": "CID:11207937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "TMPH-fillalbin similarity", "source_label": "TMPH", "target_label": "fillalbin", "cosine_similarity": 0.3221940100193023 } }, { "source": "CID:5212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10377751", "properties": { "id": "sildenafil-AS-605240 similarity", "source_label": "sildenafil", "target_label": "AS-605240", "cosine_similarity": 0.4453516006469726 } }, { "source": "CID:3082718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "ICI-199441-fluvastatin similarity", "source_label": "ICI-199441", "target_label": "fluvastatin", "cosine_similarity": 0.4511770009994507 } }, { "source": "CID:14187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311309", "properties": { "id": "ST-1859-nateglinide similarity", "source_label": "ST-1859", "target_label": "nateglinide", "cosine_similarity": 0.4399312436580658 } }, { "source": "CID:3894573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "RS-17053-CGP-71683 similarity", "source_label": "RS-17053", "target_label": "CGP-71683", "cosine_similarity": 0.7310330867767334 } }, { "source": "CID:46843648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "NPK76-II-72-1-dienestrol similarity", "source_label": "NPK76-II-72-1", "target_label": "dienestrol", "cosine_similarity": 0.3908658623695373 } }, { "source": "CID:3971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "LY-303511-BI-2536 similarity", "source_label": "LY-303511", "target_label": "BI-2536", "cosine_similarity": 0.325760155916214 } }, { "source": "CID:11327430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843772", "properties": { "id": "NU-7441-XMD-892 similarity", "source_label": "NU-7441", "target_label": "XMD-892", "cosine_similarity": 0.4912669360637665 } }, { "source": "CID:5961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1716436", "properties": { "id": "glutamine-JMW-MITF1 similarity", "source_label": "glutamine", "target_label": "JMW-MITF1", "cosine_similarity": 0.5266028642654419 } }, { "source": "CID:53340666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918638", "properties": { "id": "ACY-1215-belinostat similarity", "source_label": "ACY-1215", "target_label": "belinostat", "cosine_similarity": 0.6843664646148682 } }, { "source": "CID:57267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4883", "properties": { "id": "eticlopride-practolol similarity", "source_label": "eticlopride", "target_label": "practolol", "cosine_similarity": 0.2204798012971878 } }, { "source": "CID:4302964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10291556", "properties": { "id": "KU-14R-meloxicam similarity", "source_label": "KU-14R", "target_label": "meloxicam", "cosine_similarity": 0.2979452013969421 } }, { "source": "CID:73707508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2733", "properties": { "id": "lynestrenol-chlorzoxazone similarity", "source_label": "lynestrenol", "target_label": "chlorzoxazone", "cosine_similarity": 0.2218044400215149 } }, { "source": "CID:51173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "flurofamide-gatifloxacin similarity", "source_label": "flurofamide", "target_label": "gatifloxacin", "cosine_similarity": 0.292393147945404 } }, { "source": "CID:5702094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11319053", "properties": { "id": "norethindrone-telcagepant similarity", "source_label": "norethindrone", "target_label": "telcagepant", "cosine_similarity": 0.3312320709228515 } }, { "source": "CID:54655704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-1462738-SA-441487 similarity", "source_label": "SA-1462738", "target_label": "SA-441487", "cosine_similarity": 0.2291878461837768 } }, { "source": "CID:456214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707346", "properties": { "id": "purvalanol-a-pyrvinium similarity", "source_label": "purvalanol-a", "target_label": "pyrvinium", "cosine_similarity": 0.3149846792221069 } }, { "source": "CID:446556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "pemetrexed-ASN-05257430 similarity", "source_label": "pemetrexed", "target_label": "ASN-05257430", "cosine_similarity": 0.5119056701660156 } }, { "source": "CID:5202074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "MRS-1845-flutamide similarity", "source_label": "MRS-1845", "target_label": "flutamide", "cosine_similarity": 0.2592905163764953 } }, { "source": "CID:4837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "piperazine-oleoylethanolamide similarity", "source_label": "piperazine", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2448071539402008 } }, { "source": "CID:54658117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "SA-1457810-UB-165 similarity", "source_label": "SA-1457810", "target_label": "UB-165", "cosine_similarity": 0.3078899681568146 } }, { "source": "CID:14973220", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "SD-169-ARG-TC-41 similarity", "source_label": "SD-169", "target_label": "ARG-TC-41", "cosine_similarity": 0.2541234493255615 } }, { "source": "CID:4755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610310", "properties": { "id": "phenamil-MBCQ similarity", "source_label": "phenamil", "target_label": "MBCQ", "cosine_similarity": 0.2599911093711853 } }, { "source": "CID:4995951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "PD-102807-terfenadine similarity", "source_label": "PD-102807", "target_label": "terfenadine", "cosine_similarity": 0.5262869596481323 } }, { "source": "CID:5269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46907798", "properties": { "id": "splitomycin-EMF-BCA1-64 similarity", "source_label": "splitomycin", "target_label": "EMF-BCA1-64", "cosine_similarity": 0.2728568613529205 } }, { "source": "CID:73707429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "oligomycin-a-niclosamide similarity", "source_label": "oligomycin-a", "target_label": "niclosamide", "cosine_similarity": 0.4982843101024627 } }, { "source": "CID:13121776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7638", "properties": { "id": "nafcilline-monobenzone similarity", "source_label": "nafcilline", "target_label": "monobenzone", "cosine_similarity": 0.1697181612253189 } }, { "source": "CID:6918493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4976", "properties": { "id": "ambrisentan-protriptyline similarity", "source_label": "ambrisentan", "target_label": "protriptyline", "cosine_similarity": 0.4216957092285156 } }, { "source": "CID:3387354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46220502", "properties": { "id": "SB-218078-LY-2835219 similarity", "source_label": "SB-218078", "target_label": "LY-2835219", "cosine_similarity": 0.5088075399398804 } }, { "source": "CID:4032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "mecamylamine-lacosamide similarity", "source_label": "mecamylamine", "target_label": "lacosamide", "cosine_similarity": 0.4068550169467926 } }, { "source": "CID:6041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "phenylephrine-sodium-gualenate similarity", "source_label": "phenylephrine", "target_label": "sodium-gualenate", "cosine_similarity": 0.4005323350429535 } }, { "source": "CID:1505784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "SJB-AF-2-ponatinib similarity", "source_label": "SJB-AF-2", "target_label": "ponatinib", "cosine_similarity": 0.2280423641204834 } }, { "source": "CID:44490224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-101841-SA-1460008 similarity", "source_label": "SA-101841", "target_label": "SA-1460008", "cosine_similarity": 0.3247228264808655 } }, { "source": "CID:66265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "dexfenfluramine-fluvoxamine similarity", "source_label": "dexfenfluramine", "target_label": "fluvoxamine", "cosine_similarity": 0.4360608458518982 } }, { "source": "CID:16220172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "ivacaftor-methimazole similarity", "source_label": "ivacaftor", "target_label": "methimazole", "cosine_similarity": 0.4311535954475403 } }, { "source": "CID:44490257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-102607-SA-1457188 similarity", "source_label": "SA-102607", "target_label": "SA-1457188", "cosine_similarity": 0.2667115926742553 } }, { "source": "CID:197810", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "chelidonine-nocodazole similarity", "source_label": "chelidonine", "target_label": "nocodazole", "cosine_similarity": 0.8431870937347412 } }, { "source": "CID:134551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "ergocryptine-BMS-191011 similarity", "source_label": "ergocryptine", "target_label": "BMS-191011", "cosine_similarity": 0.2529389858245849 } }, { "source": "CID:54660111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1459481-SA-84905 similarity", "source_label": "SA-1459481", "target_label": "SA-84905", "cosine_similarity": 0.3079645335674286 } }, { "source": "CID:2732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4539", "properties": { "id": "chlortalidone-norfloxacin similarity", "source_label": "chlortalidone", "target_label": "norfloxacin", "cosine_similarity": 0.4019469618797302 } }, { "source": "CID:4910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "proadifen-DAC-004 similarity", "source_label": "proadifen", "target_label": "DAC-004", "cosine_similarity": 0.2894590198993683 } }, { "source": "CID:5505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54675769", "properties": { "id": "tolbutamide-novobiocin similarity", "source_label": "tolbutamide", "target_label": "novobiocin", "cosine_similarity": 0.3659126162528991 } }, { "source": "CID:941650", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9592990", "properties": { "id": "thiothixene-BAS-00535043 similarity", "source_label": "thiothixene", "target_label": "BAS-00535043", "cosine_similarity": 0.4729683399200439 } }, { "source": "CID:23725625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16007391", "properties": { "id": "olaparib-barasertib-HQPA similarity", "source_label": "olaparib", "target_label": "barasertib-HQPA", "cosine_similarity": 0.3792263567447662 } }, { "source": "CID:5702124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "tranylcypromine-SB-239063 similarity", "source_label": "tranylcypromine", "target_label": "SB-239063", "cosine_similarity": 0.3930599391460418 } }, { "source": "CID:442894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2353", "properties": { "id": "desoxypeganine-berberine similarity", "source_label": "desoxypeganine", "target_label": "berberine", "cosine_similarity": 0.4353170692920685 } }, { "source": "CID:119828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60606", "properties": { "id": "parecoxib-clopidogrel similarity", "source_label": "parecoxib", "target_label": "clopidogrel", "cosine_similarity": 0.3747494220733642 } }, { "source": "CID:13738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "oxolamine-hydroxyamphetamine similarity", "source_label": "oxolamine", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.2699747681617737 } }, { "source": "CID:7079134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444254", "properties": { "id": "JAS07-001-acarbose similarity", "source_label": "JAS07-001", "target_label": "acarbose", "cosine_similarity": 0.2344906032085418 } }, { "source": "CID:442912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22416236", "properties": { "id": "hydroquinidine-KU-C103655 similarity", "source_label": "hydroquinidine", "target_label": "KU-C103655", "cosine_similarity": 0.2242981642484665 } }, { "source": "CID:91270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "moexipril-AICA-ribonucleotide similarity", "source_label": "moexipril", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2328596711158752 } }, { "source": "CID:126688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "amthamine-UNC-0321 similarity", "source_label": "amthamine", "target_label": "UNC-0321", "cosine_similarity": 0.3291435539722442 } }, { "source": "CID:62959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "trovafloxacin-estramustine-phosphate similarity", "source_label": "trovafloxacin", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4345336854457855 } }, { "source": "CID:73707390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "ON-01910-vinblastine similarity", "source_label": "ON-01910", "target_label": "vinblastine", "cosine_similarity": 0.596860945224762 } }, { "source": "CID:4659569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "tolcapone-levofloxacin similarity", "source_label": "tolcapone", "target_label": "levofloxacin", "cosine_similarity": 0.4647298157215118 } }, { "source": "CID:17753743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11556711", "properties": { "id": "oprozomib-carfilzomib similarity", "source_label": "oprozomib", "target_label": "carfilzomib", "cosine_similarity": 0.6355050802230835 } }, { "source": "CID:83969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:244", "properties": { "id": "albendazole-oxide-benzyl-alcohol similarity", "source_label": "albendazole-oxide", "target_label": "benzyl-alcohol", "cosine_similarity": 0.1536324024200439 } }, { "source": "CID:24748573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44551660", "properties": { "id": "CX-4945-CP-466722 similarity", "source_label": "CX-4945", "target_label": "CP-466722", "cosine_similarity": 0.4289759993553161 } }, { "source": "CID:22152353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "ORG-9768-nafamostat similarity", "source_label": "ORG-9768", "target_label": "nafamostat", "cosine_similarity": 0.4547906219959259 } }, { "source": "CID:641266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "anabasine-zebularine similarity", "source_label": "anabasine", "target_label": "zebularine", "cosine_similarity": 0.2682953774929046 } }, { "source": "CID:11548630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "Ro-4987655-TAK-733 similarity", "source_label": "Ro-4987655", "target_label": "TAK-733", "cosine_similarity": 0.8838962912559509 } }, { "source": "CID:11450633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "alogliptin-T-0156 similarity", "source_label": "alogliptin", "target_label": "T-0156", "cosine_similarity": 0.3709004819393158 } }, { "source": "CID:4237309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6603931", "properties": { "id": "L-701252-MRS-1754 similarity", "source_label": "L-701252", "target_label": "MRS-1754", "cosine_similarity": 0.2192464619874954 } }, { "source": "CID:22228376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "GW-441756-cyclosporin-a similarity", "source_label": "GW-441756", "target_label": "cyclosporin-a", "cosine_similarity": 0.3078155517578125 } }, { "source": "CID:688798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "ST-059620-myricetin similarity", "source_label": "ST-059620", "target_label": "myricetin", "cosine_similarity": 0.5131238102912903 } }, { "source": "CID:3925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3162043", "properties": { "id": "QX-314-MW-STK33-1B similarity", "source_label": "QX-314", "target_label": "MW-STK33-1B", "cosine_similarity": 0.2569791376590729 } }, { "source": "CID:766949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918736", "properties": { "id": "JNK-IN-5A-rigosertib similarity", "source_label": "JNK-IN-5A", "target_label": "rigosertib", "cosine_similarity": 0.8301892280578613 } }, { "source": "CID:5281565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "kawain-FTI-276 similarity", "source_label": "kawain", "target_label": "FTI-276", "cosine_similarity": 0.2665998339653015 } }, { "source": "CID:182585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2063", "properties": { "id": "MDL-72832-tyrphostin-1 similarity", "source_label": "MDL-72832", "target_label": "tyrphostin-1", "cosine_similarity": 0.2087123841047287 } }, { "source": "CID:5430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "tiabendazole-lenalidomide similarity", "source_label": "tiabendazole", "target_label": "lenalidomide", "cosine_similarity": 0.3734374344348907 } }, { "source": "CID:4886", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658969", "properties": { "id": "pramocaine-SA-1457797 similarity", "source_label": "pramocaine", "target_label": "SA-1457797", "cosine_similarity": 0.3085343539714813 } }, { "source": "CID:49848070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "taladegib-PYM-50028 similarity", "source_label": "taladegib", "target_label": "PYM-50028", "cosine_similarity": 0.4180805683135986 } }, { "source": "CID:44488194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657732", "properties": { "id": "SA-426029-SA-1458985 similarity", "source_label": "SA-426029", "target_label": "SA-1458985", "cosine_similarity": 0.3867851793766022 } }, { "source": "CID:16126898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5029", "properties": { "id": "VTP-27999-rabeprazole similarity", "source_label": "VTP-27999", "target_label": "rabeprazole", "cosine_similarity": 0.3847774267196655 } }, { "source": "CID:632854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "ST-012030-gliclazide similarity", "source_label": "ST-012030", "target_label": "gliclazide", "cosine_similarity": 0.3184311389923095 } }, { "source": "CID:445621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10311918", "properties": { "id": "glucosamine-CTPB similarity", "source_label": "glucosamine", "target_label": "CTPB", "cosine_similarity": 0.2500528395175934 } }, { "source": "CID:224246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702106", "properties": { "id": "isoflupredone-acetate-prednisolone similarity", "source_label": "isoflupredone-acetate", "target_label": "prednisolone", "cosine_similarity": 0.3680937588214874 } }, { "source": "CID:11654378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "KIN001-269-VX-745 similarity", "source_label": "KIN001-269", "target_label": "VX-745", "cosine_similarity": 0.5189615488052368 } }, { "source": "CID:5353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "sulmazole-pentoxifylline similarity", "source_label": "sulmazole", "target_label": "pentoxifylline", "cosine_similarity": 0.3441571593284607 } }, { "source": "CID:49835877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "BJM-AF-64-FTI-276 similarity", "source_label": "BJM-AF-64", "target_label": "FTI-276", "cosine_similarity": 0.2388497740030288 } }, { "source": "CID:121891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "mitiglinide-ABT-202 similarity", "source_label": "mitiglinide", "target_label": "ABT-202", "cosine_similarity": 0.3946645259857178 } }, { "source": "CID:24868316", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5780", "properties": { "id": "WAY-213613-mannitol-D similarity", "source_label": "WAY-213613", "target_label": "mannitol-D", "cosine_similarity": 0.2047963440418243 } }, { "source": "CID:5078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4495", "properties": { "id": "rizatriptan-nimesulide similarity", "source_label": "rizatriptan", "target_label": "nimesulide", "cosine_similarity": 0.3787005841732025 } }, { "source": "CID:5291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "imatinib-masitinib similarity", "source_label": "imatinib", "target_label": "masitinib", "cosine_similarity": 0.5146914720535278 } }, { "source": "CID:3538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "GYKI-52466-thalidomide similarity", "source_label": "GYKI-52466", "target_label": "thalidomide", "cosine_similarity": 0.2716162204742431 } }, { "source": "CID:4463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "nevirapine-pritelivir similarity", "source_label": "nevirapine", "target_label": "pritelivir", "cosine_similarity": 0.4450773298740387 } }, { "source": "CID:16720766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "MLN-4924-NSC-3852 similarity", "source_label": "MLN-4924", "target_label": "NSC-3852", "cosine_similarity": 0.4321270883083343 } }, { "source": "CID:25257557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "CX-5461-nutlin-3 similarity", "source_label": "CX-5461", "target_label": "nutlin-3", "cosine_similarity": 0.4750047922134399 } }, { "source": "CID:44623840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "KU-C104227-KU-C104486 similarity", "source_label": "KU-C104227", "target_label": "KU-C104486", "cosine_similarity": 0.3703324496746063 } }, { "source": "CID:11154555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "cariprazine-enzalutamide similarity", "source_label": "cariprazine", "target_label": "enzalutamide", "cosine_similarity": 0.3428278267383575 } }, { "source": "CID:1257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4631", "properties": { "id": "quinpirole-oxprenolol similarity", "source_label": "quinpirole", "target_label": "oxprenolol", "cosine_similarity": 0.2337833940982818 } }, { "source": "CID:444008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "tibolone-dorzolamide similarity", "source_label": "tibolone", "target_label": "dorzolamide", "cosine_similarity": 0.4771846830844879 } }, { "source": "CID:46742339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "VU-0418933-1-VU-0418946-1 similarity", "source_label": "VU-0418933-1", "target_label": "VU-0418946-1", "cosine_similarity": 0.8490207195281982 } }, { "source": "CID:2950007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "ML-141-BNTX similarity", "source_label": "ML-141", "target_label": "BNTX", "cosine_similarity": 0.1817756742238998 } }, { "source": "CID:10322450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "KO-143-neratinib similarity", "source_label": "KO-143", "target_label": "neratinib", "cosine_similarity": 0.6017875671386719 } }, { "source": "CID:72703790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "EGF-816-STA-5326 similarity", "source_label": "EGF-816", "target_label": "STA-5326", "cosine_similarity": 0.4298174083232879 } }, { "source": "CID:20635522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24964624", "properties": { "id": "KIN001-127-MK-2206 similarity", "source_label": "KIN001-127", "target_label": "MK-2206", "cosine_similarity": 0.4833612442016601 } }, { "source": "CID:44602374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "KU-C104122-UB-165 similarity", "source_label": "KU-C104122", "target_label": "UB-165", "cosine_similarity": 0.2681789994239807 } }, { "source": "CID:44484225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667404", "properties": { "id": "SA-90030-SA-1919877 similarity", "source_label": "SA-90030", "target_label": "SA-1919877", "cosine_similarity": 0.3643668293952942 } }, { "source": "CID:21071390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2275", "properties": { "id": "idalopirdine-sodium-gualenate similarity", "source_label": "idalopirdine", "target_label": "sodium-gualenate", "cosine_similarity": 0.3036632239818573 } }, { "source": "CID:10109069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "NS-3694-rhapontin similarity", "source_label": "NS-3694", "target_label": "rhapontin", "cosine_similarity": 0.2568729221820831 } }, { "source": "CID:7314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "maltobionic-acid-orciprenaline similarity", "source_label": "maltobionic-acid", "target_label": "orciprenaline", "cosine_similarity": 0.2218150347471237 } }, { "source": "CID:88129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747194", "properties": { "id": "valproxam-PSH-028 similarity", "source_label": "valproxam", "target_label": "PSH-028", "cosine_similarity": 0.2324668318033218 } }, { "source": "CID:667550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "dexketoprofen-cyclosporin-a similarity", "source_label": "dexketoprofen", "target_label": "cyclosporin-a", "cosine_similarity": 0.3378959596157074 } }, { "source": "CID:44483265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "solanine-ML-161 similarity", "source_label": "solanine", "target_label": "ML-161", "cosine_similarity": 0.2935503721237182 } }, { "source": "CID:11485656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "linifanib-GW-5074 similarity", "source_label": "linifanib", "target_label": "GW-5074", "cosine_similarity": 0.4423549175262451 } }, { "source": "CID:54666591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:55283", "properties": { "id": "SA-1922932-itraconazole similarity", "source_label": "SA-1922932", "target_label": "itraconazole", "cosine_similarity": 0.2692174911499023 } }, { "source": "CID:123831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64971", "properties": { "id": "asymmetrical-dimethylarginine-betulinic-acid similarity", "source_label": "asymmetrical-dimethylarginine", "target_label": "betulinic-acid", "cosine_similarity": 0.3104262948036194 } }, { "source": "CID:5910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "pilocarpine-valsartan similarity", "source_label": "pilocarpine", "target_label": "valsartan", "cosine_similarity": 0.3828339278697967 } }, { "source": "CID:5056826", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "F-1566-0341-EMF-bca1-16 similarity", "source_label": "F-1566-0341", "target_label": "EMF-bca1-16", "cosine_similarity": 0.7535773515701294 } }, { "source": "CID:139032007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "avermectin-bithionol similarity", "source_label": "avermectin", "target_label": "bithionol", "cosine_similarity": 0.4804279208183288 } }, { "source": "CID:3718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "indoprofen-cholic-acid similarity", "source_label": "indoprofen", "target_label": "cholic-acid", "cosine_similarity": 0.3581187427043915 } }, { "source": "CID:16759160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "AZ-10417808-RG-108 similarity", "source_label": "AZ-10417808", "target_label": "RG-108", "cosine_similarity": 0.2380141168832779 } }, { "source": "CID:3678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71158", "properties": { "id": "alverine-acamprosate similarity", "source_label": "alverine", "target_label": "acamprosate", "cosine_similarity": 0.2290756851434707 } }, { "source": "CID:11226090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "taranabant-flutamide similarity", "source_label": "taranabant", "target_label": "flutamide", "cosine_similarity": 0.5226063132286072 } }, { "source": "CID:1261822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4429", "properties": { "id": "ML-193-naltriben similarity", "source_label": "ML-193", "target_label": "naltriben", "cosine_similarity": 0.2670518159866333 } }, { "source": "CID:24965990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "suvorexant-sofalcone similarity", "source_label": "suvorexant", "target_label": "sofalcone", "cosine_similarity": 0.3642013072967529 } }, { "source": "CID:1797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "5-nonyloxytryptamine-terfenadine similarity", "source_label": "5-nonyloxytryptamine", "target_label": "terfenadine", "cosine_similarity": 0.6304413676261902 } }, { "source": "CID:65599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "lomifylline-JAS07-006 similarity", "source_label": "lomifylline", "target_label": "JAS07-006", "cosine_similarity": 0.337172120809555 } }, { "source": "CID:3025986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "BMS-387032-PIK-75 similarity", "source_label": "BMS-387032", "target_label": "PIK-75", "cosine_similarity": 0.8119040131568909 } }, { "source": "CID:46931012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "BIX-02189-gefitinib similarity", "source_label": "BIX-02189", "target_label": "gefitinib", "cosine_similarity": 0.3205079734325409 } }, { "source": "CID:2200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5340", "properties": { "id": "antazoline-sulfathiazole similarity", "source_label": "antazoline", "target_label": "sulfathiazole", "cosine_similarity": 0.213562786579132 } }, { "source": "CID:9651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5436", "properties": { "id": "galantamine-thiamylal similarity", "source_label": "galantamine", "target_label": "thiamylal", "cosine_similarity": 0.2749853134155273 } }, { "source": "CID:36462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "etoposide-amsacrine similarity", "source_label": "etoposide", "target_label": "amsacrine", "cosine_similarity": 0.7315424680709839 } }, { "source": "CID:49766518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49766530", "properties": { "id": "TL-HRAS-24-TL-HRAS-61 similarity", "source_label": "TL-HRAS-24", "target_label": "TL-HRAS-61", "cosine_similarity": 0.4040144681930542 } }, { "source": "CID:11595431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "GW-9508-7-nitroindazole similarity", "source_label": "GW-9508", "target_label": "7-nitroindazole", "cosine_similarity": 0.3564515113830566 } }, { "source": "CID:42574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "closantel-aliskiren similarity", "source_label": "closantel", "target_label": "aliskiren", "cosine_similarity": 0.2905611991882324 } }, { "source": "CID:2155128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "IWP-2-myriocin similarity", "source_label": "IWP-2", "target_label": "myriocin", "cosine_similarity": 0.4154296219348907 } }, { "source": "CID:5702055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "flumethasone-pivalate-3-CPMT similarity", "source_label": "flumethasone-pivalate", "target_label": "3-CPMT", "cosine_similarity": 0.5998029708862305 } }, { "source": "CID:9909648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "PNU-96415E-Gossypetin similarity", "source_label": "PNU-96415E", "target_label": "Gossypetin", "cosine_similarity": 0.2352756857872009 } }, { "source": "CID:4768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "phenoxybenzamine-KU-C104337 similarity", "source_label": "phenoxybenzamine", "target_label": "KU-C104337", "cosine_similarity": 0.2732860147953033 } }, { "source": "CID:44602405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640175", "properties": { "id": "KU-C104132-KU-C104487 similarity", "source_label": "KU-C104132", "target_label": "KU-C104487", "cosine_similarity": 0.2043162882328033 } }, { "source": "CID:444254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "acarbose-adenosine similarity", "source_label": "acarbose", "target_label": "adenosine", "cosine_similarity": 0.3822307884693146 } }, { "source": "CID:11224409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9910486", "properties": { "id": "radezolid-SB-705498 similarity", "source_label": "radezolid", "target_label": "SB-705498", "cosine_similarity": 0.3029027879238128 } }, { "source": "CID:44483247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:464205", "properties": { "id": "prednicarbate-tenofovir similarity", "source_label": "prednicarbate", "target_label": "tenofovir", "cosine_similarity": 0.307610422372818 } }, { "source": "CID:1554210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160254", "properties": { "id": "CFTRinh-172-cryptotanshinone similarity", "source_label": "CFTRinh-172", "target_label": "cryptotanshinone", "cosine_similarity": 0.1771226227283477 } }, { "source": "CID:3440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "furosemide-lorcaserin similarity", "source_label": "furosemide", "target_label": "lorcaserin", "cosine_similarity": 0.4432500302791595 } }, { "source": "CID:9543513", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "APO-866-fumonisin-b1 similarity", "source_label": "APO-866", "target_label": "fumonisin-b1", "cosine_similarity": 0.5603047013282776 } }, { "source": "CID:2160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "amitriptyline-sertraline similarity", "source_label": "amitriptyline", "target_label": "sertraline", "cosine_similarity": 0.6300264596939087 } }, { "source": "CID:2833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "colchicine-KX-2391 similarity", "source_label": "colchicine", "target_label": "KX-2391", "cosine_similarity": 0.8457421064376831 } }, { "source": "CID:3314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "eugenol-valsartan similarity", "source_label": "eugenol", "target_label": "valsartan", "cosine_similarity": 0.3601962327957153 } }, { "source": "CID:133008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53232", "properties": { "id": "L-741742-lovastatin similarity", "source_label": "L-741742", "target_label": "lovastatin", "cosine_similarity": 0.2807509005069732 } }, { "source": "CID:40634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483957", "properties": { "id": "trolox-SA-424936 similarity", "source_label": "trolox", "target_label": "SA-424936", "cosine_similarity": 0.2054616063833236 } }, { "source": "CID:129010025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "azithromycin-apocynin similarity", "source_label": "azithromycin", "target_label": "apocynin", "cosine_similarity": 0.4017128944396972 } }, { "source": "CID:54658765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487597", "properties": { "id": "SA-1459849-SA-440832 similarity", "source_label": "SA-1459849", "target_label": "SA-440832", "cosine_similarity": 0.3581982254981994 } }, { "source": "CID:44456237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2286", "properties": { "id": "SID-26681509-BADGE similarity", "source_label": "SID-26681509", "target_label": "BADGE", "cosine_similarity": 0.4133820235729217 } }, { "source": "CID:44483291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "medrysone-methylprednisolone similarity", "source_label": "medrysone", "target_label": "methylprednisolone", "cosine_similarity": 0.5255911946296692 } }, { "source": "CID:54660187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-1455822-SA-1463838 similarity", "source_label": "SA-1455822", "target_label": "SA-1463838", "cosine_similarity": 0.3191583156585693 } }, { "source": "CID:5498067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "esculin-vinburnine similarity", "source_label": "esculin", "target_label": "vinburnine", "cosine_similarity": 0.3002748489379883 } }, { "source": "CID:4893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:152946", "properties": { "id": "prazosin-moxifloxacin similarity", "source_label": "prazosin", "target_label": "moxifloxacin", "cosine_similarity": 0.2584197521209717 } }, { "source": "CID:11618368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "tozadenant-PJ-34 similarity", "source_label": "tozadenant", "target_label": "PJ-34", "cosine_similarity": 0.2502709031105041 } }, { "source": "CID:3182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "dyphylline-SA-427543 similarity", "source_label": "dyphylline", "target_label": "SA-427543", "cosine_similarity": 0.2454373389482498 } }, { "source": "CID:44489338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488194", "properties": { "id": "SA-424828-SA-426029 similarity", "source_label": "SA-424828", "target_label": "SA-426029", "cosine_similarity": 0.273806631565094 } }, { "source": "CID:216284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "zeranol-vinorelbine similarity", "source_label": "zeranol", "target_label": "vinorelbine", "cosine_similarity": 0.2025743126869201 } }, { "source": "CID:2720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3494", "properties": { "id": "chlorothiazide-glycopyrrolate similarity", "source_label": "chlorothiazide", "target_label": "glycopyrrolate", "cosine_similarity": 0.163919910788536 } }, { "source": "CID:11167602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "regorafenib-pelitinib similarity", "source_label": "regorafenib", "target_label": "pelitinib", "cosine_similarity": 0.4697567224502563 } }, { "source": "CID:14987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6697", "properties": { "id": "lysergol-benzanthrone similarity", "source_label": "lysergol", "target_label": "benzanthrone", "cosine_similarity": 0.2251085638999939 } }, { "source": "CID:2310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "bemegride-alaproclate similarity", "source_label": "bemegride", "target_label": "alaproclate", "cosine_similarity": 0.5098108649253845 } }, { "source": "CID:27559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "PNU-22394-TUL-XX025TFA similarity", "source_label": "PNU-22394", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.299072653055191 } }, { "source": "CID:4302964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "KU-14R-FTI-276 similarity", "source_label": "KU-14R", "target_label": "FTI-276", "cosine_similarity": 0.2924292087554931 } }, { "source": "CID:2118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "alprazolam-XMD-1150 similarity", "source_label": "alprazolam", "target_label": "XMD-1150", "cosine_similarity": 0.3531642258167267 } }, { "source": "CID:1348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16220051", "properties": { "id": "MY-5445-tunicamycin similarity", "source_label": "MY-5445", "target_label": "tunicamycin", "cosine_similarity": 0.2775829136371612 } }, { "source": "CID:73707436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "YL-52-triprolidine similarity", "source_label": "YL-52", "target_label": "triprolidine", "cosine_similarity": 0.2221162319183349 } }, { "source": "CID:23725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "psoromic-acid-dalcetrapib similarity", "source_label": "psoromic-acid", "target_label": "dalcetrapib", "cosine_similarity": 0.2360616624355316 } }, { "source": "CID:71015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10401611", "properties": { "id": "n-methylphenothiazine-MC-1293 similarity", "source_label": "n-methylphenothiazine", "target_label": "MC-1293", "cosine_similarity": 0.1870827674865722 } }, { "source": "CID:3941250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "nitrocaramiphen-fillalbin similarity", "source_label": "nitrocaramiphen", "target_label": "fillalbin", "cosine_similarity": 0.3234062194824219 } }, { "source": "CID:5497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "nikethamide-actarit similarity", "source_label": "nikethamide", "target_label": "actarit", "cosine_similarity": 0.4094566404819488 } }, { "source": "CID:99253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "SAL-1-DAC-012 similarity", "source_label": "SAL-1", "target_label": "DAC-012", "cosine_similarity": 0.3907626867294311 } }, { "source": "CID:5566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "trifluoperazine-CCT-031374 similarity", "source_label": "trifluoperazine", "target_label": "CCT-031374", "cosine_similarity": 0.7382377982139587 } }, { "source": "CID:790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57519544", "properties": { "id": "hypoxanthine-wnt-c59 similarity", "source_label": "hypoxanthine", "target_label": "wnt-c59", "cosine_similarity": 0.4396713674068451 } }, { "source": "CID:5918561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2564", "properties": { "id": "ST-024029-carbinoxamine similarity", "source_label": "ST-024029", "target_label": "carbinoxamine", "cosine_similarity": 0.2682448625564575 } }, { "source": "CID:66490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1102", "properties": { "id": "NCI-16221-spermidine similarity", "source_label": "NCI-16221", "target_label": "spermidine", "cosine_similarity": 0.2436440587043762 } }, { "source": "CID:54658117", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669029", "properties": { "id": "SA-1457810-SA-1921574 similarity", "source_label": "SA-1457810", "target_label": "SA-1921574", "cosine_similarity": 0.3159520924091339 } }, { "source": "CID:68844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "brinzolamide-MW-MITF9 similarity", "source_label": "brinzolamide", "target_label": "MW-MITF9", "cosine_similarity": 0.2769253849983215 } }, { "source": "CID:91654625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "BAZ2-ICR-pirfenidone similarity", "source_label": "BAZ2-ICR", "target_label": "pirfenidone", "cosine_similarity": 0.2830953001976013 } }, { "source": "CID:54658215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660558", "properties": { "id": "SA-1457103-SA-1456625 similarity", "source_label": "SA-1457103", "target_label": "SA-1456625", "cosine_similarity": 0.3028102219104767 } }, { "source": "CID:93504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "levcromakalim-tiapride similarity", "source_label": "levcromakalim", "target_label": "tiapride", "cosine_similarity": 0.2611154317855835 } }, { "source": "CID:5244802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "BRL-52537-Gly-Gly-PALO similarity", "source_label": "BRL-52537", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2845517098903656 } }, { "source": "CID:6009", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "amidopyrine-metacetamol similarity", "source_label": "amidopyrine", "target_label": "metacetamol", "cosine_similarity": 0.5290606617927551 } }, { "source": "CID:22416251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003695", "properties": { "id": "KU-C103882-CVF-SUMO-7 similarity", "source_label": "KU-C103882", "target_label": "CVF-SUMO-7", "cosine_similarity": 0.2768618464469909 } }, { "source": "CID:73707411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "treprostinil-AC-55649 similarity", "source_label": "treprostinil", "target_label": "AC-55649", "cosine_similarity": 0.2560163736343384 } }, { "source": "CID:6758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "rotenone-parbendazole similarity", "source_label": "rotenone", "target_label": "parbendazole", "cosine_similarity": 0.5425817966461182 } }, { "source": "CID:26596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "parbendazole-chelidonine similarity", "source_label": "parbendazole", "target_label": "chelidonine", "cosine_similarity": 0.8716264963150024 } }, { "source": "CID:6253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "cytarabine-gemcitabine similarity", "source_label": "cytarabine", "target_label": "gemcitabine", "cosine_similarity": 0.6587764024734497 } }, { "source": "CID:4977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "proxyphylline-IDRA-21 similarity", "source_label": "proxyphylline", "target_label": "IDRA-21", "cosine_similarity": 0.490292489528656 } }, { "source": "CID:1894361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "AMN-082-SA-89763 similarity", "source_label": "AMN-082", "target_label": "SA-89763", "cosine_similarity": 0.210834801197052 } }, { "source": "CID:13927312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "KU-C103443N-lasalocid similarity", "source_label": "KU-C103443N", "target_label": "lasalocid", "cosine_similarity": 0.3132361173629761 } }, { "source": "CID:15459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "metaxalone-APO-866 similarity", "source_label": "metaxalone", "target_label": "APO-866", "cosine_similarity": 0.2422017604112625 } }, { "source": "CID:459617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10429242", "properties": { "id": "IOX-1-CAY-10415 similarity", "source_label": "IOX-1", "target_label": "CAY-10415", "cosine_similarity": 0.2281696200370788 } }, { "source": "CID:6613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "pantothenic-acid-macitentan similarity", "source_label": "pantothenic-acid", "target_label": "macitentan", "cosine_similarity": 0.1687751859426498 } }, { "source": "CID:5504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "tolazoline-enzalutamide similarity", "source_label": "tolazoline", "target_label": "enzalutamide", "cosine_similarity": 0.2418342232704162 } }, { "source": "CID:4216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2995", "properties": { "id": "ML-7-desipramine similarity", "source_label": "ML-7", "target_label": "desipramine", "cosine_similarity": 0.3328327238559723 } }, { "source": "CID:2746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "tacedinaline-mocetinostat similarity", "source_label": "tacedinaline", "target_label": "mocetinostat", "cosine_similarity": 0.8460110425949097 } }, { "source": "CID:5240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "iodoacetic-acid-CVF-SUMO-14 similarity", "source_label": "iodoacetic-acid", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.609824001789093 } }, { "source": "CID:44500308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-243193-FTI-276 similarity", "source_label": "SA-243193", "target_label": "FTI-276", "cosine_similarity": 0.2606273293495178 } }, { "source": "CID:73453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2564", "properties": { "id": "ergocornine-carbinoxamine similarity", "source_label": "ergocornine", "target_label": "carbinoxamine", "cosine_similarity": 0.2344630658626556 } }, { "source": "CID:1983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "paracetamol-efavirenz similarity", "source_label": "paracetamol", "target_label": "efavirenz", "cosine_similarity": 0.4184716045856476 } }, { "source": "CID:6918852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "R-547-palbociclib similarity", "source_label": "R-547", "target_label": "palbociclib", "cosine_similarity": 0.7539626359939575 } }, { "source": "CID:440936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "arbutin-aminoglutethimide similarity", "source_label": "arbutin", "target_label": "aminoglutethimide", "cosine_similarity": 0.4363734722137451 } }, { "source": "CID:5327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "sulfadimidine-lorcaserin similarity", "source_label": "sulfadimidine", "target_label": "lorcaserin", "cosine_similarity": 0.2759303152561188 } }, { "source": "CID:20299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65492", "properties": { "id": "tridihexethyl-iopamidol similarity", "source_label": "tridihexethyl", "target_label": "iopamidol", "cosine_similarity": 0.2899482250213623 } }, { "source": "CID:44484239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500308", "properties": { "id": "SA-90153-SA-243193 similarity", "source_label": "SA-90153", "target_label": "SA-243193", "cosine_similarity": 0.2637182176113128 } }, { "source": "CID:46700756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856436", "properties": { "id": "LY-2606368-MK-1775 similarity", "source_label": "LY-2606368", "target_label": "MK-1775", "cosine_similarity": 0.5325090885162354 } }, { "source": "CID:95801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "BTS-proxyphylline similarity", "source_label": "BTS", "target_label": "proxyphylline", "cosine_similarity": 0.4157149493694305 } }, { "source": "CID:5383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659840", "properties": { "id": "tebuthiuron-vesamicol similarity", "source_label": "tebuthiuron", "target_label": "vesamicol", "cosine_similarity": 0.3356747925281524 } }, { "source": "CID:5482874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "rifabutin-acifran similarity", "source_label": "rifabutin", "target_label": "acifran", "cosine_similarity": 0.5646006464958191 } }, { "source": "CID:5362129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4497", "properties": { "id": "ramipril-nimodipine similarity", "source_label": "ramipril", "target_label": "nimodipine", "cosine_similarity": 0.2563538551330566 } }, { "source": "CID:25109985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "SJB-shh-31-ST-059620 similarity", "source_label": "SJB-shh-31", "target_label": "ST-059620", "cosine_similarity": 0.2641781568527221 } }, { "source": "CID:46742353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "VU-0418946-1-VU-0418939-2 similarity", "source_label": "VU-0418946-1", "target_label": "VU-0418939-2", "cosine_similarity": 0.8989071249961853 } }, { "source": "CID:4848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "pirenzepine-CO-102862 similarity", "source_label": "pirenzepine", "target_label": "CO-102862", "cosine_similarity": 0.2361612319946289 } }, { "source": "CID:51003685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "CVF-SUMO-14-K784-3188 similarity", "source_label": "CVF-SUMO-14", "target_label": "K784-3188", "cosine_similarity": 0.7158045768737793 } }, { "source": "CID:568416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "droxinostat-dacinostat similarity", "source_label": "droxinostat", "target_label": "dacinostat", "cosine_similarity": 0.6064262986183167 } }, { "source": "CID:44483247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "prednicarbate-herniarin similarity", "source_label": "prednicarbate", "target_label": "herniarin", "cosine_similarity": 0.3088785409927368 } }, { "source": "CID:4780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2141", "properties": { "id": "1-phenylbiguanide-amifostine similarity", "source_label": "1-phenylbiguanide", "target_label": "amifostine", "cosine_similarity": 0.2510558664798736 } }, { "source": "CID:44494477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-243913-SA-1459173 similarity", "source_label": "SA-243913", "target_label": "SA-1459173", "cosine_similarity": 0.3286615014076233 } }, { "source": "CID:9893887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11784736", "properties": { "id": "L-368899-Y-134 similarity", "source_label": "L-368899", "target_label": "Y-134", "cosine_similarity": 0.3010440468788147 } }, { "source": "CID:24747180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44508028", "properties": { "id": "JAS07-010-SA-247582 similarity", "source_label": "JAS07-010", "target_label": "SA-247582", "cosine_similarity": 0.2250387519598007 } }, { "source": "CID:49849912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "CAM-9-027-3-T-98475 similarity", "source_label": "CAM-9-027-3", "target_label": "T-98475", "cosine_similarity": 0.6403160691261292 } }, { "source": "CID:134044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "labetalol-alizapride similarity", "source_label": "labetalol", "target_label": "alizapride", "cosine_similarity": 0.4446669220924377 } }, { "source": "CID:446156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:126280", "properties": { "id": "cerivastatin-indatraline similarity", "source_label": "cerivastatin", "target_label": "indatraline", "cosine_similarity": 0.4377413392066955 } }, { "source": "CID:6477762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "NSC-632839-cerulenin similarity", "source_label": "NSC-632839", "target_label": "cerulenin", "cosine_similarity": 0.8005845546722412 } }, { "source": "CID:5329006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "ZM-306416-AZD-6482 similarity", "source_label": "ZM-306416", "target_label": "AZD-6482", "cosine_similarity": 0.2717933058738708 } }, { "source": "CID:16741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "phenethyl-isothiocyanate-NSC-632839 similarity", "source_label": "phenethyl-isothiocyanate", "target_label": "NSC-632839", "cosine_similarity": 0.5767030119895935 } }, { "source": "CID:91522200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:210332", "properties": { "id": "benidipine-reversine similarity", "source_label": "benidipine", "target_label": "reversine", "cosine_similarity": 0.2343666851520538 } }, { "source": "CID:1092458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "DAC-013-Gossypetin similarity", "source_label": "DAC-013", "target_label": "Gossypetin", "cosine_similarity": 0.4044510126113891 } }, { "source": "CID:5280567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "hymecromone-mirtazapine similarity", "source_label": "hymecromone", "target_label": "mirtazapine", "cosine_similarity": 0.3171460330486297 } }, { "source": "CID:53315882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "UNC-0646-oxaprozin similarity", "source_label": "UNC-0646", "target_label": "oxaprozin", "cosine_similarity": 0.1466542333364486 } }, { "source": "CID:44490257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-102607-SA-1459714 similarity", "source_label": "SA-102607", "target_label": "SA-1459714", "cosine_similarity": 0.3861935138702392 } }, { "source": "CID:15376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "vincamine-apocynin similarity", "source_label": "vincamine", "target_label": "apocynin", "cosine_similarity": 0.3481954634189605 } }, { "source": "CID:6047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3590", "properties": { "id": "levodopa-heptaminol similarity", "source_label": "levodopa", "target_label": "heptaminol", "cosine_similarity": 0.2187615931034088 } }, { "source": "CID:129010068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "limonin-gossypin similarity", "source_label": "limonin", "target_label": "gossypin", "cosine_similarity": 0.2566801011562347 } }, { "source": "CID:10026128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3767", "properties": { "id": "WAY-362450-isoniazid similarity", "source_label": "WAY-362450", "target_label": "isoniazid", "cosine_similarity": 0.3003415465354919 } }, { "source": "CID:3505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "GR-89696-PTB1 similarity", "source_label": "GR-89696", "target_label": "PTB1", "cosine_similarity": 0.229624405503273 } }, { "source": "CID:44488194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660156", "properties": { "id": "SA-426029-SA-1459854 similarity", "source_label": "SA-426029", "target_label": "SA-1459854", "cosine_similarity": 0.4850567877292633 } }, { "source": "CID:4500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "nisoxetine-JAS07-006 similarity", "source_label": "nisoxetine", "target_label": "JAS07-006", "cosine_similarity": 0.3094600439071655 } }, { "source": "CID:51346455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771867", "properties": { "id": "PF-03814735-alisertib similarity", "source_label": "PF-03814735", "target_label": "alisertib", "cosine_similarity": 0.4394584000110626 } }, { "source": "CID:4701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60953", "properties": { "id": "PD-123319-capecitabine similarity", "source_label": "PD-123319", "target_label": "capecitabine", "cosine_similarity": 0.2888810038566589 } }, { "source": "CID:4284720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "BW-723C86-fluspirilene similarity", "source_label": "BW-723C86", "target_label": "fluspirilene", "cosine_similarity": 0.2623191475868225 } }, { "source": "CID:129010078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "triptolide-dactinomycin similarity", "source_label": "triptolide", "target_label": "dactinomycin", "cosine_similarity": 0.8401554822921753 } }, { "source": "CID:73214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65999", "properties": { "id": "eperezolid-telmisartan similarity", "source_label": "eperezolid", "target_label": "telmisartan", "cosine_similarity": 0.4300428926944732 } }, { "source": "CID:3853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:55652", "properties": { "id": "L-745870-spiradoline similarity", "source_label": "L-745870", "target_label": "spiradoline", "cosine_similarity": 0.2084161788225174 } }, { "source": "CID:54660558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-1456625-SA-1459173 similarity", "source_label": "SA-1456625", "target_label": "SA-1459173", "cosine_similarity": 0.346005231142044 } }, { "source": "CID:443879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446156", "properties": { "id": "tolterodine-cerivastatin similarity", "source_label": "tolterodine", "target_label": "cerivastatin", "cosine_similarity": 0.1514464914798736 } }, { "source": "CID:9911830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "tivozanib-gefitinib similarity", "source_label": "tivozanib", "target_label": "gefitinib", "cosine_similarity": 0.4270267188549042 } }, { "source": "CID:668081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "selinidin-XAV-939 similarity", "source_label": "selinidin", "target_label": "XAV-939", "cosine_similarity": 0.3490788340568542 } }, { "source": "CID:53340666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4996", "properties": { "id": "ACY-1215-pyroxamide similarity", "source_label": "ACY-1215", "target_label": "pyroxamide", "cosine_similarity": 0.6018815636634827 } }, { "source": "CID:3539719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "3-methyl-GABA-gliclazide similarity", "source_label": "3-methyl-GABA", "target_label": "gliclazide", "cosine_similarity": 0.2933323085308075 } }, { "source": "CID:5281087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "oxantel-DC-45-A2 similarity", "source_label": "oxantel", "target_label": "DC-45-A2", "cosine_similarity": 0.2768083810806274 } }, { "source": "CID:57339144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "UNC-1215-GSK-J1 similarity", "source_label": "UNC-1215", "target_label": "GSK-J1", "cosine_similarity": 0.5675016641616821 } }, { "source": "CID:16667713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "tilmicosin-nutlin-3 similarity", "source_label": "tilmicosin", "target_label": "nutlin-3", "cosine_similarity": 0.2258006930351257 } }, { "source": "CID:24069689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "mocimycin-cortisone similarity", "source_label": "mocimycin", "target_label": "cortisone", "cosine_similarity": 0.2754797041416168 } }, { "source": "CID:3280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216454", "properties": { "id": "ethaverine-L-778123 similarity", "source_label": "ethaverine", "target_label": "L-778123", "cosine_similarity": 0.2829652726650238 } }, { "source": "CID:2457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "BU-224-EX-527 similarity", "source_label": "BU-224", "target_label": "EX-527", "cosine_similarity": 0.2944048941135406 } }, { "source": "CID:15376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4449", "properties": { "id": "vincamine-nefazodone similarity", "source_label": "vincamine", "target_label": "nefazodone", "cosine_similarity": 0.4214175939559936 } }, { "source": "CID:6077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "acepromazine-DM-161 similarity", "source_label": "acepromazine", "target_label": "DM-161", "cosine_similarity": 0.262292206287384 } }, { "source": "CID:57363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11434515", "properties": { "id": "finasteride-aclidinium similarity", "source_label": "finasteride", "target_label": "aclidinium", "cosine_similarity": 0.4457492530345917 } }, { "source": "CID:121928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "amiprilose-CO-102862 similarity", "source_label": "amiprilose", "target_label": "CO-102862", "cosine_similarity": 0.275934487581253 } }, { "source": "CID:11615393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "telmesteine-methimazole similarity", "source_label": "telmesteine", "target_label": "methimazole", "cosine_similarity": 0.3701999485492706 } }, { "source": "CID:16102146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "O-2050-amikacin similarity", "source_label": "O-2050", "target_label": "amikacin", "cosine_similarity": 0.3972195982933044 } }, { "source": "CID:2953683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135412158", "properties": { "id": "MW-STK33-3B-OM-137 similarity", "source_label": "MW-STK33-3B", "target_label": "OM-137", "cosine_similarity": 0.187225267291069 } }, { "source": "CID:2744062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "SPB02303-VU-0418939-2 similarity", "source_label": "SPB02303", "target_label": "VU-0418939-2", "cosine_similarity": 0.5818403363227844 } }, { "source": "CID:4039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3762", "properties": { "id": "meclofenoxate-isoetharine similarity", "source_label": "meclofenoxate", "target_label": "isoetharine", "cosine_similarity": 0.2437649667263031 } }, { "source": "CID:50287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680406", "properties": { "id": "tiotidine-MW-SHH-61 similarity", "source_label": "tiotidine", "target_label": "MW-SHH-61", "cosine_similarity": 0.3441769182682037 } }, { "source": "CID:17142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5358", "properties": { "id": "teroxirone-sumatriptan similarity", "source_label": "teroxirone", "target_label": "sumatriptan", "cosine_similarity": 0.2752170264720917 } }, { "source": "CID:1126109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "JX-401-valproic-acid similarity", "source_label": "JX-401", "target_label": "valproic-acid", "cosine_similarity": 0.365892618894577 } }, { "source": "CID:11857239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "narlaprevir-orphenadrine similarity", "source_label": "narlaprevir", "target_label": "orphenadrine", "cosine_similarity": 0.3098274767398834 } }, { "source": "CID:76525291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330286", "properties": { "id": "RG7112-palbociclib similarity", "source_label": "RG7112", "target_label": "palbociclib", "cosine_similarity": 0.4754864275455475 } }, { "source": "CID:46943258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251479", "properties": { "id": "VU-0424206-1-VU-0405166-2 similarity", "source_label": "VU-0424206-1", "target_label": "VU-0405166-2", "cosine_similarity": 0.3282158076763153 } }, { "source": "CID:24880028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "ALW-II-38-3-doramapimod similarity", "source_label": "ALW-II-38-3", "target_label": "doramapimod", "cosine_similarity": 0.4200459718704223 } }, { "source": "CID:1088438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "ML-130-JZL-184 similarity", "source_label": "ML-130", "target_label": "JZL-184", "cosine_similarity": 0.3253648579120636 } }, { "source": "CID:9820008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6253", "properties": { "id": "SC-12267-cytarabine similarity", "source_label": "SC-12267", "target_label": "cytarabine", "cosine_similarity": 0.2644774615764618 } }, { "source": "CID:71271629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9936746", "properties": { "id": "PFI-1-OTX-015 similarity", "source_label": "PFI-1", "target_label": "OTX-015", "cosine_similarity": 0.7090055346488953 } }, { "source": "CID:2744062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "SPB02303-VU-0410183-2 similarity", "source_label": "SPB02303", "target_label": "VU-0410183-2", "cosine_similarity": 0.62135249376297 } }, { "source": "CID:1714884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "AC-55649-DL-TBOA similarity", "source_label": "AC-55649", "target_label": "DL-TBOA", "cosine_similarity": 0.4810508191585541 } }, { "source": "CID:23976270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "JPR-3-97-17-mesoridazine similarity", "source_label": "JPR-3-97-17", "target_label": "mesoridazine", "cosine_similarity": 0.2910548150539398 } }, { "source": "CID:4369491", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "PD-407824-cyclosporin-a similarity", "source_label": "PD-407824", "target_label": "cyclosporin-a", "cosine_similarity": 0.568810224533081 } }, { "source": "CID:6436393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311181", "properties": { "id": "carbacyclin-iloprost similarity", "source_label": "carbacyclin", "target_label": "iloprost", "cosine_similarity": 0.2813335657119751 } }, { "source": "CID:3077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "dimaprit-broxyquinoline similarity", "source_label": "dimaprit", "target_label": "broxyquinoline", "cosine_similarity": 0.3631173074245453 } }, { "source": "CID:45489398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "VU-0415533-1-SAR-245408 similarity", "source_label": "VU-0415533-1", "target_label": "SAR-245408", "cosine_similarity": 0.2606046199798584 } }, { "source": "CID:5281040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4723", "properties": { "id": "montelukast-pemoline similarity", "source_label": "montelukast", "target_label": "pemoline", "cosine_similarity": 0.3179360032081604 } }, { "source": "CID:54666869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-1920942-SA-441487 similarity", "source_label": "SA-1920942", "target_label": "SA-441487", "cosine_similarity": 0.2536461353302002 } }, { "source": "CID:6249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29327", "properties": { "id": "ampicillin-streptozotocin similarity", "source_label": "ampicillin", "target_label": "streptozotocin", "cosine_similarity": 0.2692539691925049 } }, { "source": "CID:10252734", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2812", "properties": { "id": "GP-1a-clotrimazole similarity", "source_label": "GP-1a", "target_label": "clotrimazole", "cosine_similarity": 0.219994232058525 } }, { "source": "CID:44201003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "DBPR-108-flutrimazole similarity", "source_label": "DBPR-108", "target_label": "flutrimazole", "cosine_similarity": 0.1933529376983642 } }, { "source": "CID:4423767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2116", "properties": { "id": "STK-674938-alpha-tocopherol similarity", "source_label": "STK-674938", "target_label": "alpha-tocopherol", "cosine_similarity": 0.3259955644607544 } }, { "source": "CID:4101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "methenamine-estradiol-cypionate similarity", "source_label": "methenamine", "target_label": "estradiol-cypionate", "cosine_similarity": 0.2152611017227172 } }, { "source": "CID:54667998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4160", "properties": { "id": "SA-1920080-methyl-testosterone similarity", "source_label": "SA-1920080", "target_label": "methyl-testosterone", "cosine_similarity": 0.298902302980423 } }, { "source": "CID:6710741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:708857", "properties": { "id": "baeomycesic-acid-pyrantel-pamoate similarity", "source_label": "baeomycesic-acid", "target_label": "pyrantel-pamoate", "cosine_similarity": 0.2416442930698394 } }, { "source": "CID:57339144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946601", "properties": { "id": "UNC-1215-JW-55 similarity", "source_label": "UNC-1215", "target_label": "JW-55", "cosine_similarity": 0.5835180282592773 } }, { "source": "CID:44489338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659868", "properties": { "id": "SA-424828-SA-1459031 similarity", "source_label": "SA-424828", "target_label": "SA-1459031", "cosine_similarity": 0.3049163520336151 } }, { "source": "CID:44721090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4237", "properties": { "id": "methoxypyruvic-acid-mofezolac similarity", "source_label": "methoxypyruvic-acid", "target_label": "mofezolac", "cosine_similarity": 0.2069636434316635 } }, { "source": "CID:60726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "bromfenac-CAM-9-021 similarity", "source_label": "bromfenac", "target_label": "CAM-9-021", "cosine_similarity": 0.2891294956207275 } }, { "source": "CID:2820633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73313", "properties": { "id": "KM-04501-trimidox similarity", "source_label": "KM-04501", "target_label": "trimidox", "cosine_similarity": 0.3194817006587982 } }, { "source": "CID:5073", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "risperidone-carbamazepine similarity", "source_label": "risperidone", "target_label": "carbamazepine", "cosine_similarity": 0.491246610879898 } }, { "source": "CID:445354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "retinol-BG-1023 similarity", "source_label": "retinol", "target_label": "BG-1023", "cosine_similarity": 0.2990539073944092 } }, { "source": "CID:155815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "varespladib-lorcaserin similarity", "source_label": "varespladib", "target_label": "lorcaserin", "cosine_similarity": 0.4184167981147766 } }, { "source": "CID:6604933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124846", "properties": { "id": "WAY-629-HTMT similarity", "source_label": "WAY-629", "target_label": "HTMT", "cosine_similarity": 0.2848250269889831 } }, { "source": "CID:3036864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "SCH-23390-Y-27632 similarity", "source_label": "SCH-23390", "target_label": "Y-27632", "cosine_similarity": 0.3578430414199829 } }, { "source": "CID:833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "L-citrulline-tipiracil similarity", "source_label": "L-citrulline", "target_label": "tipiracil", "cosine_similarity": 0.4058714807033539 } }, { "source": "CID:54668348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54616417", "properties": { "id": "SA-1922975-SA-424755 similarity", "source_label": "SA-1922975", "target_label": "SA-424755", "cosine_similarity": 0.2783955931663513 } }, { "source": "CID:58423153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11640390", "properties": { "id": "AZD-1208-linsitinib similarity", "source_label": "AZD-1208", "target_label": "linsitinib", "cosine_similarity": 0.3501069545745849 } }, { "source": "CID:38258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3077", "properties": { "id": "imidazolidinyl-urea-dimaprit similarity", "source_label": "imidazolidinyl-urea", "target_label": "dimaprit", "cosine_similarity": 0.2157021909952163 } }, { "source": "CID:5329103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195294", "properties": { "id": "SU-11652-LDN-193189 similarity", "source_label": "SU-11652", "target_label": "LDN-193189", "cosine_similarity": 0.2800159156322479 } }, { "source": "CID:5466054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22693263", "properties": { "id": "ST-208960-RAN-02 similarity", "source_label": "ST-208960", "target_label": "RAN-02", "cosine_similarity": 0.3107374012470245 } }, { "source": "CID:46196517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1549008", "properties": { "id": "EVP-6124-terbinafine similarity", "source_label": "EVP-6124", "target_label": "terbinafine", "cosine_similarity": 0.2836461067199707 } }, { "source": "CID:54653980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-1472321-SA-419010 similarity", "source_label": "SA-1472321", "target_label": "SA-419010", "cosine_similarity": 0.3066358864307403 } }, { "source": "CID:5312137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2780", "properties": { "id": "SU-6656-clebopride similarity", "source_label": "SU-6656", "target_label": "clebopride", "cosine_similarity": 0.3014171421527862 } }, { "source": "CID:5878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213046", "properties": { "id": "oxandrolone-lurasidone similarity", "source_label": "oxandrolone", "target_label": "lurasidone", "cosine_similarity": 0.2548964023590088 } }, { "source": "CID:4633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "oxybuprocaine-zidovudine similarity", "source_label": "oxybuprocaine", "target_label": "zidovudine", "cosine_similarity": 0.3803403079509735 } }, { "source": "CID:6450551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "axitinib-Ro-28-1675 similarity", "source_label": "axitinib", "target_label": "Ro-28-1675", "cosine_similarity": 0.3170901536941528 } }, { "source": "CID:73707357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "mebhydrolin-dienestrol similarity", "source_label": "mebhydrolin", "target_label": "dienestrol", "cosine_similarity": 0.215851292014122 } }, { "source": "CID:5735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4775", "properties": { "id": "zopiclone-phenylbutyrate similarity", "source_label": "zopiclone", "target_label": "phenylbutyrate", "cosine_similarity": 0.3652110993862152 } }, { "source": "CID:70680405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680411", "properties": { "id": "MW-SHH-151-AT1-SHH-29 similarity", "source_label": "MW-SHH-151", "target_label": "AT1-SHH-29", "cosine_similarity": 0.3456275463104248 } }, { "source": "CID:24747210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "PSH-027-T-5345967 similarity", "source_label": "PSH-027", "target_label": "T-5345967", "cosine_similarity": 0.3192662298679352 } }, { "source": "CID:5311257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702135", "properties": { "id": "LY-320135-strychnine similarity", "source_label": "LY-320135", "target_label": "strychnine", "cosine_similarity": 0.1918343156576156 } }, { "source": "CID:46893585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "AZD-3514-gemcitabine similarity", "source_label": "AZD-3514", "target_label": "gemcitabine", "cosine_similarity": 0.3689765334129333 } }, { "source": "CID:44601476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "KU-C103904N-SA-1973507 similarity", "source_label": "KU-C103904N", "target_label": "SA-1973507", "cosine_similarity": 0.3035740554332733 } }, { "source": "CID:4192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "midazolam-PCI-24781 similarity", "source_label": "midazolam", "target_label": "PCI-24781", "cosine_similarity": 0.2268669307231903 } }, { "source": "CID:6433109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "XBD-173-tiapride similarity", "source_label": "XBD-173", "target_label": "tiapride", "cosine_similarity": 0.3228951394557953 } }, { "source": "CID:46783527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "taurocholic-acid-BMS-641988 similarity", "source_label": "taurocholic-acid", "target_label": "BMS-641988", "cosine_similarity": 0.3355518281459808 } }, { "source": "CID:3634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "hycanthone-doxorubicin similarity", "source_label": "hycanthone", "target_label": "doxorubicin", "cosine_similarity": 0.3305485248565674 } }, { "source": "CID:4735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119607", "properties": { "id": "pentamidine-valdecoxib similarity", "source_label": "pentamidine", "target_label": "valdecoxib", "cosine_similarity": 0.4157508313655853 } }, { "source": "CID:44640176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "KU-C104493-KU-C104486 similarity", "source_label": "KU-C104493", "target_label": "KU-C104486", "cosine_similarity": 0.7305722832679749 } }, { "source": "CID:44143772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:761523", "properties": { "id": "UTMB-00530-m-3M3FBS similarity", "source_label": "UTMB-00530", "target_label": "m-3M3FBS", "cosine_similarity": 0.257472425699234 } }, { "source": "CID:44143703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747195", "properties": { "id": "KU-C103428N-PSH-026 similarity", "source_label": "KU-C103428N", "target_label": "PSH-026", "cosine_similarity": 0.3140850663185119 } }, { "source": "CID:2730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "chlorpyrifos-T-0156 similarity", "source_label": "chlorpyrifos", "target_label": "T-0156", "cosine_similarity": 0.5255495309829712 } }, { "source": "CID:622606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "desmethylclomipramine-trifluoperazine similarity", "source_label": "desmethylclomipramine", "target_label": "trifluoperazine", "cosine_similarity": 0.2899304032325744 } }, { "source": "CID:25295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361202", "properties": { "id": "chloropyramine-cefuroxime similarity", "source_label": "chloropyramine", "target_label": "cefuroxime", "cosine_similarity": 0.2368955165147781 } }, { "source": "CID:42618298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "BG-1030-HC-toxin similarity", "source_label": "BG-1030", "target_label": "HC-toxin", "cosine_similarity": 0.4492493867874145 } }, { "source": "CID:6918184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46861623", "properties": { "id": "Y-27152-AZD-9668 similarity", "source_label": "Y-27152", "target_label": "AZD-9668", "cosine_similarity": 0.4123687744140625 } }, { "source": "CID:688272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "levosulpiride-gatifloxacin similarity", "source_label": "levosulpiride", "target_label": "gatifloxacin", "cosine_similarity": 0.5006646513938904 } }, { "source": "CID:4355450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "LY-225910-RAF-265 similarity", "source_label": "LY-225910", "target_label": "RAF-265", "cosine_similarity": 0.2115133851766586 } }, { "source": "CID:448991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23789069", "properties": { "id": "purvalanol-b-nitrarine similarity", "source_label": "purvalanol-b", "target_label": "nitrarine", "cosine_similarity": 0.2967444658279419 } }, { "source": "CID:446313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9820766", "properties": { "id": "SR-12813-PD-160170 similarity", "source_label": "SR-12813", "target_label": "PD-160170", "cosine_similarity": 0.2356491386890411 } }, { "source": "CID:5063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "RHC-80267-SA-1462678 similarity", "source_label": "RHC-80267", "target_label": "SA-1462678", "cosine_similarity": 0.2356213927268982 } }, { "source": "CID:119373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9690109", "properties": { "id": "elacridar-armodafinil similarity", "source_label": "elacridar", "target_label": "armodafinil", "cosine_similarity": 0.3078670799732208 } }, { "source": "CID:92144482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "semagacestat-aminoglutethimide similarity", "source_label": "semagacestat", "target_label": "aminoglutethimide", "cosine_similarity": 0.3402484655380249 } }, { "source": "CID:25161177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "MLN-2480-actarit similarity", "source_label": "MLN-2480", "target_label": "actarit", "cosine_similarity": 0.457876443862915 } }, { "source": "CID:3973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "LY-294002-wortmannin similarity", "source_label": "LY-294002", "target_label": "wortmannin", "cosine_similarity": 0.6255741715431213 } }, { "source": "CID:4043357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "hemado-UB-165 similarity", "source_label": "hemado", "target_label": "UB-165", "cosine_similarity": 0.486600250005722 } }, { "source": "CID:5702007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "amikacin-gliclazide similarity", "source_label": "amikacin", "target_label": "gliclazide", "cosine_similarity": 0.8124495148658752 } }, { "source": "CID:441289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "pancuronium-hemado similarity", "source_label": "pancuronium", "target_label": "hemado", "cosine_similarity": 0.2129280567169189 } }, { "source": "CID:10223146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9829523", "properties": { "id": "JTE-013-midostaurin similarity", "source_label": "JTE-013", "target_label": "midostaurin", "cosine_similarity": 0.2016140073537826 } }, { "source": "CID:69923936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51358113", "properties": { "id": "JW-7-24-1-torin-2 similarity", "source_label": "JW-7-24-1", "target_label": "torin-2", "cosine_similarity": 0.5261511206626892 } }, { "source": "CID:123686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "ICI-89406-APO-866 similarity", "source_label": "ICI-89406", "target_label": "APO-866", "cosine_similarity": 0.2812447845935821 } }, { "source": "CID:60188101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "RS-I-002-6-GP-42 similarity", "source_label": "RS-I-002-6", "target_label": "GP-42", "cosine_similarity": 0.7722159624099731 } }, { "source": "CID:5614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "tyrphostin-A9-heliomycin similarity", "source_label": "tyrphostin-A9", "target_label": "heliomycin", "cosine_similarity": 0.7539792060852051 } }, { "source": "CID:10404245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "macelignan-dichlorophen similarity", "source_label": "macelignan", "target_label": "dichlorophen", "cosine_similarity": 0.4366174638271332 } }, { "source": "CID:6915744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:132862", "properties": { "id": "roxithromycin-targinine similarity", "source_label": "roxithromycin", "target_label": "targinine", "cosine_similarity": 0.3800946474075317 } }, { "source": "CID:2703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "chelerythrine-nelfinavir similarity", "source_label": "chelerythrine", "target_label": "nelfinavir", "cosine_similarity": 0.3900813162326813 } }, { "source": "CID:439533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44205240", "properties": { "id": "taxifolin-baricitinib similarity", "source_label": "taxifolin", "target_label": "baricitinib", "cosine_similarity": 0.2841559648513794 } }, { "source": "CID:56599306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25033539", "properties": { "id": "pilaralisib-PF-04691502 similarity", "source_label": "pilaralisib", "target_label": "PF-04691502", "cosine_similarity": 0.3066817820072174 } }, { "source": "CID:564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "aminocaproic-acid-aliskiren similarity", "source_label": "aminocaproic-acid", "target_label": "aliskiren", "cosine_similarity": 0.4129548668861389 } }, { "source": "CID:483407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "maraviroc-griseofulvin similarity", "source_label": "maraviroc", "target_label": "griseofulvin", "cosine_similarity": 0.4128632843494415 } }, { "source": "CID:54667012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5681", "properties": { "id": "SA-1920327-W-7 similarity", "source_label": "SA-1920327", "target_label": "W-7", "cosine_similarity": 0.2329515069723129 } }, { "source": "CID:3305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4567", "properties": { "id": "etidronic-acid-buphenine similarity", "source_label": "etidronic-acid", "target_label": "buphenine", "cosine_similarity": 0.2186426520347595 } }, { "source": "CID:71188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "enrofloxacin-GW-1929 similarity", "source_label": "enrofloxacin", "target_label": "GW-1929", "cosine_similarity": 0.3614806234836578 } }, { "source": "CID:132059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "L-694247-fluoropyruvate similarity", "source_label": "L-694247", "target_label": "fluoropyruvate", "cosine_similarity": 0.2541932761669159 } }, { "source": "CID:70680404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "AT1-SHH-09-tofacitinib similarity", "source_label": "AT1-SHH-09", "target_label": "tofacitinib", "cosine_similarity": 0.3757528960704803 } }, { "source": "CID:73707373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "COT-10b-SB-216763 similarity", "source_label": "COT-10b", "target_label": "SB-216763", "cosine_similarity": 0.6164031624794006 } }, { "source": "CID:54658844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803433", "properties": { "id": "SA-1457992-MK-0752 similarity", "source_label": "SA-1457992", "target_label": "MK-0752", "cosine_similarity": 0.2571035325527191 } }, { "source": "CID:9863367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "SB-242235-doramapimod similarity", "source_label": "SB-242235", "target_label": "doramapimod", "cosine_similarity": 0.345141589641571 } }, { "source": "CID:4477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "niclosamide-tyrphostin-A9 similarity", "source_label": "niclosamide", "target_label": "tyrphostin-A9", "cosine_similarity": 0.7218278050422668 } }, { "source": "CID:176870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "erlotinib-pelitinib similarity", "source_label": "erlotinib", "target_label": "pelitinib", "cosine_similarity": 0.6079968214035034 } }, { "source": "CID:44503122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658765", "properties": { "id": "SA-101776-SA-1459849 similarity", "source_label": "SA-101776", "target_label": "SA-1459849", "cosine_similarity": 0.3087958097457886 } }, { "source": "CID:1607628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "EMF-sumo1-3-EMF-sumo1-11 similarity", "source_label": "EMF-sumo1-3", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.4511781632900238 } }, { "source": "CID:60063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "clinafloxacin-aliskiren similarity", "source_label": "clinafloxacin", "target_label": "aliskiren", "cosine_similarity": 0.3826956450939178 } }, { "source": "CID:5105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4631", "properties": { "id": "roxatidine-oxprenolol similarity", "source_label": "roxatidine", "target_label": "oxprenolol", "cosine_similarity": 0.2361646294593811 } }, { "source": "CID:6634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "sulfachlorpyridazine-fisetin similarity", "source_label": "sulfachlorpyridazine", "target_label": "fisetin", "cosine_similarity": 0.3292413651943207 } }, { "source": "CID:4995951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610300", "properties": { "id": "PD-102807-dichlorobenzamil similarity", "source_label": "PD-102807", "target_label": "dichlorobenzamil", "cosine_similarity": 0.5175672173500061 } }, { "source": "CID:5368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "T-0156-iproniazid similarity", "source_label": "T-0156", "target_label": "iproniazid", "cosine_similarity": 0.5321671962738037 } }, { "source": "CID:126280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "indatraline-BIBU-1361 similarity", "source_label": "indatraline", "target_label": "BIBU-1361", "cosine_similarity": 0.4915229678153991 } }, { "source": "CID:1204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:609483", "properties": { "id": "epibatidine-ARC-239 similarity", "source_label": "epibatidine", "target_label": "ARC-239", "cosine_similarity": 0.3084084987640381 } }, { "source": "CID:9868037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644241", "properties": { "id": "OSI-930-nilotinib similarity", "source_label": "OSI-930", "target_label": "nilotinib", "cosine_similarity": 0.3668093681335449 } }, { "source": "CID:14187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667705", "properties": { "id": "ST-1859-exemestane similarity", "source_label": "ST-1859", "target_label": "exemestane", "cosine_similarity": 0.4156273305416107 } }, { "source": "CID:4813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "piceatannol-butein similarity", "source_label": "piceatannol", "target_label": "butein", "cosine_similarity": 0.4916041791439056 } }, { "source": "CID:4486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:323", "properties": { "id": "nifekalant-coumarin similarity", "source_label": "nifekalant", "target_label": "coumarin", "cosine_similarity": 0.2326727658510208 } }, { "source": "CID:3385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "fluorouracil-methotrexate similarity", "source_label": "fluorouracil", "target_label": "methotrexate", "cosine_similarity": 0.3902971744537353 } }, { "source": "CID:5702076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "isoxsuprine-rolipram similarity", "source_label": "isoxsuprine", "target_label": "rolipram", "cosine_similarity": 0.2766879498958587 } }, { "source": "CID:5318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "sulconazole-NNC-55-0396 similarity", "source_label": "sulconazole", "target_label": "NNC-55-0396", "cosine_similarity": 0.5397361516952515 } }, { "source": "CID:156419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "cinacalcet-FIT similarity", "source_label": "cinacalcet", "target_label": "FIT", "cosine_similarity": 0.2332511246204376 } }, { "source": "CID:132846", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "L-733060-NTNCB similarity", "source_label": "L-733060", "target_label": "NTNCB", "cosine_similarity": 0.5324138402938843 } }, { "source": "CID:11096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "pseudopelletierine-BMS-191011 similarity", "source_label": "pseudopelletierine", "target_label": "BMS-191011", "cosine_similarity": 0.2652219235897064 } }, { "source": "CID:451668", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "decitabine-camptothecin similarity", "source_label": "decitabine", "target_label": "camptothecin", "cosine_similarity": 0.3978644013404846 } }, { "source": "CID:122295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "SKF-104078-etamsylate similarity", "source_label": "SKF-104078", "target_label": "etamsylate", "cosine_similarity": 0.1509488523006439 } }, { "source": "CID:73707440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "YL-59-cefoxitin similarity", "source_label": "YL-59", "target_label": "cefoxitin", "cosine_similarity": 0.2180050611495971 } }, { "source": "CID:104865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "bosentan-valsartan similarity", "source_label": "bosentan", "target_label": "valsartan", "cosine_similarity": 0.4055839478969574 } }, { "source": "CID:11234049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "tedizolid-LGK-974 similarity", "source_label": "tedizolid", "target_label": "LGK-974", "cosine_similarity": 0.3238802850246429 } }, { "source": "CID:40854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "oxfendazole-levofloxacin similarity", "source_label": "oxfendazole", "target_label": "levofloxacin", "cosine_similarity": 0.3072298467159271 } }, { "source": "CID:892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "inositol-dexloxiglumide similarity", "source_label": "inositol", "target_label": "dexloxiglumide", "cosine_similarity": 0.7972609400749207 } }, { "source": "CID:92786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6780", "properties": { "id": "eltanolone-anthraquinone similarity", "source_label": "eltanolone", "target_label": "anthraquinone", "cosine_similarity": 0.5271843671798706 } }, { "source": "CID:491941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "pritelivir-apocynin similarity", "source_label": "pritelivir", "target_label": "apocynin", "cosine_similarity": 0.4989495277404785 } }, { "source": "CID:216468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "indisulam-geldanamycin similarity", "source_label": "indisulam", "target_label": "geldanamycin", "cosine_similarity": 0.1963506042957306 } }, { "source": "CID:4746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "perhexiline-terfenadine similarity", "source_label": "perhexiline", "target_label": "terfenadine", "cosine_similarity": 0.5766502618789673 } }, { "source": "CID:5717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "zafirlukast-brivanib similarity", "source_label": "zafirlukast", "target_label": "brivanib", "cosine_similarity": 0.3383150398731231 } }, { "source": "CID:5095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "ropinirole-pritelivir similarity", "source_label": "ropinirole", "target_label": "pritelivir", "cosine_similarity": 0.4183182418346405 } }, { "source": "CID:44616686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-441487-SA-424170 similarity", "source_label": "SA-441487", "target_label": "SA-424170", "cosine_similarity": 0.3372286558151245 } }, { "source": "CID:44487597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54616417", "properties": { "id": "SA-440832-SA-424755 similarity", "source_label": "SA-440832", "target_label": "SA-424755", "cosine_similarity": 0.2974431216716766 } }, { "source": "CID:3896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "lavendustin-c-VX-745 similarity", "source_label": "lavendustin-c", "target_label": "VX-745", "cosine_similarity": 0.2598073184490204 } }, { "source": "CID:3516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "guaifenesin-gossypin similarity", "source_label": "guaifenesin", "target_label": "gossypin", "cosine_similarity": 0.2623180449008941 } }, { "source": "CID:9549305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "PQ-401-RS-17053 similarity", "source_label": "PQ-401", "target_label": "RS-17053", "cosine_similarity": 0.233762502670288 } }, { "source": "CID:5280647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "Gossypetin-ST-059620 similarity", "source_label": "Gossypetin", "target_label": "ST-059620", "cosine_similarity": 0.6936711072921753 } }, { "source": "CID:3896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "lavendustin-c-DAC-012 similarity", "source_label": "lavendustin-c", "target_label": "DAC-012", "cosine_similarity": 0.3001620471477508 } }, { "source": "CID:44241483", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "VU-0403126-selinidin similarity", "source_label": "VU-0403126", "target_label": "selinidin", "cosine_similarity": 0.2732199728488922 } }, { "source": "CID:3291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "ethosuximide-syringic-acid similarity", "source_label": "ethosuximide", "target_label": "syringic-acid", "cosine_similarity": 0.2235535532236099 } }, { "source": "CID:29985980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:213040", "properties": { "id": "norgestrel-dofequidar similarity", "source_label": "norgestrel", "target_label": "dofequidar", "cosine_similarity": 0.434018462896347 } }, { "source": "CID:3019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6726", "properties": { "id": "diazoxide-cyclizine similarity", "source_label": "diazoxide", "target_label": "cyclizine", "cosine_similarity": 0.5158196687698364 } }, { "source": "CID:4848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "pirenzepine-darinaparsin similarity", "source_label": "pirenzepine", "target_label": "darinaparsin", "cosine_similarity": 0.2449244856834411 } }, { "source": "CID:5720188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3765615", "properties": { "id": "BH3I-1-L-152804 similarity", "source_label": "BH3I-1", "target_label": "L-152804", "cosine_similarity": 0.3007927536964416 } }, { "source": "CID:9904854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "R-112-RAF-265 similarity", "source_label": "R-112", "target_label": "RAF-265", "cosine_similarity": 0.5461449027061462 } }, { "source": "CID:192197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3728", "properties": { "id": "hexestrol-iodoquinol similarity", "source_label": "hexestrol", "target_label": "iodoquinol", "cosine_similarity": 0.2079385370016098 } }, { "source": "CID:10131112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "EMD-386088-RS-39604 similarity", "source_label": "EMD-386088", "target_label": "RS-39604", "cosine_similarity": 0.3392828106880188 } }, { "source": "CID:65637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "zatebradine-fumonisin-b1 similarity", "source_label": "zatebradine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2597966492176056 } }, { "source": "CID:121891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:392622", "properties": { "id": "mitiglinide-ritonavir similarity", "source_label": "mitiglinide", "target_label": "ritonavir", "cosine_similarity": 0.4137940108776092 } }, { "source": "CID:44483329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "malonoben-hexachlorophene similarity", "source_label": "malonoben", "target_label": "hexachlorophene", "cosine_similarity": 0.6863824129104614 } }, { "source": "CID:132449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "L-690330-taranabant similarity", "source_label": "L-690330", "target_label": "taranabant", "cosine_similarity": 0.4736443758010864 } }, { "source": "CID:44483335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4684627", "properties": { "id": "GW-311616-RWJ-21757 similarity", "source_label": "GW-311616", "target_label": "RWJ-21757", "cosine_similarity": 0.2684349119663238 } }, { "source": "CID:5280704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:158794", "properties": { "id": "cosmosiin-ZD-2079 similarity", "source_label": "cosmosiin", "target_label": "ZD-2079", "cosine_similarity": 0.3414883017539978 } }, { "source": "CID:54656566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-1473405-SA-103013 similarity", "source_label": "SA-1473405", "target_label": "SA-103013", "cosine_similarity": 0.3925374746322632 } }, { "source": "CID:44483287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "TC-2559-BG-STK33-55 similarity", "source_label": "TC-2559", "target_label": "BG-STK33-55", "cosine_similarity": 0.2939811050891876 } }, { "source": "CID:9727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10311918", "properties": { "id": "methyltyramine-CTPB similarity", "source_label": "methyltyramine", "target_label": "CTPB", "cosine_similarity": 0.1920772790908813 } }, { "source": "CID:5482874", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9823820", "properties": { "id": "rifabutin-lenvatinib similarity", "source_label": "rifabutin", "target_label": "lenvatinib", "cosine_similarity": 0.5132920742034912 } }, { "source": "CID:6708636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2946732", "properties": { "id": "dihydrodeoxygedunin-STK-111867 similarity", "source_label": "dihydrodeoxygedunin", "target_label": "STK-111867", "cosine_similarity": 0.2565570473670959 } }, { "source": "CID:3330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "FCCP-niclosamide similarity", "source_label": "FCCP", "target_label": "niclosamide", "cosine_similarity": 0.7831971049308777 } }, { "source": "CID:689043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "caffeic-acid-cyclosporin-a similarity", "source_label": "caffeic-acid", "target_label": "cyclosporin-a", "cosine_similarity": 0.5512161254882812 } }, { "source": "CID:168182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "valyltryptophan-labetalol similarity", "source_label": "valyltryptophan", "target_label": "labetalol", "cosine_similarity": 0.3129920959472656 } }, { "source": "CID:9880620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "piroxicam-carbamazepine similarity", "source_label": "piroxicam", "target_label": "carbamazepine", "cosine_similarity": 0.3054103553295135 } }, { "source": "CID:2803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "clonidine-lorazepam similarity", "source_label": "clonidine", "target_label": "lorazepam", "cosine_similarity": 0.3727374076843261 } }, { "source": "CID:73707560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377408", "properties": { "id": "DASB-MW-STK33-97 similarity", "source_label": "DASB", "target_label": "MW-STK33-97", "cosine_similarity": 0.1751121133565902 } }, { "source": "CID:5342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:168613", "properties": { "id": "sulfinpyrazone-timolol similarity", "source_label": "sulfinpyrazone", "target_label": "timolol", "cosine_similarity": 0.231832280755043 } }, { "source": "CID:6032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9961192", "properties": { "id": "kanamycin-L-161982 similarity", "source_label": "kanamycin", "target_label": "L-161982", "cosine_similarity": 0.2411536425352096 } }, { "source": "CID:5280445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "luteolin-nafamostat similarity", "source_label": "luteolin", "target_label": "nafamostat", "cosine_similarity": 0.374607652425766 } }, { "source": "CID:17756791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "Ro-08-2750-SAR-245408 similarity", "source_label": "Ro-08-2750", "target_label": "SAR-245408", "cosine_similarity": 0.2339078336954116 } }, { "source": "CID:54658535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187611", "properties": { "id": "SA-1459975-SA-1939838 similarity", "source_label": "SA-1459975", "target_label": "SA-1939838", "cosine_similarity": 0.3364166021347046 } }, { "source": "CID:51003716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003685", "properties": { "id": "CVF-SUMO-11-CVF-SUMO-14 similarity", "source_label": "CVF-SUMO-11", "target_label": "CVF-SUMO-14", "cosine_similarity": 0.7795203924179077 } }, { "source": "CID:51003694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "EMF-sumo1-39-CVF-SUMO-11 similarity", "source_label": "EMF-sumo1-39", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.8633374571800232 } }, { "source": "CID:11719003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "BVD-523-Ro-4987655 similarity", "source_label": "BVD-523", "target_label": "Ro-4987655", "cosine_similarity": 0.5855843424797058 } }, { "source": "CID:44484295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492524", "properties": { "id": "SA-90544-SA-242939 similarity", "source_label": "SA-90544", "target_label": "SA-242939", "cosine_similarity": 0.2719397246837616 } }, { "source": "CID:6602442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "hydrocortisone-phosphate-dexamethasone similarity", "source_label": "hydrocortisone-phosphate", "target_label": "dexamethasone", "cosine_similarity": 0.3871407210826874 } }, { "source": "CID:3645619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "PD-168077-fumonisin-b1 similarity", "source_label": "PD-168077", "target_label": "fumonisin-b1", "cosine_similarity": 0.2822479903697967 } }, { "source": "CID:129211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "tamsulosin-flavoxate similarity", "source_label": "tamsulosin", "target_label": "flavoxate", "cosine_similarity": 0.4122107923030853 } }, { "source": "CID:1833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "5-methoxytryptamine-fananserin similarity", "source_label": "5-methoxytryptamine", "target_label": "fananserin", "cosine_similarity": 0.3609998822212219 } }, { "source": "CID:3547", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "fasudil-chloroquine similarity", "source_label": "fasudil", "target_label": "chloroquine", "cosine_similarity": 0.4031646847724914 } }, { "source": "CID:6604381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "tyloxapol-GR-127935 similarity", "source_label": "tyloxapol", "target_label": "GR-127935", "cosine_similarity": 0.3909603059291839 } }, { "source": "CID:5360697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "dextrorphan-PSH-003 similarity", "source_label": "dextrorphan", "target_label": "PSH-003", "cosine_similarity": 0.240470752120018 } }, { "source": "CID:5745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "cortisone-acetate-PT-630 similarity", "source_label": "cortisone-acetate", "target_label": "PT-630", "cosine_similarity": 0.3773910701274872 } }, { "source": "CID:25117126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11598628", "properties": { "id": "defactinib-PF-431396 similarity", "source_label": "defactinib", "target_label": "PF-431396", "cosine_similarity": 0.3910398483276367 } }, { "source": "CID:6710659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "fludrocortisone-acetate-methylprednisolone similarity", "source_label": "fludrocortisone-acetate", "target_label": "methylprednisolone", "cosine_similarity": 0.3714445531368255 } }, { "source": "CID:9888030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "NNC-05-2090-RS-17053 similarity", "source_label": "NNC-05-2090", "target_label": "RS-17053", "cosine_similarity": 0.4285660684108734 } }, { "source": "CID:10367662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5382", "properties": { "id": "KI-16425-TCPOBOP similarity", "source_label": "KI-16425", "target_label": "TCPOBOP", "cosine_similarity": 0.2630061209201813 } }, { "source": "CID:23649325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3467590", "properties": { "id": "AZD-1283-STO-609 similarity", "source_label": "AZD-1283", "target_label": "STO-609", "cosine_similarity": 0.2437540590763092 } }, { "source": "CID:129009918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "pregnenolone-DL-TBOA similarity", "source_label": "pregnenolone", "target_label": "DL-TBOA", "cosine_similarity": 0.5165078639984131 } }, { "source": "CID:3332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "felbinac-linsidomine similarity", "source_label": "felbinac", "target_label": "linsidomine", "cosine_similarity": 0.5058513879776001 } }, { "source": "CID:5312111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "NF-449-emedastine similarity", "source_label": "NF-449", "target_label": "emedastine", "cosine_similarity": 0.4854114949703216 } }, { "source": "CID:44603533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9832447", "properties": { "id": "LY-2801653-efatutazone similarity", "source_label": "LY-2801653", "target_label": "efatutazone", "cosine_similarity": 0.2621422708034515 } }, { "source": "CID:442128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "dihydrosamidin-RK-682 similarity", "source_label": "dihydrosamidin", "target_label": "RK-682", "cosine_similarity": 0.3356553912162781 } }, { "source": "CID:3689416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "K784-3188-EMF-sumo1-39 similarity", "source_label": "K784-3188", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7481603622436523 } }, { "source": "CID:3503044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914657", "properties": { "id": "dihydroobliquin-FK-866 similarity", "source_label": "dihydroobliquin", "target_label": "FK-866", "cosine_similarity": 0.2465947717428207 } }, { "source": "CID:345945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46238405", "properties": { "id": "RAN-30-RAN-29 similarity", "source_label": "RAN-30", "target_label": "RAN-29", "cosine_similarity": 0.2346613705158233 } }, { "source": "CID:23036271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "VU-0413255-1-simvastatin similarity", "source_label": "VU-0413255-1", "target_label": "simvastatin", "cosine_similarity": 0.2193601429462433 } }, { "source": "CID:54657710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "SA-1456508-cefixime similarity", "source_label": "SA-1456508", "target_label": "cefixime", "cosine_similarity": 0.2665421664714813 } }, { "source": "CID:5388993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707409", "properties": { "id": "vincristine-vinorelbine similarity", "source_label": "vincristine", "target_label": "vinorelbine", "cosine_similarity": 0.7263575792312622 } }, { "source": "CID:134044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "labetalol-actarit similarity", "source_label": "labetalol", "target_label": "actarit", "cosine_similarity": 0.4359432756900787 } }, { "source": "CID:44257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6337614", "properties": { "id": "sapropterin-palonosetron similarity", "source_label": "sapropterin", "target_label": "palonosetron", "cosine_similarity": 0.2711080908775329 } }, { "source": "CID:3610881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "EMF-sumo1-5-zebularine similarity", "source_label": "EMF-sumo1-5", "target_label": "zebularine", "cosine_similarity": 0.333022266626358 } }, { "source": "CID:123831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25151504", "properties": { "id": "asymmetrical-dimethylarginine-cobicistat similarity", "source_label": "asymmetrical-dimethylarginine", "target_label": "cobicistat", "cosine_similarity": 0.3109551072120666 } }, { "source": "CID:675434", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10436840", "properties": { "id": "IU1-NH-125 similarity", "source_label": "IU1", "target_label": "NH-125", "cosine_similarity": 0.2477386742830276 } }, { "source": "CID:5290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:361510", "properties": { "id": "L-stepholidine-emodic-acid similarity", "source_label": "L-stepholidine", "target_label": "emodic-acid", "cosine_similarity": 0.2266754209995269 } }, { "source": "CID:62887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457928", "properties": { "id": "atracurium-bevirimat-dimeglumine similarity", "source_label": "atracurium", "target_label": "bevirimat-dimeglumine", "cosine_similarity": 0.2718028128147125 } }, { "source": "CID:10687292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "cytosporone-b-enzalutamide similarity", "source_label": "cytosporone-b", "target_label": "enzalutamide", "cosine_similarity": 0.5371263027191162 } }, { "source": "CID:46931242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "UNC-669-resveratrol similarity", "source_label": "UNC-669", "target_label": "resveratrol", "cosine_similarity": 0.3667535483837127 } }, { "source": "CID:2457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "BU-224-rutin similarity", "source_label": "BU-224", "target_label": "rutin", "cosine_similarity": 0.3143716156482696 } }, { "source": "CID:3894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "lavendustin-a-temozolomide similarity", "source_label": "lavendustin-a", "target_label": "temozolomide", "cosine_similarity": 0.2077455371618271 } }, { "source": "CID:54669304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5453", "properties": { "id": "SA-1922927-thiotepa similarity", "source_label": "SA-1922927", "target_label": "thiotepa", "cosine_similarity": 0.1915292143821716 } }, { "source": "CID:656765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "DCEBIO-dalcetrapib similarity", "source_label": "DCEBIO", "target_label": "dalcetrapib", "cosine_similarity": 0.2267466783523559 } }, { "source": "CID:44828477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "KUC104542N-rilmenidine similarity", "source_label": "KUC104542N", "target_label": "rilmenidine", "cosine_similarity": 0.2785669863224029 } }, { "source": "CID:65889", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "apafant-dapivirine similarity", "source_label": "apafant", "target_label": "dapivirine", "cosine_similarity": 0.4449845254421234 } }, { "source": "CID:643951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "necrostatin-1-thiazolopyrimidine similarity", "source_label": "necrostatin-1", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.349407434463501 } }, { "source": "CID:128919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "xaliproden-naftifine similarity", "source_label": "xaliproden", "target_label": "naftifine", "cosine_similarity": 0.3222456574440002 } }, { "source": "CID:54197", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:139032029", "properties": { "id": "ceftazidime-amphotericin-b similarity", "source_label": "ceftazidime", "target_label": "amphotericin-b", "cosine_similarity": 0.2121677547693252 } }, { "source": "CID:10668211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "R-96544-T-98475 similarity", "source_label": "R-96544", "target_label": "T-98475", "cosine_similarity": 0.4383866190910339 } }, { "source": "CID:2075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281614", "properties": { "id": "aklomide-fisetin similarity", "source_label": "aklomide", "target_label": "fisetin", "cosine_similarity": 0.3420076072216034 } }, { "source": "CID:44640175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "KU-C104487-KU-C104248 similarity", "source_label": "KU-C104487", "target_label": "KU-C104248", "cosine_similarity": 0.387082040309906 } }, { "source": "CID:25227436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "AZD-5363-GSK-1059615 similarity", "source_label": "AZD-5363", "target_label": "GSK-1059615", "cosine_similarity": 0.7054710388183594 } }, { "source": "CID:9830191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "tipranavir-nevirapine similarity", "source_label": "tipranavir", "target_label": "nevirapine", "cosine_similarity": 0.3655045926570892 } }, { "source": "CID:4930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "pronetalol-A-61603 similarity", "source_label": "pronetalol", "target_label": "A-61603", "cosine_similarity": 0.2513232231140136 } }, { "source": "CID:6610216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57379345", "properties": { "id": "DL-PDMP-ceritinib similarity", "source_label": "DL-PDMP", "target_label": "ceritinib", "cosine_similarity": 0.5961697101593018 } }, { "source": "CID:54658205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484295", "properties": { "id": "SA-1456102-SA-90544 similarity", "source_label": "SA-1456102", "target_label": "SA-90544", "cosine_similarity": 0.2601342499256134 } }, { "source": "CID:16129706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "somatostatin-T-5345967 similarity", "source_label": "somatostatin", "target_label": "T-5345967", "cosine_similarity": 0.2747480869293213 } }, { "source": "CID:3532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71771", "properties": { "id": "guvacine-aceclofenac similarity", "source_label": "guvacine", "target_label": "aceclofenac", "cosine_similarity": 0.3500557243824005 } }, { "source": "CID:44489854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "SA-423131-DAC-004 similarity", "source_label": "SA-423131", "target_label": "DAC-004", "cosine_similarity": 0.364694207906723 } }, { "source": "CID:5440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "thiethylperazine-GSK-429286A similarity", "source_label": "thiethylperazine", "target_label": "GSK-429286A", "cosine_similarity": 0.2019787281751632 } }, { "source": "CID:12387471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "KUC111774N-RJC-00245SC similarity", "source_label": "KUC111774N", "target_label": "RJC-00245SC", "cosine_similarity": 0.4425564110279083 } }, { "source": "CID:6305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4680", "properties": { "id": "tryptophan-papaverine similarity", "source_label": "tryptophan", "target_label": "papaverine", "cosine_similarity": 0.23626808822155 } }, { "source": "CID:5323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "sulfadimethoxine-sulfamethoxypyridazine similarity", "source_label": "sulfadimethoxine", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.3074988424777984 } }, { "source": "CID:24821094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10377751", "properties": { "id": "ibrutinib-AS-605240 similarity", "source_label": "ibrutinib", "target_label": "AS-605240", "cosine_similarity": 0.4792401194572449 } }, { "source": "CID:31307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "triamcinolone-hydrocortisone similarity", "source_label": "triamcinolone", "target_label": "hydrocortisone", "cosine_similarity": 0.4696348905563354 } }, { "source": "CID:44257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4781", "properties": { "id": "sapropterin-phenylbutazone similarity", "source_label": "sapropterin", "target_label": "phenylbutazone", "cosine_similarity": 0.243993267416954 } }, { "source": "CID:2853753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "CCT-031374-tamoxifen similarity", "source_label": "CCT-031374", "target_label": "tamoxifen", "cosine_similarity": 0.7783938646316528 } }, { "source": "CID:73707380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "fumonisin-b1-serotonin similarity", "source_label": "fumonisin-b1", "target_label": "serotonin", "cosine_similarity": 0.5709223747253418 } }, { "source": "CID:6708716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "catechin-lenalidomide similarity", "source_label": "catechin", "target_label": "lenalidomide", "cosine_similarity": 0.3248713314533233 } }, { "source": "CID:6049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "ethylenediaminetetraacetic-acid-lacosamide similarity", "source_label": "ethylenediaminetetraacetic-acid", "target_label": "lacosamide", "cosine_similarity": 0.3340973258018493 } }, { "source": "CID:165404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "L-ergothioneine-amikacin similarity", "source_label": "L-ergothioneine", "target_label": "amikacin", "cosine_similarity": 0.8832879066467285 } }, { "source": "CID:4658599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "VU-0447134-2-Gossypetin similarity", "source_label": "VU-0447134-2", "target_label": "Gossypetin", "cosine_similarity": 0.2677702605724334 } }, { "source": "CID:54615019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "SA-424827-SA-419090 similarity", "source_label": "SA-424827", "target_label": "SA-419090", "cosine_similarity": 0.3761121332645416 } }, { "source": "CID:23236067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "flunisolide-clocortolone-pivalate similarity", "source_label": "flunisolide", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.4805902242660522 } }, { "source": "CID:11345983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "cardiogenol-c-phenoxazine similarity", "source_label": "cardiogenol-c", "target_label": "phenoxazine", "cosine_similarity": 0.2875632345676422 } }, { "source": "CID:56971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "ipsapirone-PSH-024 similarity", "source_label": "ipsapirone", "target_label": "PSH-024", "cosine_similarity": 0.2666029632091522 } }, { "source": "CID:9687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "bucladesine-apocynin similarity", "source_label": "bucladesine", "target_label": "apocynin", "cosine_similarity": 0.4892288744449615 } }, { "source": "CID:9841972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39981", "properties": { "id": "BRL-37344-sparfosic-acid similarity", "source_label": "BRL-37344", "target_label": "sparfosic-acid", "cosine_similarity": 0.2820757925510406 } }, { "source": "CID:5709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "xylometazoline-cyclothiazide similarity", "source_label": "xylometazoline", "target_label": "cyclothiazide", "cosine_similarity": 0.3082640469074249 } }, { "source": "CID:442793", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "gingerol-AR-A014418 similarity", "source_label": "gingerol", "target_label": "AR-A014418", "cosine_similarity": 0.2460004091262817 } }, { "source": "CID:44505479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "SA-419010-motesanib similarity", "source_label": "SA-419010", "target_label": "motesanib", "cosine_similarity": 0.3556103110313415 } }, { "source": "CID:10748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "herniarin-GW-1929 similarity", "source_label": "herniarin", "target_label": "GW-1929", "cosine_similarity": 0.3568755090236664 } }, { "source": "CID:906542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "STK-249718-celastrol similarity", "source_label": "STK-249718", "target_label": "celastrol", "cosine_similarity": 0.5151955485343933 } }, { "source": "CID:44494463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-242443-SA-84905 similarity", "source_label": "SA-242443", "target_label": "SA-84905", "cosine_similarity": 0.3063898384571075 } }, { "source": "CID:29083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "caroxazone-vortioxetine similarity", "source_label": "caroxazone", "target_label": "vortioxetine", "cosine_similarity": 0.1421331912279129 } }, { "source": "CID:44620657", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186978", "properties": { "id": "SA-424233-SA-1938219 similarity", "source_label": "SA-424233", "target_label": "SA-1938219", "cosine_similarity": 0.3096394836902618 } }, { "source": "CID:23975549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "I-505056-I-070759 similarity", "source_label": "I-505056", "target_label": "I-070759", "cosine_similarity": 0.6591147184371948 } }, { "source": "CID:440936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "arbutin-tazobactam similarity", "source_label": "arbutin", "target_label": "tazobactam", "cosine_similarity": 0.4125990867614746 } }, { "source": "CID:216284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006157", "properties": { "id": "zeranol-altrenogest similarity", "source_label": "zeranol", "target_label": "altrenogest", "cosine_similarity": 0.2035962641239166 } }, { "source": "CID:2405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60953", "properties": { "id": "bisoprolol-capecitabine similarity", "source_label": "bisoprolol", "target_label": "capecitabine", "cosine_similarity": 0.3524425029754638 } }, { "source": "CID:21100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003702", "properties": { "id": "metanephrine-ARG-CSC2-23 similarity", "source_label": "metanephrine", "target_label": "ARG-CSC2-23", "cosine_similarity": 0.2614029049873352 } }, { "source": "CID:4065", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "meprylcaine-gossypin similarity", "source_label": "meprylcaine", "target_label": "gossypin", "cosine_similarity": 0.3864757120609283 } }, { "source": "CID:10296883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318433", "properties": { "id": "sotrastaurin-indirubin similarity", "source_label": "sotrastaurin", "target_label": "indirubin", "cosine_similarity": 0.2822358608245849 } }, { "source": "CID:3001077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "fusidic-acid-SGX-523 similarity", "source_label": "fusidic-acid", "target_label": "SGX-523", "cosine_similarity": 0.3942314982414245 } }, { "source": "CID:25260757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "WYE-125132-MLN-0128 similarity", "source_label": "WYE-125132", "target_label": "MLN-0128", "cosine_similarity": 0.8231813907623291 } }, { "source": "CID:23958199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "apramycin-SA-441350 similarity", "source_label": "apramycin", "target_label": "SA-441350", "cosine_similarity": 0.2026313990354538 } }, { "source": "CID:3476986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "blebbistatin-PP-2 similarity", "source_label": "blebbistatin", "target_label": "PP-2", "cosine_similarity": 0.5654541850090027 } }, { "source": "CID:10461815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "PHA-665752-obatoclax similarity", "source_label": "PHA-665752", "target_label": "obatoclax", "cosine_similarity": 0.4237166047096252 } }, { "source": "CID:49867936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24800541", "properties": { "id": "MLN-9708-delanzomib similarity", "source_label": "MLN-9708", "target_label": "delanzomib", "cosine_similarity": 0.8700364232063293 } }, { "source": "CID:46926350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "dinaciclib-triptolide similarity", "source_label": "dinaciclib", "target_label": "triptolide", "cosine_similarity": 0.7528989911079407 } }, { "source": "CID:4910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "proadifen-phenothiazine similarity", "source_label": "proadifen", "target_label": "phenothiazine", "cosine_similarity": 0.2613124847412109 } }, { "source": "CID:54653980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507299", "properties": { "id": "SA-1472321-SA-247636 similarity", "source_label": "SA-1472321", "target_label": "SA-247636", "cosine_similarity": 0.2806500196456909 } }, { "source": "CID:12801781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707482", "properties": { "id": "imipenem-vancomycin similarity", "source_label": "imipenem", "target_label": "vancomycin", "cosine_similarity": 0.2333624064922332 } }, { "source": "CID:2733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707508", "properties": { "id": "chlorzoxazone-lynestrenol similarity", "source_label": "chlorzoxazone", "target_label": "lynestrenol", "cosine_similarity": 0.2218044400215149 } }, { "source": "CID:54658832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44486991", "properties": { "id": "SA-1459256-SA-424577 similarity", "source_label": "SA-1459256", "target_label": "SA-424577", "cosine_similarity": 0.4180303812026977 } }, { "source": "CID:4336830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53276", "properties": { "id": "SC-19220-flupirtine similarity", "source_label": "SC-19220", "target_label": "flupirtine", "cosine_similarity": 0.221117690205574 } }, { "source": "CID:5329098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:643951", "properties": { "id": "semaxanib-necrostatin-1 similarity", "source_label": "semaxanib", "target_label": "necrostatin-1", "cosine_similarity": 0.2251612842082977 } }, { "source": "CID:688561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "procaterol-bucladesine similarity", "source_label": "procaterol", "target_label": "bucladesine", "cosine_similarity": 0.4138444364070892 } }, { "source": "CID:54658765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657678", "properties": { "id": "SA-1459849-SA-1456443 similarity", "source_label": "SA-1459849", "target_label": "SA-1456443", "cosine_similarity": 0.4526886641979217 } }, { "source": "CID:11360391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "A-769662-orphenadrine similarity", "source_label": "A-769662", "target_label": "orphenadrine", "cosine_similarity": 0.3723689913749695 } }, { "source": "CID:46218908", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "ONX-0914-NSC-632839 similarity", "source_label": "ONX-0914", "target_label": "NSC-632839", "cosine_similarity": 0.4678438603878021 } }, { "source": "CID:230748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "INCA-6-cerulenin similarity", "source_label": "INCA-6", "target_label": "cerulenin", "cosine_similarity": 0.4588801860809326 } }, { "source": "CID:44483325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "austricine-AR-A014418 similarity", "source_label": "austricine", "target_label": "AR-A014418", "cosine_similarity": 0.2925280928611755 } }, { "source": "CID:44602376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006067", "properties": { "id": "KU-C104127-parthenolide similarity", "source_label": "KU-C104127", "target_label": "parthenolide", "cosine_similarity": 0.2646255791187286 } }, { "source": "CID:5496659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5310966", "properties": { "id": "otamixaban-varenicline similarity", "source_label": "otamixaban", "target_label": "varenicline", "cosine_similarity": 0.4118094444274902 } }, { "source": "CID:53235510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "NVP-BGJ398-KIN001-055 similarity", "source_label": "NVP-BGJ398", "target_label": "KIN001-055", "cosine_similarity": 0.3863248527050018 } }, { "source": "CID:11868768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "androsterone-balicatib similarity", "source_label": "androsterone", "target_label": "balicatib", "cosine_similarity": 0.1720493882894516 } }, { "source": "CID:73707364", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849909", "properties": { "id": "I-212148-DM-161 similarity", "source_label": "I-212148", "target_label": "DM-161", "cosine_similarity": 0.2601836323738098 } }, { "source": "CID:5273569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "fraxetin-MW-MITF22 similarity", "source_label": "fraxetin", "target_label": "MW-MITF22", "cosine_similarity": 0.3054999709129333 } }, { "source": "CID:148198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "GMX-1778-carbamazepine similarity", "source_label": "GMX-1778", "target_label": "carbamazepine", "cosine_similarity": 0.536605179309845 } }, { "source": "CID:6001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "DMBA-mitomycin-c similarity", "source_label": "DMBA", "target_label": "mitomycin-c", "cosine_similarity": 0.3176575899124145 } }, { "source": "CID:124007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "CP-93129-SA-419090 similarity", "source_label": "CP-93129", "target_label": "SA-419090", "cosine_similarity": 0.2407028079032898 } }, { "source": "CID:2196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "aniracetam-iproniazid similarity", "source_label": "aniracetam", "target_label": "iproniazid", "cosine_similarity": 0.4338071644306183 } }, { "source": "CID:4217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "ML-9-promazine similarity", "source_label": "ML-9", "target_label": "promazine", "cosine_similarity": 0.295698881149292 } }, { "source": "CID:443389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "SB-221284-pregnenolone similarity", "source_label": "SB-221284", "target_label": "pregnenolone", "cosine_similarity": 0.2884802222251892 } }, { "source": "CID:3567002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "RS-100329-DAC-004 similarity", "source_label": "RS-100329", "target_label": "DAC-004", "cosine_similarity": 0.2932389676570892 } }, { "source": "CID:46931004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445070", "properties": { "id": "danoprevir-farnesol similarity", "source_label": "danoprevir", "target_label": "farnesol", "cosine_similarity": 0.2939737737178802 } }, { "source": "CID:5286239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "MW-MITF28-phenothiazine similarity", "source_label": "MW-MITF28", "target_label": "phenothiazine", "cosine_similarity": 0.438902735710144 } }, { "source": "CID:54668348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-1922975-SA-1939126 similarity", "source_label": "SA-1922975", "target_label": "SA-1939126", "cosine_similarity": 0.3616777956485748 } }, { "source": "CID:9953599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "GR-159897-FIT similarity", "source_label": "GR-159897", "target_label": "FIT", "cosine_similarity": 0.332444280385971 } }, { "source": "CID:16218996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "beclometasone-nadolol similarity", "source_label": "beclometasone", "target_label": "nadolol", "cosine_similarity": 0.3203091621398926 } }, { "source": "CID:72734382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2746", "properties": { "id": "HDAC3-selective-tacedinaline similarity", "source_label": "HDAC3-selective", "target_label": "tacedinaline", "cosine_similarity": 0.4806456863880157 } }, { "source": "CID:6918155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311412", "properties": { "id": "ciclesonide-rimexolone similarity", "source_label": "ciclesonide", "target_label": "rimexolone", "cosine_similarity": 0.7449632287025452 } }, { "source": "CID:71447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "talampicillin-UNC-0321 similarity", "source_label": "talampicillin", "target_label": "UNC-0321", "cosine_similarity": 0.2889676988124847 } }, { "source": "CID:129009963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "cabazitaxel-paclitaxel similarity", "source_label": "cabazitaxel", "target_label": "paclitaxel", "cosine_similarity": 0.8746248483657837 } }, { "source": "CID:49849932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5154691", "properties": { "id": "DM-163-NM-PP1 similarity", "source_label": "DM-163", "target_label": "NM-PP1", "cosine_similarity": 0.3010534942150116 } }, { "source": "CID:5537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610344", "properties": { "id": "trequinsin-forskolin similarity", "source_label": "trequinsin", "target_label": "forskolin", "cosine_similarity": 0.2095554322004318 } }, { "source": "CID:6918030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "GR-32191-thiazolopyrimidine similarity", "source_label": "GR-32191", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2798170447349548 } }, { "source": "CID:60190539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54617432", "properties": { "id": "SA-1939945-SA-424380 similarity", "source_label": "SA-1939945", "target_label": "SA-424380", "cosine_similarity": 0.3730769455432892 } }, { "source": "CID:22416236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "KU-C103655-EMF-sumo1-39 similarity", "source_label": "KU-C103655", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.382026731967926 } }, { "source": "CID:3310692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44473128", "properties": { "id": "leoidin-KU-C103672 similarity", "source_label": "leoidin", "target_label": "KU-C103672", "cosine_similarity": 0.235224038362503 } }, { "source": "CID:53340666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "ACY-1215-vorinostat similarity", "source_label": "ACY-1215", "target_label": "vorinostat", "cosine_similarity": 0.4727616608142853 } }, { "source": "CID:9934458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53377419", "properties": { "id": "GW-0742-BG-STK33-55 similarity", "source_label": "GW-0742", "target_label": "BG-STK33-55", "cosine_similarity": 0.2424874454736709 } }, { "source": "CID:439503", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "salicin-fatostatin similarity", "source_label": "salicin", "target_label": "fatostatin", "cosine_similarity": 0.3479464948177337 } }, { "source": "CID:24963252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "TAK-733-PD-0325901 similarity", "source_label": "TAK-733", "target_label": "PD-0325901", "cosine_similarity": 0.7699716687202454 } }, { "source": "CID:15547703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44462760", "properties": { "id": "tosedostat-dabrafenib similarity", "source_label": "tosedostat", "target_label": "dabrafenib", "cosine_similarity": 0.4534206688404083 } }, { "source": "CID:123964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006121", "properties": { "id": "ASA-404-lacitol similarity", "source_label": "ASA-404", "target_label": "lacitol", "cosine_similarity": 0.2842257916927337 } }, { "source": "CID:4500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "nisoxetine-methimazole similarity", "source_label": "nisoxetine", "target_label": "methimazole", "cosine_similarity": 0.3041028976440429 } }, { "source": "CID:4309557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3121", "properties": { "id": "tetramethyl-haematoxylone-valproic-acid similarity", "source_label": "tetramethyl-haematoxylone", "target_label": "valproic-acid", "cosine_similarity": 0.2649740576744079 } }, { "source": "CID:5280363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "dinoprost-apocynin similarity", "source_label": "dinoprost", "target_label": "apocynin", "cosine_similarity": 0.5462295413017273 } }, { "source": "CID:5280453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288783", "properties": { "id": "calcitriol-calcipotriol similarity", "source_label": "calcitriol", "target_label": "calcipotriol", "cosine_similarity": 0.7401182651519775 } }, { "source": "CID:453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "mannitol-thiazolopyrimidine similarity", "source_label": "mannitol", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.427560418844223 } }, { "source": "CID:2092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "alfuzosin-GW-9508 similarity", "source_label": "alfuzosin", "target_label": "GW-9508", "cosine_similarity": 0.2909994125366211 } }, { "source": "CID:5353633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5491", "properties": { "id": "farnesylthiotriazole-tetramethylsilane similarity", "source_label": "farnesylthiotriazole", "target_label": "tetramethylsilane", "cosine_similarity": 0.1980768889188766 } }, { "source": "CID:6605258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "CGK-733-AG-592 similarity", "source_label": "CGK-733", "target_label": "AG-592", "cosine_similarity": 0.6123374104499817 } }, { "source": "CID:1345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "PK-11195-enzalutamide similarity", "source_label": "PK-11195", "target_label": "enzalutamide", "cosine_similarity": 0.5300578474998474 } }, { "source": "CID:3336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "fendiline-DL-PDMP similarity", "source_label": "fendiline", "target_label": "DL-PDMP", "cosine_similarity": 0.331736147403717 } }, { "source": "CID:121892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "retigabine-DPCPX similarity", "source_label": "retigabine", "target_label": "DPCPX", "cosine_similarity": 0.2453324943780899 } }, { "source": "CID:3696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2160", "properties": { "id": "imipramine-amitriptyline similarity", "source_label": "imipramine", "target_label": "amitriptyline", "cosine_similarity": 0.4757463634014129 } }, { "source": "CID:46224413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "PF-03084014-apocynin similarity", "source_label": "PF-03084014", "target_label": "apocynin", "cosine_similarity": 0.5362388491630554 } }, { "source": "CID:44607587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "KU-C104141-zebularine similarity", "source_label": "KU-C104141", "target_label": "zebularine", "cosine_similarity": 0.2526884377002716 } }, { "source": "CID:7534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "eucatropine-DAC-009 similarity", "source_label": "eucatropine", "target_label": "DAC-009", "cosine_similarity": 0.2418323308229446 } }, { "source": "CID:31508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3792", "properties": { "id": "proquazone-itopride similarity", "source_label": "proquazone", "target_label": "itopride", "cosine_similarity": 0.2610840499401092 } }, { "source": "CID:44620034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-427604-SA-96805 similarity", "source_label": "SA-427604", "target_label": "SA-96805", "cosine_similarity": 0.4555554091930389 } }, { "source": "CID:54668627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667404", "properties": { "id": "SA-1922659-SA-1919877 similarity", "source_label": "SA-1922659", "target_label": "SA-1919877", "cosine_similarity": 0.4495798945426941 } }, { "source": "CID:5312114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "CGP-71683-RS-17053 similarity", "source_label": "CGP-71683", "target_label": "RS-17053", "cosine_similarity": 0.7310330867767334 } }, { "source": "CID:44386188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26879", "properties": { "id": "3-deazaadenosine-levamisole similarity", "source_label": "3-deazaadenosine", "target_label": "levamisole", "cosine_similarity": 0.2690274715423584 } }, { "source": "CID:5311309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "nateglinide-theobromine similarity", "source_label": "nateglinide", "target_label": "theobromine", "cosine_similarity": 0.5279129147529602 } }, { "source": "CID:60193939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657731", "properties": { "id": "SA-1939915-SA-1458689 similarity", "source_label": "SA-1939915", "target_label": "SA-1458689", "cosine_similarity": 0.3334510326385498 } }, { "source": "CID:70680401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "MW-SHH-250-ST-059620 similarity", "source_label": "MW-SHH-250", "target_label": "ST-059620", "cosine_similarity": 0.295157253742218 } }, { "source": "CID:5281718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4583", "properties": { "id": "polydatin-ofloxacin similarity", "source_label": "polydatin", "target_label": "ofloxacin", "cosine_similarity": 0.3496764302253723 } }, { "source": "CID:4658599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654609", "properties": { "id": "VU-0447134-2-SA-1463787 similarity", "source_label": "VU-0447134-2", "target_label": "SA-1463787", "cosine_similarity": 0.2495925724506378 } }, { "source": "CID:108107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "benzamil-perindopril similarity", "source_label": "benzamil", "target_label": "perindopril", "cosine_similarity": 0.3303465843200683 } }, { "source": "CID:44137675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227436", "properties": { "id": "AZD-6482-AZD-5363 similarity", "source_label": "AZD-6482", "target_label": "AZD-5363", "cosine_similarity": 0.6041476726531982 } }, { "source": "CID:1048845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "TCS-359-pepstatin similarity", "source_label": "TCS-359", "target_label": "pepstatin", "cosine_similarity": 0.4119582176208496 } }, { "source": "CID:3242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2802", "properties": { "id": "epirizole-clonazepam similarity", "source_label": "epirizole", "target_label": "clonazepam", "cosine_similarity": 0.3807089626789093 } }, { "source": "CID:6604471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "methiazole-D-64131 similarity", "source_label": "methiazole", "target_label": "D-64131", "cosine_similarity": 0.4710732698440552 } }, { "source": "CID:275510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6307", "properties": { "id": "NSC-119889-quinethazone similarity", "source_label": "NSC-119889", "target_label": "quinethazone", "cosine_similarity": 0.2013854384422302 } }, { "source": "CID:5029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16126898", "properties": { "id": "rabeprazole-VTP-27999 similarity", "source_label": "rabeprazole", "target_label": "VTP-27999", "cosine_similarity": 0.3847774267196655 } }, { "source": "CID:133008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:28693", "properties": { "id": "L-741742-metergoline similarity", "source_label": "L-741742", "target_label": "metergoline", "cosine_similarity": 0.3224697113037109 } }, { "source": "CID:11868768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2377", "properties": { "id": "androsterone-bifemelane similarity", "source_label": "androsterone", "target_label": "bifemelane", "cosine_similarity": 0.1666193604469299 } }, { "source": "CID:45281801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "VU-0365121-1-vincristine similarity", "source_label": "VU-0365121-1", "target_label": "vincristine", "cosine_similarity": 0.4320570230484009 } }, { "source": "CID:2131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156391", "properties": { "id": "ambenonium-naproxen similarity", "source_label": "ambenonium", "target_label": "naproxen", "cosine_similarity": 0.157750517129898 } }, { "source": "CID:40461270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "lenalidomide-fumonisin-b1 similarity", "source_label": "lenalidomide", "target_label": "fumonisin-b1", "cosine_similarity": 0.4940250515937805 } }, { "source": "CID:656765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "DCEBIO-alosetron similarity", "source_label": "DCEBIO", "target_label": "alosetron", "cosine_similarity": 0.2247252762317657 } }, { "source": "CID:4581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "octopamine-SA-1459167 similarity", "source_label": "octopamine", "target_label": "SA-1459167", "cosine_similarity": 0.2190786749124527 } }, { "source": "CID:54666566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "SA-1922257-disopyramide similarity", "source_label": "SA-1922257", "target_label": "disopyramide", "cosine_similarity": 0.2692421674728393 } }, { "source": "CID:54416524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "doxycycline-RAF-265 similarity", "source_label": "doxycycline", "target_label": "RAF-265", "cosine_similarity": 0.3819270730018616 } }, { "source": "CID:114924", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "tetradecylthioacetic-acid-AZD-7687 similarity", "source_label": "tetradecylthioacetic-acid", "target_label": "AZD-7687", "cosine_similarity": 0.3023441433906555 } }, { "source": "CID:6713958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033637", "properties": { "id": "vitexin-nizatidine similarity", "source_label": "vitexin", "target_label": "nizatidine", "cosine_similarity": 0.2782849371433258 } }, { "source": "CID:25124816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16725726", "properties": { "id": "GSK-1904529A-GSK-690693 similarity", "source_label": "GSK-1904529A", "target_label": "GSK-690693", "cosine_similarity": 0.3251278102397918 } }, { "source": "CID:3796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "KIN001-055-GSK-J2 similarity", "source_label": "KIN001-055", "target_label": "GSK-J2", "cosine_similarity": 0.6783984899520874 } }, { "source": "CID:1401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "PD-173074-niguldipine similarity", "source_label": "PD-173074", "target_label": "niguldipine", "cosine_similarity": 0.5086965560913086 } }, { "source": "CID:54657953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "SA-1456195-thalidomide similarity", "source_label": "SA-1456195", "target_label": "thalidomide", "cosine_similarity": 0.294057548046112 } }, { "source": "CID:51003717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "CVF-SUMO-13-SA-792709 similarity", "source_label": "CVF-SUMO-13", "target_label": "SA-792709", "cosine_similarity": 0.5749805569648743 } }, { "source": "CID:46843772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "XMD-892-I-BET-762 similarity", "source_label": "XMD-892", "target_label": "I-BET-762", "cosine_similarity": 0.6254202723503113 } }, { "source": "CID:2327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "benserazide-vinpocetine similarity", "source_label": "benserazide", "target_label": "vinpocetine", "cosine_similarity": 0.2281101644039154 } }, { "source": "CID:71226662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "acalabrutinib-rolipram similarity", "source_label": "acalabrutinib", "target_label": "rolipram", "cosine_similarity": 0.2938229441642761 } }, { "source": "CID:25295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "chloropyramine-SA-1455938 similarity", "source_label": "chloropyramine", "target_label": "SA-1455938", "cosine_similarity": 0.2552357017993927 } }, { "source": "CID:68210102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "GSK-2816126-ME-0328 similarity", "source_label": "GSK-2816126", "target_label": "ME-0328", "cosine_similarity": 0.4198769927024841 } }, { "source": "CID:16362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "pimozide-sertraline similarity", "source_label": "pimozide", "target_label": "sertraline", "cosine_similarity": 0.4692322611808777 } }, { "source": "CID:44607592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "KU-C104140-VU-0405172-2 similarity", "source_label": "KU-C104140", "target_label": "VU-0405172-2", "cosine_similarity": 0.3971159756183624 } }, { "source": "CID:51537051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4644", "properties": { "id": "LDN-57444-oxypurinol similarity", "source_label": "LDN-57444", "target_label": "oxypurinol", "cosine_similarity": 0.4537815153598785 } }, { "source": "CID:73707447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "lanatoside-c-cymarin similarity", "source_label": "lanatoside-c", "target_label": "cymarin", "cosine_similarity": 0.6083831191062927 } }, { "source": "CID:44617231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613797", "properties": { "id": "SA-424371-SA-440968 similarity", "source_label": "SA-424371", "target_label": "SA-440968", "cosine_similarity": 0.3156760632991791 } }, { "source": "CID:4262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4018512", "properties": { "id": "MT-21-2-phenylmelatonin similarity", "source_label": "MT-21", "target_label": "2-phenylmelatonin", "cosine_similarity": 0.2262102514505386 } }, { "source": "CID:4055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "menadione-STK-397047 similarity", "source_label": "menadione", "target_label": "STK-397047", "cosine_similarity": 0.4856604039669037 } }, { "source": "CID:54685921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4989", "properties": { "id": "hispidin-pyrantel similarity", "source_label": "hispidin", "target_label": "pyrantel", "cosine_similarity": 0.2262883186340332 } }, { "source": "CID:2894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "cyclazosin-CCT-031374 similarity", "source_label": "cyclazosin", "target_label": "CCT-031374", "cosine_similarity": 0.3431486487388611 } }, { "source": "CID:11707110", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "trametinib-AZD-8330 similarity", "source_label": "trametinib", "target_label": "AZD-8330", "cosine_similarity": 0.8794669508934021 } }, { "source": "CID:936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "nicotinamide-gatifloxacin similarity", "source_label": "nicotinamide", "target_label": "gatifloxacin", "cosine_similarity": 0.4095031917095184 } }, { "source": "CID:25105715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "CAY-10594-CCT-031374 similarity", "source_label": "CAY-10594", "target_label": "CCT-031374", "cosine_similarity": 0.8255056738853455 } }, { "source": "CID:3571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "HC-toxin-JNJ-26481585 similarity", "source_label": "HC-toxin", "target_label": "JNJ-26481585", "cosine_similarity": 0.8459713459014893 } }, { "source": "CID:214348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "deferasirox-TW-37 similarity", "source_label": "deferasirox", "target_label": "TW-37", "cosine_similarity": 0.3872248232364654 } }, { "source": "CID:5819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "levothyroxine-acifran similarity", "source_label": "levothyroxine", "target_label": "acifran", "cosine_similarity": 0.4144809246063232 } }, { "source": "CID:44488016", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "SA-94315-CAM-9-021 similarity", "source_label": "SA-94315", "target_label": "CAM-9-021", "cosine_similarity": 0.2793061733245849 } }, { "source": "CID:5288600", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "IC-261-D-64131 similarity", "source_label": "IC-261", "target_label": "D-64131", "cosine_similarity": 0.6060698628425598 } }, { "source": "CID:3690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "ifosfamide-dexloxiglumide similarity", "source_label": "ifosfamide", "target_label": "dexloxiglumide", "cosine_similarity": 0.7826117277145386 } }, { "source": "CID:6439848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2755", "properties": { "id": "eicosadienoic-acid-cimaterol similarity", "source_label": "eicosadienoic-acid", "target_label": "cimaterol", "cosine_similarity": 0.22737817466259 } }, { "source": "CID:72287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125312786", "properties": { "id": "levomepromazine-KIN001-244 similarity", "source_label": "levomepromazine", "target_label": "KIN001-244", "cosine_similarity": 0.2210666537284851 } }, { "source": "CID:123692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16211224", "properties": { "id": "CS-110266-6-hydroxytropinone similarity", "source_label": "CS-110266", "target_label": "6-hydroxytropinone", "cosine_similarity": 0.2833594083786011 } }, { "source": "CID:3455588", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "ST-4075437-VU-0405172-2 similarity", "source_label": "ST-4075437", "target_label": "VU-0405172-2", "cosine_similarity": 0.2726442813873291 } }, { "source": "CID:4059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710776", "properties": { "id": "mephenesin-nomilin similarity", "source_label": "mephenesin", "target_label": "nomilin", "cosine_similarity": 0.2163366228342056 } }, { "source": "CID:442897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "dubinidine-tetrahydrouridine similarity", "source_label": "dubinidine", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4919443130493164 } }, { "source": "CID:6049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "ethylenediaminetetraacetic-acid-nemonapride similarity", "source_label": "ethylenediaminetetraacetic-acid", "target_label": "nemonapride", "cosine_similarity": 0.3230819702148437 } }, { "source": "CID:23649154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131747", "properties": { "id": "tegobuvir-SR-57227A similarity", "source_label": "tegobuvir", "target_label": "SR-57227A", "cosine_similarity": 0.3606026768684387 } }, { "source": "CID:2820633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312531", "properties": { "id": "KM-04501-mead-acid similarity", "source_label": "KM-04501", "target_label": "mead-acid", "cosine_similarity": 0.263230949640274 } }, { "source": "CID:21700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918155", "properties": { "id": "beclomethasone-dipropionate-ciclesonide similarity", "source_label": "beclomethasone-dipropionate", "target_label": "ciclesonide", "cosine_similarity": 0.6263594031333923 } }, { "source": "CID:471161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5533", "properties": { "id": "maribavir-trazodone similarity", "source_label": "maribavir", "target_label": "trazodone", "cosine_similarity": 0.343910276889801 } }, { "source": "CID:24963252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "TAK-733-cobimetinib similarity", "source_label": "TAK-733", "target_label": "cobimetinib", "cosine_similarity": 0.80135178565979 } }, { "source": "CID:5656", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "venlafaxine-diethylcarbamazine similarity", "source_label": "venlafaxine", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3981553912162781 } }, { "source": "CID:156422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "doramapimod-valsartan similarity", "source_label": "doramapimod", "target_label": "valsartan", "cosine_similarity": 0.4339783489704132 } }, { "source": "CID:4201", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "minoxidil-gatifloxacin similarity", "source_label": "minoxidil", "target_label": "gatifloxacin", "cosine_similarity": 0.4103303551673889 } }, { "source": "CID:3177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9910224", "properties": { "id": "DUP-697-zibotentan similarity", "source_label": "DUP-697", "target_label": "zibotentan", "cosine_similarity": 0.255237340927124 } }, { "source": "CID:42618298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707350", "properties": { "id": "BG-1030-BG-1029 similarity", "source_label": "BG-1030", "target_label": "BG-1029", "cosine_similarity": 0.5901116728782654 } }, { "source": "CID:5281708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "daidzein-cortisone-acetate similarity", "source_label": "daidzein", "target_label": "cortisone-acetate", "cosine_similarity": 0.2790186405181885 } }, { "source": "CID:3001055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "ranitidine-CO-102862 similarity", "source_label": "ranitidine", "target_label": "CO-102862", "cosine_similarity": 0.4005846679210663 } }, { "source": "CID:2578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "carmustine-mirtazapine similarity", "source_label": "carmustine", "target_label": "mirtazapine", "cosine_similarity": 0.3156064450740814 } }, { "source": "CID:4101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60947", "properties": { "id": "methenamine-tirofiban similarity", "source_label": "methenamine", "target_label": "tirofiban", "cosine_similarity": 0.2209159135818481 } }, { "source": "CID:4636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3672", "properties": { "id": "oxymetazoline-ibuprofen similarity", "source_label": "oxymetazoline", "target_label": "ibuprofen", "cosine_similarity": 0.3134422302246094 } }, { "source": "CID:15548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4740", "properties": { "id": "laudanosine-pentoxifylline similarity", "source_label": "laudanosine", "target_label": "pentoxifylline", "cosine_similarity": 0.269210934638977 } }, { "source": "CID:45259136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281912", "properties": { "id": "VU-0415010-prostaglandin-a1 similarity", "source_label": "VU-0415010", "target_label": "prostaglandin-a1", "cosine_similarity": 0.314046174287796 } }, { "source": "CID:1054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707504", "properties": { "id": "pyridoxine-etiocholanolone similarity", "source_label": "pyridoxine", "target_label": "etiocholanolone", "cosine_similarity": 0.2232128977775573 } }, { "source": "CID:11338033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "AT-7519-alvocidib similarity", "source_label": "AT-7519", "target_label": "alvocidib", "cosine_similarity": 0.6892562508583069 } }, { "source": "CID:1403142", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "biochanin-a-cortisone-acetate similarity", "source_label": "biochanin-a", "target_label": "cortisone-acetate", "cosine_similarity": 0.3212942481040954 } }, { "source": "CID:16773791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16793302", "properties": { "id": "BG-1032-BG-1016 similarity", "source_label": "BG-1032", "target_label": "BG-1016", "cosine_similarity": 0.5889011025428772 } }, { "source": "CID:24788740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "GDC-0068-PI-103 similarity", "source_label": "GDC-0068", "target_label": "PI-103", "cosine_similarity": 0.5929898619651794 } }, { "source": "CID:33630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "penfluridol-BMY-14802 similarity", "source_label": "penfluridol", "target_label": "BMY-14802", "cosine_similarity": 0.4560787975788116 } }, { "source": "CID:24795070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:160020", "properties": { "id": "SGI-1776-tetrindole similarity", "source_label": "SGI-1776", "target_label": "tetrindole", "cosine_similarity": 0.4727925360202789 } }, { "source": "CID:5584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "trimipramine-balicatib similarity", "source_label": "trimipramine", "target_label": "balicatib", "cosine_similarity": 0.4422347545623779 } }, { "source": "CID:3025961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328748", "properties": { "id": "MPEP-AG-370 similarity", "source_label": "MPEP", "target_label": "AG-370", "cosine_similarity": 0.2055099755525589 } }, { "source": "CID:9830392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "WAY-170523-TW-37 similarity", "source_label": "WAY-170523", "target_label": "TW-37", "cosine_similarity": 0.6259932518005371 } }, { "source": "CID:11313361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57364", "properties": { "id": "JNJ-16259685-carmoxirole similarity", "source_label": "JNJ-16259685", "target_label": "carmoxirole", "cosine_similarity": 0.2409377545118332 } }, { "source": "CID:44907124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1797", "properties": { "id": "VU-0413247-1-5-nonyloxytryptamine similarity", "source_label": "VU-0413247-1", "target_label": "5-nonyloxytryptamine", "cosine_similarity": 0.2506941258907318 } }, { "source": "CID:72894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2148", "properties": { "id": "2-aminobenzenesulfonamide-aminohippuric-acid similarity", "source_label": "2-aminobenzenesulfonamide", "target_label": "aminohippuric-acid", "cosine_similarity": 0.2917101383209228 } }, { "source": "CID:641785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "cardamonin-SA-792709 similarity", "source_label": "cardamonin", "target_label": "SA-792709", "cosine_similarity": 0.3023093938827514 } }, { "source": "CID:443879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "tolterodine-fananserin similarity", "source_label": "tolterodine", "target_label": "fananserin", "cosine_similarity": 0.148581713438034 } }, { "source": "CID:23777784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "UGISS-186-7-nitroindazole similarity", "source_label": "UGISS-186", "target_label": "7-nitroindazole", "cosine_similarity": 0.2799288332462311 } }, { "source": "CID:2435", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "brimonidine-mesoridazine similarity", "source_label": "brimonidine", "target_label": "mesoridazine", "cosine_similarity": 0.3176430463790893 } }, { "source": "CID:3969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "tomelukast-naftifine similarity", "source_label": "tomelukast", "target_label": "naftifine", "cosine_similarity": 0.4541840851306915 } }, { "source": "CID:3921152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4122", "properties": { "id": "D-64131-nocodazole similarity", "source_label": "D-64131", "target_label": "nocodazole", "cosine_similarity": 0.863551914691925 } }, { "source": "CID:2894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24772043", "properties": { "id": "cyclazosin-tenovin-6 similarity", "source_label": "cyclazosin", "target_label": "tenovin-6", "cosine_similarity": 0.3278397619724273 } }, { "source": "CID:50599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4331799", "properties": { "id": "didanosine-SB-408124 similarity", "source_label": "didanosine", "target_label": "SB-408124", "cosine_similarity": 0.1883294582366943 } }, { "source": "CID:11689883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "omecamtiv-mecarbil-setiptiline similarity", "source_label": "omecamtiv-mecarbil", "target_label": "setiptiline", "cosine_similarity": 0.4971054196357727 } }, { "source": "CID:44505892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54615019", "properties": { "id": "SA-419090-SA-424827 similarity", "source_label": "SA-419090", "target_label": "SA-424827", "cosine_similarity": 0.3761121332645416 } }, { "source": "CID:6710772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "lysylphenylalanyl-tyrosine-evodiamine similarity", "source_label": "lysylphenylalanyl-tyrosine", "target_label": "evodiamine", "cosine_similarity": 0.3271592259407043 } }, { "source": "CID:1417813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "MW-STK33-1A-MW-MITF22 similarity", "source_label": "MW-STK33-1A", "target_label": "MW-MITF22", "cosine_similarity": 0.337380588054657 } }, { "source": "CID:5288783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "calcipotriol-DL-PDMP similarity", "source_label": "calcipotriol", "target_label": "DL-PDMP", "cosine_similarity": 0.3681730926036834 } }, { "source": "CID:5850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492524", "properties": { "id": "pentolinium-SA-242939 similarity", "source_label": "pentolinium", "target_label": "SA-242939", "cosine_similarity": 0.2029143273830413 } }, { "source": "CID:73707350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1029-BG-1003 similarity", "source_label": "BG-1029", "target_label": "BG-1003", "cosine_similarity": 0.5454310774803162 } }, { "source": "CID:44506630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507247", "properties": { "id": "SA-247384-SA-1017940 similarity", "source_label": "SA-247384", "target_label": "SA-1017940", "cosine_similarity": 0.4996105432510376 } }, { "source": "CID:3827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "ketotifen-ABT-202 similarity", "source_label": "ketotifen", "target_label": "ABT-202", "cosine_similarity": 0.3878834545612335 } }, { "source": "CID:22752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "lobendazole-selinidin similarity", "source_label": "lobendazole", "target_label": "selinidin", "cosine_similarity": 0.266814649105072 } }, { "source": "CID:23729157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "tirasemtiv-sarcosine similarity", "source_label": "tirasemtiv", "target_label": "sarcosine", "cosine_similarity": 0.5276234745979309 } }, { "source": "CID:23846563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6185", "properties": { "id": "helveticoside-strophanthidin similarity", "source_label": "helveticoside", "target_label": "strophanthidin", "cosine_similarity": 0.6628486514091492 } }, { "source": "CID:2356", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "bergenin-ajmaline similarity", "source_label": "bergenin", "target_label": "ajmaline", "cosine_similarity": 0.2471200376749038 } }, { "source": "CID:650361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "ASN-05257430-BMS-191011 similarity", "source_label": "ASN-05257430", "target_label": "BMS-191011", "cosine_similarity": 0.5657726526260376 } }, { "source": "CID:9849616", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "SR-147778-fumonisin-b1 similarity", "source_label": "SR-147778", "target_label": "fumonisin-b1", "cosine_similarity": 0.2169916927814483 } }, { "source": "CID:54658765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-1459849-SA-1921996 similarity", "source_label": "SA-1459849", "target_label": "SA-1921996", "cosine_similarity": 0.3548628091812134 } }, { "source": "CID:41781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5205", "properties": { "id": "torasemide-setiptiline similarity", "source_label": "torasemide", "target_label": "setiptiline", "cosine_similarity": 0.4100866019725799 } }, { "source": "CID:4078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "mesoridazine-dropropizine similarity", "source_label": "mesoridazine", "target_label": "dropropizine", "cosine_similarity": 0.360763281583786 } }, { "source": "CID:5283731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "calcifediol-glutamine similarity", "source_label": "calcifediol", "target_label": "glutamine", "cosine_similarity": 0.2297391146421432 } }, { "source": "CID:9926791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "tofacitinib-L-ergothioneine similarity", "source_label": "tofacitinib", "target_label": "L-ergothioneine", "cosine_similarity": 0.6647912263870239 } }, { "source": "CID:3078519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2949965", "properties": { "id": "7-hydroxystaurosporine-importazole similarity", "source_label": "7-hydroxystaurosporine", "target_label": "importazole", "cosine_similarity": 0.3391218185424804 } }, { "source": "CID:49835877", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8982", "properties": { "id": "BJM-AF-64-nafcillin similarity", "source_label": "BJM-AF-64", "target_label": "nafcillin", "cosine_similarity": 0.2629865109920501 } }, { "source": "CID:9547215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "bufalin-ouabain similarity", "source_label": "bufalin", "target_label": "ouabain", "cosine_similarity": 0.9049561619758606 } }, { "source": "CID:4914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "procaine-mecamylamine similarity", "source_label": "procaine", "target_label": "mecamylamine", "cosine_similarity": 0.3282521963119507 } }, { "source": "CID:54666597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-1920890-SA-1939915 similarity", "source_label": "SA-1920890", "target_label": "SA-1939915", "cosine_similarity": 0.2758376896381378 } }, { "source": "CID:5221450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7020214", "properties": { "id": "BML-286-Val-Val-Val similarity", "source_label": "BML-286", "target_label": "Val-Val-Val", "cosine_similarity": 0.2937774062156677 } }, { "source": "CID:54658651", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-1456170-SA-1455938 similarity", "source_label": "SA-1456170", "target_label": "SA-1455938", "cosine_similarity": 0.4284102916717529 } }, { "source": "CID:72947407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "MD-049-SA-1447005 similarity", "source_label": "MD-049", "target_label": "SA-1447005", "cosine_similarity": 0.7706981301307678 } }, { "source": "CID:123618", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467", "properties": { "id": "tecastemizole-tiapride similarity", "source_label": "tecastemizole", "target_label": "tiapride", "cosine_similarity": 0.3891034424304962 } }, { "source": "CID:3406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4032", "properties": { "id": "fomepizole-mecamylamine similarity", "source_label": "fomepizole", "target_label": "mecamylamine", "cosine_similarity": 0.4020614326000213 } }, { "source": "CID:441290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "rocuronium-mirtazapine similarity", "source_label": "rocuronium", "target_label": "mirtazapine", "cosine_similarity": 0.4307906031608581 } }, { "source": "CID:3373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10235", "properties": { "id": "flumazenil-cytisine similarity", "source_label": "flumazenil", "target_label": "cytisine", "cosine_similarity": 0.235007643699646 } }, { "source": "CID:1204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "epibatidine-SB-683698 similarity", "source_label": "epibatidine", "target_label": "SB-683698", "cosine_similarity": 0.2937782704830169 } }, { "source": "CID:44618423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4289", "properties": { "id": "SD-6-035-A1-Ro-16-6941 similarity", "source_label": "SD-6-035-A1", "target_label": "Ro-16-6941", "cosine_similarity": 0.2465042620897293 } }, { "source": "CID:2719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "chloroquine-FTI-276 similarity", "source_label": "chloroquine", "target_label": "FTI-276", "cosine_similarity": 0.4839811325073242 } }, { "source": "CID:6604763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4632", "properties": { "id": "ICI-192605-oxybenzone similarity", "source_label": "ICI-192605", "target_label": "oxybenzone", "cosine_similarity": 0.4199284017086029 } }, { "source": "CID:60164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "adapalene-SR-33805 similarity", "source_label": "adapalene", "target_label": "SR-33805", "cosine_similarity": 0.4290278851985931 } }, { "source": "CID:6610353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "staurosporine-alvocidib similarity", "source_label": "staurosporine", "target_label": "alvocidib", "cosine_similarity": 0.5804060101509094 } }, { "source": "CID:568416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "droxinostat-ISOX similarity", "source_label": "droxinostat", "target_label": "ISOX", "cosine_similarity": 0.6114383339881897 } }, { "source": "CID:55283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9850876", "properties": { "id": "itraconazole-SR-33805 similarity", "source_label": "itraconazole", "target_label": "SR-33805", "cosine_similarity": 0.3208085298538208 } }, { "source": "CID:3005573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2170", "properties": { "id": "toremifene-amoxapine similarity", "source_label": "toremifene", "target_label": "amoxapine", "cosine_similarity": 0.4189513623714447 } }, { "source": "CID:11595431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:260972", "properties": { "id": "GW-9508-EMF-sumo1-8 similarity", "source_label": "GW-9508", "target_label": "EMF-sumo1-8", "cosine_similarity": 0.3599187731742859 } }, { "source": "CID:9934347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317162", "properties": { "id": "NVP-TAE226-GSK-1059615 similarity", "source_label": "NVP-TAE226", "target_label": "GSK-1059615", "cosine_similarity": 0.5901510119438171 } }, { "source": "CID:54686939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "dihydrorobustic-acid-UNC-0321 similarity", "source_label": "dihydrorobustic-acid", "target_label": "UNC-0321", "cosine_similarity": 0.3299044668674469 } }, { "source": "CID:68071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "pinocembrin-JZL-184 similarity", "source_label": "pinocembrin", "target_label": "JZL-184", "cosine_similarity": 0.3245317339897156 } }, { "source": "CID:6710741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5962587", "properties": { "id": "baeomycesic-acid-triacetylresveratrol similarity", "source_label": "baeomycesic-acid", "target_label": "triacetylresveratrol", "cosine_similarity": 0.2355430722236633 } }, { "source": "CID:5912039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "huperzine-a-DAC-012 similarity", "source_label": "huperzine-a", "target_label": "DAC-012", "cosine_similarity": 0.3050452172756195 } }, { "source": "CID:5353962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9363", "properties": { "id": "ST-638-etamivan similarity", "source_label": "ST-638", "target_label": "etamivan", "cosine_similarity": 0.2390116751194 } }, { "source": "CID:2351", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4746", "properties": { "id": "bepridil-perhexiline similarity", "source_label": "bepridil", "target_label": "perhexiline", "cosine_similarity": 0.3362387120723724 } }, { "source": "CID:5280445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2161", "properties": { "id": "luteolin-amlexanox similarity", "source_label": "luteolin", "target_label": "amlexanox", "cosine_similarity": 0.3282099068164825 } }, { "source": "CID:729859", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "CTB-UNC-1215 similarity", "source_label": "CTB", "target_label": "UNC-1215", "cosine_similarity": 0.3905428051948547 } }, { "source": "CID:10410894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42623900", "properties": { "id": "LE-135-QS-11 similarity", "source_label": "LE-135", "target_label": "QS-11", "cosine_similarity": 0.4214783310890198 } }, { "source": "CID:5278396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "KU-55933-CV-1808 similarity", "source_label": "KU-55933", "target_label": "CV-1808", "cosine_similarity": 0.3636505603790283 } }, { "source": "CID:16363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5319", "properties": { "id": "benperidol-sulfabenzamide similarity", "source_label": "benperidol", "target_label": "sulfabenzamide", "cosine_similarity": 0.2231120467185974 } }, { "source": "CID:5450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "thioperamide-AICA-ribonucleotide similarity", "source_label": "thioperamide", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2792714238166809 } }, { "source": "CID:60953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "capecitabine-lorcaserin similarity", "source_label": "capecitabine", "target_label": "lorcaserin", "cosine_similarity": 0.3972527682781219 } }, { "source": "CID:46700756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "LY-2606368-cephaeline similarity", "source_label": "LY-2606368", "target_label": "cephaeline", "cosine_similarity": 0.4537827670574188 } }, { "source": "CID:3162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "doxylamine-Gossypetin similarity", "source_label": "doxylamine", "target_label": "Gossypetin", "cosine_similarity": 0.3544808328151703 } }, { "source": "CID:131411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3955", "properties": { "id": "arbidol-loperamide similarity", "source_label": "arbidol", "target_label": "loperamide", "cosine_similarity": 0.3243497610092163 } }, { "source": "CID:68186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40486", "properties": { "id": "spiramide-A-23187 similarity", "source_label": "spiramide", "target_label": "A-23187", "cosine_similarity": 0.5638418793678284 } }, { "source": "CID:3545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "C-1-pepstatin similarity", "source_label": "C-1", "target_label": "pepstatin", "cosine_similarity": 0.3899794220924377 } }, { "source": "CID:11467730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24880028", "properties": { "id": "BMS-509744-ALW-II-38-3 similarity", "source_label": "BMS-509744", "target_label": "ALW-II-38-3", "cosine_similarity": 0.2595500349998474 } }, { "source": "CID:5572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:842059", "properties": { "id": "trihexyphenidyl-BG-1023 similarity", "source_label": "trihexyphenidyl", "target_label": "BG-1023", "cosine_similarity": 0.2173858284950256 } }, { "source": "CID:442912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7972413", "properties": { "id": "hydroquinidine-KB188-III-56 similarity", "source_label": "hydroquinidine", "target_label": "KB188-III-56", "cosine_similarity": 0.2218772768974304 } }, { "source": "CID:154257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "bazedoxifene-vandetanib similarity", "source_label": "bazedoxifene", "target_label": "vandetanib", "cosine_similarity": 0.390939325094223 } }, { "source": "CID:658169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "ST-4028268-L-ergothioneine similarity", "source_label": "ST-4028268", "target_label": "L-ergothioneine", "cosine_similarity": 0.4726964235305786 } }, { "source": "CID:46943243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3579902", "properties": { "id": "VU-0424182-2-KU-C103874 similarity", "source_label": "VU-0424182-2", "target_label": "KU-C103874", "cosine_similarity": 0.2565991878509521 } }, { "source": "CID:4423767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "STK-674938-myricetin similarity", "source_label": "STK-674938", "target_label": "myricetin", "cosine_similarity": 0.3870671689510345 } }, { "source": "CID:1780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "eicosatetraynoic-acid-thiazolopyrimidine similarity", "source_label": "eicosatetraynoic-acid", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.3096509575843811 } }, { "source": "CID:15074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442424", "properties": { "id": "isonicotinamide-genipin similarity", "source_label": "isonicotinamide", "target_label": "genipin", "cosine_similarity": 0.2538827359676361 } }, { "source": "CID:374536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "RITA-topotecan similarity", "source_label": "RITA", "target_label": "topotecan", "cosine_similarity": 0.4447871446609497 } }, { "source": "CID:60192484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-1925621-SA-1938867 similarity", "source_label": "SA-1925621", "target_label": "SA-1938867", "cosine_similarity": 0.3313029408454895 } }, { "source": "CID:5468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "tiaprofenic-acid-anandamide similarity", "source_label": "tiaprofenic-acid", "target_label": "anandamide", "cosine_similarity": 0.2224468886852264 } }, { "source": "CID:16667717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "alclometasone-methylprednisolone similarity", "source_label": "alclometasone", "target_label": "methylprednisolone", "cosine_similarity": 0.3930011093616485 } }, { "source": "CID:5488645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4631", "properties": { "id": "latamoxef-oxprenolol similarity", "source_label": "latamoxef", "target_label": "oxprenolol", "cosine_similarity": 0.2183808982372284 } }, { "source": "CID:44498186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "SD-6-035-B1-DAC-003 similarity", "source_label": "SD-6-035-B1", "target_label": "DAC-003", "cosine_similarity": 0.2912607789039612 } }, { "source": "CID:5359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "suprofen-mirtazapine similarity", "source_label": "suprofen", "target_label": "mirtazapine", "cosine_similarity": 0.3438776433467865 } }, { "source": "CID:2064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "AG-957-SA-792709 similarity", "source_label": "AG-957", "target_label": "SA-792709", "cosine_similarity": 0.6163130402565002 } }, { "source": "CID:2474", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "bupivacaine-histamine similarity", "source_label": "bupivacaine", "target_label": "histamine", "cosine_similarity": 0.4316717386245727 } }, { "source": "CID:6575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3645619", "properties": { "id": "trichloroethylene-PD-168077 similarity", "source_label": "trichloroethylene", "target_label": "PD-168077", "cosine_similarity": 0.2807453274726867 } }, { "source": "CID:6444692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9939609", "properties": { "id": "mubritinib-darapladib similarity", "source_label": "mubritinib", "target_label": "darapladib", "cosine_similarity": 0.3438560366630554 } }, { "source": "CID:5281707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439620", "properties": { "id": "coumestrol-oxalomalic-acid similarity", "source_label": "coumestrol", "target_label": "oxalomalic-acid", "cosine_similarity": 0.3077112734317779 } }, { "source": "CID:50312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "fiacitabine-cianidanol similarity", "source_label": "fiacitabine", "target_label": "cianidanol", "cosine_similarity": 0.2927298843860626 } }, { "source": "CID:2830510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4813", "properties": { "id": "salubrinal-piceatannol similarity", "source_label": "salubrinal", "target_label": "piceatannol", "cosine_similarity": 0.3486237525939941 } }, { "source": "CID:4910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943258", "properties": { "id": "proadifen-VU-0424206-1 similarity", "source_label": "proadifen", "target_label": "VU-0424206-1", "cosine_similarity": 0.2604984641075134 } }, { "source": "CID:5281565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "kawain-PT-630 similarity", "source_label": "kawain", "target_label": "PT-630", "cosine_similarity": 0.2682453393936157 } }, { "source": "CID:5282272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "anandamide-AZD-7687 similarity", "source_label": "anandamide", "target_label": "AZD-7687", "cosine_similarity": 0.5165819525718689 } }, { "source": "CID:42760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25183872", "properties": { "id": "olvanil-ixazomib similarity", "source_label": "olvanil", "target_label": "ixazomib", "cosine_similarity": 0.2832289338111877 } }, { "source": "CID:11960529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "veliparib-AG-14361 similarity", "source_label": "veliparib", "target_label": "AG-14361", "cosine_similarity": 0.4595708847045898 } }, { "source": "CID:4830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "pipamperone-tetrahydrouridine similarity", "source_label": "pipamperone", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4450201392173767 } }, { "source": "CID:9829523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11640390", "properties": { "id": "midostaurin-linsitinib similarity", "source_label": "midostaurin", "target_label": "linsitinib", "cosine_similarity": 0.4469042420387268 } }, { "source": "CID:20299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8796093", "properties": { "id": "tridihexethyl-KU-C103881 similarity", "source_label": "tridihexethyl", "target_label": "KU-C103881", "cosine_similarity": 0.2998597621917724 } }, { "source": "CID:3463933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487597", "properties": { "id": "FH-535-SA-440832 similarity", "source_label": "FH-535", "target_label": "SA-440832", "cosine_similarity": 0.1742279678583145 } }, { "source": "CID:5283454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4688", "properties": { "id": "oleoylethanolamide-pargyline similarity", "source_label": "oleoylethanolamide", "target_label": "pargyline", "cosine_similarity": 0.3409169614315033 } }, { "source": "CID:4350931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54613797", "properties": { "id": "LE-300-SA-440968 similarity", "source_label": "LE-300", "target_label": "SA-440968", "cosine_similarity": 0.2557296752929687 } }, { "source": "CID:334704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "marmesin-T-5345967 similarity", "source_label": "marmesin", "target_label": "T-5345967", "cosine_similarity": 0.2935126423835754 } }, { "source": "CID:46926350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "dinaciclib-alvocidib similarity", "source_label": "dinaciclib", "target_label": "alvocidib", "cosine_similarity": 0.8189011216163635 } }, { "source": "CID:512292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "iso-olomoucine-AICA-ribonucleotide similarity", "source_label": "iso-olomoucine", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2100894451141357 } }, { "source": "CID:6035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "broxuridine-cholic-acid similarity", "source_label": "broxuridine", "target_label": "cholic-acid", "cosine_similarity": 0.2479376196861267 } }, { "source": "CID:5339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "sulfasalazine-pirfenidone similarity", "source_label": "sulfasalazine", "target_label": "pirfenidone", "cosine_similarity": 0.317241758108139 } }, { "source": "CID:2406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "bithionol-tyrphostin-A9 similarity", "source_label": "bithionol", "target_label": "tyrphostin-A9", "cosine_similarity": 0.7095934152603149 } }, { "source": "CID:129010068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441728", "properties": { "id": "limonin-deltaline similarity", "source_label": "limonin", "target_label": "deltaline", "cosine_similarity": 0.2647831439971924 } }, { "source": "CID:11296583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931007", "properties": { "id": "pirarubicin-daunorubicin similarity", "source_label": "pirarubicin", "target_label": "daunorubicin", "cosine_similarity": 0.671800434589386 } }, { "source": "CID:6610273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "C2-dihydroceramide-gliclazide similarity", "source_label": "C2-dihydroceramide", "target_label": "gliclazide", "cosine_similarity": 0.3987631797790527 } }, { "source": "CID:44640178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:363863", "properties": { "id": "KU-C104488-maackiain similarity", "source_label": "KU-C104488", "target_label": "maackiain", "cosine_similarity": 0.2868920862674713 } }, { "source": "CID:54653980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186973", "properties": { "id": "SA-1472321-SA-1938111 similarity", "source_label": "SA-1472321", "target_label": "SA-1938111", "cosine_similarity": 0.3036396503448486 } }, { "source": "CID:73707411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "treprostinil-zolpidem similarity", "source_label": "treprostinil", "target_label": "zolpidem", "cosine_similarity": 0.2746414840221405 } }, { "source": "CID:44620034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494796", "properties": { "id": "SA-427604-SA-97378 similarity", "source_label": "SA-427604", "target_label": "SA-97378", "cosine_similarity": 0.3898279368877411 } }, { "source": "CID:632854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "ST-012030-amikacin similarity", "source_label": "ST-012030", "target_label": "amikacin", "cosine_similarity": 0.3251625001430511 } }, { "source": "CID:4034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24776445", "properties": { "id": "meclizine-vismodegib similarity", "source_label": "meclizine", "target_label": "vismodegib", "cosine_similarity": 0.4287659823894501 } }, { "source": "CID:91522200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "benidipine-RJC-00245SC similarity", "source_label": "benidipine", "target_label": "RJC-00245SC", "cosine_similarity": 0.2085517346858978 } }, { "source": "CID:44557636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "dipraglurant-nafamostat similarity", "source_label": "dipraglurant", "target_label": "nafamostat", "cosine_similarity": 0.3902353346347809 } }, { "source": "CID:14403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "aflatoxin-b1-SN-38 similarity", "source_label": "aflatoxin-b1", "target_label": "SN-38", "cosine_similarity": 0.4463414847850799 } }, { "source": "CID:3397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "flutamide-BMS-191011 similarity", "source_label": "flutamide", "target_label": "BMS-191011", "cosine_similarity": 0.5103785395622253 } }, { "source": "CID:5319", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "sulfabenzamide-drofenine similarity", "source_label": "sulfabenzamide", "target_label": "drofenine", "cosine_similarity": 0.3181822597980499 } }, { "source": "CID:119607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4735", "properties": { "id": "valdecoxib-pentamidine similarity", "source_label": "valdecoxib", "target_label": "pentamidine", "cosine_similarity": 0.4157508313655853 } }, { "source": "CID:45006067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "parthenolide-manumycin-a similarity", "source_label": "parthenolide", "target_label": "manumycin-a", "cosine_similarity": 0.7182825207710266 } }, { "source": "CID:4884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "pralidoxime-GSK-J2 similarity", "source_label": "pralidoxime", "target_label": "GSK-J2", "cosine_similarity": 0.2736761271953583 } }, { "source": "CID:72385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "nonoxynol-9-NNC-55-0396 similarity", "source_label": "nonoxynol-9", "target_label": "NNC-55-0396", "cosine_similarity": 0.5774539709091187 } }, { "source": "CID:2763", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6280", "properties": { "id": "ciprofibrate-veratridine similarity", "source_label": "ciprofibrate", "target_label": "veratridine", "cosine_similarity": 0.2349941432476043 } }, { "source": "CID:2894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "cyclazosin-UNC-0638 similarity", "source_label": "cyclazosin", "target_label": "UNC-0638", "cosine_similarity": 0.3314546048641205 } }, { "source": "CID:446598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "clindamycin-acifran similarity", "source_label": "clindamycin", "target_label": "acifran", "cosine_similarity": 0.3919845521450043 } }, { "source": "CID:135886612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "DAC-003-DAC-004 similarity", "source_label": "DAC-003", "target_label": "DAC-004", "cosine_similarity": 0.7083097696304321 } }, { "source": "CID:25105715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "CAY-10594-UNC-0638 similarity", "source_label": "CAY-10594", "target_label": "UNC-0638", "cosine_similarity": 0.711336612701416 } }, { "source": "CID:3293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155982217", "properties": { "id": "ethoxyquin-monensin similarity", "source_label": "ethoxyquin", "target_label": "monensin", "cosine_similarity": 0.2357835471630096 } }, { "source": "CID:2140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "diatrizoic-acid-selinidin similarity", "source_label": "diatrizoic-acid", "target_label": "selinidin", "cosine_similarity": 0.282193511724472 } }, { "source": "CID:5702265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10748", "properties": { "id": "colforsin-herniarin similarity", "source_label": "colforsin", "target_label": "herniarin", "cosine_similarity": 0.2974618673324585 } }, { "source": "CID:54616417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186762", "properties": { "id": "SA-424755-SA-1939126 similarity", "source_label": "SA-424755", "target_label": "SA-1939126", "cosine_similarity": 0.2480498552322387 } }, { "source": "CID:3335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "fenbufen-fumonisin-b1 similarity", "source_label": "fenbufen", "target_label": "fumonisin-b1", "cosine_similarity": 0.3186627924442291 } }, { "source": "CID:44623946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "N-6022-finasteride similarity", "source_label": "N-6022", "target_label": "finasteride", "cosine_similarity": 0.559285581111908 } }, { "source": "CID:1361332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "SMI-4a-CV-1808 similarity", "source_label": "SMI-4a", "target_label": "CV-1808", "cosine_similarity": 0.3128857910633087 } }, { "source": "CID:197033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3765", "properties": { "id": "latrepirdine-isoguvacine similarity", "source_label": "latrepirdine", "target_label": "isoguvacine", "cosine_similarity": 0.18339803814888 } }, { "source": "CID:5311042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "CGP-55845-AICA-ribonucleotide similarity", "source_label": "CGP-55845", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.317944586277008 } }, { "source": "CID:5479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "tinidazole-DR-2313 similarity", "source_label": "tinidazole", "target_label": "DR-2313", "cosine_similarity": 0.2388979494571685 } }, { "source": "CID:2993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "dequalinium-RAF-265 similarity", "source_label": "dequalinium", "target_label": "RAF-265", "cosine_similarity": 0.4575265645980835 } }, { "source": "CID:22565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4592", "properties": { "id": "aminopentamide-olomoucine similarity", "source_label": "aminopentamide", "target_label": "olomoucine", "cosine_similarity": 0.2904222309589386 } }, { "source": "CID:3571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "HC-toxin-vorinostat similarity", "source_label": "HC-toxin", "target_label": "vorinostat", "cosine_similarity": 0.8781471848487854 } }, { "source": "CID:3645619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "PD-168077-carbon-tetrachloride similarity", "source_label": "PD-168077", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.2906542122364044 } }, { "source": "CID:1830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "5-iodotubercidin-alvocidib similarity", "source_label": "5-iodotubercidin", "target_label": "alvocidib", "cosine_similarity": 0.6683643460273743 } }, { "source": "CID:2088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "alendronic-acid-DAC-012 similarity", "source_label": "alendronic-acid", "target_label": "DAC-012", "cosine_similarity": 0.2346005141735077 } }, { "source": "CID:9801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "prenylamine-alosetron similarity", "source_label": "prenylamine", "target_label": "alosetron", "cosine_similarity": 0.2598099410533905 } }, { "source": "CID:11511120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "dacomitinib-ponatinib similarity", "source_label": "dacomitinib", "target_label": "ponatinib", "cosine_similarity": 0.4932430982589721 } }, { "source": "CID:44246499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "TEPP-46-marbofloxacin similarity", "source_label": "TEPP-46", "target_label": "marbofloxacin", "cosine_similarity": 0.325882226228714 } }, { "source": "CID:3081027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443872", "properties": { "id": "OCO-1112-eplerenone similarity", "source_label": "OCO-1112", "target_label": "eplerenone", "cosine_similarity": 0.3305340111255646 } }, { "source": "CID:892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "inositol-L-ergothioneine similarity", "source_label": "inositol", "target_label": "L-ergothioneine", "cosine_similarity": 0.786628007888794 } }, { "source": "CID:42611257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "vemurafenib-sorafenib similarity", "source_label": "vemurafenib", "target_label": "sorafenib", "cosine_similarity": 0.7167078852653503 } }, { "source": "CID:2879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "cresol-AZ-628 similarity", "source_label": "cresol", "target_label": "AZ-628", "cosine_similarity": 0.3421960473060608 } }, { "source": "CID:59239165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "GDC-0349-NVP-BEZ235 similarity", "source_label": "GDC-0349", "target_label": "NVP-BEZ235", "cosine_similarity": 0.831758975982666 } }, { "source": "CID:3108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "dipyridamole-theobromine similarity", "source_label": "dipyridamole", "target_label": "theobromine", "cosine_similarity": 0.520095705986023 } }, { "source": "CID:5191289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5268", "properties": { "id": "Ro-60-0175-spiroxatrine similarity", "source_label": "Ro-60-0175", "target_label": "spiroxatrine", "cosine_similarity": 0.2833786904811859 } }, { "source": "CID:6918540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "dalcetrapib-NU-1025 similarity", "source_label": "dalcetrapib", "target_label": "NU-1025", "cosine_similarity": 0.5112324953079224 } }, { "source": "CID:13019152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "isosorbide-GNF-2 similarity", "source_label": "isosorbide", "target_label": "GNF-2", "cosine_similarity": 0.2085328698158264 } }, { "source": "CID:130956", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918537", "properties": { "id": "minodronic-acid-vildagliptin similarity", "source_label": "minodronic-acid", "target_label": "vildagliptin", "cosine_similarity": 0.2019098997116089 } }, { "source": "CID:123686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "ICI-89406-fumonisin-b1 similarity", "source_label": "ICI-89406", "target_label": "fumonisin-b1", "cosine_similarity": 0.2761202454566955 } }, { "source": "CID:24748204", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "MK-5108-parbendazole similarity", "source_label": "MK-5108", "target_label": "parbendazole", "cosine_similarity": 0.476384550333023 } }, { "source": "CID:44498015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620034", "properties": { "id": "SA-97110-SA-427604 similarity", "source_label": "SA-97110", "target_label": "SA-427604", "cosine_similarity": 0.3907899856567383 } }, { "source": "CID:7048624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "cefazolin-JPR-3-97-17 similarity", "source_label": "cefazolin", "target_label": "JPR-3-97-17", "cosine_similarity": 0.2535632252693176 } }, { "source": "CID:44603531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "grazoprevir-SB-683698 similarity", "source_label": "grazoprevir", "target_label": "SB-683698", "cosine_similarity": 0.5779720544815063 } }, { "source": "CID:115113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "L-701324-lorcaserin similarity", "source_label": "L-701324", "target_label": "lorcaserin", "cosine_similarity": 0.2772491574287414 } }, { "source": "CID:129010004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18381", "properties": { "id": "tebipenem-dicloxacillin similarity", "source_label": "tebipenem", "target_label": "dicloxacillin", "cosine_similarity": 0.4323108494281769 } }, { "source": "CID:5311181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "iloprost-AICA-ribonucleotide similarity", "source_label": "iloprost", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2622115910053253 } }, { "source": "CID:8593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "cinchophen-dichlorophen similarity", "source_label": "cinchophen", "target_label": "dichlorophen", "cosine_similarity": 0.4888578355312347 } }, { "source": "CID:9915743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "neratinib-pelitinib similarity", "source_label": "neratinib", "target_label": "pelitinib", "cosine_similarity": 0.6847005486488342 } }, { "source": "CID:72326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5161", "properties": { "id": "NSC-4644-sasapyrine similarity", "source_label": "NSC-4644", "target_label": "sasapyrine", "cosine_similarity": 0.3075696527957916 } }, { "source": "CID:414684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "ephedrine-MW-STK33-4C similarity", "source_label": "ephedrine", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2497859299182891 } }, { "source": "CID:121930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2995", "properties": { "id": "LY-165163-desipramine similarity", "source_label": "LY-165163", "target_label": "desipramine", "cosine_similarity": 0.2857469022274017 } }, { "source": "CID:4829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "pioglitazone-diethylcarbamazine similarity", "source_label": "pioglitazone", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3480526804924011 } }, { "source": "CID:5202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "serotonin-AR-C133057XX similarity", "source_label": "serotonin", "target_label": "AR-C133057XX", "cosine_similarity": 0.5930619239807129 } }, { "source": "CID:44828478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4160", "properties": { "id": "KUC104547N-methyl-testosterone similarity", "source_label": "KUC104547N", "target_label": "methyl-testosterone", "cosine_similarity": 0.2115540206432342 } }, { "source": "CID:3696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "imipramine-CCT-031374 similarity", "source_label": "imipramine", "target_label": "CCT-031374", "cosine_similarity": 0.4592354893684387 } }, { "source": "CID:2519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369359", "properties": { "id": "caffeine-sitagliptin similarity", "source_label": "caffeine", "target_label": "sitagliptin", "cosine_similarity": 0.353442370891571 } }, { "source": "CID:441314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16133851", "properties": { "id": "miglitol-triptorelin similarity", "source_label": "miglitol", "target_label": "triptorelin", "cosine_similarity": 0.312310129404068 } }, { "source": "CID:44595079", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610216", "properties": { "id": "PRT-062070-DL-PDMP similarity", "source_label": "PRT-062070", "target_label": "DL-PDMP", "cosine_similarity": 0.4111366271972656 } }, { "source": "CID:5311340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "JTC-801-puromycin similarity", "source_label": "JTC-801", "target_label": "puromycin", "cosine_similarity": 0.3020924031734466 } }, { "source": "CID:114811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "florfenicol-griseofulvin similarity", "source_label": "florfenicol", "target_label": "griseofulvin", "cosine_similarity": 0.2024344205856323 } }, { "source": "CID:71271629", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "PFI-1-BI-2536 similarity", "source_label": "PFI-1", "target_label": "BI-2536", "cosine_similarity": 0.6113635897636414 } }, { "source": "CID:25044703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "TMI-15-KU-C104236N similarity", "source_label": "TMI-15", "target_label": "KU-C104236N", "cosine_similarity": 0.2365151792764663 } }, { "source": "CID:6604887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926575", "properties": { "id": "Ro-25-6981-MW-A1-14 similarity", "source_label": "Ro-25-6981", "target_label": "MW-A1-14", "cosine_similarity": 0.2957165241241455 } }, { "source": "CID:59588070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "JNK-9L-alvocidib similarity", "source_label": "JNK-9L", "target_label": "alvocidib", "cosine_similarity": 0.6360251307487488 } }, { "source": "CID:906542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "STK-249718-withaferin-a similarity", "source_label": "STK-249718", "target_label": "withaferin-a", "cosine_similarity": 0.5725622177124023 } }, { "source": "CID:53246986", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9871074", "properties": { "id": "LY-2979165-talmapimod similarity", "source_label": "LY-2979165", "target_label": "talmapimod", "cosine_similarity": 0.1513990610837936 } }, { "source": "CID:73707407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "doxercalciferol-HO-013 similarity", "source_label": "doxercalciferol", "target_label": "HO-013", "cosine_similarity": 0.2465857565402984 } }, { "source": "CID:42890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41867", "properties": { "id": "idarubicin-epirubicin similarity", "source_label": "idarubicin", "target_label": "epirubicin", "cosine_similarity": 0.6908875703811646 } }, { "source": "CID:444254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "acarbose-apafant similarity", "source_label": "acarbose", "target_label": "apafant", "cosine_similarity": 0.3752696514129638 } }, { "source": "CID:176158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "SB-216763-rucaparib similarity", "source_label": "SB-216763", "target_label": "rucaparib", "cosine_similarity": 0.5494091510772705 } }, { "source": "CID:91896203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "ST-4070169-BAY-11-7082 similarity", "source_label": "ST-4070169", "target_label": "BAY-11-7082", "cosine_similarity": 0.2818205058574676 } }, { "source": "CID:6710754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5383", "properties": { "id": "irilin-a-tebuthiuron similarity", "source_label": "irilin-a", "target_label": "tebuthiuron", "cosine_similarity": 0.2741653323173523 } }, { "source": "CID:10370504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483163", "properties": { "id": "UK-356618-endo-IWR-1 similarity", "source_label": "UK-356618", "target_label": "endo-IWR-1", "cosine_similarity": 0.3795822858810425 } }, { "source": "CID:3702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "indapamide-rutin similarity", "source_label": "indapamide", "target_label": "rutin", "cosine_similarity": 0.356817215681076 } }, { "source": "CID:56599293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "AZD-3463-wortmannin similarity", "source_label": "AZD-3463", "target_label": "wortmannin", "cosine_similarity": 0.4882441759109497 } }, { "source": "CID:1510378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "KU-C103671-cerulenin similarity", "source_label": "KU-C103671", "target_label": "cerulenin", "cosine_similarity": 0.2295216172933578 } }, { "source": "CID:44630540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "KU-C104255-KU-C104137 similarity", "source_label": "KU-C104255", "target_label": "KU-C104137", "cosine_similarity": 0.2723357379436493 } }, { "source": "CID:73707428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "carbetocin-remacemide similarity", "source_label": "carbetocin", "target_label": "remacemide", "cosine_similarity": 0.3226235508918762 } }, { "source": "CID:54654613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657711", "properties": { "id": "SA-1463838-SA-1456751 similarity", "source_label": "SA-1463838", "target_label": "SA-1456751", "cosine_similarity": 0.3909844756126404 } }, { "source": "CID:24978538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5202", "properties": { "id": "navitoclax-serotonin similarity", "source_label": "navitoclax", "target_label": "serotonin", "cosine_similarity": 0.4791569411754608 } }, { "source": "CID:216454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "L-778123-TAK-733 similarity", "source_label": "L-778123", "target_label": "TAK-733", "cosine_similarity": 0.3219243884086609 } }, { "source": "CID:3765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "isoguvacine-roquinimex similarity", "source_label": "isoguvacine", "target_label": "roquinimex", "cosine_similarity": 0.2092001289129257 } }, { "source": "CID:71815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441290", "properties": { "id": "secnidazole-rocuronium similarity", "source_label": "secnidazole", "target_label": "rocuronium", "cosine_similarity": 0.3753100633621216 } }, { "source": "CID:54676038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4632", "properties": { "id": "dicoumarol-oxybenzone similarity", "source_label": "dicoumarol", "target_label": "oxybenzone", "cosine_similarity": 0.2646205127239227 } }, { "source": "CID:160355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10200390", "properties": { "id": "roscovitine-BAY-61-3606 similarity", "source_label": "roscovitine", "target_label": "BAY-61-3606", "cosine_similarity": 0.5018848180770874 } }, { "source": "CID:31275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489864", "properties": { "id": "dioxane-SA-424589 similarity", "source_label": "dioxane", "target_label": "SA-424589", "cosine_similarity": 0.2004086077213287 } }, { "source": "CID:5282440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446598", "properties": { "id": "ozagrel-clindamycin similarity", "source_label": "ozagrel", "target_label": "clindamycin", "cosine_similarity": 0.5094711184501648 } }, { "source": "CID:9915743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "neratinib-PD-198306 similarity", "source_label": "neratinib", "target_label": "PD-198306", "cosine_similarity": 0.6468372941017151 } }, { "source": "CID:16061509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "bavisant-bemegride similarity", "source_label": "bavisant", "target_label": "bemegride", "cosine_similarity": 0.3146088421344757 } }, { "source": "CID:44487652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "SA-85268-SA-424170 similarity", "source_label": "SA-85268", "target_label": "SA-424170", "cosine_similarity": 0.3326172232627868 } }, { "source": "CID:454217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11317348", "properties": { "id": "prostratin-KI-8751 similarity", "source_label": "prostratin", "target_label": "KI-8751", "cosine_similarity": 0.3836542963981628 } }, { "source": "CID:24747274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45489398", "properties": { "id": "JAS07-003-VU-0415533-1 similarity", "source_label": "JAS07-003", "target_label": "VU-0415533-1", "cosine_similarity": 0.2432941198348999 } }, { "source": "CID:166558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "avasimibe-oncrasin-1 similarity", "source_label": "avasimibe", "target_label": "oncrasin-1", "cosine_similarity": 0.3820662498474121 } }, { "source": "CID:2724385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "digoxin-digitoxigenin similarity", "source_label": "digoxin", "target_label": "digitoxigenin", "cosine_similarity": 0.7685467600822449 } }, { "source": "CID:5381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "tazarotene-CO-102862 similarity", "source_label": "tazarotene", "target_label": "CO-102862", "cosine_similarity": 0.3699472844600677 } }, { "source": "CID:6675804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "tubacin-ISOX similarity", "source_label": "tubacin", "target_label": "ISOX", "cosine_similarity": 0.607895016670227 } }, { "source": "CID:24978538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "navitoclax-saxagliptin similarity", "source_label": "navitoclax", "target_label": "saxagliptin", "cosine_similarity": 0.5287220478057861 } }, { "source": "CID:637568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4463", "properties": { "id": "dimethyl-fumarate-nevirapine similarity", "source_label": "dimethyl-fumarate", "target_label": "nevirapine", "cosine_similarity": 0.5205695033073425 } }, { "source": "CID:51003702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ARG-CSC2-23-gossypin similarity", "source_label": "ARG-CSC2-23", "target_label": "gossypin", "cosine_similarity": 0.3025239109992981 } }, { "source": "CID:9927768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "tenoxicam-BMS-191011 similarity", "source_label": "tenoxicam", "target_label": "BMS-191011", "cosine_similarity": 0.3001902401447296 } }, { "source": "CID:3135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10022508", "properties": { "id": "SU-4312-MDM2-inhibitor similarity", "source_label": "SU-4312", "target_label": "MDM2-inhibitor", "cosine_similarity": 0.2321903258562088 } }, { "source": "CID:10212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "imperatorin-Gossypetin similarity", "source_label": "imperatorin", "target_label": "Gossypetin", "cosine_similarity": 0.2713827788829803 } }, { "source": "CID:969516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72947410", "properties": { "id": "curcumin-MD-II-051 similarity", "source_label": "curcumin", "target_label": "MD-II-051", "cosine_similarity": 0.5045467019081116 } }, { "source": "CID:10302451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "saracatinib-vandetanib similarity", "source_label": "saracatinib", "target_label": "vandetanib", "cosine_similarity": 0.6205158829689026 } }, { "source": "CID:5281672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "myricetin-ST-059620 similarity", "source_label": "myricetin", "target_label": "ST-059620", "cosine_similarity": 0.5131238102912903 } }, { "source": "CID:6419755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438898", "properties": { "id": "PKCbeta-inhibitor-CHIR-99021 similarity", "source_label": "PKCbeta-inhibitor", "target_label": "CHIR-99021", "cosine_similarity": 0.581808865070343 } }, { "source": "CID:5023925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441199", "properties": { "id": "butabindide-cefoxitin similarity", "source_label": "butabindide", "target_label": "cefoxitin", "cosine_similarity": 0.2437419593334198 } }, { "source": "CID:6758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "rotenone-ABT-751 similarity", "source_label": "rotenone", "target_label": "ABT-751", "cosine_similarity": 0.5782867670059204 } }, { "source": "CID:9795278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "PNU-282987-bucladesine similarity", "source_label": "PNU-282987", "target_label": "bucladesine", "cosine_similarity": 0.2565592229366302 } }, { "source": "CID:6675804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918878", "properties": { "id": "tubacin-Merck60 similarity", "source_label": "tubacin", "target_label": "Merck60", "cosine_similarity": 0.4661376774311065 } }, { "source": "CID:6477762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "NSC-632839-pifithrin-mu similarity", "source_label": "NSC-632839", "target_label": "pifithrin-mu", "cosine_similarity": 0.8683637380599976 } }, { "source": "CID:54666592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666591", "properties": { "id": "SA-1920683-SA-1922932 similarity", "source_label": "SA-1920683", "target_label": "SA-1922932", "cosine_similarity": 0.2488432377576828 } }, { "source": "CID:5572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "trihexyphenidyl-cefixime similarity", "source_label": "trihexyphenidyl", "target_label": "cefixime", "cosine_similarity": 0.2240347564220428 } }, { "source": "CID:5280881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "prostaglandin-b2-T-5345967 similarity", "source_label": "prostaglandin-b2", "target_label": "T-5345967", "cosine_similarity": 0.3091247379779815 } }, { "source": "CID:3385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23725625", "properties": { "id": "fluorouracil-olaparib similarity", "source_label": "fluorouracil", "target_label": "olaparib", "cosine_similarity": 0.396178662776947 } }, { "source": "CID:243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "benzoic-acid-chloroquine similarity", "source_label": "benzoic-acid", "target_label": "chloroquine", "cosine_similarity": 0.3218212723731994 } }, { "source": "CID:3463933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658692", "properties": { "id": "FH-535-SA-1458163 similarity", "source_label": "FH-535", "target_label": "SA-1458163", "cosine_similarity": 0.1971777528524398 } }, { "source": "CID:5732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3324", "properties": { "id": "zolpidem-famciclovir similarity", "source_label": "zolpidem", "target_label": "famciclovir", "cosine_similarity": 0.4840362668037414 } }, { "source": "CID:10168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "rhein-cephalothin similarity", "source_label": "rhein", "target_label": "cephalothin", "cosine_similarity": 0.5668135285377502 } }, { "source": "CID:73707430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "gestrinone-saxagliptin similarity", "source_label": "gestrinone", "target_label": "saxagliptin", "cosine_similarity": 0.436660498380661 } }, { "source": "CID:54666592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659373", "properties": { "id": "SA-1920683-SA-1456305 similarity", "source_label": "SA-1920683", "target_label": "SA-1456305", "cosine_similarity": 0.2740611135959625 } }, { "source": "CID:9872740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "L-692585-phenacemide similarity", "source_label": "L-692585", "target_label": "phenacemide", "cosine_similarity": 0.2970018684864044 } }, { "source": "CID:4075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3724", "properties": { "id": "mesalazine-iodixanol similarity", "source_label": "mesalazine", "target_label": "iodixanol", "cosine_similarity": 0.2491929680109024 } }, { "source": "CID:54666542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "SA-1922006-1-benzylimidazole similarity", "source_label": "SA-1922006", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2488285452127456 } }, { "source": "CID:9808844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253143", "properties": { "id": "telatinib-GW-842166 similarity", "source_label": "telatinib", "target_label": "GW-842166", "cosine_similarity": 0.2943339645862579 } }, { "source": "CID:448042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "Y-27632-sildenafil similarity", "source_label": "Y-27632", "target_label": "sildenafil", "cosine_similarity": 0.4309775531291961 } }, { "source": "CID:3081027", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41693", "properties": { "id": "OCO-1112-sufentanil similarity", "source_label": "OCO-1112", "target_label": "sufentanil", "cosine_similarity": 0.3231787979602813 } }, { "source": "CID:60943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "relcovaptan-ME-0328 similarity", "source_label": "relcovaptan", "target_label": "ME-0328", "cosine_similarity": 0.3578242361545563 } }, { "source": "CID:2162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "amlodipine-trifluoperazine similarity", "source_label": "amlodipine", "target_label": "trifluoperazine", "cosine_similarity": 0.5147935748100281 } }, { "source": "CID:24964624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4926", "properties": { "id": "MK-2206-promazine similarity", "source_label": "MK-2206", "target_label": "promazine", "cosine_similarity": 0.5452297329902649 } }, { "source": "CID:6035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3241", "properties": { "id": "broxuridine-epinastine similarity", "source_label": "broxuridine", "target_label": "epinastine", "cosine_similarity": 0.247760385274887 } }, { "source": "CID:5059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4649", "properties": { "id": "REV-5901-aminosalicylic-acid similarity", "source_label": "REV-5901", "target_label": "aminosalicylic-acid", "cosine_similarity": 0.4185487031936645 } }, { "source": "CID:24771824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "PF-04457845-nemonapride similarity", "source_label": "PF-04457845", "target_label": "nemonapride", "cosine_similarity": 0.5049782395362854 } }, { "source": "CID:160020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "tetrindole-obatoclax similarity", "source_label": "tetrindole", "target_label": "obatoclax", "cosine_similarity": 0.5209379196166992 } }, { "source": "CID:10770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6006", "properties": { "id": "hexylcaine-leucovorin similarity", "source_label": "hexylcaine", "target_label": "leucovorin", "cosine_similarity": 0.2586890161037445 } }, { "source": "CID:1048845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "TCS-359-JAS07-006 similarity", "source_label": "TCS-359", "target_label": "JAS07-006", "cosine_similarity": 0.3655380606651306 } }, { "source": "CID:2772764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5572", "properties": { "id": "VU-0011562-trihexyphenidyl similarity", "source_label": "VU-0011562", "target_label": "trihexyphenidyl", "cosine_similarity": 0.2141197472810745 } }, { "source": "CID:5526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2990", "properties": { "id": "tranexamic-acid-dephostatin similarity", "source_label": "tranexamic-acid", "target_label": "dephostatin", "cosine_similarity": 0.1861741095781326 } }, { "source": "CID:5510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5429", "properties": { "id": "tolnaftate-theobromine similarity", "source_label": "tolnaftate", "target_label": "theobromine", "cosine_similarity": 0.467471569776535 } }, { "source": "CID:643951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "necrostatin-1-amisulpride similarity", "source_label": "necrostatin-1", "target_label": "amisulpride", "cosine_similarity": 0.3328855633735657 } }, { "source": "CID:13121776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3634881", "properties": { "id": "nafcilline-CCT036477 similarity", "source_label": "nafcilline", "target_label": "CCT036477", "cosine_similarity": 0.1646877229213714 } }, { "source": "CID:16741245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "AZD-7545-PF-3845 similarity", "source_label": "AZD-7545", "target_label": "PF-3845", "cosine_similarity": 0.3571102917194366 } }, { "source": "CID:5330286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:58573469", "properties": { "id": "palbociclib-AMG-232 similarity", "source_label": "palbociclib", "target_label": "AMG-232", "cosine_similarity": 0.5097317695617676 } }, { "source": "CID:53465279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4725", "properties": { "id": "lesinurad-penciclovir similarity", "source_label": "lesinurad", "target_label": "penciclovir", "cosine_similarity": 0.3599306344985962 } }, { "source": "CID:2710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10831", "properties": { "id": "chlorcyclizine-diperodon similarity", "source_label": "chlorcyclizine", "target_label": "diperodon", "cosine_similarity": 0.2549523115158081 } }, { "source": "CID:44968231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "ML-167-JAS07-006 similarity", "source_label": "ML-167", "target_label": "JAS07-006", "cosine_similarity": 0.2448174953460693 } }, { "source": "CID:49766530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "TL-HRAS-61-withaferin-a similarity", "source_label": "TL-HRAS-61", "target_label": "withaferin-a", "cosine_similarity": 0.4987767934799194 } }, { "source": "CID:5282379", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "isotretinoin-tamibarotene similarity", "source_label": "isotretinoin", "target_label": "tamibarotene", "cosine_similarity": 0.344005674123764 } }, { "source": "CID:46902718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "KUC105208-carbon-tetrachloride similarity", "source_label": "KUC105208", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.2725971043109894 } }, { "source": "CID:5702124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "tranylcypromine-topiramate similarity", "source_label": "tranylcypromine", "target_label": "topiramate", "cosine_similarity": 0.3847850859165191 } }, { "source": "CID:71815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "secnidazole-Y-26763 similarity", "source_label": "secnidazole", "target_label": "Y-26763", "cosine_similarity": 0.3902632296085357 } }, { "source": "CID:14113", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26757", "properties": { "id": "fenigam-selegiline similarity", "source_label": "fenigam", "target_label": "selegiline", "cosine_similarity": 0.299122005701065 } }, { "source": "CID:4632", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "oxybenzone-T-0156 similarity", "source_label": "oxybenzone", "target_label": "T-0156", "cosine_similarity": 0.4697185456752777 } }, { "source": "CID:3346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "fenthion-methimazole similarity", "source_label": "fenthion", "target_label": "methimazole", "cosine_similarity": 0.2083204984664917 } }, { "source": "CID:44483329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "malonoben-niclosamide similarity", "source_label": "malonoben", "target_label": "niclosamide", "cosine_similarity": 0.8110473155975342 } }, { "source": "CID:10297043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3455", "properties": { "id": "AEE-788-vanoxerine similarity", "source_label": "AEE-788", "target_label": "vanoxerine", "cosine_similarity": 0.2737816572189331 } }, { "source": "CID:54614984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44620013", "properties": { "id": "SA-434027-SA-424294 similarity", "source_label": "SA-434027", "target_label": "SA-424294", "cosine_similarity": 0.394747793674469 } }, { "source": "CID:8362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "homosalate-DAC-009 similarity", "source_label": "homosalate", "target_label": "DAC-009", "cosine_similarity": 0.2667532861232757 } }, { "source": "CID:6293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "alizarin-lomerizine similarity", "source_label": "alizarin", "target_label": "lomerizine", "cosine_similarity": 0.2477623373270034 } }, { "source": "CID:4565183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034034", "properties": { "id": "gangaleoidin-quinine similarity", "source_label": "gangaleoidin", "target_label": "quinine", "cosine_similarity": 0.3754518032073974 } }, { "source": "CID:161566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419931", "properties": { "id": "vanillyl-glycol-methyl-hydantoin similarity", "source_label": "vanillyl-glycol", "target_label": "methyl-hydantoin", "cosine_similarity": 0.162185862660408 } }, { "source": "CID:11644425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "CGP-57380-neratinib similarity", "source_label": "CGP-57380", "target_label": "neratinib", "cosine_similarity": 0.5534006953239441 } }, { "source": "CID:6604915", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71277", "properties": { "id": "OMDM-2-erythromycin-estolate similarity", "source_label": "OMDM-2", "target_label": "erythromycin-estolate", "cosine_similarity": 0.2882370054721832 } }, { "source": "CID:16363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288600", "properties": { "id": "benperidol-IC-261 similarity", "source_label": "benperidol", "target_label": "IC-261", "cosine_similarity": 0.2427206486463546 } }, { "source": "CID:5281912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "prostaglandin-a1-rolipram similarity", "source_label": "prostaglandin-a1", "target_label": "rolipram", "cosine_similarity": 0.3293504118919372 } }, { "source": "CID:24747213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610310", "properties": { "id": "PSH-008-MBCQ similarity", "source_label": "PSH-008", "target_label": "MBCQ", "cosine_similarity": 0.3253163397312164 } }, { "source": "CID:53377419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5765514", "properties": { "id": "BG-STK33-55-MW-STK33-1C similarity", "source_label": "BG-STK33-55", "target_label": "MW-STK33-1C", "cosine_similarity": 0.4408833384513855 } }, { "source": "CID:3941250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2736301", "properties": { "id": "nitrocaramiphen-TBEP similarity", "source_label": "nitrocaramiphen", "target_label": "TBEP", "cosine_similarity": 0.2929597795009613 } }, { "source": "CID:44601476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "KU-C103904N-terfenadine similarity", "source_label": "KU-C103904N", "target_label": "terfenadine", "cosine_similarity": 0.2695374488830566 } }, { "source": "CID:3647", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433118", "properties": { "id": "hydroflumethiazide-lirimilast similarity", "source_label": "hydroflumethiazide", "target_label": "lirimilast", "cosine_similarity": 0.27433642745018 } }, { "source": "CID:3604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484010", "properties": { "id": "hexamethonium-SA-85764 similarity", "source_label": "hexamethonium", "target_label": "SA-85764", "cosine_similarity": 0.1825172454118728 } }, { "source": "CID:17134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54688261", "properties": { "id": "sulfadoxine-warfarin similarity", "source_label": "sulfadoxine", "target_label": "warfarin", "cosine_similarity": 0.3163025677204132 } }, { "source": "CID:54657728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "SA-1459224-Y-26763 similarity", "source_label": "SA-1459224", "target_label": "Y-26763", "cosine_similarity": 0.2254900783300399 } }, { "source": "CID:4712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "PD-169316-TAK-715 similarity", "source_label": "PD-169316", "target_label": "TAK-715", "cosine_similarity": 0.3963967561721802 } }, { "source": "CID:4707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "PD-158780-selumetinib similarity", "source_label": "PD-158780", "target_label": "selumetinib", "cosine_similarity": 0.5184875130653381 } }, { "source": "CID:16222096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "cobimetinib-PD-0325901 similarity", "source_label": "cobimetinib", "target_label": "PD-0325901", "cosine_similarity": 0.7304109334945679 } }, { "source": "CID:44607591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "KU-C104142-lasalocid similarity", "source_label": "KU-C104142", "target_label": "lasalocid", "cosine_similarity": 0.3170785009860992 } }, { "source": "CID:6918454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "PD-184352-AZD-8330 similarity", "source_label": "PD-184352", "target_label": "AZD-8330", "cosine_similarity": 0.821897029876709 } }, { "source": "CID:658169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3690", "properties": { "id": "ST-4028268-ifosfamide similarity", "source_label": "ST-4028268", "target_label": "ifosfamide", "cosine_similarity": 0.4381998479366302 } }, { "source": "CID:13019152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10071166", "properties": { "id": "isosorbide-DCPIB similarity", "source_label": "isosorbide", "target_label": "DCPIB", "cosine_similarity": 0.2059635818004608 } }, { "source": "CID:135398506", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10074640", "properties": { "id": "SB-590885-masitinib similarity", "source_label": "SB-590885", "target_label": "masitinib", "cosine_similarity": 0.3124230206012726 } }, { "source": "CID:6212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4246", "properties": { "id": "chloroform-monocrotaline similarity", "source_label": "chloroform", "target_label": "monocrotaline", "cosine_similarity": 0.3052723109722137 } }, { "source": "CID:73707430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702031", "properties": { "id": "gestrinone-danazol similarity", "source_label": "gestrinone", "target_label": "danazol", "cosine_similarity": 0.4391466677188873 } }, { "source": "CID:73707399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658535", "properties": { "id": "SA-1458571-SA-1459975 similarity", "source_label": "SA-1458571", "target_label": "SA-1459975", "cosine_similarity": 0.3084929585456848 } }, { "source": "CID:40469923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "O-1918-gatifloxacin similarity", "source_label": "O-1918", "target_label": "gatifloxacin", "cosine_similarity": 0.1970758885145187 } }, { "source": "CID:177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667477", "properties": { "id": "acetaldehyde-doxepin similarity", "source_label": "acetaldehyde", "target_label": "doxepin", "cosine_similarity": 0.239639401435852 } }, { "source": "CID:24995524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "SNS-314-NVP-BEZ235 similarity", "source_label": "SNS-314", "target_label": "NVP-BEZ235", "cosine_similarity": 0.2465189695358276 } }, { "source": "CID:56640146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "dasabuvir-diphenylpyraline similarity", "source_label": "dasabuvir", "target_label": "diphenylpyraline", "cosine_similarity": 0.2970007061958313 } }, { "source": "CID:4911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "probenecid-pirfenidone similarity", "source_label": "probenecid", "target_label": "pirfenidone", "cosine_similarity": 0.3594189286231994 } }, { "source": "CID:11754511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45100448", "properties": { "id": "BX-912-ML-179 similarity", "source_label": "BX-912", "target_label": "ML-179", "cosine_similarity": 0.3221548199653625 } }, { "source": "CID:90843500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "rolitetracycline-epicatechin similarity", "source_label": "rolitetracycline", "target_label": "epicatechin", "cosine_similarity": 0.3225910067558288 } }, { "source": "CID:6917960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "KBG-flutamide similarity", "source_label": "KBG", "target_label": "flutamide", "cosine_similarity": 0.3803835213184356 } }, { "source": "CID:73707575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53321987", "properties": { "id": "MK-801-bafilomycin similarity", "source_label": "MK-801", "target_label": "bafilomycin", "cosine_similarity": 0.2660313844680786 } }, { "source": "CID:4308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73453", "properties": { "id": "NPC-15199-ergocornine similarity", "source_label": "NPC-15199", "target_label": "ergocornine", "cosine_similarity": 0.2817752957344055 } }, { "source": "CID:4622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "oxibendazole-vinblastine similarity", "source_label": "oxibendazole", "target_label": "vinblastine", "cosine_similarity": 0.5969655513763428 } }, { "source": "CID:5517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "tosufloxacin-rolipram similarity", "source_label": "tosufloxacin", "target_label": "rolipram", "cosine_similarity": 0.2552487552165985 } }, { "source": "CID:20635522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "KIN001-127-SB-216641 similarity", "source_label": "KIN001-127", "target_label": "SB-216641", "cosine_similarity": 0.3857539594173431 } }, { "source": "CID:73313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "trimidox-VER-155008 similarity", "source_label": "trimidox", "target_label": "VER-155008", "cosine_similarity": 0.3052036762237549 } }, { "source": "CID:25199517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657689", "properties": { "id": "WAY-262611-SA-1973507 similarity", "source_label": "WAY-262611", "target_label": "SA-1973507", "cosine_similarity": 0.4011761844158172 } }, { "source": "CID:969516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60194076", "properties": { "id": "curcumin-MD-II-008-P similarity", "source_label": "curcumin", "target_label": "MD-II-008-P", "cosine_similarity": 0.5046470165252686 } }, { "source": "CID:4631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441130", "properties": { "id": "oxprenolol-meropenem similarity", "source_label": "oxprenolol", "target_label": "meropenem", "cosine_similarity": 0.2867432534694671 } }, { "source": "CID:54585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "balsalazide-vinburnine similarity", "source_label": "balsalazide", "target_label": "vinburnine", "cosine_similarity": 0.497092455625534 } }, { "source": "CID:4829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "pioglitazone-troglitazone similarity", "source_label": "pioglitazone", "target_label": "troglitazone", "cosine_similarity": 0.4323288798332214 } }, { "source": "CID:9549297", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11609586", "properties": { "id": "SU-11274-serdemetan similarity", "source_label": "SU-11274", "target_label": "serdemetan", "cosine_similarity": 0.3106565773487091 } }, { "source": "CID:16667722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "acadesine-aminoguanidine similarity", "source_label": "acadesine", "target_label": "aminoguanidine", "cosine_similarity": 0.3644648492336273 } }, { "source": "CID:44502756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-102695-SA-89763 similarity", "source_label": "SA-102695", "target_label": "SA-89763", "cosine_similarity": 0.275000661611557 } }, { "source": "CID:229021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:839770", "properties": { "id": "methandriol-RAN-14B similarity", "source_label": "methandriol", "target_label": "RAN-14B", "cosine_similarity": 0.2167976945638656 } }, { "source": "CID:3156173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "ST-014366-SA-427543 similarity", "source_label": "ST-014366", "target_label": "SA-427543", "cosine_similarity": 0.2916399836540222 } }, { "source": "CID:92727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:223368", "properties": { "id": "lopinavir-equilin similarity", "source_label": "lopinavir", "target_label": "equilin", "cosine_similarity": 0.3725237548351288 } }, { "source": "CID:53377419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60511", "properties": { "id": "BG-STK33-55-remacemide similarity", "source_label": "BG-STK33-55", "target_label": "remacemide", "cosine_similarity": 0.3783087730407715 } }, { "source": "CID:5074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6215", "properties": { "id": "ritanserin-fluocinolone similarity", "source_label": "ritanserin", "target_label": "fluocinolone", "cosine_similarity": 0.2432980090379715 } }, { "source": "CID:49850262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9809715", "properties": { "id": "tubastatin-a-nintedanib similarity", "source_label": "tubastatin-a", "target_label": "nintedanib", "cosine_similarity": 0.2625147700309753 } }, { "source": "CID:129010068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "limonin-TUL-XXI039 similarity", "source_label": "limonin", "target_label": "TUL-XXI039", "cosine_similarity": 0.2698580324649811 } }, { "source": "CID:11598628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11524144", "properties": { "id": "PF-431396-dorsomorphin similarity", "source_label": "PF-431396", "target_label": "dorsomorphin", "cosine_similarity": 0.3687621355056762 } }, { "source": "CID:70680406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15951529", "properties": { "id": "MW-SHH-61-enzalutamide similarity", "source_label": "MW-SHH-61", "target_label": "enzalutamide", "cosine_similarity": 0.2987547218799591 } }, { "source": "CID:25195348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "VER-155008-AR-C133057XX similarity", "source_label": "VER-155008", "target_label": "AR-C133057XX", "cosine_similarity": 0.4031640589237213 } }, { "source": "CID:183470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "U-54494A-fumonisin-b1 similarity", "source_label": "U-54494A", "target_label": "fumonisin-b1", "cosine_similarity": 0.260851502418518 } }, { "source": "CID:11625818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "idelalisib-gliclazide similarity", "source_label": "idelalisib", "target_label": "gliclazide", "cosine_similarity": 0.5622420907020569 } }, { "source": "CID:2405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15224271", "properties": { "id": "bisoprolol-anidulafungin similarity", "source_label": "bisoprolol", "target_label": "anidulafungin", "cosine_similarity": 0.3680243492126465 } }, { "source": "CID:46238405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "RAN-29-CAY-10594 similarity", "source_label": "RAN-29", "target_label": "CAY-10594", "cosine_similarity": 0.2812010645866394 } }, { "source": "CID:54654463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-1472542-SA-1938867 similarity", "source_label": "SA-1472542", "target_label": "SA-1938867", "cosine_similarity": 0.293871134519577 } }, { "source": "CID:9932888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46944259", "properties": { "id": "lestaurtinib-LY-2874455 similarity", "source_label": "lestaurtinib", "target_label": "LY-2874455", "cosine_similarity": 0.5430877208709717 } }, { "source": "CID:4030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "mebendazole-KX-2391 similarity", "source_label": "mebendazole", "target_label": "KX-2391", "cosine_similarity": 0.7326959371566772 } }, { "source": "CID:10745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3156", "properties": { "id": "acetylsalicylsalicylic-acid-doxapram similarity", "source_label": "acetylsalicylsalicylic-acid", "target_label": "doxapram", "cosine_similarity": 0.2668974697589874 } }, { "source": "CID:2775510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26987", "properties": { "id": "wiskostatin-clemastine similarity", "source_label": "wiskostatin", "target_label": "clemastine", "cosine_similarity": 0.5516079068183899 } }, { "source": "CID:53387035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4891", "properties": { "id": "LCQ-908-praziquantel similarity", "source_label": "LCQ-908", "target_label": "praziquantel", "cosine_similarity": 0.2791749238967895 } }, { "source": "CID:11998575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "palomid-529-primaquine similarity", "source_label": "palomid-529", "target_label": "primaquine", "cosine_similarity": 0.4631863534450531 } }, { "source": "CID:18381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010004", "properties": { "id": "dicloxacillin-tebipenem similarity", "source_label": "dicloxacillin", "target_label": "tebipenem", "cosine_similarity": 0.4323108494281769 } }, { "source": "CID:8969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "yohimbine-danegaptide similarity", "source_label": "yohimbine", "target_label": "danegaptide", "cosine_similarity": 0.613150954246521 } }, { "source": "CID:322968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009918", "properties": { "id": "PRIMA1-pregnenolone similarity", "source_label": "PRIMA1", "target_label": "pregnenolone", "cosine_similarity": 0.5224761962890625 } }, { "source": "CID:16747776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296282", "properties": { "id": "CHEMBL-399379-DG-041 similarity", "source_label": "CHEMBL-399379", "target_label": "DG-041", "cosine_similarity": 0.5672833323478699 } }, { "source": "CID:49835860", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "ST-4062971-K784-3188 similarity", "source_label": "ST-4062971", "target_label": "K784-3188", "cosine_similarity": 0.4881621301174164 } }, { "source": "CID:2159", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "amisulpride-PRIMA1 similarity", "source_label": "amisulpride", "target_label": "PRIMA1", "cosine_similarity": 0.5361648797988892 } }, { "source": "CID:43008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "alizapride-actarit similarity", "source_label": "alizapride", "target_label": "actarit", "cosine_similarity": 0.6061582565307617 } }, { "source": "CID:107751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "racecadotril-oxaprozin similarity", "source_label": "racecadotril", "target_label": "oxaprozin", "cosine_similarity": 0.4109219014644623 } }, { "source": "CID:92727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "lopinavir-orciprenaline similarity", "source_label": "lopinavir", "target_label": "orciprenaline", "cosine_similarity": 0.3659547865390777 } }, { "source": "CID:460612", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6194", "properties": { "id": "melphalan-uracil-mustard similarity", "source_label": "melphalan", "target_label": "uracil-mustard", "cosine_similarity": 0.4270051419734955 } }, { "source": "CID:3749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "irbesartan-brivanib similarity", "source_label": "irbesartan", "target_label": "brivanib", "cosine_similarity": 0.3523803651332855 } }, { "source": "CID:4601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "orphenadrine-methimazole similarity", "source_label": "orphenadrine", "target_label": "methimazole", "cosine_similarity": 0.4944433569908142 } }, { "source": "CID:73707614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5361", "properties": { "id": "KW-06-suramin similarity", "source_label": "KW-06", "target_label": "suramin", "cosine_similarity": 0.2163536101579666 } }, { "source": "CID:2798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23975549", "properties": { "id": "clofilium-I-505056 similarity", "source_label": "clofilium", "target_label": "I-505056", "cosine_similarity": 0.3941388726234436 } }, { "source": "CID:2984", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44602378", "properties": { "id": "denbufylline-KU-C104129 similarity", "source_label": "denbufylline", "target_label": "KU-C104129", "cosine_similarity": 0.2498177886009216 } }, { "source": "CID:4849", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3902", "properties": { "id": "piretanide-letrozole similarity", "source_label": "piretanide", "target_label": "letrozole", "cosine_similarity": 0.4013921022415161 } }, { "source": "CID:456389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449196", "properties": { "id": "diclazuril-androstanol similarity", "source_label": "diclazuril", "target_label": "androstanol", "cosine_similarity": 0.1230048537254333 } }, { "source": "CID:612556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4574540", "properties": { "id": "dihydroptaeroxylin-IRL-2500 similarity", "source_label": "dihydroptaeroxylin", "target_label": "IRL-2500", "cosine_similarity": 0.2290752232074737 } }, { "source": "CID:135511839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "carbadox-iniparib similarity", "source_label": "carbadox", "target_label": "iniparib", "cosine_similarity": 0.2226760536432266 } }, { "source": "CID:44498587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "SA-425500-NNC-55-0396 similarity", "source_label": "SA-425500", "target_label": "NNC-55-0396", "cosine_similarity": 0.5587104558944702 } }, { "source": "CID:65833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "milnacipran-bemegride similarity", "source_label": "milnacipran", "target_label": "bemegride", "cosine_similarity": 0.5059345960617065 } }, { "source": "CID:6604794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "RS-16566-tubocurarine similarity", "source_label": "RS-16566", "target_label": "tubocurarine", "cosine_similarity": 0.2755757868289947 } }, { "source": "CID:53389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "rimcazole-STA-5326 similarity", "source_label": "rimcazole", "target_label": "STA-5326", "cosine_similarity": 0.5561873316764832 } }, { "source": "CID:73652146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "ionomycin-bithionol similarity", "source_label": "ionomycin", "target_label": "bithionol", "cosine_similarity": 0.2816499769687652 } }, { "source": "CID:71188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "enrofloxacin-cefixime similarity", "source_label": "enrofloxacin", "target_label": "cefixime", "cosine_similarity": 0.364530861377716 } }, { "source": "CID:9950038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44665680", "properties": { "id": "SB-205607-KU-C104502N similarity", "source_label": "SB-205607", "target_label": "KU-C104502N", "cosine_similarity": 0.1920902729034423 } }, { "source": "CID:216468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736529", "properties": { "id": "indisulam-BIIB-021 similarity", "source_label": "indisulam", "target_label": "BIIB-021", "cosine_similarity": 0.2094982862472534 } }, { "source": "CID:10479060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "BAY-59-3074-glutamine similarity", "source_label": "BAY-59-3074", "target_label": "glutamine", "cosine_similarity": 0.2410892099142074 } }, { "source": "CID:5912039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16112820", "properties": { "id": "huperzine-a-neurodazine similarity", "source_label": "huperzine-a", "target_label": "neurodazine", "cosine_similarity": 0.292894035577774 } }, { "source": "CID:16061509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3825", "properties": { "id": "bavisant-ketoprofen similarity", "source_label": "bavisant", "target_label": "ketoprofen", "cosine_similarity": 0.3102781772613525 } }, { "source": "CID:2353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "berberine-rimonabant similarity", "source_label": "berberine", "target_label": "rimonabant", "cosine_similarity": 0.4329610764980316 } }, { "source": "CID:24747180", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "JAS07-010-naltrexone similarity", "source_label": "JAS07-010", "target_label": "naltrexone", "cosine_similarity": 0.2141193151473999 } }, { "source": "CID:6124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362440", "properties": { "id": "dimethylnitrosamine-indinavir similarity", "source_label": "dimethylnitrosamine", "target_label": "indinavir", "cosine_similarity": 0.2269906103610992 } }, { "source": "CID:9458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25419", "properties": { "id": "triflusal-clodronic-acid similarity", "source_label": "triflusal", "target_label": "clodronic-acid", "cosine_similarity": 0.2203334122896194 } }, { "source": "CID:2802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2771", "properties": { "id": "clonazepam-citalopram similarity", "source_label": "clonazepam", "target_label": "citalopram", "cosine_similarity": 0.3955516517162323 } }, { "source": "CID:194138", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:414684", "properties": { "id": "EHPG-piperazine-ephedrine similarity", "source_label": "EHPG-piperazine", "target_label": "ephedrine", "cosine_similarity": 0.1602192670106887 } }, { "source": "CID:3337816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604928", "properties": { "id": "CCMQ-GS-39783 similarity", "source_label": "CCMQ", "target_label": "GS-39783", "cosine_similarity": 0.2608479261398315 } }, { "source": "CID:10109823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11713159", "properties": { "id": "AS-601245-PF-562271 similarity", "source_label": "AS-601245", "target_label": "PF-562271", "cosine_similarity": 0.3889331817626953 } }, { "source": "CID:36273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67243342", "properties": { "id": "mecillinam-TUL-XIX029 similarity", "source_label": "mecillinam", "target_label": "TUL-XIX029", "cosine_similarity": 0.2385606616735458 } }, { "source": "CID:49843020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:861", "properties": { "id": "CAM-9-021-rathyronine similarity", "source_label": "CAM-9-021", "target_label": "rathyronine", "cosine_similarity": 0.3680467009544372 } }, { "source": "CID:3169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "dropropizine-Gossypetin similarity", "source_label": "dropropizine", "target_label": "Gossypetin", "cosine_similarity": 0.3808091580867767 } }, { "source": "CID:2819152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "KM-00927-JNJ-26481585 similarity", "source_label": "KM-00927", "target_label": "JNJ-26481585", "cosine_similarity": 0.772733211517334 } }, { "source": "CID:54657731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667389", "properties": { "id": "SA-1458689-SA-1919345 similarity", "source_label": "SA-1458689", "target_label": "SA-1919345", "cosine_similarity": 0.2690746486186981 } }, { "source": "CID:20555075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "CGP-12177-adenosine similarity", "source_label": "CGP-12177", "target_label": "adenosine", "cosine_similarity": 0.4796960055828094 } }, { "source": "CID:2819152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3571", "properties": { "id": "KM-00927-HC-toxin similarity", "source_label": "KM-00927", "target_label": "HC-toxin", "cosine_similarity": 0.8600348234176636 } }, { "source": "CID:5283393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "arachidonamide-selinidin similarity", "source_label": "arachidonamide", "target_label": "selinidin", "cosine_similarity": 0.3085211217403412 } }, { "source": "CID:1585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "CV-1808-T-0156 similarity", "source_label": "CV-1808", "target_label": "T-0156", "cosine_similarity": 0.519744336605072 } }, { "source": "CID:11438771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65997", "properties": { "id": "basimglurant-lerisetron similarity", "source_label": "basimglurant", "target_label": "lerisetron", "cosine_similarity": 0.4068370759487152 } }, { "source": "CID:44551660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:166558", "properties": { "id": "CP-466722-avasimibe similarity", "source_label": "CP-466722", "target_label": "avasimibe", "cosine_similarity": 0.3939840495586395 } }, { "source": "CID:4989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4409", "properties": { "id": "pyrantel-nabumetone similarity", "source_label": "pyrantel", "target_label": "nabumetone", "cosine_similarity": 0.198062926530838 } }, { "source": "CID:24747196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442428", "properties": { "id": "PSH-025-naringin similarity", "source_label": "PSH-025", "target_label": "naringin", "cosine_similarity": 0.2423632591962814 } }, { "source": "CID:46843772", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57340671", "properties": { "id": "XMD-892-JWE-035 similarity", "source_label": "XMD-892", "target_label": "JWE-035", "cosine_similarity": 0.6163975596427917 } }, { "source": "CID:16094766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "GP-2a-etomidate similarity", "source_label": "GP-2a", "target_label": "etomidate", "cosine_similarity": 0.2557682394981384 } }, { "source": "CID:31072", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "carbimazole-rutin similarity", "source_label": "carbimazole", "target_label": "rutin", "cosine_similarity": 0.3373670279979706 } }, { "source": "CID:151819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "BL-050-FTI-276 similarity", "source_label": "BL-050", "target_label": "FTI-276", "cosine_similarity": 0.2925971448421478 } }, { "source": "CID:73707542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707549", "properties": { "id": "BG-1024-BG-1010 similarity", "source_label": "BG-1024", "target_label": "BG-1010", "cosine_similarity": 0.7104429006576538 } }, { "source": "CID:73707613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176167", "properties": { "id": "THZ-2-98-01-enzastaurin similarity", "source_label": "THZ-2-98-01", "target_label": "enzastaurin", "cosine_similarity": 0.5637741684913635 } }, { "source": "CID:54666869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494463", "properties": { "id": "SA-1920942-SA-242443 similarity", "source_label": "SA-1920942", "target_label": "SA-242443", "cosine_similarity": 0.2395121455192566 } }, { "source": "CID:5281670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "morin-myricetin similarity", "source_label": "morin", "target_label": "myricetin", "cosine_similarity": 0.3416327536106109 } }, { "source": "CID:16117018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5278396", "properties": { "id": "KU-60019-KU-55933 similarity", "source_label": "KU-60019", "target_label": "KU-55933", "cosine_similarity": 0.4171377122402191 } }, { "source": "CID:2764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54367", "properties": { "id": "ciprofloxacin-altanserin similarity", "source_label": "ciprofloxacin", "target_label": "altanserin", "cosine_similarity": 0.2889614403247833 } }, { "source": "CID:3961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "losartan-FTI-276 similarity", "source_label": "losartan", "target_label": "FTI-276", "cosine_similarity": 0.470848947763443 } }, { "source": "CID:1510378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5240", "properties": { "id": "KU-C103671-iodoacetic-acid similarity", "source_label": "KU-C103671", "target_label": "iodoacetic-acid", "cosine_similarity": 0.2269032895565033 } }, { "source": "CID:3440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "furosemide-dideoxyadenosine similarity", "source_label": "furosemide", "target_label": "dideoxyadenosine", "cosine_similarity": 0.4328854382038116 } }, { "source": "CID:5330535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10322450", "properties": { "id": "D-64406-KO-143 similarity", "source_label": "D-64406", "target_label": "KO-143", "cosine_similarity": 0.3993038833141327 } }, { "source": "CID:5385074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51755", "properties": { "id": "kakonein-fenticonazole similarity", "source_label": "kakonein", "target_label": "fenticonazole", "cosine_similarity": 0.4039584696292877 } }, { "source": "CID:60184895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3447", "properties": { "id": "SA-1939938-gabexate similarity", "source_label": "SA-1939938", "target_label": "gabexate", "cosine_similarity": 0.3202251195907593 } }, { "source": "CID:49842983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25124816", "properties": { "id": "SD-6-035-A2-GSK-1904529A similarity", "source_label": "SD-6-035-A2", "target_label": "GSK-1904529A", "cosine_similarity": 0.2571031153202057 } }, { "source": "CID:3785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886613", "properties": { "id": "itdac-1-BG-1031 similarity", "source_label": "itdac-1", "target_label": "BG-1031", "cosine_similarity": 0.4021030366420746 } }, { "source": "CID:16667717", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "alclometasone-betamethasone similarity", "source_label": "alclometasone", "target_label": "betamethasone", "cosine_similarity": 0.3492661416530609 } }, { "source": "CID:11754511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24113957", "properties": { "id": "BX-912-H-9 similarity", "source_label": "BX-912", "target_label": "H-9", "cosine_similarity": 0.3336997330188751 } }, { "source": "CID:1317466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "SJ-172550-DC-45-A2 similarity", "source_label": "SJ-172550", "target_label": "DC-45-A2", "cosine_similarity": 0.4723075628280639 } }, { "source": "CID:24747274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "JAS07-003-methyl-fasudil similarity", "source_label": "JAS07-003", "target_label": "methyl-fasudil", "cosine_similarity": 0.2690248787403106 } }, { "source": "CID:119570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "pramipexole-ketorolac similarity", "source_label": "pramipexole", "target_label": "ketorolac", "cosine_similarity": 0.3687117099761963 } }, { "source": "CID:46742354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742340", "properties": { "id": "VU-0418947-2-VU-0418934-2 similarity", "source_label": "VU-0418947-2", "target_label": "VU-0418934-2", "cosine_similarity": 0.873940646648407 } }, { "source": "CID:2562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "pentoxyverine-lenalidomide similarity", "source_label": "pentoxyverine", "target_label": "lenalidomide", "cosine_similarity": 0.2992004156112671 } }, { "source": "CID:24747196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "PSH-025-fillalbin similarity", "source_label": "PSH-025", "target_label": "fillalbin", "cosine_similarity": 0.2473004311323166 } }, { "source": "CID:4184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125564", "properties": { "id": "mianserin-blonanserin similarity", "source_label": "mianserin", "target_label": "blonanserin", "cosine_similarity": 0.3059418201446533 } }, { "source": "CID:2830510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127861", "properties": { "id": "salubrinal-BMY-45778 similarity", "source_label": "salubrinal", "target_label": "BMY-45778", "cosine_similarity": 0.2916598916053772 } }, { "source": "CID:132252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "CGP-52432-BMS-191011 similarity", "source_label": "CGP-52432", "target_label": "BMS-191011", "cosine_similarity": 0.3073627352714538 } }, { "source": "CID:707029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "EX-527-lenalidomide similarity", "source_label": "EX-527", "target_label": "lenalidomide", "cosine_similarity": 0.4500495195388794 } }, { "source": "CID:8515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "pyrazolanthrone-JNJ-38877605 similarity", "source_label": "pyrazolanthrone", "target_label": "JNJ-38877605", "cosine_similarity": 0.2924313545227051 } }, { "source": "CID:44143370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "KIN001-266-disopyramide similarity", "source_label": "KIN001-266", "target_label": "disopyramide", "cosine_similarity": 0.3266253173351288 } }, { "source": "CID:3121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "valproic-acid-ISOX similarity", "source_label": "valproic-acid", "target_label": "ISOX", "cosine_similarity": 0.4298286139965057 } }, { "source": "CID:60769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "MDL-73005EF-PF-03084014 similarity", "source_label": "MDL-73005EF", "target_label": "PF-03084014", "cosine_similarity": 0.4280773103237152 } }, { "source": "CID:9863672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282440", "properties": { "id": "ripasudil-ozagrel similarity", "source_label": "ripasudil", "target_label": "ozagrel", "cosine_similarity": 0.5353208780288696 } }, { "source": "CID:65681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11646777", "properties": { "id": "isbufylline-LY-2334737 similarity", "source_label": "isbufylline", "target_label": "LY-2334737", "cosine_similarity": 0.3134863376617431 } }, { "source": "CID:25062766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46216796", "properties": { "id": "CYT-387-pacritinib similarity", "source_label": "CYT-387", "target_label": "pacritinib", "cosine_similarity": 0.4147042632102966 } }, { "source": "CID:5126051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "CPCCOEt-APO-866 similarity", "source_label": "CPCCOEt", "target_label": "APO-866", "cosine_similarity": 0.2547574639320373 } }, { "source": "CID:54666825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "SA-1922111-SA-1459167 similarity", "source_label": "SA-1922111", "target_label": "SA-1459167", "cosine_similarity": 0.2488530129194259 } }, { "source": "CID:5498067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "esculin-ABT-202 similarity", "source_label": "esculin", "target_label": "ABT-202", "cosine_similarity": 0.2857317924499511 } }, { "source": "CID:4910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "proadifen-XAV-939 similarity", "source_label": "proadifen", "target_label": "XAV-939", "cosine_similarity": 0.274444580078125 } }, { "source": "CID:73707476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17507", "properties": { "id": "pivampicillin-etamsylate similarity", "source_label": "pivampicillin", "target_label": "etamsylate", "cosine_similarity": 0.3010200560092926 } }, { "source": "CID:6291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38521", "properties": { "id": "mestranol-guanadrel similarity", "source_label": "mestranol", "target_label": "guanadrel", "cosine_similarity": 0.4603259563446045 } }, { "source": "CID:3055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "diphenidol-histamine similarity", "source_label": "diphenidol", "target_label": "histamine", "cosine_similarity": 0.5040868520736694 } }, { "source": "CID:244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "benzyl-alcohol-levonorgestrel similarity", "source_label": "benzyl-alcohol", "target_label": "levonorgestrel", "cosine_similarity": 0.1813983470201492 } }, { "source": "CID:5765514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488330", "properties": { "id": "MW-STK33-1C-SA-85148 similarity", "source_label": "MW-STK33-1C", "target_label": "SA-85148", "cosine_similarity": 0.2983658611774444 } }, { "source": "CID:132475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "GBR-13069-terfenadine similarity", "source_label": "GBR-13069", "target_label": "terfenadine", "cosine_similarity": 0.4058848917484283 } }, { "source": "CID:444025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710662", "properties": { "id": "loteprednol-fluocinolone-acetonide similarity", "source_label": "loteprednol", "target_label": "fluocinolone-acetonide", "cosine_similarity": 0.3062026798725128 } }, { "source": "CID:5780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "mannitol-D-cilostazol similarity", "source_label": "mannitol-D", "target_label": "cilostazol", "cosine_similarity": 0.4690994918346405 } }, { "source": "CID:9953592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2689", "properties": { "id": "naltrindole-CGS-12066B similarity", "source_label": "naltrindole", "target_label": "CGS-12066B", "cosine_similarity": 0.2625942528247833 } }, { "source": "CID:160254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4488", "properties": { "id": "cryptotanshinone-niflumic-acid similarity", "source_label": "cryptotanshinone", "target_label": "niflumic-acid", "cosine_similarity": 0.2610440850257873 } }, { "source": "CID:657309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "ipratropium-marbofloxacin similarity", "source_label": "ipratropium", "target_label": "marbofloxacin", "cosine_similarity": 0.4485523998737335 } }, { "source": "CID:16659841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "AZD-1480-A-769662 similarity", "source_label": "AZD-1480", "target_label": "A-769662", "cosine_similarity": 0.3664827942848205 } }, { "source": "CID:9982218", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "NTNCB-RS-17053 similarity", "source_label": "NTNCB", "target_label": "RS-17053", "cosine_similarity": 0.665593147277832 } }, { "source": "CID:44640178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "KU-C104488-KU-C104137 similarity", "source_label": "KU-C104488", "target_label": "KU-C104137", "cosine_similarity": 0.4121239185333252 } }, { "source": "CID:216239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "sorafenib-Ro-28-1675 similarity", "source_label": "sorafenib", "target_label": "Ro-28-1675", "cosine_similarity": 0.6243078708648682 } }, { "source": "CID:18721", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "apigenin-BML-259 similarity", "source_label": "apigenin", "target_label": "BML-259", "cosine_similarity": 0.7644380331039429 } }, { "source": "CID:10186367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54675769", "properties": { "id": "CT-7758-novobiocin similarity", "source_label": "CT-7758", "target_label": "novobiocin", "cosine_similarity": 0.3989753425121307 } }, { "source": "CID:156314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5329099", "properties": { "id": "dipropyl-5ct-orantinib similarity", "source_label": "dipropyl-5ct", "target_label": "orantinib", "cosine_similarity": 0.2731522619724273 } }, { "source": "CID:70680398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "MW-SHH-97-myricetin similarity", "source_label": "MW-SHH-97", "target_label": "myricetin", "cosine_similarity": 0.2980862259864807 } }, { "source": "CID:364622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4364841", "properties": { "id": "MNITMT-L-165041 similarity", "source_label": "MNITMT", "target_label": "L-165041", "cosine_similarity": 0.2115854024887085 } }, { "source": "CID:3083928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:494471", "properties": { "id": "fraxidin-methyllycaconitine similarity", "source_label": "fraxidin", "target_label": "methyllycaconitine", "cosine_similarity": 0.2365003377199173 } }, { "source": "CID:213039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "darunavir-actarit similarity", "source_label": "darunavir", "target_label": "actarit", "cosine_similarity": 0.3764907121658325 } }, { "source": "CID:128563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11689883", "properties": { "id": "salvinorin-a-omecamtiv-mecarbil similarity", "source_label": "salvinorin-a", "target_label": "omecamtiv-mecarbil", "cosine_similarity": 0.3469761908054352 } }, { "source": "CID:10182969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282136", "properties": { "id": "apixaban-lafutidine similarity", "source_label": "apixaban", "target_label": "lafutidine", "cosine_similarity": 0.4394916892051697 } }, { "source": "CID:3604", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "hexamethonium-EXO-1 similarity", "source_label": "hexamethonium", "target_label": "EXO-1", "cosine_similarity": 0.1967902034521103 } }, { "source": "CID:4021", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "edaravone-imatinib similarity", "source_label": "edaravone", "target_label": "imatinib", "cosine_similarity": 0.3181639611721039 } }, { "source": "CID:5534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "tremorine-TUL-XX025TFA similarity", "source_label": "tremorine", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.2806891202926636 } }, { "source": "CID:60937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "tiludronate-gimeracil similarity", "source_label": "tiludronate", "target_label": "gimeracil", "cosine_similarity": 0.3557330369949341 } }, { "source": "CID:39042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444008", "properties": { "id": "bezafibrate-tibolone similarity", "source_label": "bezafibrate", "target_label": "tibolone", "cosine_similarity": 0.4679092764854431 } }, { "source": "CID:4543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "nortriptyline-amiodarone similarity", "source_label": "nortriptyline", "target_label": "amiodarone", "cosine_similarity": 0.4681920111179352 } }, { "source": "CID:45006158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "betamethasone-acetate-dexamethasone similarity", "source_label": "betamethasone-acetate", "target_label": "dexamethasone", "cosine_similarity": 0.4975183010101318 } }, { "source": "CID:5475158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:97807", "properties": { "id": "cinanserin-safrolglycol similarity", "source_label": "cinanserin", "target_label": "safrolglycol", "cosine_similarity": 0.2576069831848144 } }, { "source": "CID:5282375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3604", "properties": { "id": "etretinate-hexamethonium similarity", "source_label": "etretinate", "target_label": "hexamethonium", "cosine_similarity": 0.1804421544075012 } }, { "source": "CID:54669335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-1919551-SA-1921996 similarity", "source_label": "SA-1919551", "target_label": "SA-1921996", "cosine_similarity": 0.2520224750041961 } }, { "source": "CID:2818982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "KM-00519SC-amikacin similarity", "source_label": "KM-00519SC", "target_label": "amikacin", "cosine_similarity": 0.3636498749256134 } }, { "source": "CID:46931004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "danoprevir-Gossypetin similarity", "source_label": "danoprevir", "target_label": "Gossypetin", "cosine_similarity": 0.3000257611274719 } }, { "source": "CID:56949517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39042", "properties": { "id": "GSK-2636771-bezafibrate similarity", "source_label": "GSK-2636771", "target_label": "bezafibrate", "cosine_similarity": 0.4187838137149811 } }, { "source": "CID:1547484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "cinnarizine-pinacidil similarity", "source_label": "cinnarizine", "target_label": "pinacidil", "cosine_similarity": 0.3701345920562744 } }, { "source": "CID:3002120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441140", "properties": { "id": "sulbutiamine-griseofulvin similarity", "source_label": "sulbutiamine", "target_label": "griseofulvin", "cosine_similarity": 0.5973040461540222 } }, { "source": "CID:54666542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607360", "properties": { "id": "SA-1922006-WZ-3146 similarity", "source_label": "SA-1922006", "target_label": "WZ-3146", "cosine_similarity": 0.2431425601243972 } }, { "source": "CID:27648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "iocetamic-acid-MW-MITF28 similarity", "source_label": "iocetamic-acid", "target_label": "MW-MITF28", "cosine_similarity": 0.2535448372364044 } }, { "source": "CID:163844", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16678941", "properties": { "id": "CGS-20625-VX-809 similarity", "source_label": "CGS-20625", "target_label": "VX-809", "cosine_similarity": 0.4681165218353271 } }, { "source": "CID:65854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "anpirtoline-temozolomide similarity", "source_label": "anpirtoline", "target_label": "temozolomide", "cosine_similarity": 0.2705186605453491 } }, { "source": "CID:44634697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10109069", "properties": { "id": "kitasamycin-NS-3694 similarity", "source_label": "kitasamycin", "target_label": "NS-3694", "cosine_similarity": 0.2111271768808365 } }, { "source": "CID:5702164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "puromycin-z-leu3-VS similarity", "source_label": "puromycin", "target_label": "z-leu3-VS", "cosine_similarity": 0.7716805338859558 } }, { "source": "CID:44493394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "SA-90377-levopropoxyphene similarity", "source_label": "SA-90377", "target_label": "levopropoxyphene", "cosine_similarity": 0.2168269902467727 } }, { "source": "CID:9958279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "S-26948-EX-527 similarity", "source_label": "S-26948", "target_label": "EX-527", "cosine_similarity": 0.2020417600870132 } }, { "source": "CID:63306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "NU-1025-BMS-641988 similarity", "source_label": "NU-1025", "target_label": "BMS-641988", "cosine_similarity": 0.5581580400466919 } }, { "source": "CID:2116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:896", "properties": { "id": "alpha-tocopherol-melatonin similarity", "source_label": "alpha-tocopherol", "target_label": "melatonin", "cosine_similarity": 0.3949244618415832 } }, { "source": "CID:60190226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657708", "properties": { "id": "SA-1925996-SA-1457336 similarity", "source_label": "SA-1925996", "target_label": "SA-1457336", "cosine_similarity": 0.2726540267467499 } }, { "source": "CID:151289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "evodiamine-PT-630 similarity", "source_label": "evodiamine", "target_label": "PT-630", "cosine_similarity": 0.4379936158657074 } }, { "source": "CID:9796068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "iniparib-tetrahydrouridine similarity", "source_label": "iniparib", "target_label": "tetrahydrouridine", "cosine_similarity": 0.6828382015228271 } }, { "source": "CID:2381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "biperiden-resorcinol similarity", "source_label": "biperiden", "target_label": "resorcinol", "cosine_similarity": 0.3739299178123474 } }, { "source": "CID:6520352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "K-9944-KU-C104337 similarity", "source_label": "K-9944", "target_label": "KU-C104337", "cosine_similarity": 0.5213285684585571 } }, { "source": "CID:9907093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44137675", "properties": { "id": "TGX-221-AZD-6482 similarity", "source_label": "TGX-221", "target_label": "AZD-6482", "cosine_similarity": 0.3767611384391784 } }, { "source": "CID:59149652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13019152", "properties": { "id": "AZD-5069-isosorbide similarity", "source_label": "AZD-5069", "target_label": "isosorbide", "cosine_similarity": 0.2397377640008926 } }, { "source": "CID:4521392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9967941", "properties": { "id": "SB-431542-SB-525334 similarity", "source_label": "SB-431542", "target_label": "SB-525334", "cosine_similarity": 0.4254505932331085 } }, { "source": "CID:4380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "clorgiline-imiquimod similarity", "source_label": "clorgiline", "target_label": "imiquimod", "cosine_similarity": 0.1752482950687408 } }, { "source": "CID:180933", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "chrysenequinone-thiostrepton similarity", "source_label": "chrysenequinone", "target_label": "thiostrepton", "cosine_similarity": 0.7008948922157288 } }, { "source": "CID:56846693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "CEP-32496-BMS-536924 similarity", "source_label": "CEP-32496", "target_label": "BMS-536924", "cosine_similarity": 0.399019181728363 } }, { "source": "CID:447966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "LY-364947-EX-527 similarity", "source_label": "LY-364947", "target_label": "EX-527", "cosine_similarity": 0.3674032688140869 } }, { "source": "CID:24747273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "PSH-010-VU-0405172-2 similarity", "source_label": "PSH-010", "target_label": "VU-0405172-2", "cosine_similarity": 0.3382545709609985 } }, { "source": "CID:73707420", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23116322", "properties": { "id": "EI-247-KW-2478 similarity", "source_label": "EI-247", "target_label": "KW-2478", "cosine_similarity": 0.2707532942295074 } }, { "source": "CID:5754137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57345410", "properties": { "id": "BAM-7-EPZ-5676 similarity", "source_label": "BAM-7", "target_label": "EPZ-5676", "cosine_similarity": 0.3321559727191925 } }, { "source": "CID:176873", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "cilengitide-orciprenaline similarity", "source_label": "cilengitide", "target_label": "orciprenaline", "cosine_similarity": 0.2968402504920959 } }, { "source": "CID:92258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24798764", "properties": { "id": "phenylacetylglutamine-VX-222 similarity", "source_label": "phenylacetylglutamine", "target_label": "VX-222", "cosine_similarity": 0.4632327854633331 } }, { "source": "CID:2094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311304", "properties": { "id": "allopurinol-nalbuphine similarity", "source_label": "allopurinol", "target_label": "nalbuphine", "cosine_similarity": 0.3149836361408233 } }, { "source": "CID:11719003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "BVD-523-AZD-8330 similarity", "source_label": "BVD-523", "target_label": "AZD-8330", "cosine_similarity": 0.5798245072364807 } }, { "source": "CID:5329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803433", "properties": { "id": "sulfamethoxazole-MK-0752 similarity", "source_label": "sulfamethoxazole", "target_label": "MK-0752", "cosine_similarity": 0.2516838908195495 } }, { "source": "CID:10666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "ricinine-rolipram similarity", "source_label": "ricinine", "target_label": "rolipram", "cosine_similarity": 0.2976570427417755 } }, { "source": "CID:10172943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610353", "properties": { "id": "A-443654-staurosporine similarity", "source_label": "A-443654", "target_label": "staurosporine", "cosine_similarity": 0.3621757924556732 } }, { "source": "CID:3168", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "droperidol-tecastemizole similarity", "source_label": "droperidol", "target_label": "tecastemizole", "cosine_similarity": 0.2750903367996216 } }, { "source": "CID:10474339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "BMS-191011-APO-866 similarity", "source_label": "BMS-191011", "target_label": "APO-866", "cosine_similarity": 0.6768587231636047 } }, { "source": "CID:44498557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-418993-SA-101686 similarity", "source_label": "SA-418993", "target_label": "SA-101686", "cosine_similarity": 0.23172427713871 } }, { "source": "CID:44498587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "SA-425500-I-070759 similarity", "source_label": "SA-425500", "target_label": "I-070759", "cosine_similarity": 0.5541061758995056 } }, { "source": "CID:16219399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "glycocholic-acid-phenothiazine similarity", "source_label": "glycocholic-acid", "target_label": "phenothiazine", "cosine_similarity": 0.2863112092018127 } }, { "source": "CID:6610243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "penitrem-a-sparfloxacin similarity", "source_label": "penitrem-a", "target_label": "sparfloxacin", "cosine_similarity": 0.4730547070503235 } }, { "source": "CID:5329006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "ZM-306416-BMS-536924 similarity", "source_label": "ZM-306416", "target_label": "BMS-536924", "cosine_similarity": 0.2956017255783081 } }, { "source": "CID:3828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742832", "properties": { "id": "khellin-aztreonam similarity", "source_label": "khellin", "target_label": "aztreonam", "cosine_similarity": 0.1706916391849517 } }, { "source": "CID:4211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "mitotane-GNF-2 similarity", "source_label": "mitotane", "target_label": "GNF-2", "cosine_similarity": 0.2757202684879303 } }, { "source": "CID:9809715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "nintedanib-vandetanib similarity", "source_label": "nintedanib", "target_label": "vandetanib", "cosine_similarity": 0.3389948010444641 } }, { "source": "CID:4507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "nitrendipine-BMS-191011 similarity", "source_label": "nitrendipine", "target_label": "BMS-191011", "cosine_similarity": 0.3499820232391357 } }, { "source": "CID:222786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "cortisone-1-benzylimidazole similarity", "source_label": "cortisone", "target_label": "1-benzylimidazole", "cosine_similarity": 0.3585360646247864 } }, { "source": "CID:16736978", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "KU-0063794-MLN-0128 similarity", "source_label": "KU-0063794", "target_label": "MLN-0128", "cosine_similarity": 0.8233805894851685 } }, { "source": "CID:1858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1359", "properties": { "id": "6-chloromelatonin-TRIM similarity", "source_label": "6-chloromelatonin", "target_label": "TRIM", "cosine_similarity": 0.4938222765922546 } }, { "source": "CID:56971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708684", "properties": { "id": "ipsapirone-scopoline similarity", "source_label": "ipsapirone", "target_label": "scopoline", "cosine_similarity": 0.2829226851463318 } }, { "source": "CID:9549297", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "SU-11274-imatinib similarity", "source_label": "SU-11274", "target_label": "imatinib", "cosine_similarity": 0.308523029088974 } }, { "source": "CID:3339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "fenofibrate-FTI-276 similarity", "source_label": "fenofibrate", "target_label": "FTI-276", "cosine_similarity": 0.2658207714557647 } }, { "source": "CID:57335384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25161177", "properties": { "id": "rociletinib-MLN-2480 similarity", "source_label": "rociletinib", "target_label": "MLN-2480", "cosine_similarity": 0.3533918857574463 } }, { "source": "CID:10745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "acetylsalicylsalicylic-acid-oleoylethanolamide similarity", "source_label": "acetylsalicylsalicylic-acid", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2826787829399109 } }, { "source": "CID:4413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "nafamostat-bitopertin similarity", "source_label": "nafamostat", "target_label": "bitopertin", "cosine_similarity": 0.4733648896217346 } }, { "source": "CID:9675990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "PAC-1-VU-0418939-2 similarity", "source_label": "PAC-1", "target_label": "VU-0418939-2", "cosine_similarity": 0.6817049980163574 } }, { "source": "CID:5281222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "butein-K784-3187 similarity", "source_label": "butein", "target_label": "K784-3187", "cosine_similarity": 0.6583551168441772 } }, { "source": "CID:57030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "brequinar-topotecan similarity", "source_label": "brequinar", "target_label": "topotecan", "cosine_similarity": 0.4690565466880798 } }, { "source": "CID:11960529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "veliparib-harmine similarity", "source_label": "veliparib", "target_label": "harmine", "cosine_similarity": 0.4283730089664459 } }, { "source": "CID:44603533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4456", "properties": { "id": "LY-2801653-neostigmine similarity", "source_label": "LY-2801653", "target_label": "neostigmine", "cosine_similarity": 0.3011592328548431 } }, { "source": "CID:5325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "sulfamerazine-granisetron similarity", "source_label": "sulfamerazine", "target_label": "granisetron", "cosine_similarity": 0.2193649560213089 } }, { "source": "CID:9953599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "GR-159897-NTNCB similarity", "source_label": "GR-159897", "target_label": "NTNCB", "cosine_similarity": 0.3293196558952331 } }, { "source": "CID:4679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "pantoprazole-castanospermine similarity", "source_label": "pantoprazole", "target_label": "castanospermine", "cosine_similarity": 0.3689617216587066 } }, { "source": "CID:54459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "idazoxan-cyclothiazide similarity", "source_label": "idazoxan", "target_label": "cyclothiazide", "cosine_similarity": 0.2214512676000595 } }, { "source": "CID:44483329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "malonoben-FCCP similarity", "source_label": "malonoben", "target_label": "FCCP", "cosine_similarity": 0.8853251934051514 } }, { "source": "CID:42785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "metenkephalin-actarit similarity", "source_label": "metenkephalin", "target_label": "actarit", "cosine_similarity": 0.3922247588634491 } }, { "source": "CID:155815", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:336423", "properties": { "id": "varespladib-TIC-10 similarity", "source_label": "varespladib", "target_label": "TIC-10", "cosine_similarity": 0.3950951099395752 } }, { "source": "CID:73707436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "YL-52-methyl-fasudil similarity", "source_label": "YL-52", "target_label": "methyl-fasudil", "cosine_similarity": 0.2365722060203552 } }, { "source": "CID:123619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "etoricoxib-acifran similarity", "source_label": "etoricoxib", "target_label": "acifran", "cosine_similarity": 0.4104190468788147 } }, { "source": "CID:49855250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11749858", "properties": { "id": "SB-939-PCI-24781 similarity", "source_label": "SB-939", "target_label": "PCI-24781", "cosine_similarity": 0.7967849373817444 } }, { "source": "CID:230748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "INCA-6-pifithrin-mu similarity", "source_label": "INCA-6", "target_label": "pifithrin-mu", "cosine_similarity": 0.4783537983894348 } }, { "source": "CID:198693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "CI-966-actarit similarity", "source_label": "CI-966", "target_label": "actarit", "cosine_similarity": 0.5005079507827759 } }, { "source": "CID:5281750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3442", "properties": { "id": "seneciphylline-fusaric-acid similarity", "source_label": "seneciphylline", "target_label": "fusaric-acid", "cosine_similarity": 0.3272538781166076 } }, { "source": "CID:2581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22152353", "properties": { "id": "carprofen-ORG-9768 similarity", "source_label": "carprofen", "target_label": "ORG-9768", "cosine_similarity": 0.3672500550746918 } }, { "source": "CID:3539719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604926", "properties": { "id": "3-methyl-GABA-SB-334867 similarity", "source_label": "3-methyl-GABA", "target_label": "SB-334867", "cosine_similarity": 0.3094003796577453 } }, { "source": "CID:4173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "metronidazole-MLN-9708 similarity", "source_label": "metronidazole", "target_label": "MLN-9708", "cosine_similarity": 0.4076356887817383 } }, { "source": "CID:25161177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "MLN-2480-loxoprofen similarity", "source_label": "MLN-2480", "target_label": "loxoprofen", "cosine_similarity": 0.4282096326351166 } }, { "source": "CID:3003565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71721648", "properties": { "id": "wortmannin-CEP-37440 similarity", "source_label": "wortmannin", "target_label": "CEP-37440", "cosine_similarity": 0.6895558834075928 } }, { "source": "CID:25105713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4534086", "properties": { "id": "VU-0155069-KB-R7943 similarity", "source_label": "VU-0155069", "target_label": "KB-R7943", "cosine_similarity": 0.5811856985092163 } }, { "source": "CID:2801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2160", "properties": { "id": "clomipramine-amitriptyline similarity", "source_label": "clomipramine", "target_label": "amitriptyline", "cosine_similarity": 0.6791377067565918 } }, { "source": "CID:73438899", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10311918", "properties": { "id": "BOX-5-CTPB similarity", "source_label": "BOX-5", "target_label": "CTPB", "cosine_similarity": 0.2247502654790878 } }, { "source": "CID:7092995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "dehydroepiandrosterone-vortioxetine similarity", "source_label": "dehydroepiandrosterone", "target_label": "vortioxetine", "cosine_similarity": 0.3458826243877411 } }, { "source": "CID:2564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5918561", "properties": { "id": "carbinoxamine-ST-024029 similarity", "source_label": "carbinoxamine", "target_label": "ST-024029", "cosine_similarity": 0.2682448625564575 } }, { "source": "CID:11950170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:941361", "properties": { "id": "KD-025-flunarizine similarity", "source_label": "KD-025", "target_label": "flunarizine", "cosine_similarity": 0.2102986872196197 } }, { "source": "CID:3272524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5379", "properties": { "id": "NBQX-gatifloxacin similarity", "source_label": "NBQX", "target_label": "gatifloxacin", "cosine_similarity": 0.2386596649885177 } }, { "source": "CID:57469", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "imiquimod-orciprenaline similarity", "source_label": "imiquimod", "target_label": "orciprenaline", "cosine_similarity": 0.4237706661224365 } }, { "source": "CID:5497136", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657707", "properties": { "id": "ceramide-SA-1459291 similarity", "source_label": "ceramide", "target_label": "SA-1459291", "cosine_similarity": 0.2187947928905487 } }, { "source": "CID:44498994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-96835-SA-1455938 similarity", "source_label": "SA-96835", "target_label": "SA-1455938", "cosine_similarity": 0.3981314301490783 } }, { "source": "CID:70680410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16659841", "properties": { "id": "MW-SHH-98-AZD-1480 similarity", "source_label": "MW-SHH-98", "target_label": "AZD-1480", "cosine_similarity": 0.2367650270462036 } }, { "source": "CID:32334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4350931", "properties": { "id": "beta-alanine-LE-300 similarity", "source_label": "beta-alanine", "target_label": "LE-300", "cosine_similarity": 0.2135635614395141 } }, { "source": "CID:60185223", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505479", "properties": { "id": "SA-1939079-SA-419010 similarity", "source_label": "SA-1939079", "target_label": "SA-419010", "cosine_similarity": 0.3384126424789428 } }, { "source": "CID:24965990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "suvorexant-flavoxate similarity", "source_label": "suvorexant", "target_label": "flavoxate", "cosine_similarity": 0.362605482339859 } }, { "source": "CID:3913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657237", "properties": { "id": "tetramisole-fludarabine similarity", "source_label": "tetramisole", "target_label": "fludarabine", "cosine_similarity": 0.2789091169834137 } }, { "source": "CID:42633508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "VU-0238429-HMN-214 similarity", "source_label": "VU-0238429", "target_label": "HMN-214", "cosine_similarity": 0.4426903426647186 } }, { "source": "CID:4926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "promazine-FIT similarity", "source_label": "promazine", "target_label": "FIT", "cosine_similarity": 0.5883265137672424 } }, { "source": "CID:5219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "linsidomine-sparfloxacin similarity", "source_label": "linsidomine", "target_label": "sparfloxacin", "cosine_similarity": 0.5627574920654297 } }, { "source": "CID:5290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3763775", "properties": { "id": "L-stepholidine-MW-MITF22 similarity", "source_label": "L-stepholidine", "target_label": "MW-MITF22", "cosine_similarity": 0.2512667179107666 } }, { "source": "CID:10090485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034034", "properties": { "id": "LY-2157299-quinine similarity", "source_label": "LY-2157299", "target_label": "quinine", "cosine_similarity": 0.324175089597702 } }, { "source": "CID:5720188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "BH3I-1-UNC-0321 similarity", "source_label": "BH3I-1", "target_label": "UNC-0321", "cosine_similarity": 0.2606907784938812 } }, { "source": "CID:4210951", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "SB-415286-AZD-5438 similarity", "source_label": "SB-415286", "target_label": "AZD-5438", "cosine_similarity": 0.4972670972347259 } }, { "source": "CID:5496659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:87217390", "properties": { "id": "otamixaban-SU-014813 similarity", "source_label": "otamixaban", "target_label": "SU-014813", "cosine_similarity": 0.398347407579422 } }, { "source": "CID:2083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "salbutamol-fillalbin similarity", "source_label": "salbutamol", "target_label": "fillalbin", "cosine_similarity": 0.3004781007766723 } }, { "source": "CID:6212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "chloroform-lersivirine similarity", "source_label": "chloroform", "target_label": "lersivirine", "cosine_similarity": 0.2470530718564987 } }, { "source": "CID:444031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46199646", "properties": { "id": "darifenacin-VX-661 similarity", "source_label": "darifenacin", "target_label": "VX-661", "cosine_similarity": 0.2836558222770691 } }, { "source": "CID:72287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "levomepromazine-idelalisib similarity", "source_label": "levomepromazine", "target_label": "idelalisib", "cosine_similarity": 0.2466711103916168 } }, { "source": "CID:10742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "syringic-acid-FTI-276 similarity", "source_label": "syringic-acid", "target_label": "FTI-276", "cosine_similarity": 0.348219484090805 } }, { "source": "CID:6604381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "tyloxapol-NNC-55-0396 similarity", "source_label": "tyloxapol", "target_label": "NNC-55-0396", "cosine_similarity": 0.4224099516868591 } }, { "source": "CID:2320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "benfotiamine-Gossypetin similarity", "source_label": "benfotiamine", "target_label": "Gossypetin", "cosine_similarity": 0.2270781993865966 } }, { "source": "CID:54677407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "robustic-acid-dipyrocetyl similarity", "source_label": "robustic-acid", "target_label": "dipyrocetyl", "cosine_similarity": 0.2903146743774414 } }, { "source": "CID:4004", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4034", "properties": { "id": "malathion-meclizine similarity", "source_label": "malathion", "target_label": "meclizine", "cosine_similarity": 0.1891483515501022 } }, { "source": "CID:50910523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "ARG-CSC-91-FTI-276 similarity", "source_label": "ARG-CSC-91", "target_label": "FTI-276", "cosine_similarity": 0.4730802476406097 } }, { "source": "CID:105007", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "FPL-55712-JNJ-38877605 similarity", "source_label": "FPL-55712", "target_label": "JNJ-38877605", "cosine_similarity": 0.3478515744209289 } }, { "source": "CID:5475586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "BCI-hydrochloride-EMF-sumo1-39 similarity", "source_label": "BCI-hydrochloride", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7582505941390991 } }, { "source": "CID:5568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "triflupromazine-tamoxifen similarity", "source_label": "triflupromazine", "target_label": "tamoxifen", "cosine_similarity": 0.3800503611564636 } }, { "source": "CID:9927531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "BIBR-1532-pazopanib similarity", "source_label": "BIBR-1532", "target_label": "pazopanib", "cosine_similarity": 0.3492967784404754 } }, { "source": "CID:1464", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "bisbenzimide-dactinomycin similarity", "source_label": "bisbenzimide", "target_label": "dactinomycin", "cosine_similarity": 0.3149513900279999 } }, { "source": "CID:4644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "oxypurinol-lorcaserin similarity", "source_label": "oxypurinol", "target_label": "lorcaserin", "cosine_similarity": 0.3156310617923736 } }, { "source": "CID:5436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9651", "properties": { "id": "thiamylal-galantamine similarity", "source_label": "thiamylal", "target_label": "galantamine", "cosine_similarity": 0.2749853134155273 } }, { "source": "CID:444025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918155", "properties": { "id": "loteprednol-ciclesonide similarity", "source_label": "loteprednol", "target_label": "ciclesonide", "cosine_similarity": 0.3196006119251251 } }, { "source": "CID:4594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35375", "properties": { "id": "omeprazole-etofenamate similarity", "source_label": "omeprazole", "target_label": "etofenamate", "cosine_similarity": 0.3039378523826599 } }, { "source": "CID:24856041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104956", "properties": { "id": "AMG-900-SKF-96365 similarity", "source_label": "AMG-900", "target_label": "SKF-96365", "cosine_similarity": 0.2488133311271667 } }, { "source": "CID:2708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "chlorambucil-floxuridine similarity", "source_label": "chlorambucil", "target_label": "floxuridine", "cosine_similarity": 0.3853102028369903 } }, { "source": "CID:2746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "tacedinaline-BML-210 similarity", "source_label": "tacedinaline", "target_label": "BML-210", "cosine_similarity": 0.572002112865448 } }, { "source": "CID:135787369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "BG-1020-PJ-34 similarity", "source_label": "BG-1020", "target_label": "PJ-34", "cosine_similarity": 0.2879910171031952 } }, { "source": "CID:5280363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "dinoprost-tipiracil similarity", "source_label": "dinoprost", "target_label": "tipiracil", "cosine_similarity": 0.4828472435474396 } }, { "source": "CID:24901704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "MGCD-265-ME-0328 similarity", "source_label": "MGCD-265", "target_label": "ME-0328", "cosine_similarity": 0.3361456096172333 } }, { "source": "CID:8550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3292447", "properties": { "id": "deserpidine-SB-216641 similarity", "source_label": "deserpidine", "target_label": "SB-216641", "cosine_similarity": 0.2187148779630661 } }, { "source": "CID:10152654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2343", "properties": { "id": "odanacatib-benzthiazide similarity", "source_label": "odanacatib", "target_label": "benzthiazide", "cosine_similarity": 0.2949938476085663 } }, { "source": "CID:3671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "ibudilast-zaprinast similarity", "source_label": "ibudilast", "target_label": "zaprinast", "cosine_similarity": 0.3127464950084686 } }, { "source": "CID:9887884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123964", "properties": { "id": "DMP-543-ASA-404 similarity", "source_label": "DMP-543", "target_label": "ASA-404", "cosine_similarity": 0.2475766539573669 } }, { "source": "CID:44628955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135883127", "properties": { "id": "foxy-5-BG-1017 similarity", "source_label": "foxy-5", "target_label": "BG-1017", "cosine_similarity": 0.2053532302379608 } }, { "source": "CID:3925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195348", "properties": { "id": "QX-314-VER-155008 similarity", "source_label": "QX-314", "target_label": "VER-155008", "cosine_similarity": 0.3187407255172729 } }, { "source": "CID:5388993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2833", "properties": { "id": "vincristine-colchicine similarity", "source_label": "vincristine", "target_label": "colchicine", "cosine_similarity": 0.6909862756729126 } }, { "source": "CID:44492098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-427543-FTI-276 similarity", "source_label": "SA-427543", "target_label": "FTI-276", "cosine_similarity": 0.3688677251338959 } }, { "source": "CID:5522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918305", "properties": { "id": "tracazolate-ganaxolone similarity", "source_label": "tracazolate", "target_label": "ganaxolone", "cosine_similarity": 0.3213000893592834 } }, { "source": "CID:70680398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25109985", "properties": { "id": "MW-SHH-97-SJB-shh-31 similarity", "source_label": "MW-SHH-97", "target_label": "SJB-shh-31", "cosine_similarity": 0.2821808755397796 } }, { "source": "CID:2777391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "T-0070907-SKI-II similarity", "source_label": "T-0070907", "target_label": "SKI-II", "cosine_similarity": 0.3426875472068786 } }, { "source": "CID:6435901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "linoleamide-Gossypetin similarity", "source_label": "linoleamide", "target_label": "Gossypetin", "cosine_similarity": 0.2661882638931274 } }, { "source": "CID:49867926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:440936", "properties": { "id": "SAR-245409-arbutin similarity", "source_label": "SAR-245409", "target_label": "arbutin", "cosine_similarity": 0.2884922623634338 } }, { "source": "CID:221493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "cholic-acid-AZD-7687 similarity", "source_label": "cholic-acid", "target_label": "AZD-7687", "cosine_similarity": 0.5463061332702637 } }, { "source": "CID:71360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "iloperidone-raloxifene similarity", "source_label": "iloperidone", "target_label": "raloxifene", "cosine_similarity": 0.2993219792842865 } }, { "source": "CID:77999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "rosiglitazone-navitoclax similarity", "source_label": "rosiglitazone", "target_label": "navitoclax", "cosine_similarity": 0.4160923361778259 } }, { "source": "CID:54659633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "SA-1456220-methapyrilene similarity", "source_label": "SA-1456220", "target_label": "methapyrilene", "cosine_similarity": 0.2462380677461624 } }, { "source": "CID:4755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "phenamil-sorafenib similarity", "source_label": "phenamil", "target_label": "sorafenib", "cosine_similarity": 0.2596258819103241 } }, { "source": "CID:6604780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1370", "properties": { "id": "ZD-7114-CX-516 similarity", "source_label": "ZD-7114", "target_label": "CX-516", "cosine_similarity": 0.3155188262462616 } }, { "source": "CID:4847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "pirenperone-evoxine similarity", "source_label": "pirenperone", "target_label": "evoxine", "cosine_similarity": 0.2580975294113159 } }, { "source": "CID:11609586", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:515328", "properties": { "id": "serdemetan-fdcyd similarity", "source_label": "serdemetan", "target_label": "fdcyd", "cosine_similarity": 0.4721847176551819 } }, { "source": "CID:78357816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "VT-464-gimeracil similarity", "source_label": "VT-464", "target_label": "gimeracil", "cosine_similarity": 0.3522945642471313 } }, { "source": "CID:72703790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "EGF-816-SA-1921456 similarity", "source_label": "EGF-816", "target_label": "SA-1921456", "cosine_similarity": 0.3922768831253052 } }, { "source": "CID:44492894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502203", "properties": { "id": "SA-90471-SA-101686 similarity", "source_label": "SA-90471", "target_label": "SA-101686", "cosine_similarity": 0.4101771712303161 } }, { "source": "CID:73707614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62872", "properties": { "id": "KW-06-aminobenztropine similarity", "source_label": "KW-06", "target_label": "aminobenztropine", "cosine_similarity": 0.2680279910564422 } }, { "source": "CID:11054313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "KU-C103867-NSC-632839 similarity", "source_label": "KU-C103867", "target_label": "NSC-632839", "cosine_similarity": 0.4249086081981659 } }, { "source": "CID:148192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2381", "properties": { "id": "atazanavir-biperiden similarity", "source_label": "atazanavir", "target_label": "biperiden", "cosine_similarity": 0.2248315066099167 } }, { "source": "CID:9883029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "orteronel-BMS-641988 similarity", "source_label": "orteronel", "target_label": "BMS-641988", "cosine_similarity": 0.4560234844684601 } }, { "source": "CID:2145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "aminoglutethimide-aminoguanidine similarity", "source_label": "aminoglutethimide", "target_label": "aminoguanidine", "cosine_similarity": 0.464714378118515 } }, { "source": "CID:5282451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "pitavastatin-wortmannin similarity", "source_label": "pitavastatin", "target_label": "wortmannin", "cosine_similarity": 0.5301879048347473 } }, { "source": "CID:11494412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "tivantinib-HMN-214 similarity", "source_label": "tivantinib", "target_label": "HMN-214", "cosine_similarity": 0.7738064527511597 } }, { "source": "CID:54668617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1919248-SA-84905 similarity", "source_label": "SA-1919248", "target_label": "SA-84905", "cosine_similarity": 0.3648063838481903 } }, { "source": "CID:44629744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "KU-C104248-gliclazide similarity", "source_label": "KU-C104248", "target_label": "gliclazide", "cosine_similarity": 0.6123979091644287 } }, { "source": "CID:23748533", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "ML-3163-ST-059620 similarity", "source_label": "ML-3163", "target_label": "ST-059620", "cosine_similarity": 0.2640712261199951 } }, { "source": "CID:6610310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "MBCQ-KU-C104486 similarity", "source_label": "MBCQ", "target_label": "KU-C104486", "cosine_similarity": 0.3071614801883697 } }, { "source": "CID:15547703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "tosedostat-RAF-265 similarity", "source_label": "tosedostat", "target_label": "RAF-265", "cosine_similarity": 0.4725919663906097 } }, { "source": "CID:6560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "penicillin-SA-103013 similarity", "source_label": "penicillin", "target_label": "SA-103013", "cosine_similarity": 0.2684607803821563 } }, { "source": "CID:65997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "lerisetron-lomerizine similarity", "source_label": "lerisetron", "target_label": "lomerizine", "cosine_similarity": 0.3170203268527984 } }, { "source": "CID:2564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "carbinoxamine-NU-1025 similarity", "source_label": "carbinoxamine", "target_label": "NU-1025", "cosine_similarity": 0.2642813622951507 } }, { "source": "CID:44490857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "SA-103123-fumonisin-b1 similarity", "source_label": "SA-103123", "target_label": "fumonisin-b1", "cosine_similarity": 0.3070660233497619 } }, { "source": "CID:73707372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19582717", "properties": { "id": "PP-30-CHEMBL-1222381 similarity", "source_label": "PP-30", "target_label": "CHEMBL-1222381", "cosine_similarity": 0.5856915712356567 } }, { "source": "CID:5374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "talipexole-carprofen similarity", "source_label": "talipexole", "target_label": "carprofen", "cosine_similarity": 0.2597475051879883 } }, { "source": "CID:5205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610243", "properties": { "id": "setiptiline-penitrem-a similarity", "source_label": "setiptiline", "target_label": "penitrem-a", "cosine_similarity": 0.56475430727005 } }, { "source": "CID:5311181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "iloprost-SA-427543 similarity", "source_label": "iloprost", "target_label": "SA-427543", "cosine_similarity": 0.2786712348461151 } }, { "source": "CID:22416236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "KU-C103655-EMF-sumo1-11 similarity", "source_label": "KU-C103655", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.3695658147335052 } }, { "source": "CID:3011155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3314", "properties": { "id": "nelarabine-eugenol similarity", "source_label": "nelarabine", "target_label": "eugenol", "cosine_similarity": 0.328483521938324 } }, { "source": "CID:5074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "ritanserin-hydrocortisone-acetate similarity", "source_label": "ritanserin", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.2452689111232757 } }, { "source": "CID:4764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "phenolphthalein-L-ergothioneine similarity", "source_label": "phenolphthalein", "target_label": "L-ergothioneine", "cosine_similarity": 0.4879146516323089 } }, { "source": "CID:323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "coumarin-thalidomide similarity", "source_label": "coumarin", "target_label": "thalidomide", "cosine_similarity": 0.3202671408653259 } }, { "source": "CID:3033818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "dolasetron-ABT-202 similarity", "source_label": "dolasetron", "target_label": "ABT-202", "cosine_similarity": 0.2919089794158935 } }, { "source": "CID:4990100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446556", "properties": { "id": "kynuramine-pemetrexed similarity", "source_label": "kynuramine", "target_label": "pemetrexed", "cosine_similarity": 0.2271345853805542 } }, { "source": "CID:44494000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668813", "properties": { "id": "SA-243423-SA-1921816 similarity", "source_label": "SA-243423", "target_label": "SA-1921816", "cosine_similarity": 0.3508587777614593 } }, { "source": "CID:3645619", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "PD-168077-epicatechin similarity", "source_label": "PD-168077", "target_label": "epicatechin", "cosine_similarity": 0.3010765314102173 } }, { "source": "CID:2264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "azasetron-FTI-276 similarity", "source_label": "azasetron", "target_label": "FTI-276", "cosine_similarity": 0.2681721448898315 } }, { "source": "CID:13505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44968231", "properties": { "id": "diphenoxylate-ML-167 similarity", "source_label": "diphenoxylate", "target_label": "ML-167", "cosine_similarity": 0.1639915555715561 } }, { "source": "CID:5281104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280453", "properties": { "id": "paricalcitol-calcitriol similarity", "source_label": "paricalcitol", "target_label": "calcitriol", "cosine_similarity": 0.4160683751106262 } }, { "source": "CID:54660111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667998", "properties": { "id": "SA-1459481-SA-1920080 similarity", "source_label": "SA-1459481", "target_label": "SA-1920080", "cosine_similarity": 0.3638373613357544 } }, { "source": "CID:6256", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457964", "properties": { "id": "trifluridine-aphidicolin similarity", "source_label": "trifluridine", "target_label": "aphidicolin", "cosine_similarity": 0.6062979102134705 } }, { "source": "CID:214346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2581", "properties": { "id": "BCI-540-carprofen similarity", "source_label": "BCI-540", "target_label": "carprofen", "cosine_similarity": 0.3941717147827148 } }, { "source": "CID:33625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "indoramin-methimazole similarity", "source_label": "indoramin", "target_label": "methimazole", "cosine_similarity": 0.3482167720794678 } }, { "source": "CID:20854195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "KUC104235N-dubinidine similarity", "source_label": "KUC104235N", "target_label": "dubinidine", "cosine_similarity": 0.3324182331562042 } }, { "source": "CID:5735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610281", "properties": { "id": "zopiclone-lithium-chloride similarity", "source_label": "zopiclone", "target_label": "lithium-chloride", "cosine_similarity": 0.4924680888652801 } }, { "source": "CID:60189878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666593", "properties": { "id": "SA-1939936-SA-1920687 similarity", "source_label": "SA-1939936", "target_label": "SA-1920687", "cosine_similarity": 0.2213970869779586 } }, { "source": "CID:3795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "WHI-P154-erlotinib similarity", "source_label": "WHI-P154", "target_label": "erlotinib", "cosine_similarity": 0.5410912036895752 } }, { "source": "CID:3903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "leu-enkephalin-VU-0405172-2 similarity", "source_label": "leu-enkephalin", "target_label": "VU-0405172-2", "cosine_similarity": 0.3993076682090759 } }, { "source": "CID:8400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13109", "properties": { "id": "benzoin-levonorgestrel similarity", "source_label": "benzoin", "target_label": "levonorgestrel", "cosine_similarity": 0.2370547205209732 } }, { "source": "CID:2130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47510", "properties": { "id": "amantadine-lidamidine similarity", "source_label": "amantadine", "target_label": "lidamidine", "cosine_similarity": 0.3382168412208557 } }, { "source": "CID:9860529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57363", "properties": { "id": "NU-7026-finasteride similarity", "source_label": "NU-7026", "target_label": "finasteride", "cosine_similarity": 0.3850794434547424 } }, { "source": "CID:62959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978813", "properties": { "id": "trovafloxacin-brexpiprazole similarity", "source_label": "trovafloxacin", "target_label": "brexpiprazole", "cosine_similarity": 0.4224044680595398 } }, { "source": "CID:6918155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21700", "properties": { "id": "ciclesonide-beclomethasone-dipropionate similarity", "source_label": "ciclesonide", "target_label": "beclomethasone-dipropionate", "cosine_similarity": 0.6263594031333923 } }, { "source": "CID:1392066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "MW-STK33-100-MW-STK33-2B similarity", "source_label": "MW-STK33-100", "target_label": "MW-STK33-2B", "cosine_similarity": 0.7324272394180298 } }, { "source": "CID:73707536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "BG-1007-NCH-51 similarity", "source_label": "BG-1007", "target_label": "NCH-51", "cosine_similarity": 0.4847722947597503 } }, { "source": "CID:44490413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "SA-432998-fumonisin-b1 similarity", "source_label": "SA-432998", "target_label": "fumonisin-b1", "cosine_similarity": 0.3166674077510834 } }, { "source": "CID:3373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "flumazenil-chloroquine similarity", "source_label": "flumazenil", "target_label": "chloroquine", "cosine_similarity": 0.250499814748764 } }, { "source": "CID:46215462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "R-428-CAM-9-027-3 similarity", "source_label": "R-428", "target_label": "CAM-9-027-3", "cosine_similarity": 0.5032634735107422 } }, { "source": "CID:214346", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3059", "properties": { "id": "BCI-540-diflunisal similarity", "source_label": "BCI-540", "target_label": "diflunisal", "cosine_similarity": 0.4012910723686218 } }, { "source": "CID:44602378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "KU-C104129-evoxine similarity", "source_label": "KU-C104129", "target_label": "evoxine", "cosine_similarity": 0.2785841226577759 } }, { "source": "CID:16667722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "acadesine-linsidomine similarity", "source_label": "acadesine", "target_label": "linsidomine", "cosine_similarity": 0.3727649748325348 } }, { "source": "CID:10029385", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "LY-2090314-SB-216763 similarity", "source_label": "LY-2090314", "target_label": "SB-216763", "cosine_similarity": 0.536214292049408 } }, { "source": "CID:50942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "doxofylline-CO-102862 similarity", "source_label": "doxofylline", "target_label": "CO-102862", "cosine_similarity": 0.3269588351249695 } }, { "source": "CID:2123", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "altretamine-methimazole similarity", "source_label": "altretamine", "target_label": "methimazole", "cosine_similarity": 0.3550040125846863 } }, { "source": "CID:44629742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604789", "properties": { "id": "KU-C104250-RS-56812 similarity", "source_label": "KU-C104250", "target_label": "RS-56812", "cosine_similarity": 0.2505958974361419 } }, { "source": "CID:5720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "zaltoprofen-camostat-mesilate similarity", "source_label": "zaltoprofen", "target_label": "camostat-mesilate", "cosine_similarity": 0.2059385031461715 } }, { "source": "CID:54657742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9616928", "properties": { "id": "SA-1455791-MW-MITF24 similarity", "source_label": "SA-1455791", "target_label": "MW-MITF24", "cosine_similarity": 0.2537652850151062 } }, { "source": "CID:49849909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "DM-161-gossypin similarity", "source_label": "DM-161", "target_label": "gossypin", "cosine_similarity": 0.3356652557849884 } }, { "source": "CID:4994", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:708857", "properties": { "id": "pyrithyldione-pyrantel-pamoate similarity", "source_label": "pyrithyldione", "target_label": "pyrantel-pamoate", "cosine_similarity": 0.239221453666687 } }, { "source": "CID:135411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "CD-437-SN-38 similarity", "source_label": "CD-437", "target_label": "SN-38", "cosine_similarity": 0.7342566847801208 } }, { "source": "CID:6918236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "perzinfotel-nilvadipine similarity", "source_label": "perzinfotel", "target_label": "nilvadipine", "cosine_similarity": 0.4195802509784698 } }, { "source": "CID:11238823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "azilsartan-medoxomil-tyrphostin-A9 similarity", "source_label": "azilsartan-medoxomil", "target_label": "tyrphostin-A9", "cosine_similarity": 0.2788112759590149 } }, { "source": "CID:1697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11631681", "properties": { "id": "CGP-52411-Ro-3306 similarity", "source_label": "CGP-52411", "target_label": "Ro-3306", "cosine_similarity": 0.2754851579666137 } }, { "source": "CID:6708532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208898", "properties": { "id": "methyl-angolensate-dronedarone similarity", "source_label": "methyl-angolensate", "target_label": "dronedarone", "cosine_similarity": 0.1553283333778381 } }, { "source": "CID:6597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "dichloroacetic-acid-parecoxib similarity", "source_label": "dichloroacetic-acid", "target_label": "parecoxib", "cosine_similarity": 0.2839249074459076 } }, { "source": "CID:13927312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "KU-C103443N-NNC-55-0396 similarity", "source_label": "KU-C103443N", "target_label": "NNC-55-0396", "cosine_similarity": 0.3472793400287628 } }, { "source": "CID:44505490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-419172-SA-244358 similarity", "source_label": "SA-419172", "target_label": "SA-244358", "cosine_similarity": 0.4094406962394714 } }, { "source": "CID:71781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "MDL-11939-dubinidine similarity", "source_label": "MDL-11939", "target_label": "dubinidine", "cosine_similarity": 0.4115802645683288 } }, { "source": "CID:46854655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134780", "properties": { "id": "AMG-837-pomalidomide similarity", "source_label": "AMG-837", "target_label": "pomalidomide", "cosine_similarity": 0.2770593166351318 } }, { "source": "CID:2131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2955", "properties": { "id": "ambenonium-dapsone similarity", "source_label": "ambenonium", "target_label": "dapsone", "cosine_similarity": 0.2098960876464843 } }, { "source": "CID:19728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "noscapine-lorazepam similarity", "source_label": "noscapine", "target_label": "lorazepam", "cosine_similarity": 0.3039564192295074 } }, { "source": "CID:119032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "NO-ASA-NSC-3852 similarity", "source_label": "NO-ASA", "target_label": "NSC-3852", "cosine_similarity": 0.5510377287864685 } }, { "source": "CID:3166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2723", "properties": { "id": "drofenine-chloroxylenol similarity", "source_label": "drofenine", "target_label": "chloroxylenol", "cosine_similarity": 0.5515658259391785 } }, { "source": "CID:73707508", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "lynestrenol-methyl-fasudil similarity", "source_label": "lynestrenol", "target_label": "methyl-fasudil", "cosine_similarity": 0.2095842212438583 } }, { "source": "CID:2326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483977", "properties": { "id": "benproperine-DM-55-3 similarity", "source_label": "benproperine", "target_label": "DM-55-3", "cosine_similarity": 0.3704134225845337 } }, { "source": "CID:5497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11691726", "properties": { "id": "nikethamide-balapiravir similarity", "source_label": "nikethamide", "target_label": "balapiravir", "cosine_similarity": 0.3730562627315521 } }, { "source": "CID:3248000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "3'-fluorobenzylspiperone-CGP-71683 similarity", "source_label": "3'-fluorobenzylspiperone", "target_label": "CGP-71683", "cosine_similarity": 0.5663362741470337 } }, { "source": "CID:5702068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "hydrocortisone-acetate-KU-C104140 similarity", "source_label": "hydrocortisone-acetate", "target_label": "KU-C104140", "cosine_similarity": 0.3866681754589081 } }, { "source": "CID:60190539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659991", "properties": { "id": "SA-1939945-SA-1456576 similarity", "source_label": "SA-1939945", "target_label": "SA-1456576", "cosine_similarity": 0.2699629962444305 } }, { "source": "CID:6421522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "proxyfan-iniparib similarity", "source_label": "proxyfan", "target_label": "iniparib", "cosine_similarity": 0.2056515514850616 } }, { "source": "CID:1683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:96946", "properties": { "id": "bemesetron-lobelanidine similarity", "source_label": "bemesetron", "target_label": "lobelanidine", "cosine_similarity": 0.2675071060657501 } }, { "source": "CID:5878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82146", "properties": { "id": "oxandrolone-bexarotene similarity", "source_label": "oxandrolone", "target_label": "bexarotene", "cosine_similarity": 0.2547473609447479 } }, { "source": "CID:192706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176408", "properties": { "id": "phenserine-SCH-58261 similarity", "source_label": "phenserine", "target_label": "SCH-58261", "cosine_similarity": 0.3177922070026397 } }, { "source": "CID:39468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57697", "properties": { "id": "levobunolol-pemirolast similarity", "source_label": "levobunolol", "target_label": "pemirolast", "cosine_similarity": 0.3524749875068664 } }, { "source": "CID:6708539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "rotenonic-acid-SMER-28 similarity", "source_label": "rotenonic-acid", "target_label": "SMER-28", "cosine_similarity": 0.227766752243042 } }, { "source": "CID:21109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:166558", "properties": { "id": "trimetazidine-avasimibe similarity", "source_label": "trimetazidine", "target_label": "avasimibe", "cosine_similarity": 0.2453329414129257 } }, { "source": "CID:5870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3488", "properties": { "id": "estrone-glibenclamide similarity", "source_label": "estrone", "target_label": "glibenclamide", "cosine_similarity": 0.4356923401355743 } }, { "source": "CID:10219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369716", "properties": { "id": "emetine-verrucarin-a similarity", "source_label": "emetine", "target_label": "verrucarin-a", "cosine_similarity": 0.7768816351890564 } }, { "source": "CID:13019152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "isosorbide-orciprenaline similarity", "source_label": "isosorbide", "target_label": "orciprenaline", "cosine_similarity": 0.202663242816925 } }, { "source": "CID:3036864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "SCH-23390-Gossypetin similarity", "source_label": "SCH-23390", "target_label": "Gossypetin", "cosine_similarity": 0.3335484564304352 } }, { "source": "CID:5758458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "thiazolopyrimidine-fluoropyruvate similarity", "source_label": "thiazolopyrimidine", "target_label": "fluoropyruvate", "cosine_similarity": 0.5411211848258972 } }, { "source": "CID:44483265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "solanine-hemado similarity", "source_label": "solanine", "target_label": "hemado", "cosine_similarity": 0.2770039439201355 } }, { "source": "CID:10275789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "PIK-75-alvocidib similarity", "source_label": "PIK-75", "target_label": "alvocidib", "cosine_similarity": 0.859281599521637 } }, { "source": "CID:3333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "felodipine-PF-04620110 similarity", "source_label": "felodipine", "target_label": "PF-04620110", "cosine_similarity": 0.5538089871406555 } }, { "source": "CID:19667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "bephenium-levopropoxyphene similarity", "source_label": "bephenium", "target_label": "levopropoxyphene", "cosine_similarity": 0.2860595881938934 } }, { "source": "CID:639665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "xanthohumol-butein similarity", "source_label": "xanthohumol", "target_label": "butein", "cosine_similarity": 0.4479034543037414 } }, { "source": "CID:39186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9816959", "properties": { "id": "diltiazem-CO-102862 similarity", "source_label": "diltiazem", "target_label": "CO-102862", "cosine_similarity": 0.3322325050830841 } }, { "source": "CID:5282219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "sofalcone-histamine similarity", "source_label": "sofalcone", "target_label": "histamine", "cosine_similarity": 0.495462417602539 } }, { "source": "CID:149096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10052040", "properties": { "id": "levofloxacin-CP-945598 similarity", "source_label": "levofloxacin", "target_label": "CP-945598", "cosine_similarity": 0.4605401754379272 } }, { "source": "CID:4712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "PD-169316-zebularine similarity", "source_label": "PD-169316", "target_label": "zebularine", "cosine_similarity": 0.3241321742534637 } }, { "source": "CID:11667893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "motesanib-danegaptide similarity", "source_label": "motesanib", "target_label": "danegaptide", "cosine_similarity": 0.3926202058792114 } }, { "source": "CID:11955855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135565545", "properties": { "id": "LY-2603618-PF-477736 similarity", "source_label": "LY-2603618", "target_label": "PF-477736", "cosine_similarity": 0.4625485837459564 } }, { "source": "CID:68602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918324", "properties": { "id": "medetomidine-tonabersat similarity", "source_label": "medetomidine", "target_label": "tonabersat", "cosine_similarity": 0.4048987925052643 } }, { "source": "CID:3090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5386", "properties": { "id": "dimetridazole-tegafur similarity", "source_label": "dimetridazole", "target_label": "tegafur", "cosine_similarity": 0.2472308874130249 } }, { "source": "CID:11626560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "crizotinib-tamoxifen similarity", "source_label": "crizotinib", "target_label": "tamoxifen", "cosine_similarity": 0.5453405380249023 } }, { "source": "CID:44502953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6473767", "properties": { "id": "SD-6-035-B4-picrotoxin similarity", "source_label": "SD-6-035-B4", "target_label": "picrotoxin", "cosine_similarity": 0.268902450799942 } }, { "source": "CID:6037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11689883", "properties": { "id": "folic-acid-omecamtiv-mecarbil similarity", "source_label": "folic-acid", "target_label": "omecamtiv-mecarbil", "cosine_similarity": 0.4471292793750763 } }, { "source": "CID:4499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "nisoldipine-pazopanib similarity", "source_label": "nisoldipine", "target_label": "pazopanib", "cosine_similarity": 0.2756646871566772 } }, { "source": "CID:5702095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "noretynodrel-navitoclax similarity", "source_label": "noretynodrel", "target_label": "navitoclax", "cosine_similarity": 0.268720418214798 } }, { "source": "CID:3899541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "DNQX-benzbromarone similarity", "source_label": "DNQX", "target_label": "benzbromarone", "cosine_similarity": 0.2846364378929138 } }, { "source": "CID:135511839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284585", "properties": { "id": "carbadox-loracarbef similarity", "source_label": "carbadox", "target_label": "loracarbef", "cosine_similarity": 0.234823539853096 } }, { "source": "CID:3156", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2955", "properties": { "id": "doxapram-dapsone similarity", "source_label": "doxapram", "target_label": "dapsone", "cosine_similarity": 0.2884480953216553 } }, { "source": "CID:2719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "chloroquine-PT-630 similarity", "source_label": "chloroquine", "target_label": "PT-630", "cosine_similarity": 0.4674372375011444 } }, { "source": "CID:2757979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44201003", "properties": { "id": "2-cyanopyrimidine-DBPR-108 similarity", "source_label": "2-cyanopyrimidine", "target_label": "DBPR-108", "cosine_similarity": 0.1717257499694824 } }, { "source": "CID:4122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "nocodazole-D-64131 similarity", "source_label": "nocodazole", "target_label": "D-64131", "cosine_similarity": 0.863551914691925 } }, { "source": "CID:2993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "dequalinium-neratinib similarity", "source_label": "dequalinium", "target_label": "neratinib", "cosine_similarity": 0.3860636055469513 } }, { "source": "CID:51038269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "GZD-824-HG-6-64-01 similarity", "source_label": "GZD-824", "target_label": "HG-6-64-01", "cosine_similarity": 0.5585595369338989 } }, { "source": "CID:5280953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "harmine-thalidomide similarity", "source_label": "harmine", "target_label": "thalidomide", "cosine_similarity": 0.4595288634300232 } }, { "source": "CID:5338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "sulfaquinoxaline-nadolol similarity", "source_label": "sulfaquinoxaline", "target_label": "nadolol", "cosine_similarity": 0.2928041517734527 } }, { "source": "CID:54654640", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "SA-1472514-LY-2886721 similarity", "source_label": "SA-1472514", "target_label": "LY-2886721", "cosine_similarity": 0.2388622760772705 } }, { "source": "CID:446284", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123683", "properties": { "id": "icosapent-IB-MECA similarity", "source_label": "icosapent", "target_label": "IB-MECA", "cosine_similarity": 0.2511047720909118 } }, { "source": "CID:5282060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "heliomycin-I-070759 similarity", "source_label": "heliomycin", "target_label": "I-070759", "cosine_similarity": 0.7022886872291565 } }, { "source": "CID:15387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2063", "properties": { "id": "melperone-tyrphostin-1 similarity", "source_label": "melperone", "target_label": "tyrphostin-1", "cosine_similarity": 0.2510603964328766 } }, { "source": "CID:7048637", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "cefalotin-lasalocid similarity", "source_label": "cefalotin", "target_label": "lasalocid", "cosine_similarity": 0.2569262385368347 } }, { "source": "CID:3971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943432", "properties": { "id": "LY-303511-I-BET-762 similarity", "source_label": "LY-303511", "target_label": "I-BET-762", "cosine_similarity": 0.3275425434112549 } }, { "source": "CID:135398738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "dacarbazine-camicinal similarity", "source_label": "dacarbazine", "target_label": "camicinal", "cosine_similarity": 0.4561594426631927 } }, { "source": "CID:4614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "oxaprozin-benzbromarone similarity", "source_label": "oxaprozin", "target_label": "benzbromarone", "cosine_similarity": 0.4417172372341156 } }, { "source": "CID:6710622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1794", "properties": { "id": "bicuculline-hexamethyleneamiloride similarity", "source_label": "bicuculline", "target_label": "hexamethyleneamiloride", "cosine_similarity": 0.298205554485321 } }, { "source": "CID:1893730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "XL-147-GDC-0199 similarity", "source_label": "XL-147", "target_label": "GDC-0199", "cosine_similarity": 0.2754608690738678 } }, { "source": "CID:4211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "mitotane-GW-5074 similarity", "source_label": "mitotane", "target_label": "GW-5074", "cosine_similarity": 0.2780920565128326 } }, { "source": "CID:2585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "carvedilol-danegaptide similarity", "source_label": "carvedilol", "target_label": "danegaptide", "cosine_similarity": 0.4636861383914947 } }, { "source": "CID:153241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1355", "properties": { "id": "merimepodib-mCPP similarity", "source_label": "merimepodib", "target_label": "mCPP", "cosine_similarity": 0.4205762147903442 } }, { "source": "CID:17507", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3305", "properties": { "id": "etamsylate-etidronic-acid similarity", "source_label": "etamsylate", "target_label": "etidronic-acid", "cosine_similarity": 0.3059967160224914 } }, { "source": "CID:154575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "piclamilast-danegaptide similarity", "source_label": "piclamilast", "target_label": "danegaptide", "cosine_similarity": 0.2838046848773956 } }, { "source": "CID:135925692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "propylpyrazole-JZL-184 similarity", "source_label": "propylpyrazole", "target_label": "JZL-184", "cosine_similarity": 0.2286671102046966 } }, { "source": "CID:73707544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707550", "properties": { "id": "BG-1027-BG-1026 similarity", "source_label": "BG-1027", "target_label": "BG-1026", "cosine_similarity": 0.5083329081535339 } }, { "source": "CID:25262965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "AZD-8055-MLN-0128 similarity", "source_label": "AZD-8055", "target_label": "MLN-0128", "cosine_similarity": 0.8924825191497803 } }, { "source": "CID:5702199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44819697", "properties": { "id": "antimycin-a-CAY-10618 similarity", "source_label": "antimycin-a", "target_label": "CAY-10618", "cosine_similarity": 0.3253074288368225 } }, { "source": "CID:135398738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "dacarbazine-danegaptide similarity", "source_label": "dacarbazine", "target_label": "danegaptide", "cosine_similarity": 0.4968409836292267 } }, { "source": "CID:16654980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "buparlisib-PI-103 similarity", "source_label": "buparlisib", "target_label": "PI-103", "cosine_similarity": 0.7237680554389954 } }, { "source": "CID:72303", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "honokiol-apocynin similarity", "source_label": "honokiol", "target_label": "apocynin", "cosine_similarity": 0.5065646171569824 } }, { "source": "CID:755405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "ST-056792-CVF-SUMO-11 similarity", "source_label": "ST-056792", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.7022873759269714 } }, { "source": "CID:28871", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "fentiazac-marbofloxacin similarity", "source_label": "fentiazac", "target_label": "marbofloxacin", "cosine_similarity": 0.2873091399669647 } }, { "source": "CID:3033769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4171", "properties": { "id": "raclopride-metoprolol similarity", "source_label": "raclopride", "target_label": "metoprolol", "cosine_similarity": 0.3121677041053772 } }, { "source": "CID:11609955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11538455", "properties": { "id": "resminostat-JNJ-26481585 similarity", "source_label": "resminostat", "target_label": "JNJ-26481585", "cosine_similarity": 0.6968308687210083 } }, { "source": "CID:1140587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "BAS-02859604-macitentan similarity", "source_label": "BAS-02859604", "target_label": "macitentan", "cosine_similarity": 0.323788583278656 } }, { "source": "CID:54615019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44487652", "properties": { "id": "SA-424827-SA-85268 similarity", "source_label": "SA-424827", "target_label": "SA-85268", "cosine_similarity": 0.3255321681499481 } }, { "source": "CID:698112", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "AEG-3482-pifithrin-mu similarity", "source_label": "AEG-3482", "target_label": "pifithrin-mu", "cosine_similarity": 0.4176859855651855 } }, { "source": "CID:5466054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "ST-208960-phenoxazine similarity", "source_label": "ST-208960", "target_label": "phenoxazine", "cosine_similarity": 0.2831229865550995 } }, { "source": "CID:5962587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "triacetylresveratrol-L-citrulline similarity", "source_label": "triacetylresveratrol", "target_label": "L-citrulline", "cosine_similarity": 0.262435108423233 } }, { "source": "CID:49766518", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "TL-HRAS-24-K784-3188 similarity", "source_label": "TL-HRAS-24", "target_label": "K784-3188", "cosine_similarity": 0.4701933264732361 } }, { "source": "CID:5073", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "risperidone-zebularine similarity", "source_label": "risperidone", "target_label": "zebularine", "cosine_similarity": 0.4319777190685272 } }, { "source": "CID:133017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "rupatadine-L-ergothioneine similarity", "source_label": "rupatadine", "target_label": "L-ergothioneine", "cosine_similarity": 0.739249050617218 } }, { "source": "CID:378811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "MR-16728-proxyphylline similarity", "source_label": "MR-16728", "target_label": "proxyphylline", "cosine_similarity": 0.2311938554048538 } }, { "source": "CID:54659817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71759907", "properties": { "id": "SA-1460032-SA-1939891 similarity", "source_label": "SA-1460032", "target_label": "SA-1939891", "cosine_similarity": 0.2668376266956329 } }, { "source": "CID:11210285", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10410894", "properties": { "id": "BML-284-LE-135 similarity", "source_label": "BML-284", "target_label": "LE-135", "cosine_similarity": 0.418571263551712 } }, { "source": "CID:16124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "medronic-acid-rimonabant similarity", "source_label": "medronic-acid", "target_label": "rimonabant", "cosine_similarity": 0.1640064120292663 } }, { "source": "CID:2293", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "BAPTA-AM-KU-C104486 similarity", "source_label": "BAPTA-AM", "target_label": "KU-C104486", "cosine_similarity": 0.3032757937908172 } }, { "source": "CID:9904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "nandrolone-riluzole similarity", "source_label": "nandrolone", "target_label": "riluzole", "cosine_similarity": 0.2523744106292724 } }, { "source": "CID:3306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5383", "properties": { "id": "etilefrine-tebuthiuron similarity", "source_label": "etilefrine", "target_label": "tebuthiuron", "cosine_similarity": 0.2971519827842712 } }, { "source": "CID:131411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "arbidol-vandetanib similarity", "source_label": "arbidol", "target_label": "vandetanib", "cosine_similarity": 0.3040741682052612 } }, { "source": "CID:197033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60164", "properties": { "id": "latrepirdine-adapalene similarity", "source_label": "latrepirdine", "target_label": "adapalene", "cosine_similarity": 0.1835815459489822 } }, { "source": "CID:5163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "SB-206553-quercetin similarity", "source_label": "SB-206553", "target_label": "quercetin", "cosine_similarity": 0.3200595080852508 } }, { "source": "CID:3270699", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "rhodomyrtoxin-b-NNC-55-0396 similarity", "source_label": "rhodomyrtoxin-b", "target_label": "NNC-55-0396", "cosine_similarity": 0.7489491701126099 } }, { "source": "CID:4060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "mephenytoin-FTI-276 similarity", "source_label": "mephenytoin", "target_label": "FTI-276", "cosine_similarity": 0.2528623938560486 } }, { "source": "CID:5606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:114811", "properties": { "id": "tulobuterol-florfenicol similarity", "source_label": "tulobuterol", "target_label": "florfenicol", "cosine_similarity": 0.2305404394865036 } }, { "source": "CID:5713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "YO-2-raloxifene similarity", "source_label": "YO-2", "target_label": "raloxifene", "cosine_similarity": 0.2225127071142196 } }, { "source": "CID:44618423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44246499", "properties": { "id": "SD-6-035-A1-TEPP-46 similarity", "source_label": "SD-6-035-A1", "target_label": "TEPP-46", "cosine_similarity": 0.2539604902267456 } }, { "source": "CID:2768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11201705", "properties": { "id": "dichlorodiamine-platinum-ivachtin similarity", "source_label": "dichlorodiamine-platinum", "target_label": "ivachtin", "cosine_similarity": 0.2407949566841125 } }, { "source": "CID:15387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "melperone-desoxypeganine similarity", "source_label": "melperone", "target_label": "desoxypeganine", "cosine_similarity": 0.260019838809967 } }, { "source": "CID:448912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760027", "properties": { "id": "aloisine-BML-259 similarity", "source_label": "aloisine", "target_label": "BML-259", "cosine_similarity": 0.3618249595165252 } }, { "source": "CID:12540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4160", "properties": { "id": "triphenyl-tin-methyl-testosterone similarity", "source_label": "triphenyl-tin", "target_label": "methyl-testosterone", "cosine_similarity": 0.2603570222854614 } }, { "source": "CID:5440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4932", "properties": { "id": "thiethylperazine-propafenone similarity", "source_label": "thiethylperazine", "target_label": "propafenone", "cosine_similarity": 0.1992785185575485 } }, { "source": "CID:644213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "GW-9662-PTB1 similarity", "source_label": "GW-9662", "target_label": "PTB1", "cosine_similarity": 0.4929918050765991 } }, { "source": "CID:88505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "DMNB-IDRA-21 similarity", "source_label": "DMNB", "target_label": "IDRA-21", "cosine_similarity": 0.4456307888031006 } }, { "source": "CID:5013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3052", "properties": { "id": "N-methylquipazine-diethylcarbamazine similarity", "source_label": "N-methylquipazine", "target_label": "diethylcarbamazine", "cosine_similarity": 0.3200331926345825 } }, { "source": "CID:6834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484225", "properties": { "id": "brompheniramine-SA-90030 similarity", "source_label": "brompheniramine", "target_label": "SA-90030", "cosine_similarity": 0.2989090085029602 } }, { "source": "CID:3277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "etazolate-mestranol similarity", "source_label": "etazolate", "target_label": "mestranol", "cosine_similarity": 0.3026669323444366 } }, { "source": "CID:33036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "dexchlorpheniramine-1-benzylimidazole similarity", "source_label": "dexchlorpheniramine", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2556900084018707 } }, { "source": "CID:449381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3969", "properties": { "id": "oseltamivir-carboxylate-tomelukast similarity", "source_label": "oseltamivir-carboxylate", "target_label": "tomelukast", "cosine_similarity": 0.4275594353675842 } }, { "source": "CID:5105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843054", "properties": { "id": "roxatidine-SD-6-035-A3 similarity", "source_label": "roxatidine", "target_label": "SD-6-035-A3", "cosine_similarity": 0.3019380867481231 } }, { "source": "CID:15548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:334704", "properties": { "id": "laudanosine-marmesin similarity", "source_label": "laudanosine", "target_label": "marmesin", "cosine_similarity": 0.2691965699195862 } }, { "source": "CID:5221450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9908992", "properties": { "id": "BML-286-RS-79948 similarity", "source_label": "BML-286", "target_label": "RS-79948", "cosine_similarity": 0.2290676832199096 } }, { "source": "CID:7061041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034756", "properties": { "id": "ethisterone-formoterol similarity", "source_label": "ethisterone", "target_label": "formoterol", "cosine_similarity": 0.1953426152467727 } }, { "source": "CID:5318562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "isoeugenol-diazoxide similarity", "source_label": "isoeugenol", "target_label": "diazoxide", "cosine_similarity": 0.2266261577606201 } }, { "source": "CID:44143370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5591", "properties": { "id": "KIN001-266-troglitazone similarity", "source_label": "KIN001-266", "target_label": "troglitazone", "cosine_similarity": 0.3437864482402801 } }, { "source": "CID:39981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2155128", "properties": { "id": "sparfosic-acid-IWP-2 similarity", "source_label": "sparfosic-acid", "target_label": "IWP-2", "cosine_similarity": 0.5684859752655029 } }, { "source": "CID:2132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "ambroxol-acrivastine similarity", "source_label": "ambroxol", "target_label": "acrivastine", "cosine_similarity": 0.3755508959293365 } }, { "source": "CID:364622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856224", "properties": { "id": "MNITMT-FU-JMBII113B similarity", "source_label": "MNITMT", "target_label": "FU-JMBII113B", "cosine_similarity": 0.2002339512109756 } }, { "source": "CID:6918509", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4514", "properties": { "id": "BIBN-4096-nizofenone similarity", "source_label": "BIBN-4096", "target_label": "nizofenone", "cosine_similarity": 0.255271315574646 } }, { "source": "CID:5218788", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "SIB-1757-phenoxazine similarity", "source_label": "SIB-1757", "target_label": "phenoxazine", "cosine_similarity": 0.2967519164085388 } }, { "source": "CID:135409453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "tegaserod-suloctidil similarity", "source_label": "tegaserod", "target_label": "suloctidil", "cosine_similarity": 0.6120321750640869 } }, { "source": "CID:44483939", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506644", "properties": { "id": "SA-1944378-SA-247508 similarity", "source_label": "SA-1944378", "target_label": "SA-247508", "cosine_similarity": 0.4512898027896881 } }, { "source": "CID:153005", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707593", "properties": { "id": "tyramine-JMV-431 similarity", "source_label": "tyramine", "target_label": "JMV-431", "cosine_similarity": 0.2428448498249054 } }, { "source": "CID:135565635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "PP-242-KU-0063794 similarity", "source_label": "PP-242", "target_label": "KU-0063794", "cosine_similarity": 0.3731523752212524 } }, { "source": "CID:149784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "EHNA-rolipram similarity", "source_label": "EHNA", "target_label": "rolipram", "cosine_similarity": 0.276851087808609 } }, { "source": "CID:5281743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2680", "properties": { "id": "retrorsine-cetraxate similarity", "source_label": "retrorsine", "target_label": "cetraxate", "cosine_similarity": 0.2362642586231231 } }, { "source": "CID:457193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644215", "properties": { "id": "dactinomycin-CGP-60474 similarity", "source_label": "dactinomycin", "target_label": "CGP-60474", "cosine_similarity": 0.7985979914665222 } }, { "source": "CID:3567002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11012", "properties": { "id": "RS-100329-gitoxigenin similarity", "source_label": "RS-100329", "target_label": "gitoxigenin", "cosine_similarity": 0.2729003131389618 } }, { "source": "CID:54892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "quinapril-lorcaserin similarity", "source_label": "quinapril", "target_label": "lorcaserin", "cosine_similarity": 0.3576430380344391 } }, { "source": "CID:6442177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6440033", "properties": { "id": "everolimus-temsirolimus similarity", "source_label": "everolimus", "target_label": "temsirolimus", "cosine_similarity": 0.8022263646125793 } }, { "source": "CID:176407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "ZM-241385-thiostrepton similarity", "source_label": "ZM-241385", "target_label": "thiostrepton", "cosine_similarity": 0.2481732219457626 } }, { "source": "CID:44187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4199", "properties": { "id": "cefoperazone-minaprine similarity", "source_label": "cefoperazone", "target_label": "minaprine", "cosine_similarity": 0.3962913155555725 } }, { "source": "CID:3903", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "leu-enkephalin-KU-C104140 similarity", "source_label": "leu-enkephalin", "target_label": "KU-C104140", "cosine_similarity": 0.4309454262256622 } }, { "source": "CID:44640181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "KU-C104495-dactinomycin similarity", "source_label": "KU-C104495", "target_label": "dactinomycin", "cosine_similarity": 0.4249939918518066 } }, { "source": "CID:54617432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669151", "properties": { "id": "SA-424380-SA-1921783 similarity", "source_label": "SA-424380", "target_label": "SA-1921783", "cosine_similarity": 0.2643313705921173 } }, { "source": "CID:11950170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4342", "properties": { "id": "KD-025-acecainide similarity", "source_label": "KD-025", "target_label": "acecainide", "cosine_similarity": 0.2033993899822235 } }, { "source": "CID:72376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442195", "properties": { "id": "narciclasine-cephaeline similarity", "source_label": "narciclasine", "target_label": "cephaeline", "cosine_similarity": 0.8270668387413025 } }, { "source": "CID:46742340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "VU-0418934-2-VU-0418939-2 similarity", "source_label": "VU-0418934-2", "target_label": "VU-0418939-2", "cosine_similarity": 0.8853684067726135 } }, { "source": "CID:5361202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "cefuroxime-DAC-009 similarity", "source_label": "cefuroxime", "target_label": "DAC-009", "cosine_similarity": 0.3510058224201202 } }, { "source": "CID:44483932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483885", "properties": { "id": "SA-423862-SA-244237 similarity", "source_label": "SA-423862", "target_label": "SA-244237", "cosine_similarity": 0.3562109470367431 } }, { "source": "CID:3230028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11705608", "properties": { "id": "KU-C104139-APD-668 similarity", "source_label": "KU-C104139", "target_label": "APD-668", "cosine_similarity": 0.2191442251205444 } }, { "source": "CID:10398360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "3-matida-MW-MITF9 similarity", "source_label": "3-matida", "target_label": "MW-MITF9", "cosine_similarity": 0.2807250022888183 } }, { "source": "CID:73707560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36273", "properties": { "id": "DASB-mecillinam similarity", "source_label": "DASB", "target_label": "mecillinam", "cosine_similarity": 0.1851863414049148 } }, { "source": "CID:16747776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "CHEMBL-399379-COL-3 similarity", "source_label": "CHEMBL-399379", "target_label": "COL-3", "cosine_similarity": 0.5302289128303528 } }, { "source": "CID:128268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "FPL-62064-NF-449 similarity", "source_label": "FPL-62064", "target_label": "NF-449", "cosine_similarity": 0.4302515983581543 } }, { "source": "CID:6710662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "fluocinolone-acetonide-fluticasone-propionate similarity", "source_label": "fluocinolone-acetonide", "target_label": "fluticasone-propionate", "cosine_similarity": 0.5941187739372253 } }, { "source": "CID:16759160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281718", "properties": { "id": "AZ-10417808-polydatin similarity", "source_label": "AZ-10417808", "target_label": "polydatin", "cosine_similarity": 0.2453183680772781 } }, { "source": "CID:65399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "triciribine-wortmannin similarity", "source_label": "triciribine", "target_label": "wortmannin", "cosine_similarity": 0.5291064381599426 } }, { "source": "CID:5391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:110635", "properties": { "id": "temazepam-tadalafil similarity", "source_label": "temazepam", "target_label": "tadalafil", "cosine_similarity": 0.2201174050569534 } }, { "source": "CID:77999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "rosiglitazone-saxagliptin similarity", "source_label": "rosiglitazone", "target_label": "saxagliptin", "cosine_similarity": 0.377725750207901 } }, { "source": "CID:46742340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "VU-0418934-2-VU-0410183-2 similarity", "source_label": "VU-0418934-2", "target_label": "VU-0410183-2", "cosine_similarity": 0.9046785235404968 } }, { "source": "CID:9918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "norcyclobenzaprine-CAY-10594 similarity", "source_label": "norcyclobenzaprine", "target_label": "CAY-10594", "cosine_similarity": 0.2994837462902069 } }, { "source": "CID:60063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "clinafloxacin-S-18986 similarity", "source_label": "clinafloxacin", "target_label": "S-18986", "cosine_similarity": 0.3468966484069824 } }, { "source": "CID:2733529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "baccatin-III-paclitaxel similarity", "source_label": "baccatin-III", "target_label": "paclitaxel", "cosine_similarity": 0.3238302171230316 } }, { "source": "CID:10288191", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16666708", "properties": { "id": "MEK-162-AZD-8330 similarity", "source_label": "MEK-162", "target_label": "AZD-8330", "cosine_similarity": 0.7063856720924377 } }, { "source": "CID:29985980", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "norgestrel-BMY-14802 similarity", "source_label": "norgestrel", "target_label": "BMY-14802", "cosine_similarity": 0.3271007537841797 } }, { "source": "CID:9874838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49849912", "properties": { "id": "T-98475-CAM-9-027-3 similarity", "source_label": "T-98475", "target_label": "CAM-9-027-3", "cosine_similarity": 0.6403160691261292 } }, { "source": "CID:4409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "nabumetone-VX-745 similarity", "source_label": "nabumetone", "target_label": "VX-745", "cosine_similarity": 0.2685405313968658 } }, { "source": "CID:216305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "alagebrium-nafamostat similarity", "source_label": "alagebrium", "target_label": "nafamostat", "cosine_similarity": 0.4244430661201477 } }, { "source": "CID:4858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "PJ-34-rucaparib similarity", "source_label": "PJ-34", "target_label": "rucaparib", "cosine_similarity": 0.4358528852462768 } }, { "source": "CID:46742345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "VU-0418939-2-VU-0418947-2 similarity", "source_label": "VU-0418939-2", "target_label": "VU-0418947-2", "cosine_similarity": 0.9040504097938538 } }, { "source": "CID:54676478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "roquinimex-taranabant similarity", "source_label": "roquinimex", "target_label": "taranabant", "cosine_similarity": 0.4991827309131622 } }, { "source": "CID:23789067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926574", "properties": { "id": "sisomicin-MW-A1-18 similarity", "source_label": "sisomicin", "target_label": "MW-A1-18", "cosine_similarity": 0.2364142537117004 } }, { "source": "CID:4133412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "DL-TBOA-amisulpride similarity", "source_label": "DL-TBOA", "target_label": "amisulpride", "cosine_similarity": 0.6160062551498413 } }, { "source": "CID:24094187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "UGISS-451-PD-198306 similarity", "source_label": "UGISS-451", "target_label": "PD-198306", "cosine_similarity": 0.3547641634941101 } }, { "source": "CID:65028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1400", "properties": { "id": "oseltamivir-phosphate-PP-1 similarity", "source_label": "oseltamivir-phosphate", "target_label": "PP-1", "cosine_similarity": 0.1541756838560104 } }, { "source": "CID:11703255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "resatorvid-primaquine similarity", "source_label": "resatorvid", "target_label": "primaquine", "cosine_similarity": 0.5928133726119995 } }, { "source": "CID:3326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "famprofazone-azathioprine similarity", "source_label": "famprofazone", "target_label": "azathioprine", "cosine_similarity": 0.2696128785610199 } }, { "source": "CID:65626", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "dimesna-sparfloxacin similarity", "source_label": "dimesna", "target_label": "sparfloxacin", "cosine_similarity": 0.4138028025627136 } }, { "source": "CID:6610216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "DL-PDMP-CAY-10594 similarity", "source_label": "DL-PDMP", "target_label": "CAY-10594", "cosine_similarity": 0.5344545841217041 } }, { "source": "CID:54658205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658423", "properties": { "id": "SA-1456102-SA-1460008 similarity", "source_label": "SA-1456102", "target_label": "SA-1460008", "cosine_similarity": 0.3503511548042297 } }, { "source": "CID:39147", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "nadolol-lenalidomide similarity", "source_label": "nadolol", "target_label": "lenalidomide", "cosine_similarity": 0.389605849981308 } }, { "source": "CID:5288783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288149", "properties": { "id": "calcipotriol-seocalcitol similarity", "source_label": "calcipotriol", "target_label": "seocalcitol", "cosine_similarity": 0.4801250696182251 } }, { "source": "CID:104845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23789069", "properties": { "id": "alfaxalone-nitrarine similarity", "source_label": "alfaxalone", "target_label": "nitrarine", "cosine_similarity": 0.2591712176799774 } }, { "source": "CID:10474339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "BMS-191011-DL-TBOA similarity", "source_label": "BMS-191011", "target_label": "DL-TBOA", "cosine_similarity": 0.5761497616767883 } }, { "source": "CID:44623839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25154867", "properties": { "id": "KU-C104233-PF-3845 similarity", "source_label": "KU-C104233", "target_label": "PF-3845", "cosine_similarity": 0.2081047743558883 } }, { "source": "CID:13292831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "prostaglandin-pifithrin-mu similarity", "source_label": "prostaglandin", "target_label": "pifithrin-mu", "cosine_similarity": 0.4962730705738067 } }, { "source": "CID:219078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "lacosamide-oxiconazole similarity", "source_label": "lacosamide", "target_label": "oxiconazole", "cosine_similarity": 0.4828334152698517 } }, { "source": "CID:4039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "meclofenoxate-A-61603 similarity", "source_label": "meclofenoxate", "target_label": "A-61603", "cosine_similarity": 0.3003924787044525 } }, { "source": "CID:44484010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-85764-SA-1458902 similarity", "source_label": "SA-85764", "target_label": "SA-1458902", "cosine_similarity": 0.2986770868301391 } }, { "source": "CID:938", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234049", "properties": { "id": "niacin-tedizolid similarity", "source_label": "niacin", "target_label": "tedizolid", "cosine_similarity": 0.4631012082099914 } }, { "source": "CID:5282060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "heliomycin-rhodomyrtoxin-b similarity", "source_label": "heliomycin", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.7461370229721069 } }, { "source": "CID:3002120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "sulbutiamine-dapivirine similarity", "source_label": "sulbutiamine", "target_label": "dapivirine", "cosine_similarity": 0.5186131596565247 } }, { "source": "CID:9839842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "MAZ-51-KX-2391 similarity", "source_label": "MAZ-51", "target_label": "KX-2391", "cosine_similarity": 0.3963834047317505 } }, { "source": "CID:44462705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "KU-C103654-darinaparsin similarity", "source_label": "KU-C103654", "target_label": "darinaparsin", "cosine_similarity": 0.2603473365306854 } }, { "source": "CID:24747231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4906", "properties": { "id": "JAS07-009-prilocaine similarity", "source_label": "JAS07-009", "target_label": "prilocaine", "cosine_similarity": 0.2413600087165832 } }, { "source": "CID:34870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54688261", "properties": { "id": "amineptine-warfarin similarity", "source_label": "amineptine", "target_label": "warfarin", "cosine_similarity": 0.4681266546249389 } }, { "source": "CID:10184653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "afatinib-neratinib similarity", "source_label": "afatinib", "target_label": "neratinib", "cosine_similarity": 0.7277534604072571 } }, { "source": "CID:44251605", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "LY-2811376-SB-683698 similarity", "source_label": "LY-2811376", "target_label": "SB-683698", "cosine_similarity": 0.3674514889717102 } }, { "source": "CID:2936384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46943258", "properties": { "id": "SF-11-VU-0424206-1 similarity", "source_label": "SF-11", "target_label": "VU-0424206-1", "cosine_similarity": 0.214124783873558 } }, { "source": "CID:446556", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "pemetrexed-BMS-641988 similarity", "source_label": "pemetrexed", "target_label": "BMS-641988", "cosine_similarity": 0.5640756487846375 } }, { "source": "CID:3467590", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4139", "properties": { "id": "STO-609-methylene-blue similarity", "source_label": "STO-609", "target_label": "methylene-blue", "cosine_similarity": 0.2459562569856643 } }, { "source": "CID:2566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "carbofuran-thalidomide similarity", "source_label": "carbofuran", "target_label": "thalidomide", "cosine_similarity": 0.311278223991394 } }, { "source": "CID:3248571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741282", "properties": { "id": "SB-258585-SDM-25N similarity", "source_label": "SB-258585", "target_label": "SDM-25N", "cosine_similarity": 0.2054939568042755 } }, { "source": "CID:44505769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "SA-418267-SA-89763 similarity", "source_label": "SA-418267", "target_label": "SA-89763", "cosine_similarity": 0.3042547702789306 } }, { "source": "CID:8249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2244", "properties": { "id": "phenformin-aspirin similarity", "source_label": "phenformin", "target_label": "aspirin", "cosine_similarity": 0.4577954709529876 } }, { "source": "CID:4237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "mofezolac-myricetin similarity", "source_label": "mofezolac", "target_label": "myricetin", "cosine_similarity": 0.2568307518959045 } }, { "source": "CID:20054848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657255", "properties": { "id": "bietaserpine-suloctidil similarity", "source_label": "bietaserpine", "target_label": "suloctidil", "cosine_similarity": 0.2639003396034241 } }, { "source": "CID:2125", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10173277", "properties": { "id": "AM-251-STA-5326 similarity", "source_label": "AM-251", "target_label": "STA-5326", "cosine_similarity": 0.2606323361396789 } }, { "source": "CID:680501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11455910", "properties": { "id": "AMG-9810-TW-37 similarity", "source_label": "AMG-9810", "target_label": "TW-37", "cosine_similarity": 0.3306385278701782 } }, { "source": "CID:156414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445562", "properties": { "id": "canertinib-pelitinib similarity", "source_label": "canertinib", "target_label": "pelitinib", "cosine_similarity": 0.5464304089546204 } }, { "source": "CID:650919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "ST-4049616-DAC-004 similarity", "source_label": "ST-4049616", "target_label": "DAC-004", "cosine_similarity": 0.3397344052791595 } }, { "source": "CID:3728", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:362328", "properties": { "id": "iodoquinol-NSC-625987 similarity", "source_label": "iodoquinol", "target_label": "NSC-625987", "cosine_similarity": 0.6199712157249451 } }, { "source": "CID:3038495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13013971", "properties": { "id": "BP-897-depomedrol similarity", "source_label": "BP-897", "target_label": "depomedrol", "cosine_similarity": 0.2214962691068649 } }, { "source": "CID:1088438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "ML-130-Gly-Gly-PALO similarity", "source_label": "ML-130", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2960792183876037 } }, { "source": "CID:9882625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134044", "properties": { "id": "PSB-11-labetalol similarity", "source_label": "PSB-11", "target_label": "labetalol", "cosine_similarity": 0.2700304687023163 } }, { "source": "CID:73707350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5352062", "properties": { "id": "BG-1029-romidepsin similarity", "source_label": "BG-1029", "target_label": "romidepsin", "cosine_similarity": 0.5414928793907166 } }, { "source": "CID:2973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "deferoxamine-mesylate-pridinol similarity", "source_label": "deferoxamine-mesylate", "target_label": "pridinol", "cosine_similarity": 0.5076053738594055 } }, { "source": "CID:44484222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-90024-SA-1919248 similarity", "source_label": "SA-90024", "target_label": "SA-1919248", "cosine_similarity": 0.3182002604007721 } }, { "source": "CID:54614567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654613", "properties": { "id": "SA-441181-SA-1463838 similarity", "source_label": "SA-441181", "target_label": "SA-1463838", "cosine_similarity": 0.3619820773601532 } }, { "source": "CID:54657693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657695", "properties": { "id": "SA-1973509-SA-1973497 similarity", "source_label": "SA-1973509", "target_label": "SA-1973497", "cosine_similarity": 0.5691823363304138 } }, { "source": "CID:15548", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "laudanosine-Gossypetin similarity", "source_label": "laudanosine", "target_label": "Gossypetin", "cosine_similarity": 0.312330812215805 } }, { "source": "CID:2777391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "T-0070907-AG-592 similarity", "source_label": "T-0070907", "target_label": "AG-592", "cosine_similarity": 0.3479642570018768 } }, { "source": "CID:5284514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60769", "properties": { "id": "acrivastine-MDL-73005EF similarity", "source_label": "acrivastine", "target_label": "MDL-73005EF", "cosine_similarity": 0.542204737663269 } }, { "source": "CID:46199646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56959", "properties": { "id": "VX-661-ranolazine similarity", "source_label": "VX-661", "target_label": "ranolazine", "cosine_similarity": 0.3270753920078277 } }, { "source": "CID:5320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "sulfacetamide-piperacillin similarity", "source_label": "sulfacetamide", "target_label": "piperacillin", "cosine_similarity": 0.305742084980011 } }, { "source": "CID:42433517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5533", "properties": { "id": "baicalin-trazodone similarity", "source_label": "baicalin", "target_label": "trazodone", "cosine_similarity": 0.2814643979072571 } }, { "source": "CID:188244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5221450", "properties": { "id": "allantoxanamide-BML-286 similarity", "source_label": "allantoxanamide", "target_label": "BML-286", "cosine_similarity": 0.2073131948709488 } }, { "source": "CID:1258678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "ST-014075-MW-STK33-4C similarity", "source_label": "ST-014075", "target_label": "MW-STK33-4C", "cosine_similarity": 0.366829514503479 } }, { "source": "CID:44507283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492524", "properties": { "id": "SA-247592-SA-242939 similarity", "source_label": "SA-247592", "target_label": "SA-242939", "cosine_similarity": 0.2852257490158081 } }, { "source": "CID:896331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "ARG-CSC-22-GSK-J2 similarity", "source_label": "ARG-CSC-22", "target_label": "GSK-J2", "cosine_similarity": 0.3197596967220306 } }, { "source": "CID:122718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2817242", "properties": { "id": "usnic-acid-BML-266 similarity", "source_label": "usnic-acid", "target_label": "BML-266", "cosine_similarity": 0.279646635055542 } }, { "source": "CID:9838712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "reparixin-lomerizine similarity", "source_label": "reparixin", "target_label": "lomerizine", "cosine_similarity": 0.3203986585140228 } }, { "source": "CID:97807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1853", "properties": { "id": "safrolglycol-phenanthridone similarity", "source_label": "safrolglycol", "target_label": "phenanthridone", "cosine_similarity": 0.3321390151977539 } }, { "source": "CID:54657757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330535", "properties": { "id": "SA-1459008-D-64406 similarity", "source_label": "SA-1459008", "target_label": "D-64406", "cosine_similarity": 0.1772368997335434 } }, { "source": "CID:5273569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "fraxetin-T-5345967 similarity", "source_label": "fraxetin", "target_label": "T-5345967", "cosine_similarity": 0.3207005262374878 } }, { "source": "CID:122272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "BMS-182874-flutrimazole similarity", "source_label": "BMS-182874", "target_label": "flutrimazole", "cosine_similarity": 0.2655621469020843 } }, { "source": "CID:60186845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-1938757-SA-1925610 similarity", "source_label": "SA-1938757", "target_label": "SA-1925610", "cosine_similarity": 0.2615593671798706 } }, { "source": "CID:122327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "CI-976-DL-TBOA similarity", "source_label": "CI-976", "target_label": "DL-TBOA", "cosine_similarity": 0.3975445926189422 } }, { "source": "CID:3853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "L-745870-dropropizine similarity", "source_label": "L-745870", "target_label": "dropropizine", "cosine_similarity": 0.2108454406261444 } }, { "source": "CID:4139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "methylene-blue-azacitidine similarity", "source_label": "methylene-blue", "target_label": "azacitidine", "cosine_similarity": 0.3588378727436065 } }, { "source": "CID:644215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "CGP-60474-triptolide similarity", "source_label": "CGP-60474", "target_label": "triptolide", "cosine_similarity": 0.8207535147666931 } }, { "source": "CID:3275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71657455", "properties": { "id": "etafenone-ivosidenib similarity", "source_label": "etafenone", "target_label": "ivosidenib", "cosine_similarity": 0.2382401823997497 } }, { "source": "CID:11270783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4850", "properties": { "id": "GS-6201-piribedil similarity", "source_label": "GS-6201", "target_label": "piribedil", "cosine_similarity": 0.2000514864921569 } }, { "source": "CID:41214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "meglitinide-clofibric-acid similarity", "source_label": "meglitinide", "target_label": "clofibric-acid", "cosine_similarity": 0.4783998131752014 } }, { "source": "CID:135398745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "olanzapine-estramustine-phosphate similarity", "source_label": "olanzapine", "target_label": "estramustine-phosphate", "cosine_similarity": 0.3653736710548401 } }, { "source": "CID:3019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "diazoxide-linsidomine similarity", "source_label": "diazoxide", "target_label": "linsidomine", "cosine_similarity": 0.6707943081855774 } }, { "source": "CID:3169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "dropropizine-rolipram similarity", "source_label": "dropropizine", "target_label": "rolipram", "cosine_similarity": 0.3864690959453583 } }, { "source": "CID:2064", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "AG-957-NSC-632839 similarity", "source_label": "AG-957", "target_label": "NSC-632839", "cosine_similarity": 0.6546564698219299 } }, { "source": "CID:446313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20054848", "properties": { "id": "SR-12813-bietaserpine similarity", "source_label": "SR-12813", "target_label": "bietaserpine", "cosine_similarity": 0.2109937518835067 } }, { "source": "CID:174174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "atropine-dipyrocetyl similarity", "source_label": "atropine", "target_label": "dipyrocetyl", "cosine_similarity": 0.314437985420227 } }, { "source": "CID:25199517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125085", "properties": { "id": "WAY-262611-p-aminophenethylspiperone similarity", "source_label": "WAY-262611", "target_label": "p-aminophenethylspiperone", "cosine_similarity": 0.421858936548233 } }, { "source": "CID:107751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5042", "properties": { "id": "racecadotril-rebamipide similarity", "source_label": "racecadotril", "target_label": "rebamipide", "cosine_similarity": 0.4102449119091034 } }, { "source": "CID:44490857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2814135", "properties": { "id": "SA-103123-CS-2092524 similarity", "source_label": "SA-103123", "target_label": "CS-2092524", "cosine_similarity": 0.3262261152267456 } }, { "source": "CID:5328748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "AG-370-temozolomide similarity", "source_label": "AG-370", "target_label": "temozolomide", "cosine_similarity": 0.316707581281662 } }, { "source": "CID:6918030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "GR-32191-flutamide similarity", "source_label": "GR-32191", "target_label": "flutamide", "cosine_similarity": 0.2867026031017303 } }, { "source": "CID:398148", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57519544", "properties": { "id": "NU-6027-wnt-c59 similarity", "source_label": "NU-6027", "target_label": "wnt-c59", "cosine_similarity": 0.3682564496994018 } }, { "source": "CID:2541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439285", "properties": { "id": "candesartan-choline-alfoscerate similarity", "source_label": "candesartan", "target_label": "choline-alfoscerate", "cosine_similarity": 0.3122448921203613 } }, { "source": "CID:3946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "lobenzarit-saxagliptin similarity", "source_label": "lobenzarit", "target_label": "saxagliptin", "cosine_similarity": 0.3360506296157837 } }, { "source": "CID:3792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "itopride-actarit similarity", "source_label": "itopride", "target_label": "actarit", "cosine_similarity": 0.4010840654373169 } }, { "source": "CID:54657694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668627", "properties": { "id": "SA-1460192-SA-1922659 similarity", "source_label": "SA-1460192", "target_label": "SA-1922659", "cosine_similarity": 0.341643750667572 } }, { "source": "CID:24747194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "PSH-028-PSH-010 similarity", "source_label": "PSH-028", "target_label": "PSH-010", "cosine_similarity": 0.4637899100780487 } }, { "source": "CID:107780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "GR-127935-RS-17053 similarity", "source_label": "GR-127935", "target_label": "RS-17053", "cosine_similarity": 0.7850136160850525 } }, { "source": "CID:11296282", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747776", "properties": { "id": "DG-041-CHEMBL-399379 similarity", "source_label": "DG-041", "target_label": "CHEMBL-399379", "cosine_similarity": 0.5672833323478699 } }, { "source": "CID:5288382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9549213", "properties": { "id": "geldanamycin-PU-H71 similarity", "source_label": "geldanamycin", "target_label": "PU-H71", "cosine_similarity": 0.8058242201805115 } }, { "source": "CID:54666570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "SA-1921456-BIBU-1361 similarity", "source_label": "SA-1921456", "target_label": "BIBU-1361", "cosine_similarity": 0.6457797884941101 } }, { "source": "CID:22094944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "dinorcitalopram-oxalate-JAS07-006 similarity", "source_label": "dinorcitalopram-oxalate", "target_label": "JAS07-006", "cosine_similarity": 0.2855718433856964 } }, { "source": "CID:68827", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "artemisinin-gossypol similarity", "source_label": "artemisinin", "target_label": "gossypol", "cosine_similarity": 0.2220773845911026 } }, { "source": "CID:73707595", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25195294", "properties": { "id": "avicin-d-LDN-193189 similarity", "source_label": "avicin-d", "target_label": "LDN-193189", "cosine_similarity": 0.4470560550689697 } }, { "source": "CID:9912743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "SB-683698-actarit similarity", "source_label": "SB-683698", "target_label": "actarit", "cosine_similarity": 0.5437672138214111 } }, { "source": "CID:107950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "CL-218872-cholic-acid similarity", "source_label": "CL-218872", "target_label": "cholic-acid", "cosine_similarity": 0.3890092372894287 } }, { "source": "CID:11609955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "resminostat-vorinostat similarity", "source_label": "resminostat", "target_label": "vorinostat", "cosine_similarity": 0.7282366156578064 } }, { "source": "CID:11213558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "fostamatinib-ibrutinib similarity", "source_label": "fostamatinib", "target_label": "ibrutinib", "cosine_similarity": 0.5115954279899597 } }, { "source": "CID:54654430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "SA-1463810-KIN001-055 similarity", "source_label": "SA-1463810", "target_label": "KIN001-055", "cosine_similarity": 0.2333879619836807 } }, { "source": "CID:441290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44564", "properties": { "id": "rocuronium-lodoxamide similarity", "source_label": "rocuronium", "target_label": "lodoxamide", "cosine_similarity": 0.4360708594322204 } }, { "source": "CID:44490224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-101841-SA-1457188 similarity", "source_label": "SA-101841", "target_label": "SA-1457188", "cosine_similarity": 0.3015697002410888 } }, { "source": "CID:9892554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "EMD-84-zebularine similarity", "source_label": "EMD-84", "target_label": "zebularine", "cosine_similarity": 0.3105296194553375 } }, { "source": "CID:9330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "benactyzine-amikacin similarity", "source_label": "benactyzine", "target_label": "amikacin", "cosine_similarity": 0.3796169459819793 } }, { "source": "CID:5227", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44199317", "properties": { "id": "SKF-91488-AZD-2461 similarity", "source_label": "SKF-91488", "target_label": "AZD-2461", "cosine_similarity": 0.2634872794151306 } }, { "source": "CID:4178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "mexiletine-gossypin similarity", "source_label": "mexiletine", "target_label": "gossypin", "cosine_similarity": 0.2641510963439941 } }, { "source": "CID:26757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4037", "properties": { "id": "selegiline-meclofenamic-acid similarity", "source_label": "selegiline", "target_label": "meclofenamic-acid", "cosine_similarity": 0.4011671841144562 } }, { "source": "CID:11552757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "LY-2365109-fostamatinib similarity", "source_label": "LY-2365109", "target_label": "fostamatinib", "cosine_similarity": 0.403492271900177 } }, { "source": "CID:6710752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "iriflophenone-tetrahydrouridine similarity", "source_label": "iriflophenone", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3898743093013763 } }, { "source": "CID:197835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "hydrastine-rilmenidine similarity", "source_label": "hydrastine", "target_label": "rilmenidine", "cosine_similarity": 0.2685823738574981 } }, { "source": "CID:195165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "SR-95639A-BMS-191011 similarity", "source_label": "SR-95639A", "target_label": "BMS-191011", "cosine_similarity": 0.2649601697921753 } }, { "source": "CID:6575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4160", "properties": { "id": "trichloroethylene-methyl-testosterone similarity", "source_label": "trichloroethylene", "target_label": "methyl-testosterone", "cosine_similarity": 0.2892620265483856 } }, { "source": "CID:3038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "diclofenamide-7-nitroindazole similarity", "source_label": "diclofenamide", "target_label": "7-nitroindazole", "cosine_similarity": 0.3878019154071808 } }, { "source": "CID:3454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2719", "properties": { "id": "ganciclovir-chloroquine similarity", "source_label": "ganciclovir", "target_label": "chloroquine", "cosine_similarity": 0.2718312740325928 } }, { "source": "CID:2955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22049997", "properties": { "id": "dapsone-PH-797804 similarity", "source_label": "dapsone", "target_label": "PH-797804", "cosine_similarity": 0.3156961798667907 } }, { "source": "CID:5280363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3108", "properties": { "id": "dinoprost-dipyridamole similarity", "source_label": "dinoprost", "target_label": "dipyridamole", "cosine_similarity": 0.4665210247039795 } }, { "source": "CID:244898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "lumicolchicine-DL-TBOA similarity", "source_label": "lumicolchicine", "target_label": "DL-TBOA", "cosine_similarity": 0.2277890890836715 } }, { "source": "CID:73707542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BG-1024-BG-1032 similarity", "source_label": "BG-1024", "target_label": "BG-1032", "cosine_similarity": 0.6142739653587341 } }, { "source": "CID:44473132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "KU-C103676-syringic-acid similarity", "source_label": "KU-C103676", "target_label": "syringic-acid", "cosine_similarity": 0.2567302584648132 } }, { "source": "CID:108029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44489854", "properties": { "id": "RU-24969-SA-423131 similarity", "source_label": "RU-24969", "target_label": "SA-423131", "cosine_similarity": 0.3892801105976105 } }, { "source": "CID:5311217", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707414", "properties": { "id": "lacidipine-nelfinavir similarity", "source_label": "lacidipine", "target_label": "nelfinavir", "cosine_similarity": 0.3718360364437103 } }, { "source": "CID:5870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "estrone-lorazepam similarity", "source_label": "estrone", "target_label": "lorazepam", "cosine_similarity": 0.4426423907279968 } }, { "source": "CID:198693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "CI-966-alaproclate similarity", "source_label": "CI-966", "target_label": "alaproclate", "cosine_similarity": 0.44029700756073 } }, { "source": "CID:4308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "NPC-15199-GW-9508 similarity", "source_label": "NPC-15199", "target_label": "GW-9508", "cosine_similarity": 0.3069142997264862 } }, { "source": "CID:42642645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25102847", "properties": { "id": "foretinib-cabozantinib similarity", "source_label": "foretinib", "target_label": "cabozantinib", "cosine_similarity": 0.4209901392459869 } }, { "source": "CID:235382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "SIB-1893-idarubicin similarity", "source_label": "SIB-1893", "target_label": "idarubicin", "cosine_similarity": 0.5714563727378845 } }, { "source": "CID:639665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288209", "properties": { "id": "xanthohumol-fenretinide similarity", "source_label": "xanthohumol", "target_label": "fenretinide", "cosine_similarity": 0.4814009666442871 } }, { "source": "CID:3326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "famprofazone-GDC-0199 similarity", "source_label": "famprofazone", "target_label": "GDC-0199", "cosine_similarity": 0.2601738572120666 } }, { "source": "CID:1775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "phenytoin-apocynin similarity", "source_label": "phenytoin", "target_label": "apocynin", "cosine_similarity": 0.4023837447166443 } }, { "source": "CID:2123", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:149096", "properties": { "id": "altretamine-levofloxacin similarity", "source_label": "altretamine", "target_label": "levofloxacin", "cosine_similarity": 0.3170213103294372 } }, { "source": "CID:15983966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "GSK-461364-HMN-214 similarity", "source_label": "GSK-461364", "target_label": "HMN-214", "cosine_similarity": 0.7032798528671265 } }, { "source": "CID:2724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "chlorphensin-rolipram similarity", "source_label": "chlorphensin", "target_label": "rolipram", "cosine_similarity": 0.2681766748428345 } }, { "source": "CID:4784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135787369", "properties": { "id": "PMSF-BG-1020 similarity", "source_label": "PMSF", "target_label": "BG-1020", "cosine_similarity": 0.2569634020328522 } }, { "source": "CID:68186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "spiramide-CGP-71683 similarity", "source_label": "spiramide", "target_label": "CGP-71683", "cosine_similarity": 0.4219940602779388 } }, { "source": "CID:44603531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "grazoprevir-travoprost similarity", "source_label": "grazoprevir", "target_label": "travoprost", "cosine_similarity": 0.5987271070480347 } }, { "source": "CID:104865", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "bosentan-entecavir similarity", "source_label": "bosentan", "target_label": "entecavir", "cosine_similarity": 0.3817359507083893 } }, { "source": "CID:44494424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616686", "properties": { "id": "SA-103021-SA-441487 similarity", "source_label": "SA-103021", "target_label": "SA-441487", "cosine_similarity": 0.3315665423870086 } }, { "source": "CID:44504286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-102042-SA-96805 similarity", "source_label": "SA-102042", "target_label": "SA-96805", "cosine_similarity": 0.3433201014995575 } }, { "source": "CID:2153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "theophylline-lacosamide similarity", "source_label": "theophylline", "target_label": "lacosamide", "cosine_similarity": 0.3170391321182251 } }, { "source": "CID:2265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54385", "properties": { "id": "azathioprine-levocabastine similarity", "source_label": "azathioprine", "target_label": "levocabastine", "cosine_similarity": 0.3945521116256714 } }, { "source": "CID:9867642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11597537", "properties": { "id": "laropiprant-CC-930 similarity", "source_label": "laropiprant", "target_label": "CC-930", "cosine_similarity": 0.3597790002822876 } }, { "source": "CID:2819095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755405", "properties": { "id": "KM-00799-ST-056792 similarity", "source_label": "KM-00799", "target_label": "ST-056792", "cosine_similarity": 0.3352111876010895 } }, { "source": "CID:3002120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "sulbutiamine-cisapride similarity", "source_label": "sulbutiamine", "target_label": "cisapride", "cosine_similarity": 0.4229471385478973 } }, { "source": "CID:3549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265271", "properties": { "id": "HA-14-1-LY-2886721 similarity", "source_label": "HA-14-1", "target_label": "LY-2886721", "cosine_similarity": 0.2321372181177139 } }, { "source": "CID:107992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "MK-212-dexloxiglumide similarity", "source_label": "MK-212", "target_label": "dexloxiglumide", "cosine_similarity": 0.620730459690094 } }, { "source": "CID:22049997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3343", "properties": { "id": "PH-797804-fenoterol similarity", "source_label": "PH-797804", "target_label": "fenoterol", "cosine_similarity": 0.3455759882926941 } }, { "source": "CID:5280489", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "beta-carotene-sulforaphane similarity", "source_label": "beta-carotene", "target_label": "sulforaphane", "cosine_similarity": 0.248246818780899 } }, { "source": "CID:3932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56949517", "properties": { "id": "linopirdine-GSK-2636771 similarity", "source_label": "linopirdine", "target_label": "GSK-2636771", "cosine_similarity": 0.4248614013195038 } }, { "source": "CID:6575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "trichloroethylene-carbon-tetrachloride similarity", "source_label": "trichloroethylene", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.3252140581607818 } }, { "source": "CID:9913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1126109", "properties": { "id": "xanthinol-JX-401 similarity", "source_label": "xanthinol", "target_label": "JX-401", "cosine_similarity": 0.2212669551372528 } }, { "source": "CID:5712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "YC-1-K784-3131 similarity", "source_label": "YC-1", "target_label": "K784-3131", "cosine_similarity": 0.367685467004776 } }, { "source": "CID:5908088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "oxindole-I-tyrphostin-A9 similarity", "source_label": "oxindole-I", "target_label": "tyrphostin-A9", "cosine_similarity": 0.2878668010234833 } }, { "source": "CID:135398738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "dacarbazine-yohimbine similarity", "source_label": "dacarbazine", "target_label": "yohimbine", "cosine_similarity": 0.4678970277309418 } }, { "source": "CID:2966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:56052", "properties": { "id": "debrisoquin-ractopamine similarity", "source_label": "debrisoquin", "target_label": "ractopamine", "cosine_similarity": 0.1464170962572097 } }, { "source": "CID:6857791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "sappanone-a-SA-792709 similarity", "source_label": "sappanone-a", "target_label": "SA-792709", "cosine_similarity": 0.5134032368659973 } }, { "source": "CID:5577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4418", "properties": { "id": "trimethobenzamide-naftopidil similarity", "source_label": "trimethobenzamide", "target_label": "naftopidil", "cosine_similarity": 0.2460296303033828 } }, { "source": "CID:4158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148198", "properties": { "id": "methylphenidate-GMX-1778 similarity", "source_label": "methylphenidate", "target_label": "GMX-1778", "cosine_similarity": 0.4831418395042419 } }, { "source": "CID:412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "nornicotine-MK-212 similarity", "source_label": "nornicotine", "target_label": "MK-212", "cosine_similarity": 0.3957066237926483 } }, { "source": "CID:73265276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11707110", "properties": { "id": "WZ-7043-trametinib similarity", "source_label": "WZ-7043", "target_label": "trametinib", "cosine_similarity": 0.3480916023254394 } }, { "source": "CID:45375809", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3826", "properties": { "id": "PSI-7976-ketorolac similarity", "source_label": "PSI-7976", "target_label": "ketorolac", "cosine_similarity": 0.3276560604572296 } }, { "source": "CID:15547703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "tosedostat-Ro-28-1675 similarity", "source_label": "tosedostat", "target_label": "Ro-28-1675", "cosine_similarity": 0.4601433873176574 } }, { "source": "CID:4377504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4614", "properties": { "id": "CFM-2-oxaprozin similarity", "source_label": "CFM-2", "target_label": "oxaprozin", "cosine_similarity": 0.3115768730640411 } }, { "source": "CID:13025387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680411", "properties": { "id": "ticarcillin-AT1-SHH-29 similarity", "source_label": "ticarcillin", "target_label": "AT1-SHH-29", "cosine_similarity": 0.2215837687253952 } }, { "source": "CID:5280445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "luteolin-sofalcone similarity", "source_label": "luteolin", "target_label": "sofalcone", "cosine_similarity": 0.2912822961807251 } }, { "source": "CID:11552706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:156422", "properties": { "id": "losmapimod-doramapimod similarity", "source_label": "losmapimod", "target_label": "doramapimod", "cosine_similarity": 0.4240379631519317 } }, { "source": "CID:57946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "tenidap-diazoxide similarity", "source_label": "tenidap", "target_label": "diazoxide", "cosine_similarity": 0.4195437729358673 } }, { "source": "CID:481747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:906542", "properties": { "id": "ryuvidine-STK-249718 similarity", "source_label": "ryuvidine", "target_label": "STK-249718", "cosine_similarity": 0.6782341599464417 } }, { "source": "CID:45259133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:150311", "properties": { "id": "VU-0415113-1-ezetimibe similarity", "source_label": "VU-0415113-1", "target_label": "ezetimibe", "cosine_similarity": 0.2293781191110611 } }, { "source": "CID:3292447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "SB-216641-FIT similarity", "source_label": "SB-216641", "target_label": "FIT", "cosine_similarity": 0.5577954649925232 } }, { "source": "CID:45934210", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "solifenacin-proxyphylline similarity", "source_label": "solifenacin", "target_label": "proxyphylline", "cosine_similarity": 0.2436911463737487 } }, { "source": "CID:1258678", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "ST-014075-cortisone-acetate similarity", "source_label": "ST-014075", "target_label": "cortisone-acetate", "cosine_similarity": 0.3067601025104522 } }, { "source": "CID:4472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707528", "properties": { "id": "nialamide-etodolac similarity", "source_label": "nialamide", "target_label": "etodolac", "cosine_similarity": 0.2568176090717315 } }, { "source": "CID:54668813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190226", "properties": { "id": "SA-1921816-SA-1925996 similarity", "source_label": "SA-1921816", "target_label": "SA-1925996", "cosine_similarity": 0.3563419878482818 } }, { "source": "CID:4992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5071", "properties": { "id": "mepyramine-rimantadine similarity", "source_label": "mepyramine", "target_label": "rimantadine", "cosine_similarity": 0.3727794289588928 } }, { "source": "CID:5329102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "sunitinib-RAF-265 similarity", "source_label": "sunitinib", "target_label": "RAF-265", "cosine_similarity": 0.5254867076873779 } }, { "source": "CID:5941539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72385", "properties": { "id": "SU-1498-nonoxynol-9 similarity", "source_label": "SU-1498", "target_label": "nonoxynol-9", "cosine_similarity": 0.3496960401535034 } }, { "source": "CID:10474339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "BMS-191011-fumonisin-b1 similarity", "source_label": "BMS-191011", "target_label": "fumonisin-b1", "cosine_similarity": 0.5864623188972473 } }, { "source": "CID:3100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747195", "properties": { "id": "diphenhydramine-PSH-026 similarity", "source_label": "diphenhydramine", "target_label": "PSH-026", "cosine_similarity": 0.1968397200107574 } }, { "source": "CID:15984937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16656685", "properties": { "id": "camicinal-danegaptide similarity", "source_label": "camicinal", "target_label": "danegaptide", "cosine_similarity": 0.5608699321746826 } }, { "source": "CID:3955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5452", "properties": { "id": "loperamide-thioridazine similarity", "source_label": "loperamide", "target_label": "thioridazine", "cosine_similarity": 0.5289880037307739 } }, { "source": "CID:54667404", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668627", "properties": { "id": "SA-1919877-SA-1922659 similarity", "source_label": "SA-1919877", "target_label": "SA-1922659", "cosine_similarity": 0.4495798945426941 } }, { "source": "CID:11210478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "WP-1066-withaferin-a similarity", "source_label": "WP-1066", "target_label": "withaferin-a", "cosine_similarity": 0.3335800170898437 } }, { "source": "CID:5585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1048267", "properties": { "id": "trioxsalen-ML-161 similarity", "source_label": "trioxsalen", "target_label": "ML-161", "cosine_similarity": 0.2921551764011383 } }, { "source": "CID:92766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:131414", "properties": { "id": "corynanthine-NCS-382 similarity", "source_label": "corynanthine", "target_label": "NCS-382", "cosine_similarity": 0.2891115844249725 } }, { "source": "CID:5901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57030", "properties": { "id": "azauridine-brequinar similarity", "source_label": "azauridine", "target_label": "brequinar", "cosine_similarity": 0.2437794655561447 } }, { "source": "CID:44483268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "hydroquinine-dipyrocetyl similarity", "source_label": "hydroquinine", "target_label": "dipyrocetyl", "cosine_similarity": 0.2314115166664123 } }, { "source": "CID:40461270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "lenalidomide-zebularine similarity", "source_label": "lenalidomide", "target_label": "zebularine", "cosine_similarity": 0.4732699394226074 } }, { "source": "CID:5332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:95801", "properties": { "id": "sulfamonomethoxine-BTS similarity", "source_label": "sulfamonomethoxine", "target_label": "BTS", "cosine_similarity": 0.305478572845459 } }, { "source": "CID:25073775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "VS-4718-Ro-4987655 similarity", "source_label": "VS-4718", "target_label": "Ro-4987655", "cosine_similarity": 0.531120777130127 } }, { "source": "CID:2966", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11539025", "properties": { "id": "debrisoquin-LY-2228820 similarity", "source_label": "debrisoquin", "target_label": "LY-2228820", "cosine_similarity": 0.1411288231611251 } }, { "source": "CID:9912992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104865", "properties": { "id": "SPP-301-bosentan similarity", "source_label": "SPP-301", "target_label": "bosentan", "cosine_similarity": 0.2392156571149826 } }, { "source": "CID:10186367", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "CT-7758-nemonapride similarity", "source_label": "CT-7758", "target_label": "nemonapride", "cosine_similarity": 0.3972842991352081 } }, { "source": "CID:2081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "alaproclate-bemegride similarity", "source_label": "alaproclate", "target_label": "bemegride", "cosine_similarity": 0.5098108649253845 } }, { "source": "CID:9820008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3902", "properties": { "id": "SC-12267-letrozole similarity", "source_label": "SC-12267", "target_label": "letrozole", "cosine_similarity": 0.2693874537944793 } }, { "source": "CID:1549008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16678941", "properties": { "id": "terbinafine-VX-809 similarity", "source_label": "terbinafine", "target_label": "VX-809", "cosine_similarity": 0.4000411629676819 } }, { "source": "CID:23789069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "nitrarine-PSH-003 similarity", "source_label": "nitrarine", "target_label": "PSH-003", "cosine_similarity": 0.3003236055374145 } }, { "source": "CID:160254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "cryptotanshinone-PF-04620110 similarity", "source_label": "cryptotanshinone", "target_label": "PF-04620110", "cosine_similarity": 0.2651963233947754 } }, { "source": "CID:11442891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227462", "properties": { "id": "danusertib-PF-03758309 similarity", "source_label": "danusertib", "target_label": "PF-03758309", "cosine_similarity": 0.4881954193115234 } }, { "source": "CID:73707437", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5417", "properties": { "id": "YL-53-tetrahydropalmatine similarity", "source_label": "YL-53", "target_label": "tetrahydropalmatine", "cosine_similarity": 0.2689474523067474 } }, { "source": "CID:54657739", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657737", "properties": { "id": "SA-1458189-SA-1457769 similarity", "source_label": "SA-1458189", "target_label": "SA-1457769", "cosine_similarity": 0.2460021823644638 } }, { "source": "CID:45489449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "VU-0415556-1-NCH-51 similarity", "source_label": "VU-0415556-1", "target_label": "NCH-51", "cosine_similarity": 0.5240691900253296 } }, { "source": "CID:53387035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129228", "properties": { "id": "LCQ-908-rufinamide similarity", "source_label": "LCQ-908", "target_label": "rufinamide", "cosine_similarity": 0.3265258371829986 } }, { "source": "CID:3820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59588070", "properties": { "id": "kenpaullone-JNK-9L similarity", "source_label": "kenpaullone", "target_label": "JNK-9L", "cosine_similarity": 0.6552408337593079 } }, { "source": "CID:60961", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "adenosine-oxatomide similarity", "source_label": "adenosine", "target_label": "oxatomide", "cosine_similarity": 0.4848198592662811 } }, { "source": "CID:197033", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115210", "properties": { "id": "latrepirdine-ZK-93426 similarity", "source_label": "latrepirdine", "target_label": "ZK-93426", "cosine_similarity": 0.1922404915094375 } }, { "source": "CID:6328608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "abacavir-GDC-0199 similarity", "source_label": "abacavir", "target_label": "GDC-0199", "cosine_similarity": 0.2997072339057922 } }, { "source": "CID:135882970", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "BG-1019-MW-MITF28 similarity", "source_label": "BG-1019", "target_label": "MW-MITF28", "cosine_similarity": 0.2496217936277389 } }, { "source": "CID:5403", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "terbutaline-bucladesine similarity", "source_label": "terbutaline", "target_label": "bucladesine", "cosine_similarity": 0.2952917814254761 } }, { "source": "CID:54658318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-1457188-SA-1455938 similarity", "source_label": "SA-1457188", "target_label": "SA-1455938", "cosine_similarity": 0.4663670063018799 } }, { "source": "CID:3478439", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9956637", "properties": { "id": "fulvestrant-PD-198306 similarity", "source_label": "fulvestrant", "target_label": "PD-198306", "cosine_similarity": 0.2983227074146271 } }, { "source": "CID:2790", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "clobenpropit-sibutramine similarity", "source_label": "clobenpropit", "target_label": "sibutramine", "cosine_similarity": 0.2951766550540924 } }, { "source": "CID:5311304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "nalbuphine-PTB1 similarity", "source_label": "nalbuphine", "target_label": "PTB1", "cosine_similarity": 0.3393280208110809 } }, { "source": "CID:44487898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44493156", "properties": { "id": "SA-88642-SA-83851 similarity", "source_label": "SA-88642", "target_label": "SA-83851", "cosine_similarity": 0.2214637547731399 } }, { "source": "CID:60187003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54685921", "properties": { "id": "SA-1937536-hispidin similarity", "source_label": "SA-1937536", "target_label": "hispidin", "cosine_similarity": 0.3062857389450073 } }, { "source": "CID:44456237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707429", "properties": { "id": "SID-26681509-oligomycin-a similarity", "source_label": "SID-26681509", "target_label": "oligomycin-a", "cosine_similarity": 0.4070639908313751 } }, { "source": "CID:54669344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657739", "properties": { "id": "SA-1919667-SA-1458189 similarity", "source_label": "SA-1919667", "target_label": "SA-1458189", "cosine_similarity": 0.2786954343318939 } }, { "source": "CID:2318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4679", "properties": { "id": "benfluorex-pantoprazole similarity", "source_label": "benfluorex", "target_label": "pantoprazole", "cosine_similarity": 0.3693854808807373 } }, { "source": "CID:131536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10040286", "properties": { "id": "fosamprenavir-TC-1 similarity", "source_label": "fosamprenavir", "target_label": "TC-1", "cosine_similarity": 0.2435766756534576 } }, { "source": "CID:13505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4112", "properties": { "id": "diphenoxylate-methotrexate similarity", "source_label": "diphenoxylate", "target_label": "methotrexate", "cosine_similarity": 0.2006086260080337 } }, { "source": "CID:3682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "ICI-118551-amikacin similarity", "source_label": "ICI-118551", "target_label": "amikacin", "cosine_similarity": 0.1997149288654327 } }, { "source": "CID:1776583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "JAS07-006-amikacin similarity", "source_label": "JAS07-006", "target_label": "amikacin", "cosine_similarity": 0.6151102185249329 } }, { "source": "CID:107896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "gabazine-BMS-641988 similarity", "source_label": "gabazine", "target_label": "BMS-641988", "cosine_similarity": 0.3324111700057983 } }, { "source": "CID:2752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9904854", "properties": { "id": "cilnidipine-R-112 similarity", "source_label": "cilnidipine", "target_label": "R-112", "cosine_similarity": 0.245143249630928 } }, { "source": "CID:77918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "1-benzylimidazole-parecoxib similarity", "source_label": "1-benzylimidazole", "target_label": "parecoxib", "cosine_similarity": 0.2862042188644409 } }, { "source": "CID:73707348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "anthothecol-K784-3188 similarity", "source_label": "anthothecol", "target_label": "K784-3188", "cosine_similarity": 0.5753811597824097 } }, { "source": "CID:213023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "dabigatran-etexilate-fluvoxamine similarity", "source_label": "dabigatran-etexilate", "target_label": "fluvoxamine", "cosine_similarity": 0.3866902589797973 } }, { "source": "CID:4030", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "mebendazole-D-64131 similarity", "source_label": "mebendazole", "target_label": "D-64131", "cosine_similarity": 0.7327314019203186 } }, { "source": "CID:5281718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "polydatin-GW-501516 similarity", "source_label": "polydatin", "target_label": "GW-501516", "cosine_similarity": 0.3897514641284942 } }, { "source": "CID:67505836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6444692", "properties": { "id": "ledipasvir-mubritinib similarity", "source_label": "ledipasvir", "target_label": "mubritinib", "cosine_similarity": 0.2319804728031158 } }, { "source": "CID:44488751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "SA-422830-molsidomine similarity", "source_label": "SA-422830", "target_label": "molsidomine", "cosine_similarity": 0.31358203291893 } }, { "source": "CID:44484501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502756", "properties": { "id": "SA-244466-SA-102695 similarity", "source_label": "SA-244466", "target_label": "SA-102695", "cosine_similarity": 0.2291084975004196 } }, { "source": "CID:4515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4688", "properties": { "id": "NNC-711-pargyline similarity", "source_label": "NNC-711", "target_label": "pargyline", "cosine_similarity": 0.3596044778823852 } }, { "source": "CID:66558664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11998575", "properties": { "id": "E-7438-palomid-529 similarity", "source_label": "E-7438", "target_label": "palomid-529", "cosine_similarity": 0.3906803131103515 } }, { "source": "CID:481747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "ryuvidine-withaferin-a similarity", "source_label": "ryuvidine", "target_label": "withaferin-a", "cosine_similarity": 0.5765426754951477 } }, { "source": "CID:3081361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "vandetanib-CAY-10594 similarity", "source_label": "vandetanib", "target_label": "CAY-10594", "cosine_similarity": 0.6125813126564026 } }, { "source": "CID:16759169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "ACDPP-Gly-Gly-PALO similarity", "source_label": "ACDPP", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3573662936687469 } }, { "source": "CID:1329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60961", "properties": { "id": "DPCPX-adenosine similarity", "source_label": "DPCPX", "target_label": "adenosine", "cosine_similarity": 0.5735751986503601 } }, { "source": "CID:6604887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124846", "properties": { "id": "Ro-25-6981-HTMT similarity", "source_label": "Ro-25-6981", "target_label": "HTMT", "cosine_similarity": 0.2228417694568634 } }, { "source": "CID:73265271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "LY-2886721-granisetron similarity", "source_label": "LY-2886721", "target_label": "granisetron", "cosine_similarity": 0.5419453978538513 } }, { "source": "CID:47641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "naftifine-valsartan similarity", "source_label": "naftifine", "target_label": "valsartan", "cosine_similarity": 0.4143009483814239 } }, { "source": "CID:2796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73214", "properties": { "id": "clofibrate-eperezolid similarity", "source_label": "clofibrate", "target_label": "eperezolid", "cosine_similarity": 0.3487239181995392 } }, { "source": "CID:77999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707430", "properties": { "id": "rosiglitazone-gestrinone similarity", "source_label": "rosiglitazone", "target_label": "gestrinone", "cosine_similarity": 0.4410503506660461 } }, { "source": "CID:38258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6000", "properties": { "id": "imidazolidinyl-urea-tubocurarine similarity", "source_label": "imidazolidinyl-urea", "target_label": "tubocurarine", "cosine_similarity": 0.2169313281774521 } }, { "source": "CID:9935249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9911830", "properties": { "id": "tipifarnib-tivozanib similarity", "source_label": "tipifarnib", "target_label": "tivozanib", "cosine_similarity": 0.4012709259986877 } }, { "source": "CID:23947034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:166558", "properties": { "id": "I-070754-avasimibe similarity", "source_label": "I-070754", "target_label": "avasimibe", "cosine_similarity": 0.2259406596422195 } }, { "source": "CID:208898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "dronedarone-dapivirine similarity", "source_label": "dronedarone", "target_label": "dapivirine", "cosine_similarity": 0.3498533964157104 } }, { "source": "CID:5340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "sulfathiazole-dienestrol similarity", "source_label": "sulfathiazole", "target_label": "dienestrol", "cosine_similarity": 0.3285940885543823 } }, { "source": "CID:44828476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "KU-C104545N-niguldipine similarity", "source_label": "KU-C104545N", "target_label": "niguldipine", "cosine_similarity": 0.2071708589792251 } }, { "source": "CID:9810929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23635314", "properties": { "id": "dolastatin-10-KX-2391 similarity", "source_label": "dolastatin-10", "target_label": "KX-2391", "cosine_similarity": 0.8395317792892456 } }, { "source": "CID:18496254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1918543", "properties": { "id": "lactotensin-MW-STK33-2B similarity", "source_label": "lactotensin", "target_label": "MW-STK33-2B", "cosine_similarity": 0.2256306707859039 } }, { "source": "CID:151819", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "BL-050-PT-630 similarity", "source_label": "BL-050", "target_label": "PT-630", "cosine_similarity": 0.2931939661502838 } }, { "source": "CID:15387", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "melperone-bemegride similarity", "source_label": "melperone", "target_label": "bemegride", "cosine_similarity": 0.2557567059993744 } }, { "source": "CID:2200", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "antazoline-ST-022313 similarity", "source_label": "antazoline", "target_label": "ST-022313", "cosine_similarity": 0.1975778937339782 } }, { "source": "CID:409805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "NSC-23766-Gly-Gly-PALO similarity", "source_label": "NSC-23766", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.5374864339828491 } }, { "source": "CID:3949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038522", "properties": { "id": "lomerizine-tandutinib similarity", "source_label": "lomerizine", "target_label": "tandutinib", "cosine_similarity": 0.5677085518836975 } }, { "source": "CID:9838712", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "reparixin-sacubitril similarity", "source_label": "reparixin", "target_label": "sacubitril", "cosine_similarity": 0.3180820941925049 } }, { "source": "CID:395754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "FTI-276-PT-630 similarity", "source_label": "FTI-276", "target_label": "PT-630", "cosine_similarity": 0.5886031985282898 } }, { "source": "CID:34312", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "oxcarbazepine-DAC-004 similarity", "source_label": "oxcarbazepine", "target_label": "DAC-004", "cosine_similarity": 0.3436246216297149 } }, { "source": "CID:9924495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4173", "properties": { "id": "perampanel-metronidazole similarity", "source_label": "perampanel", "target_label": "metronidazole", "cosine_similarity": 0.4305183887481689 } }, { "source": "CID:57345410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5754137", "properties": { "id": "EPZ-5676-BAM-7 similarity", "source_label": "EPZ-5676", "target_label": "BAM-7", "cosine_similarity": 0.3321559727191925 } }, { "source": "CID:44487898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-88642-SA-1458902 similarity", "source_label": "SA-88642", "target_label": "SA-1458902", "cosine_similarity": 0.2191747426986694 } }, { "source": "CID:7314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "maltobionic-acid-paraxanthine similarity", "source_label": "maltobionic-acid", "target_label": "paraxanthine", "cosine_similarity": 0.2424433529376983 } }, { "source": "CID:4753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4904", "properties": { "id": "phenacemide-pridinol similarity", "source_label": "phenacemide", "target_label": "pridinol", "cosine_similarity": 0.5082751512527466 } }, { "source": "CID:114829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123618", "properties": { "id": "MF-101-tecastemizole similarity", "source_label": "MF-101", "target_label": "tecastemizole", "cosine_similarity": 0.2493584603071212 } }, { "source": "CID:73707394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707393", "properties": { "id": "SA-1447005-GP-42 similarity", "source_label": "SA-1447005", "target_label": "GP-42", "cosine_similarity": 0.7866986989974976 } }, { "source": "CID:44505124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "SA-417716-methyl-fasudil similarity", "source_label": "SA-417716", "target_label": "methyl-fasudil", "cosine_similarity": 0.3423262536525726 } }, { "source": "CID:70680398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951172", "properties": { "id": "MW-SHH-97-EMF-sumo1-6 similarity", "source_label": "MW-SHH-97", "target_label": "EMF-sumo1-6", "cosine_similarity": 0.2821737825870514 } }, { "source": "CID:46213929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "LY-2784544-travoprost similarity", "source_label": "LY-2784544", "target_label": "travoprost", "cosine_similarity": 0.3776889443397522 } }, { "source": "CID:91896203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3646984", "properties": { "id": "ST-4070169-F-1061-0166 similarity", "source_label": "ST-4070169", "target_label": "F-1061-0166", "cosine_similarity": 0.2985827624797821 } }, { "source": "CID:300471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "elesclomol-manumycin-a similarity", "source_label": "elesclomol", "target_label": "manumycin-a", "cosine_similarity": 0.4769421815872192 } }, { "source": "CID:68870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3476986", "properties": { "id": "tianeptine-blebbistatin similarity", "source_label": "tianeptine", "target_label": "blebbistatin", "cosine_similarity": 0.4192995727062225 } }, { "source": "CID:5281718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "polydatin-iproniazid similarity", "source_label": "polydatin", "target_label": "iproniazid", "cosine_similarity": 0.3690156042575836 } }, { "source": "CID:3035842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6572379", "properties": { "id": "immepip-PSH-013 similarity", "source_label": "immepip", "target_label": "PSH-013", "cosine_similarity": 0.291715532541275 } }, { "source": "CID:10404245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5323714", "properties": { "id": "macelignan-furazolidone similarity", "source_label": "macelignan", "target_label": "furazolidone", "cosine_similarity": 0.4714978337287903 } }, { "source": "CID:4429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5870", "properties": { "id": "naltriben-estrone similarity", "source_label": "naltriben", "target_label": "estrone", "cosine_similarity": 0.2878908514976501 } }, { "source": "CID:3906894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:322968", "properties": { "id": "WAY-161503-PRIMA1 similarity", "source_label": "WAY-161503", "target_label": "PRIMA1", "cosine_similarity": 0.3081388473510742 } }, { "source": "CID:24747188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:728578", "properties": { "id": "JAS07-002-ST-022313 similarity", "source_label": "JAS07-002", "target_label": "ST-022313", "cosine_similarity": 0.2401779741048813 } }, { "source": "CID:1548942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49848070", "properties": { "id": "capsaicin-taladegib similarity", "source_label": "capsaicin", "target_label": "taladegib", "cosine_similarity": 0.3965135216712951 } }, { "source": "CID:6708684", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "scopoline-flumethasone-pivalate similarity", "source_label": "scopoline", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.3011159300804138 } }, { "source": "CID:16133851", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3657", "properties": { "id": "triptorelin-hydroxyurea similarity", "source_label": "triptorelin", "target_label": "hydroxyurea", "cosine_similarity": 0.2838050425052643 } }, { "source": "CID:3519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "guanfacine-NU-1025 similarity", "source_label": "guanfacine", "target_label": "NU-1025", "cosine_similarity": 0.284567266702652 } }, { "source": "CID:5212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "sildenafil-rolipram similarity", "source_label": "sildenafil", "target_label": "rolipram", "cosine_similarity": 0.466435045003891 } }, { "source": "CID:3455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121926", "properties": { "id": "vanoxerine-ZK-93423 similarity", "source_label": "vanoxerine", "target_label": "ZK-93423", "cosine_similarity": 0.3796290755271911 } }, { "source": "CID:244898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "lumicolchicine-fumonisin-b1 similarity", "source_label": "lumicolchicine", "target_label": "fumonisin-b1", "cosine_similarity": 0.2275006473064422 } }, { "source": "CID:4423427", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "ST-019366-TUL_XX087 similarity", "source_label": "ST-019366", "target_label": "TUL_XX087", "cosine_similarity": 0.1855735331773758 } }, { "source": "CID:3549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:969516", "properties": { "id": "HA-14-1-curcumin similarity", "source_label": "HA-14-1", "target_label": "curcumin", "cosine_similarity": 0.2746903598308563 } }, { "source": "CID:176167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "enzastaurin-iniparib similarity", "source_label": "enzastaurin", "target_label": "iniparib", "cosine_similarity": 0.5406185984611511 } }, { "source": "CID:44589607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "7b-cis-cerulenin similarity", "source_label": "7b-cis", "target_label": "cerulenin", "cosine_similarity": 0.8087358474731445 } }, { "source": "CID:5703601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:77918", "properties": { "id": "SEW-05685-1-benzylimidazole similarity", "source_label": "SEW-05685", "target_label": "1-benzylimidazole", "cosine_similarity": 0.2093813717365265 } }, { "source": "CID:10330240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "VUF-5681-PT-630 similarity", "source_label": "VUF-5681", "target_label": "PT-630", "cosine_similarity": 0.3326205313205719 } }, { "source": "CID:2375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "bicalutamide-apafant similarity", "source_label": "bicalutamide", "target_label": "apafant", "cosine_similarity": 0.559566855430603 } }, { "source": "CID:49836020", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5225086", "properties": { "id": "birinapant-ingenol similarity", "source_label": "birinapant", "target_label": "ingenol", "cosine_similarity": 0.396811306476593 } }, { "source": "CID:3906780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44907115", "properties": { "id": "NNC-63-0532-VU-0413238-1 similarity", "source_label": "NNC-63-0532", "target_label": "VU-0413238-1", "cosine_similarity": 0.2493480741977691 } }, { "source": "CID:10313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654435", "properties": { "id": "benzohydroxamic-acid-SA-1472702 similarity", "source_label": "benzohydroxamic-acid", "target_label": "SA-1472702", "cosine_similarity": 0.3503404855728149 } }, { "source": "CID:32334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707617", "properties": { "id": "beta-alanine-glutamyldopamine similarity", "source_label": "beta-alanine", "target_label": "glutamyldopamine", "cosine_similarity": 0.2169754952192306 } }, { "source": "CID:121930", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5265", "properties": { "id": "LY-165163-spiperone similarity", "source_label": "LY-165163", "target_label": "spiperone", "cosine_similarity": 0.2906880378723144 } }, { "source": "CID:68617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "sertraline-CAY-10594 similarity", "source_label": "sertraline", "target_label": "CAY-10594", "cosine_similarity": 0.8102301359176636 } }, { "source": "CID:72967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "isonicotinohydroxamic-acid-PT-630 similarity", "source_label": "isonicotinohydroxamic-acid", "target_label": "PT-630", "cosine_similarity": 0.3428328037261963 } }, { "source": "CID:6037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "folic-acid-phenformin similarity", "source_label": "folic-acid", "target_label": "phenformin", "cosine_similarity": 0.3932362198829651 } }, { "source": "CID:54614567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "SA-441181-SA-90024 similarity", "source_label": "SA-441181", "target_label": "SA-90024", "cosine_similarity": 0.4668201506137848 } }, { "source": "CID:6710776", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9797857", "properties": { "id": "nomilin-AR-C133057XX similarity", "source_label": "nomilin", "target_label": "AR-C133057XX", "cosine_similarity": 0.2700774371623993 } }, { "source": "CID:25154867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2155128", "properties": { "id": "PF-3845-IWP-2 similarity", "source_label": "PF-3845", "target_label": "IWP-2", "cosine_similarity": 0.3838328123092651 } }, { "source": "CID:149096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92722", "properties": { "id": "levofloxacin-argatroban similarity", "source_label": "levofloxacin", "target_label": "argatroban", "cosine_similarity": 0.3776115775108337 } }, { "source": "CID:9553856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "furaltadone-cefprozil similarity", "source_label": "furaltadone", "target_label": "cefprozil", "cosine_similarity": 0.2428598701953888 } }, { "source": "CID:24856313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "FU-JMBII127B-EMF-sumo1-39 similarity", "source_label": "FU-JMBII127B", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.5237057209014893 } }, { "source": "CID:6450546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "gavestinel-aminocaproic-acid similarity", "source_label": "gavestinel", "target_label": "aminocaproic-acid", "cosine_similarity": 0.1992371827363968 } }, { "source": "CID:44487652", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657710", "properties": { "id": "SA-85268-SA-1456508 similarity", "source_label": "SA-85268", "target_label": "SA-1456508", "cosine_similarity": 0.3338900804519653 } }, { "source": "CID:5472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "ticlopidine-diphenidol similarity", "source_label": "ticlopidine", "target_label": "diphenidol", "cosine_similarity": 0.3729863464832306 } }, { "source": "CID:49848070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4417", "properties": { "id": "taladegib-naftidrofuryl similarity", "source_label": "taladegib", "target_label": "naftidrofuryl", "cosine_similarity": 0.4156833589076996 } }, { "source": "CID:84008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "FIT-BIBU-1361 similarity", "source_label": "FIT", "target_label": "BIBU-1361", "cosine_similarity": 0.6141692399978638 } }, { "source": "CID:107867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2435", "properties": { "id": "otenzepad-brimonidine similarity", "source_label": "otenzepad", "target_label": "brimonidine", "cosine_similarity": 0.1832696050405502 } }, { "source": "CID:56208", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "sarafloxacin-SAR-245408 similarity", "source_label": "sarafloxacin", "target_label": "SAR-245408", "cosine_similarity": 0.2465375363826751 } }, { "source": "CID:5032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803433", "properties": { "id": "racephedrine-MK-0752 similarity", "source_label": "racephedrine", "target_label": "MK-0752", "cosine_similarity": 0.2917055189609527 } }, { "source": "CID:9829526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53389", "properties": { "id": "siramesine-rimcazole similarity", "source_label": "siramesine", "target_label": "rimcazole", "cosine_similarity": 0.3655537962913513 } }, { "source": "CID:16126782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119376", "properties": { "id": "HNHA-GR-113808 similarity", "source_label": "HNHA", "target_label": "GR-113808", "cosine_similarity": 0.2810172736644745 } }, { "source": "CID:4101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "methenamine-EX-527 similarity", "source_label": "methenamine", "target_label": "EX-527", "cosine_similarity": 0.2396612167358398 } }, { "source": "CID:160355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16747683", "properties": { "id": "roscovitine-AZD-5438 similarity", "source_label": "roscovitine", "target_label": "AZD-5438", "cosine_similarity": 0.6097787022590637 } }, { "source": "CID:216345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53358942", "properties": { "id": "nutlin-3-RG-7388 similarity", "source_label": "nutlin-3", "target_label": "RG-7388", "cosine_similarity": 0.5140794515609741 } }, { "source": "CID:54668959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667404", "properties": { "id": "SA-1919710-SA-1919877 similarity", "source_label": "SA-1919710", "target_label": "SA-1919877", "cosine_similarity": 0.2921109199523926 } }, { "source": "CID:44489338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657730", "properties": { "id": "SA-424828-SA-1458450 similarity", "source_label": "SA-424828", "target_label": "SA-1458450", "cosine_similarity": 0.2938180267810821 } }, { "source": "CID:6610337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6890", "properties": { "id": "dibutyrylcyclic-gmp-gramine similarity", "source_label": "dibutyrylcyclic-gmp", "target_label": "gramine", "cosine_similarity": 0.2550423145294189 } }, { "source": "CID:91617630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742353", "properties": { "id": "daprodustat-VU-0418946-1 similarity", "source_label": "daprodustat", "target_label": "VU-0418946-1", "cosine_similarity": 0.5277935266494751 } }, { "source": "CID:4037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "meclofenamic-acid-tetrahydrouridine similarity", "source_label": "meclofenamic-acid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.7822298407554626 } }, { "source": "CID:5287855", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68085", "properties": { "id": "AS-604850-dictamnine similarity", "source_label": "AS-604850", "target_label": "dictamnine", "cosine_similarity": 0.2261621505022049 } }, { "source": "CID:3428129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16004692", "properties": { "id": "ichthynone-macitentan similarity", "source_label": "ichthynone", "target_label": "macitentan", "cosine_similarity": 0.3199175000190735 } }, { "source": "CID:22565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "aminopentamide-ST-059620 similarity", "source_label": "aminopentamide", "target_label": "ST-059620", "cosine_similarity": 0.3030617535114288 } }, { "source": "CID:42642645", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10302451", "properties": { "id": "foretinib-saracatinib similarity", "source_label": "foretinib", "target_label": "saracatinib", "cosine_similarity": 0.458304762840271 } }, { "source": "CID:54657694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003565", "properties": { "id": "SA-1460192-wortmannin similarity", "source_label": "SA-1460192", "target_label": "wortmannin", "cosine_similarity": 0.3353685736656189 } }, { "source": "CID:44494424", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "SA-103021-CGS-21680 similarity", "source_label": "SA-103021", "target_label": "CGS-21680", "cosine_similarity": 0.2923832833766937 } }, { "source": "CID:54668617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494463", "properties": { "id": "SA-1919248-SA-242443 similarity", "source_label": "SA-1919248", "target_label": "SA-242443", "cosine_similarity": 0.4279991090297699 } }, { "source": "CID:4713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10377751", "properties": { "id": "PD-98059-AS-605240 similarity", "source_label": "PD-98059", "target_label": "AS-605240", "cosine_similarity": 0.4637076258659363 } }, { "source": "CID:24795070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "SGI-1776-amiodarone similarity", "source_label": "SGI-1776", "target_label": "amiodarone", "cosine_similarity": 0.4874384105205536 } }, { "source": "CID:6623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5614", "properties": { "id": "bisphenol-a-tyrphostin-A9 similarity", "source_label": "bisphenol-a", "target_label": "tyrphostin-A9", "cosine_similarity": 0.3918865025043487 } }, { "source": "CID:25429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "carbendazim-alda-1 similarity", "source_label": "carbendazim", "target_label": "alda-1", "cosine_similarity": 0.321760356426239 } }, { "source": "CID:761523", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "m-3M3FBS-zebularine similarity", "source_label": "m-3M3FBS", "target_label": "zebularine", "cosine_similarity": 0.3450642824172973 } }, { "source": "CID:4183496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "EMF-bca1-16-puromycin similarity", "source_label": "EMF-bca1-16", "target_label": "puromycin", "cosine_similarity": 0.8009271621704102 } }, { "source": "CID:23919058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "tyrphostin-B44-DAC-012 similarity", "source_label": "tyrphostin-B44", "target_label": "DAC-012", "cosine_similarity": 0.2964092493057251 } }, { "source": "CID:4078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "mesoridazine-rolipram similarity", "source_label": "mesoridazine", "target_label": "rolipram", "cosine_similarity": 0.3790580630302429 } }, { "source": "CID:644215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "CGP-60474-alvocidib similarity", "source_label": "CGP-60474", "target_label": "alvocidib", "cosine_similarity": 0.9026177525520324 } }, { "source": "CID:4753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71777", "properties": { "id": "phenacemide-lufenuron similarity", "source_label": "phenacemide", "target_label": "lufenuron", "cosine_similarity": 0.5304818153381348 } }, { "source": "CID:2752", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "cilnidipine-sorafenib similarity", "source_label": "cilnidipine", "target_label": "sorafenib", "cosine_similarity": 0.2675553262233734 } }, { "source": "CID:10479060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:125312786", "properties": { "id": "BAY-59-3074-KIN001-244 similarity", "source_label": "BAY-59-3074", "target_label": "KIN001-244", "cosine_similarity": 0.2028197646141052 } }, { "source": "CID:362328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82320", "properties": { "id": "NSC-625987-1-EBIO similarity", "source_label": "NSC-625987", "target_label": "1-EBIO", "cosine_similarity": 0.5283492803573608 } }, { "source": "CID:156414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11511120", "properties": { "id": "canertinib-dacomitinib similarity", "source_label": "canertinib", "target_label": "dacomitinib", "cosine_similarity": 0.4939744174480438 } }, { "source": "CID:5281614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "fisetin-S-isopropylisothiourea similarity", "source_label": "fisetin", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.4681882262229919 } }, { "source": "CID:11238823", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5337366", "properties": { "id": "azilsartan-medoxomil-SA-25547 similarity", "source_label": "azilsartan-medoxomil", "target_label": "SA-25547", "cosine_similarity": 0.2257653325796127 } }, { "source": "CID:60648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "tiagabine-alizapride similarity", "source_label": "tiagabine", "target_label": "alizapride", "cosine_similarity": 0.4284166395664215 } }, { "source": "CID:444254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5819", "properties": { "id": "acarbose-levothyroxine similarity", "source_label": "acarbose", "target_label": "levothyroxine", "cosine_similarity": 0.3829224109649658 } }, { "source": "CID:9935249", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68870", "properties": { "id": "tipifarnib-tianeptine similarity", "source_label": "tipifarnib", "target_label": "tianeptine", "cosine_similarity": 0.4640684127807617 } }, { "source": "CID:23846563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483270", "properties": { "id": "helveticoside-ouabain similarity", "source_label": "helveticoside", "target_label": "ouabain", "cosine_similarity": 0.6556727290153503 } }, { "source": "CID:23986045", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483303", "properties": { "id": "karakoline-gelsemine similarity", "source_label": "karakoline", "target_label": "gelsemine", "cosine_similarity": 0.394916832447052 } }, { "source": "CID:9958279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "S-26948-UNC-1215 similarity", "source_label": "S-26948", "target_label": "UNC-1215", "cosine_similarity": 0.203667476773262 } }, { "source": "CID:2369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "betaxolol-MW-STK33-4C similarity", "source_label": "betaxolol", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3003600537776947 } }, { "source": "CID:3033769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "raclopride-lersivirine similarity", "source_label": "raclopride", "target_label": "lersivirine", "cosine_similarity": 0.3354777693748474 } }, { "source": "CID:421610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "GANT-61-tamoxifen similarity", "source_label": "GANT-61", "target_label": "tamoxifen", "cosine_similarity": 0.2738769948482513 } }, { "source": "CID:25102847", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "cabozantinib-vandetanib similarity", "source_label": "cabozantinib", "target_label": "vandetanib", "cosine_similarity": 0.5080046653747559 } }, { "source": "CID:135398510", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328940", "properties": { "id": "dovitinib-bosutinib similarity", "source_label": "dovitinib", "target_label": "bosutinib", "cosine_similarity": 0.4723665416240692 } }, { "source": "CID:10398360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:691868", "properties": { "id": "3-matida-ST-4029010 similarity", "source_label": "3-matida", "target_label": "ST-4029010", "cosine_similarity": 0.3097193837165832 } }, { "source": "CID:11683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "megestrol-acetate-KU-C104140 similarity", "source_label": "megestrol-acetate", "target_label": "KU-C104140", "cosine_similarity": 0.2267178148031234 } }, { "source": "CID:35802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "flubendazole-vincristine similarity", "source_label": "flubendazole", "target_label": "vincristine", "cosine_similarity": 0.6352636218070984 } }, { "source": "CID:4488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038485", "properties": { "id": "niflumic-acid-AZD-6765 similarity", "source_label": "niflumic-acid", "target_label": "AZD-6765", "cosine_similarity": 0.2688722014427185 } }, { "source": "CID:5665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39836", "properties": { "id": "vigabatrin-L-NAME similarity", "source_label": "vigabatrin", "target_label": "L-NAME", "cosine_similarity": 0.2022168338298797 } }, { "source": "CID:22416272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "KU-C103868-topiramate similarity", "source_label": "KU-C103868", "target_label": "topiramate", "cosine_similarity": 0.2631205320358276 } }, { "source": "CID:3397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "flutamide-taranabant similarity", "source_label": "flutamide", "target_label": "taranabant", "cosine_similarity": 0.5226063132286072 } }, { "source": "CID:5311309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "nateglinide-tolnaftate similarity", "source_label": "nateglinide", "target_label": "tolnaftate", "cosine_similarity": 0.5898247957229614 } }, { "source": "CID:46191454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25227462", "properties": { "id": "PHA-793887-PF-03758309 similarity", "source_label": "PHA-793887", "target_label": "PF-03758309", "cosine_similarity": 0.7280309200286865 } }, { "source": "CID:5702106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702036", "properties": { "id": "prednisolone-dexamethasone-acetate similarity", "source_label": "prednisolone", "target_label": "dexamethasone-acetate", "cosine_similarity": 0.3498014509677887 } }, { "source": "CID:44182295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9826528", "properties": { "id": "refametinib-PD-0325901 similarity", "source_label": "refametinib", "target_label": "PD-0325901", "cosine_similarity": 0.7015906572341919 } }, { "source": "CID:68740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4494", "properties": { "id": "zoledronic-acid-nilvadipine similarity", "source_label": "zoledronic-acid", "target_label": "nilvadipine", "cosine_similarity": 0.2839012145996094 } }, { "source": "CID:5362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2765", "properties": { "id": "suxibuzone-cirazoline similarity", "source_label": "suxibuzone", "target_label": "cirazoline", "cosine_similarity": 0.1951186805963516 } }, { "source": "CID:44492524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2562", "properties": { "id": "SA-242939-pentoxyverine similarity", "source_label": "SA-242939", "target_label": "pentoxyverine", "cosine_similarity": 0.3402032554149627 } }, { "source": "CID:5311128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40632", "properties": { "id": "goserelin-acetate-pirfenidone similarity", "source_label": "goserelin-acetate", "target_label": "pirfenidone", "cosine_similarity": 0.3212987184524536 } }, { "source": "CID:11387409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3331", "properties": { "id": "oglemilast-felbamate similarity", "source_label": "oglemilast", "target_label": "felbamate", "cosine_similarity": 0.2968079745769501 } }, { "source": "CID:3337816", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "CCMQ-PT-630 similarity", "source_label": "CCMQ", "target_label": "PT-630", "cosine_similarity": 0.2927665412425995 } }, { "source": "CID:5469318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6433118", "properties": { "id": "salirasib-lirimilast similarity", "source_label": "salirasib", "target_label": "lirimilast", "cosine_similarity": 0.4718557894229889 } }, { "source": "CID:39981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "sparfosic-acid-PT-630 similarity", "source_label": "sparfosic-acid", "target_label": "PT-630", "cosine_similarity": 0.492211252450943 } }, { "source": "CID:24868309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9836739", "properties": { "id": "CD-1530-PNU-74654 similarity", "source_label": "CD-1530", "target_label": "PNU-74654", "cosine_similarity": 0.3874184787273407 } }, { "source": "CID:6857685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "PIK-90-NVP-BEZ235 similarity", "source_label": "PIK-90", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6722968816757202 } }, { "source": "CID:44497655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192484", "properties": { "id": "SA-102676-SA-1925621 similarity", "source_label": "SA-102676", "target_label": "SA-1925621", "cosine_similarity": 0.3064418733119964 } }, { "source": "CID:11784736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9874838", "properties": { "id": "Y-134-T-98475 similarity", "source_label": "Y-134", "target_label": "T-98475", "cosine_similarity": 0.6017428040504456 } }, { "source": "CID:5775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "phentolamine-TUL_XX087 similarity", "source_label": "phentolamine", "target_label": "TUL_XX087", "cosine_similarity": 0.2708609104156494 } }, { "source": "CID:5286565", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "ST-4029573-NSC-663284 similarity", "source_label": "ST-4029573", "target_label": "NSC-663284", "cosine_similarity": 0.5546941757202148 } }, { "source": "CID:148121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60750", "properties": { "id": "pralatrexate-gemcitabine similarity", "source_label": "pralatrexate", "target_label": "gemcitabine", "cosine_similarity": 0.5891070365905762 } }, { "source": "CID:121926", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "ZK-93423-KU-C104486 similarity", "source_label": "ZK-93423", "target_label": "KU-C104486", "cosine_similarity": 0.454709380865097 } }, { "source": "CID:23116322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736529", "properties": { "id": "KW-2478-BIIB-021 similarity", "source_label": "KW-2478", "target_label": "BIIB-021", "cosine_similarity": 0.8348244428634644 } }, { "source": "CID:41781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6037", "properties": { "id": "torasemide-folic-acid similarity", "source_label": "torasemide", "target_label": "folic-acid", "cosine_similarity": 0.4297930598258972 } }, { "source": "CID:445354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "retinol-cytosporone-b similarity", "source_label": "retinol", "target_label": "cytosporone-b", "cosine_similarity": 0.2999754846096039 } }, { "source": "CID:54459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "idazoxan-flumethasone-pivalate similarity", "source_label": "idazoxan", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.2978846430778503 } }, { "source": "CID:68911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593870", "properties": { "id": "artemether-KU-C103885 similarity", "source_label": "artemether", "target_label": "KU-C103885", "cosine_similarity": 0.320133775472641 } }, { "source": "CID:4207396", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3156173", "properties": { "id": "ST-014147-ST-014366 similarity", "source_label": "ST-014147", "target_label": "ST-014366", "cosine_similarity": 0.2657192349433899 } }, { "source": "CID:60753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21874557", "properties": { "id": "ibutilide-vipadenant similarity", "source_label": "ibutilide", "target_label": "vipadenant", "cosine_similarity": 0.2817608416080475 } }, { "source": "CID:223368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5291", "properties": { "id": "equilin-imatinib similarity", "source_label": "equilin", "target_label": "imatinib", "cosine_similarity": 0.3885259330272674 } }, { "source": "CID:9571107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "gemifloxacin-PK-11195 similarity", "source_label": "gemifloxacin", "target_label": "PK-11195", "cosine_similarity": 0.4251900315284729 } }, { "source": "CID:2733768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "taurodeoxycholic-acid-TAK-715 similarity", "source_label": "taurodeoxycholic-acid", "target_label": "TAK-715", "cosine_similarity": 0.2847170233726501 } }, { "source": "CID:4221587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "ST-4034902-CAM-9-021 similarity", "source_label": "ST-4034902", "target_label": "CAM-9-021", "cosine_similarity": 0.2291202098131179 } }, { "source": "CID:5501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "todralazine-APO-866 similarity", "source_label": "todralazine", "target_label": "APO-866", "cosine_similarity": 0.2374321371316909 } }, { "source": "CID:68740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918236", "properties": { "id": "zoledronic-acid-perzinfotel similarity", "source_label": "zoledronic-acid", "target_label": "perzinfotel", "cosine_similarity": 0.2227470129728317 } }, { "source": "CID:44492462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2182", "properties": { "id": "EMF-BCA1-60-anagrelide similarity", "source_label": "EMF-BCA1-60", "target_label": "anagrelide", "cosine_similarity": 0.2412348687648773 } }, { "source": "CID:3825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8249", "properties": { "id": "ketoprofen-phenformin similarity", "source_label": "ketoprofen", "target_label": "phenformin", "cosine_similarity": 0.3112273514270782 } }, { "source": "CID:9803963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "GW-501516-CV-1808 similarity", "source_label": "GW-501516", "target_label": "CV-1808", "cosine_similarity": 0.5151392221450806 } }, { "source": "CID:4917", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "prochlorperazine-sertraline similarity", "source_label": "prochlorperazine", "target_label": "sertraline", "cosine_similarity": 0.3877980411052704 } }, { "source": "CID:54669344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657734", "properties": { "id": "SA-1919667-SA-1459173 similarity", "source_label": "SA-1919667", "target_label": "SA-1459173", "cosine_similarity": 0.3365251421928406 } }, { "source": "CID:3682562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506448", "properties": { "id": "BG-1001-BG-1004 similarity", "source_label": "BG-1001", "target_label": "BG-1004", "cosine_similarity": 0.2477225065231323 } }, { "source": "CID:459617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2910", "properties": { "id": "IOX-1-cyclothiazide similarity", "source_label": "IOX-1", "target_label": "cyclothiazide", "cosine_similarity": 0.2327612191438675 } }, { "source": "CID:54659991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669462", "properties": { "id": "SA-1456576-SA-1922796 similarity", "source_label": "SA-1456576", "target_label": "SA-1922796", "cosine_similarity": 0.296045571565628 } }, { "source": "CID:44287635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7079134", "properties": { "id": "6-nitronorepinephrine-JAS07-001 similarity", "source_label": "6-nitronorepinephrine", "target_label": "JAS07-001", "cosine_similarity": 0.2222863882780075 } }, { "source": "CID:5501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6093179", "properties": { "id": "todralazine-estropipate similarity", "source_label": "todralazine", "target_label": "estropipate", "cosine_similarity": 0.2652802467346191 } }, { "source": "CID:11561383", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "nesbuvir-diazoxide similarity", "source_label": "nesbuvir", "target_label": "diazoxide", "cosine_similarity": 0.502776563167572 } }, { "source": "CID:3036864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "SCH-23390-rolipram similarity", "source_label": "SCH-23390", "target_label": "rolipram", "cosine_similarity": 0.3701221644878387 } }, { "source": "CID:222515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:265237", "properties": { "id": "brazilin-withaferin-a similarity", "source_label": "brazilin", "target_label": "withaferin-a", "cosine_similarity": 0.4854997396469116 } }, { "source": "CID:3100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2369", "properties": { "id": "diphenhydramine-betaxolol similarity", "source_label": "diphenhydramine", "target_label": "betaxolol", "cosine_similarity": 0.1871274709701538 } }, { "source": "CID:6708532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155982217", "properties": { "id": "methyl-angolensate-monensin similarity", "source_label": "methyl-angolensate", "target_label": "monensin", "cosine_similarity": 0.1808920353651046 } }, { "source": "CID:72551585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "UNC-1999-obatoclax similarity", "source_label": "UNC-1999", "target_label": "obatoclax", "cosine_similarity": 0.5350170731544495 } }, { "source": "CID:1285940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "C-646-cerulenin similarity", "source_label": "C-646", "target_label": "cerulenin", "cosine_similarity": 0.5165237188339233 } }, { "source": "CID:5694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "pirinixic-acid-FTI-276 similarity", "source_label": "pirinixic-acid", "target_label": "FTI-276", "cosine_similarity": 0.2812198996543884 } }, { "source": "CID:49846579", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25126798", "properties": { "id": "GDC-0199-ruxolitinib similarity", "source_label": "GDC-0199", "target_label": "ruxolitinib", "cosine_similarity": 0.4569264054298401 } }, { "source": "CID:446313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707614", "properties": { "id": "SR-12813-KW-06 similarity", "source_label": "SR-12813", "target_label": "KW-06", "cosine_similarity": 0.2844503819942474 } }, { "source": "CID:667511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9615346", "properties": { "id": "tramadol-cefepime similarity", "source_label": "tramadol", "target_label": "cefepime", "cosine_similarity": 0.3633479177951813 } }, { "source": "CID:54657733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10398360", "properties": { "id": "SA-1459002-3-matida similarity", "source_label": "SA-1459002", "target_label": "3-matida", "cosine_similarity": 0.1968742907047271 } }, { "source": "CID:54676535", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1261822", "properties": { "id": "scandenin-ML-193 similarity", "source_label": "scandenin", "target_label": "ML-193", "cosine_similarity": 0.2127912491559982 } }, { "source": "CID:460", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707476", "properties": { "id": "guaiacol-pivampicillin similarity", "source_label": "guaiacol", "target_label": "pivampicillin", "cosine_similarity": 0.2204896211624145 } }, { "source": "CID:73010922", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "ischemin-EX-527 similarity", "source_label": "ischemin", "target_label": "EX-527", "cosine_similarity": 0.3922289311885834 } }, { "source": "CID:51039095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "AZD-4547-SA-1921456 similarity", "source_label": "AZD-4547", "target_label": "SA-1921456", "cosine_similarity": 0.4144502282142639 } }, { "source": "CID:60184300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60192484", "properties": { "id": "SA-1938867-SA-1925621 similarity", "source_label": "SA-1938867", "target_label": "SA-1925621", "cosine_similarity": 0.3313029408454895 } }, { "source": "CID:16046239", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803963", "properties": { "id": "TCB2-GW-501516 similarity", "source_label": "TCB2", "target_label": "GW-501516", "cosine_similarity": 0.2335459291934967 } }, { "source": "CID:7083563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119182", "properties": { "id": "floxuridine-clofarabine similarity", "source_label": "floxuridine", "target_label": "clofarabine", "cosine_similarity": 0.7655251622200012 } }, { "source": "CID:71781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "MDL-11939-tetrahydrouridine similarity", "source_label": "MDL-11939", "target_label": "tetrahydrouridine", "cosine_similarity": 0.360535591840744 } }, { "source": "CID:4183496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "EMF-bca1-16-CVF-SUMO-11 similarity", "source_label": "EMF-bca1-16", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.7916389107704163 } }, { "source": "CID:3106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483939", "properties": { "id": "dipropyl-dopamine-SA-1944378 similarity", "source_label": "dipropyl-dopamine", "target_label": "SA-1944378", "cosine_similarity": 0.3271906971931457 } }, { "source": "CID:755673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "MW-STK33-4C-TUL-XX025TFA similarity", "source_label": "MW-STK33-4C", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3890044689178467 } }, { "source": "CID:73707380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "fumonisin-b1-amisulpride similarity", "source_label": "fumonisin-b1", "target_label": "amisulpride", "cosine_similarity": 0.5610645413398743 } }, { "source": "CID:5353852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25118059", "properties": { "id": "oxamflatin-BG-1005 similarity", "source_label": "oxamflatin", "target_label": "BG-1005", "cosine_similarity": 0.5405599474906921 } }, { "source": "CID:23116322", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "KW-2478-NVP-AUY922 similarity", "source_label": "KW-2478", "target_label": "NVP-AUY922", "cosine_similarity": 0.8962433934211731 } }, { "source": "CID:4237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "mofezolac-KU-C104236N similarity", "source_label": "mofezolac", "target_label": "KU-C104236N", "cosine_similarity": 0.2631869912147522 } }, { "source": "CID:44503122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668617", "properties": { "id": "SA-101776-SA-1919248 similarity", "source_label": "SA-101776", "target_label": "SA-1919248", "cosine_similarity": 0.2993647754192352 } }, { "source": "CID:4418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "naftopidil-reboxetine similarity", "source_label": "naftopidil", "target_label": "reboxetine", "cosine_similarity": 0.3707098066806793 } }, { "source": "CID:4946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18381", "properties": { "id": "propranolol-dicloxacillin similarity", "source_label": "propranolol", "target_label": "dicloxacillin", "cosine_similarity": 0.2498665004968643 } }, { "source": "CID:56928031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9867770", "properties": { "id": "KUC111109N-JTE-907 similarity", "source_label": "KUC111109N", "target_label": "JTE-907", "cosine_similarity": 0.1837767511606216 } }, { "source": "CID:6708718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6466", "properties": { "id": "lupanine-MD-920 similarity", "source_label": "lupanine", "target_label": "MD-920", "cosine_similarity": 0.3339428305625915 } }, { "source": "CID:2726824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "XAV-939-fluoropyruvate similarity", "source_label": "XAV-939", "target_label": "fluoropyruvate", "cosine_similarity": 0.4096893072128296 } }, { "source": "CID:4514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51576", "properties": { "id": "nizofenone-acifran similarity", "source_label": "nizofenone", "target_label": "acifran", "cosine_similarity": 0.3308963179588318 } }, { "source": "CID:443278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "pifithrin-AC-55649 similarity", "source_label": "pifithrin", "target_label": "AC-55649", "cosine_similarity": 0.1901846081018448 } }, { "source": "CID:65833", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "milnacipran-emedastine similarity", "source_label": "milnacipran", "target_label": "emedastine", "cosine_similarity": 0.5634778738021851 } }, { "source": "CID:43345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "P-1075-phenothiazine similarity", "source_label": "P-1075", "target_label": "phenothiazine", "cosine_similarity": 0.3101978003978729 } }, { "source": "CID:5328807", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67946", "properties": { "id": "tyrphostin-51-fluoropyruvate similarity", "source_label": "tyrphostin-51", "target_label": "fluoropyruvate", "cosine_similarity": 0.2611110806465149 } }, { "source": "CID:70680401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3925", "properties": { "id": "MW-SHH-250-QX-314 similarity", "source_label": "MW-SHH-250", "target_label": "QX-314", "cosine_similarity": 0.2857151329517364 } }, { "source": "CID:5361092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3950", "properties": { "id": "butorphanol-(+)-tartrate-lomustine similarity", "source_label": "butorphanol-(+)-tartrate", "target_label": "lomustine", "cosine_similarity": 0.1441463083028793 } }, { "source": "CID:18381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "dicloxacillin-GDC-0199 similarity", "source_label": "dicloxacillin", "target_label": "GDC-0199", "cosine_similarity": 0.3741902112960815 } }, { "source": "CID:443872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "eplerenone-diphenylpyraline similarity", "source_label": "eplerenone", "target_label": "diphenylpyraline", "cosine_similarity": 0.3417527377605438 } }, { "source": "CID:2236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287969", "properties": { "id": "aristolochic-acid-alvocidib similarity", "source_label": "aristolochic-acid", "target_label": "alvocidib", "cosine_similarity": 0.2639572918415069 } }, { "source": "CID:5709", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "xylometazoline-CV-1808 similarity", "source_label": "xylometazoline", "target_label": "CV-1808", "cosine_similarity": 0.2587205469608307 } }, { "source": "CID:10687292", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "cytosporone-b-PK-11195 similarity", "source_label": "cytosporone-b", "target_label": "PK-11195", "cosine_similarity": 0.4341666400432586 } }, { "source": "CID:4911", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "probenecid-alaproclate similarity", "source_label": "probenecid", "target_label": "alaproclate", "cosine_similarity": 0.3562146425247192 } }, { "source": "CID:5283454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "oleoylethanolamide-NNC-711 similarity", "source_label": "oleoylethanolamide", "target_label": "NNC-711", "cosine_similarity": 0.3479200601577759 } }, { "source": "CID:53359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "tolrestat-linsidomine similarity", "source_label": "tolrestat", "target_label": "linsidomine", "cosine_similarity": 0.2065432220697403 } }, { "source": "CID:20854254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "KU-C104236N-Gossypetin similarity", "source_label": "KU-C104236N", "target_label": "Gossypetin", "cosine_similarity": 0.3392201960086822 } }, { "source": "CID:10405323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "WR-216174-CVF-SUMO-11 similarity", "source_label": "WR-216174", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.5102278590202332 } }, { "source": "CID:5311276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3598", "properties": { "id": "L-168049-hexachlorophene similarity", "source_label": "L-168049", "target_label": "hexachlorophene", "cosine_similarity": 0.3777799904346466 } }, { "source": "CID:123631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "gefitinib-lapatinib similarity", "source_label": "gefitinib", "target_label": "lapatinib", "cosine_similarity": 0.6708446741104126 } }, { "source": "CID:5328", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1858", "properties": { "id": "sulfamethizole-6-chloromelatonin similarity", "source_label": "sulfamethizole", "target_label": "6-chloromelatonin", "cosine_similarity": 0.3445665836334228 } }, { "source": "CID:6726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "cyclizine-linsidomine similarity", "source_label": "cyclizine", "target_label": "linsidomine", "cosine_similarity": 0.5550992488861084 } }, { "source": "CID:695347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "ST-4039884-T-5345967 similarity", "source_label": "ST-4039884", "target_label": "T-5345967", "cosine_similarity": 0.2919749617576599 } }, { "source": "CID:188244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10620479", "properties": { "id": "allantoxanamide-BML-278 similarity", "source_label": "allantoxanamide", "target_label": "BML-278", "cosine_similarity": 0.2963391244411468 } }, { "source": "CID:81423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "aminoindazole-FTI-276 similarity", "source_label": "aminoindazole", "target_label": "FTI-276", "cosine_similarity": 0.2038607746362686 } }, { "source": "CID:441749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "napelline-motesanib similarity", "source_label": "napelline", "target_label": "motesanib", "cosine_similarity": 0.2478931099176406 } }, { "source": "CID:442544", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281071", "properties": { "id": "tremulacin-olopatadine similarity", "source_label": "tremulacin", "target_label": "olopatadine", "cosine_similarity": 0.2782250940799713 } }, { "source": "CID:5462501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11360391", "properties": { "id": "enalaprilat-A-769662 similarity", "source_label": "enalaprilat", "target_label": "A-769662", "cosine_similarity": 0.1816587895154953 } }, { "source": "CID:5281037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610281", "properties": { "id": "eprosartan-lithium-chloride similarity", "source_label": "eprosartan", "target_label": "lithium-chloride", "cosine_similarity": 0.2543396055698395 } }, { "source": "CID:65957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "pazufloxacin-emedastine similarity", "source_label": "pazufloxacin", "target_label": "emedastine", "cosine_similarity": 0.3624374866485595 } }, { "source": "CID:6560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:124846", "properties": { "id": "penicillin-HTMT similarity", "source_label": "penicillin", "target_label": "HTMT", "cosine_similarity": 0.2600378394126892 } }, { "source": "CID:37393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "halofantrine-taranabant similarity", "source_label": "halofantrine", "target_label": "taranabant", "cosine_similarity": 0.3528681099414825 } }, { "source": "CID:10071166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5283454", "properties": { "id": "DCPIB-oleoylethanolamide similarity", "source_label": "DCPIB", "target_label": "oleoylethanolamide", "cosine_similarity": 0.2611932158470154 } }, { "source": "CID:129010051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856237", "properties": { "id": "dioscin-FU-JMBII105B similarity", "source_label": "dioscin", "target_label": "FU-JMBII105B", "cosine_similarity": 0.206592246890068 } }, { "source": "CID:10160238", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "tasisulam-gemifloxacin similarity", "source_label": "tasisulam", "target_label": "gemifloxacin", "cosine_similarity": 0.2852185666561126 } }, { "source": "CID:2809486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13817", "properties": { "id": "S-206352-benzopurpurin-4b similarity", "source_label": "S-206352", "target_label": "benzopurpurin-4b", "cosine_similarity": 0.3021366894245147 } }, { "source": "CID:5281894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604926", "properties": { "id": "NSC-94258-SB-334867 similarity", "source_label": "NSC-94258", "target_label": "SB-334867", "cosine_similarity": 0.206875666975975 } }, { "source": "CID:5702041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4369270", "properties": { "id": "digitoxin-digitoxigenin similarity", "source_label": "digitoxin", "target_label": "digitoxigenin", "cosine_similarity": 0.6775630712509155 } }, { "source": "CID:4528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311047", "properties": { "id": "nomifensine-cisapride similarity", "source_label": "nomifensine", "target_label": "cisapride", "cosine_similarity": 0.2243271172046661 } }, { "source": "CID:122070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16739244", "properties": { "id": "L-655240-lersivirine similarity", "source_label": "L-655240", "target_label": "lersivirine", "cosine_similarity": 0.4611572623252868 } }, { "source": "CID:3325", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6917960", "properties": { "id": "famotidine-KBG similarity", "source_label": "famotidine", "target_label": "KBG", "cosine_similarity": 0.3637175261974334 } }, { "source": "CID:5361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45006141", "properties": { "id": "suramin-pregnenolone-succinate similarity", "source_label": "suramin", "target_label": "pregnenolone-succinate", "cosine_similarity": 0.2951875627040863 } }, { "source": "CID:7015679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4806", "properties": { "id": "eseroline-phthalylsulfathiazole similarity", "source_label": "eseroline", "target_label": "phthalylsulfathiazole", "cosine_similarity": 0.2098772376775741 } }, { "source": "CID:16211224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "6-hydroxytropinone-piperacillin similarity", "source_label": "6-hydroxytropinone", "target_label": "piperacillin", "cosine_similarity": 0.43376025557518 } }, { "source": "CID:5282230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "tranilast-imiloxan similarity", "source_label": "tranilast", "target_label": "imiloxan", "cosine_similarity": 0.3645710349082947 } }, { "source": "CID:11647372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "ZSTK-474-NVP-BEZ235 similarity", "source_label": "ZSTK-474", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7550554871559143 } }, { "source": "CID:44629744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "KU-C104248-amikacin similarity", "source_label": "KU-C104248", "target_label": "amikacin", "cosine_similarity": 0.6214548349380493 } }, { "source": "CID:33613", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25124826", "properties": { "id": "amoxicillin-PSB-06126 similarity", "source_label": "amoxicillin", "target_label": "PSB-06126", "cosine_similarity": 0.2189144045114517 } }, { "source": "CID:168182", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "valyltryptophan-GW-5074 similarity", "source_label": "valyltryptophan", "target_label": "GW-5074", "cosine_similarity": 0.2907787561416626 } }, { "source": "CID:107950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59768", "properties": { "id": "CL-218872-esmolol similarity", "source_label": "CL-218872", "target_label": "esmolol", "cosine_similarity": 0.3509171307086944 } }, { "source": "CID:54666567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657716", "properties": { "id": "SA-1922261-SA-1457472 similarity", "source_label": "SA-1922261", "target_label": "SA-1457472", "cosine_similarity": 0.2169595062732696 } }, { "source": "CID:10126189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:379077", "properties": { "id": "YM-155-NSC-663284 similarity", "source_label": "YM-155", "target_label": "NSC-663284", "cosine_similarity": 0.4971238672733307 } }, { "source": "CID:24826799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "ponatinib-neratinib similarity", "source_label": "ponatinib", "target_label": "neratinib", "cosine_similarity": 0.660050630569458 } }, { "source": "CID:5358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "sumatriptan-resatorvid similarity", "source_label": "sumatriptan", "target_label": "resatorvid", "cosine_similarity": 0.5013696551322937 } }, { "source": "CID:73707538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1009-BML-210 similarity", "source_label": "BG-1009", "target_label": "BML-210", "cosine_similarity": 0.5341123938560486 } }, { "source": "CID:6413301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "VLX-600-SC-144 similarity", "source_label": "VLX-600", "target_label": "SC-144", "cosine_similarity": 0.6135273575782776 } }, { "source": "CID:5526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353593", "properties": { "id": "tranexamic-acid-DMBI similarity", "source_label": "tranexamic-acid", "target_label": "DMBI", "cosine_similarity": 0.1842858791351318 } }, { "source": "CID:53465279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9824562", "properties": { "id": "lesinurad-andarine similarity", "source_label": "lesinurad", "target_label": "andarine", "cosine_similarity": 0.3572163879871368 } }, { "source": "CID:47528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312145", "properties": { "id": "nicorandil-Ro-04-6790 similarity", "source_label": "nicorandil", "target_label": "Ro-04-6790", "cosine_similarity": 0.2261750996112823 } }, { "source": "CID:5353962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2837663", "properties": { "id": "ST-638-foliosidine similarity", "source_label": "ST-638", "target_label": "foliosidine", "cosine_similarity": 0.2405647188425064 } }, { "source": "CID:9868037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10113978", "properties": { "id": "OSI-930-pazopanib similarity", "source_label": "OSI-930", "target_label": "pazopanib", "cosine_similarity": 0.364932656288147 } }, { "source": "CID:656765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "DCEBIO-NU-1025 similarity", "source_label": "DCEBIO", "target_label": "NU-1025", "cosine_similarity": 0.2236931473016739 } }, { "source": "CID:3955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3396", "properties": { "id": "loperamide-fluspirilene similarity", "source_label": "loperamide", "target_label": "fluspirilene", "cosine_similarity": 0.5183457732200623 } }, { "source": "CID:4105", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "met-leu-phe-Gossypetin similarity", "source_label": "met-leu-phe", "target_label": "Gossypetin", "cosine_similarity": 0.3041740655899048 } }, { "source": "CID:71317162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "GSK-1059615-NVP-BEZ235 similarity", "source_label": "GSK-1059615", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7568942308425903 } }, { "source": "CID:3034010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "orlistat-tetrandrine similarity", "source_label": "orlistat", "target_label": "tetrandrine", "cosine_similarity": 0.5302724838256836 } }, { "source": "CID:5468216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "RG-13022-temozolomide similarity", "source_label": "RG-13022", "target_label": "temozolomide", "cosine_similarity": 0.2641346752643585 } }, { "source": "CID:2165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:774", "properties": { "id": "amodiaquine-histamine similarity", "source_label": "amodiaquine", "target_label": "histamine", "cosine_similarity": 0.3920478224754333 } }, { "source": "CID:24946690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4413", "properties": { "id": "bitopertin-nafamostat similarity", "source_label": "bitopertin", "target_label": "nafamostat", "cosine_similarity": 0.4733648896217346 } }, { "source": "CID:54660111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4160", "properties": { "id": "SA-1459481-methyl-testosterone similarity", "source_label": "SA-1459481", "target_label": "methyl-testosterone", "cosine_similarity": 0.2215232700109481 } }, { "source": "CID:800654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286565", "properties": { "id": "ARG-A1-22-ST-4029573 similarity", "source_label": "ARG-A1-22", "target_label": "ST-4029573", "cosine_similarity": 0.3757630288600921 } }, { "source": "CID:56654642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865515", "properties": { "id": "RG-2833-mocetinostat similarity", "source_label": "RG-2833", "target_label": "mocetinostat", "cosine_similarity": 0.3906590342521667 } }, { "source": "CID:2946601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72200818", "properties": { "id": "JW-55-GSK-J1 similarity", "source_label": "JW-55", "target_label": "GSK-J1", "cosine_similarity": 0.5355430245399475 } }, { "source": "CID:176407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "ZM-241385-NSC-632839 similarity", "source_label": "ZM-241385", "target_label": "NSC-632839", "cosine_similarity": 0.2651771605014801 } }, { "source": "CID:20054848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "bietaserpine-GR-127935 similarity", "source_label": "bietaserpine", "target_label": "GR-127935", "cosine_similarity": 0.2390724420547485 } }, { "source": "CID:6918537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "vildagliptin-mestranol similarity", "source_label": "vildagliptin", "target_label": "mestranol", "cosine_similarity": 0.2831043899059295 } }, { "source": "CID:44484798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616431", "properties": { "id": "SA-89735-SA-441145 similarity", "source_label": "SA-89735", "target_label": "SA-441145", "cosine_similarity": 0.4973654448986053 } }, { "source": "CID:3639", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2284", "properties": { "id": "hydrochlorothiazide-baclofen similarity", "source_label": "hydrochlorothiazide", "target_label": "baclofen", "cosine_similarity": 0.2309807538986206 } }, { "source": "CID:6710662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443943", "properties": { "id": "fluocinolone-acetonide-halcinonide similarity", "source_label": "fluocinolone-acetonide", "target_label": "halcinonide", "cosine_similarity": 0.5821151733398438 } }, { "source": "CID:71414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "diflorasone-hydrocortisone similarity", "source_label": "diflorasone", "target_label": "hydrocortisone", "cosine_similarity": 0.3667391836643219 } }, { "source": "CID:5002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "quetiapine-carbamazepine similarity", "source_label": "quetiapine", "target_label": "carbamazepine", "cosine_similarity": 0.5419416427612305 } }, { "source": "CID:4822", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918509", "properties": { "id": "pimethixene-BIBN-4096 similarity", "source_label": "pimethixene", "target_label": "BIBN-4096", "cosine_similarity": 0.1567565500736236 } }, { "source": "CID:6918097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60877", "properties": { "id": "dexniguldipine-emtricitabine similarity", "source_label": "dexniguldipine", "target_label": "emtricitabine", "cosine_similarity": 0.3889282047748565 } }, { "source": "CID:6437068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5601", "properties": { "id": "enevalproate-thenoyltrifluoroacetone similarity", "source_label": "enevalproate", "target_label": "thenoyltrifluoroacetone", "cosine_similarity": 0.210990235209465 } }, { "source": "CID:11977753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16736978", "properties": { "id": "NVP-BEZ235-KU-0063794 similarity", "source_label": "NVP-BEZ235", "target_label": "KU-0063794", "cosine_similarity": 0.9168373346328736 } }, { "source": "CID:16758824", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9705", "properties": { "id": "N-benzylnaltrindole-AY-9944 similarity", "source_label": "N-benzylnaltrindole", "target_label": "AY-9944", "cosine_similarity": 0.3092938363552093 } }, { "source": "CID:9871074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "talmapimod-manumycin-a similarity", "source_label": "talmapimod", "target_label": "manumycin-a", "cosine_similarity": 0.2935402989387512 } }, { "source": "CID:71771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2196", "properties": { "id": "aceclofenac-aniracetam similarity", "source_label": "aceclofenac", "target_label": "aniracetam", "cosine_similarity": 0.3005465567111969 } }, { "source": "CID:2802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "clonazepam-efavirenz similarity", "source_label": "clonazepam", "target_label": "efavirenz", "cosine_similarity": 0.4055994153022766 } }, { "source": "CID:153941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "entecavir-zolpidem similarity", "source_label": "entecavir", "target_label": "zolpidem", "cosine_similarity": 0.4330064654350281 } }, { "source": "CID:8982", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "nafcillin-darinaparsin similarity", "source_label": "nafcillin", "target_label": "darinaparsin", "cosine_similarity": 0.3647001087665558 } }, { "source": "CID:2816236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "HTS-12264SC-KU-C103428N similarity", "source_label": "HTS-12264SC", "target_label": "KU-C103428N", "cosine_similarity": 0.2727509438991546 } }, { "source": "CID:172997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034010", "properties": { "id": "lixivaptan-orlistat similarity", "source_label": "lixivaptan", "target_label": "orlistat", "cosine_similarity": 0.3041980862617492 } }, { "source": "CID:5597", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "troxipide-pepstatin similarity", "source_label": "troxipide", "target_label": "pepstatin", "cosine_similarity": 0.2403215616941452 } }, { "source": "CID:24875320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "ALW-II-49-7-AC-55649 similarity", "source_label": "ALW-II-49-7", "target_label": "AC-55649", "cosine_similarity": 0.3614465296268463 } }, { "source": "CID:6450551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "axitinib-parbendazole similarity", "source_label": "axitinib", "target_label": "parbendazole", "cosine_similarity": 0.3187699019908905 } }, { "source": "CID:5702051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657237", "properties": { "id": "estradiol-cypionate-fludarabine similarity", "source_label": "estradiol-cypionate", "target_label": "fludarabine", "cosine_similarity": 0.4716366529464721 } }, { "source": "CID:4534086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "KB-R7943-BIBU-1361 similarity", "source_label": "KB-R7943", "target_label": "BIBU-1361", "cosine_similarity": 0.6146067380905151 } }, { "source": "CID:14987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2075", "properties": { "id": "lysergol-aklomide similarity", "source_label": "lysergol", "target_label": "aklomide", "cosine_similarity": 0.219074547290802 } }, { "source": "CID:6710659", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282493", "properties": { "id": "fludrocortisone-acetate-clocortolone-pivalate similarity", "source_label": "fludrocortisone-acetate", "target_label": "clocortolone-pivalate", "cosine_similarity": 0.3230015933513641 } }, { "source": "CID:44607360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "WZ-3146-BIBU-1361 similarity", "source_label": "WZ-3146", "target_label": "BIBU-1361", "cosine_similarity": 0.5138471126556396 } }, { "source": "CID:3306", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "etilefrine-rolipram similarity", "source_label": "etilefrine", "target_label": "rolipram", "cosine_similarity": 0.2967131733894348 } }, { "source": "CID:9951687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245456", "properties": { "id": "methyl-fasudil-TUL_XIX003 similarity", "source_label": "methyl-fasudil", "target_label": "TUL_XIX003", "cosine_similarity": 0.4158926904201507 } }, { "source": "CID:2551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71077", "properties": { "id": "carbachol-D-serine similarity", "source_label": "carbachol", "target_label": "D-serine", "cosine_similarity": 0.3663195073604584 } }, { "source": "CID:43008", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "alizapride-SB-683698 similarity", "source_label": "alizapride", "target_label": "SB-683698", "cosine_similarity": 0.486828088760376 } }, { "source": "CID:2442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "bromhexine-evodiamine similarity", "source_label": "bromhexine", "target_label": "evodiamine", "cosine_similarity": 0.2794494032859802 } }, { "source": "CID:51576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "acifran-rifabutin similarity", "source_label": "acifran", "target_label": "rifabutin", "cosine_similarity": 0.5646006464958191 } }, { "source": "CID:4850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8215", "properties": { "id": "piribedil-AGP-103 similarity", "source_label": "piribedil", "target_label": "AGP-103", "cosine_similarity": 0.3261144161224365 } }, { "source": "CID:2576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3827", "properties": { "id": "carisoprodol-ketotifen similarity", "source_label": "carisoprodol", "target_label": "ketotifen", "cosine_similarity": 0.2223992347717285 } }, { "source": "CID:15301607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "VU-0415012-resorcinol similarity", "source_label": "VU-0415012", "target_label": "resorcinol", "cosine_similarity": 0.1812998950481414 } }, { "source": "CID:1893730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11296282", "properties": { "id": "XL-147-DG-041 similarity", "source_label": "XL-147", "target_label": "DG-041", "cosine_similarity": 0.2615589797496795 } }, { "source": "CID:44456237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "SID-26681509-GW-9662 similarity", "source_label": "SID-26681509", "target_label": "GW-9662", "cosine_similarity": 0.3820943236351013 } }, { "source": "CID:5281804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2431", "properties": { "id": "prunetin-bretylium similarity", "source_label": "prunetin", "target_label": "bretylium", "cosine_similarity": 0.2180315107107162 } }, { "source": "CID:2477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637563", "properties": { "id": "buspirone-anethole similarity", "source_label": "buspirone", "target_label": "anethole", "cosine_similarity": 0.2407885938882827 } }, { "source": "CID:54668530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666590", "properties": { "id": "SA-1920722-SA-1922959 similarity", "source_label": "SA-1920722", "target_label": "SA-1922959", "cosine_similarity": 0.3273713588714599 } }, { "source": "CID:2708", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60838", "properties": { "id": "chlorambucil-irinotecan similarity", "source_label": "chlorambucil", "target_label": "irinotecan", "cosine_similarity": 0.3776441216468811 } }, { "source": "CID:6918324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3354", "properties": { "id": "tonabersat-flavoxate similarity", "source_label": "tonabersat", "target_label": "flavoxate", "cosine_similarity": 0.4235458076000213 } }, { "source": "CID:3156173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "ST-014366-GW-9508 similarity", "source_label": "ST-014366", "target_label": "GW-9508", "cosine_similarity": 0.2835794687271118 } }, { "source": "CID:6918097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42642645", "properties": { "id": "dexniguldipine-foretinib similarity", "source_label": "dexniguldipine", "target_label": "foretinib", "cosine_similarity": 0.3655737042427063 } }, { "source": "CID:54669151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660194", "properties": { "id": "SA-1921783-SA-1458902 similarity", "source_label": "SA-1921783", "target_label": "SA-1458902", "cosine_similarity": 0.2470708042383194 } }, { "source": "CID:4659569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4634", "properties": { "id": "tolcapone-oxybutynin similarity", "source_label": "tolcapone", "target_label": "oxybutynin", "cosine_similarity": 0.3543567955493927 } }, { "source": "CID:3033769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676478", "properties": { "id": "raclopride-roquinimex similarity", "source_label": "raclopride", "target_label": "roquinimex", "cosine_similarity": 0.3450140953063965 } }, { "source": "CID:323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "coumarin-Gossypetin similarity", "source_label": "coumarin", "target_label": "Gossypetin", "cosine_similarity": 0.3624933958053589 } }, { "source": "CID:3009355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5310993", "properties": { "id": "vicriviroc-acipimox similarity", "source_label": "vicriviroc", "target_label": "acipimox", "cosine_similarity": 0.2777459025382995 } }, { "source": "CID:54657730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-1458450-SA-89735 similarity", "source_label": "SA-1458450", "target_label": "SA-89735", "cosine_similarity": 0.3094133138656616 } }, { "source": "CID:11848225", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281078", "properties": { "id": "cebranopadol-mycophenolate-mofetil similarity", "source_label": "cebranopadol", "target_label": "mycophenolate-mofetil", "cosine_similarity": 0.332944393157959 } }, { "source": "CID:44484501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500308", "properties": { "id": "SA-244466-SA-243193 similarity", "source_label": "SA-244466", "target_label": "SA-243193", "cosine_similarity": 0.2154213637113571 } }, { "source": "CID:17754438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "PF-04217903-orciprenaline similarity", "source_label": "PF-04217903", "target_label": "orciprenaline", "cosine_similarity": 0.4274737536907196 } }, { "source": "CID:14900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5742673", "properties": { "id": "1-monopalmitin-cefotaxime similarity", "source_label": "1-monopalmitin", "target_label": "cefotaxime", "cosine_similarity": 0.3053410649299621 } }, { "source": "CID:11270783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "GS-6201-dideoxyadenosine similarity", "source_label": "GS-6201", "target_label": "dideoxyadenosine", "cosine_similarity": 0.1698632389307022 } }, { "source": "CID:9549289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "TWS-119-ibrutinib similarity", "source_label": "TWS-119", "target_label": "ibrutinib", "cosine_similarity": 0.3736509680747986 } }, { "source": "CID:108094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "RX-821002-fillalbin similarity", "source_label": "RX-821002", "target_label": "fillalbin", "cosine_similarity": 0.2844018638134002 } }, { "source": "CID:5356121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "flavokavain-b-SA-792709 similarity", "source_label": "flavokavain-b", "target_label": "SA-792709", "cosine_similarity": 0.5510187149047852 } }, { "source": "CID:24856224", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "FU-JMBII113B-carbon-tetrachloride similarity", "source_label": "FU-JMBII113B", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.251803994178772 } }, { "source": "CID:3365", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1983", "properties": { "id": "fluconazole-paracetamol similarity", "source_label": "fluconazole", "target_label": "paracetamol", "cosine_similarity": 0.3734852373600006 } }, { "source": "CID:5191289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104865", "properties": { "id": "Ro-60-0175-bosentan similarity", "source_label": "Ro-60-0175", "target_label": "bosentan", "cosine_similarity": 0.2667216956615448 } }, { "source": "CID:6708558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "haematoxylin-pentaacetate-tirasemtiv similarity", "source_label": "haematoxylin-pentaacetate", "target_label": "tirasemtiv", "cosine_similarity": 0.2263421863317489 } }, { "source": "CID:1981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "acemetacin-gemfibrozil similarity", "source_label": "acemetacin", "target_label": "gemfibrozil", "cosine_similarity": 0.2780791819095611 } }, { "source": "CID:73707543", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "BG-1025-ISOX similarity", "source_label": "BG-1025", "target_label": "ISOX", "cosine_similarity": 0.3941091299057007 } }, { "source": "CID:107992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "MK-212-L-ergothioneine similarity", "source_label": "MK-212", "target_label": "L-ergothioneine", "cosine_similarity": 0.6359081864356995 } }, { "source": "CID:3202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "edrophonium-AICA-ribonucleotide similarity", "source_label": "edrophonium", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.2391492426395416 } }, { "source": "CID:23036271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44907115", "properties": { "id": "VU-0413255-1-VU-0413238-1 similarity", "source_label": "VU-0413255-1", "target_label": "VU-0413238-1", "cosine_similarity": 0.2061889767646789 } }, { "source": "CID:24857286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "TAK-875-riociguat similarity", "source_label": "TAK-875", "target_label": "riociguat", "cosine_similarity": 0.2926061749458313 } }, { "source": "CID:57267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44129591", "properties": { "id": "eticlopride-VU-0366968 similarity", "source_label": "eticlopride", "target_label": "VU-0366968", "cosine_similarity": 0.22663214802742 } }, { "source": "CID:10219702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "DR-2313-phenoxazine similarity", "source_label": "DR-2313", "target_label": "phenoxazine", "cosine_similarity": 0.381199836730957 } }, { "source": "CID:5282071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "sirolimus-NVP-BEZ235 similarity", "source_label": "sirolimus", "target_label": "NVP-BEZ235", "cosine_similarity": 0.7890938520431519 } }, { "source": "CID:4075", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53347979", "properties": { "id": "mesalazine-BG-STK33-03 similarity", "source_label": "mesalazine", "target_label": "BG-STK33-03", "cosine_similarity": 0.2268696576356887 } }, { "source": "CID:23789067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "sisomicin-erythrosine similarity", "source_label": "sisomicin", "target_label": "erythrosine", "cosine_similarity": 0.1966608166694641 } }, { "source": "CID:44484592", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190226", "properties": { "id": "SA-424534-SA-1925996 similarity", "source_label": "SA-424534", "target_label": "SA-1925996", "cosine_similarity": 0.240539938211441 } }, { "source": "CID:44506644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658498", "properties": { "id": "SA-247508-SA-1459167 similarity", "source_label": "SA-247508", "target_label": "SA-1459167", "cosine_similarity": 0.4057665765285492 } }, { "source": "CID:22416236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475586", "properties": { "id": "KU-C103655-BCI-hydrochloride similarity", "source_label": "KU-C103655", "target_label": "BCI-hydrochloride", "cosine_similarity": 0.3512941896915436 } }, { "source": "CID:2817242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "BML-266-sorafenib similarity", "source_label": "BML-266", "target_label": "sorafenib", "cosine_similarity": 0.2639859318733215 } }, { "source": "CID:16759155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "DAU-5884-DAC-012 similarity", "source_label": "DAU-5884", "target_label": "DAC-012", "cosine_similarity": 0.2840118706226349 } }, { "source": "CID:10660", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "dimenhydrinate-marbofloxacin similarity", "source_label": "dimenhydrinate", "target_label": "marbofloxacin", "cosine_similarity": 0.18277408182621 } }, { "source": "CID:5281672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "myricetin-Gossypetin similarity", "source_label": "myricetin", "target_label": "Gossypetin", "cosine_similarity": 0.5271982550621033 } }, { "source": "CID:2713", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "chlorhexidine-I-070759 similarity", "source_label": "chlorhexidine", "target_label": "I-070759", "cosine_similarity": 0.4803973138332367 } }, { "source": "CID:53276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "flupirtine-rimonabant similarity", "source_label": "flupirtine", "target_label": "rimonabant", "cosine_similarity": 0.240900918841362 } }, { "source": "CID:23637804", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:88505", "properties": { "id": "ceforanide-DMNB similarity", "source_label": "ceforanide", "target_label": "DMNB", "cosine_similarity": 0.2406279742717743 } }, { "source": "CID:13817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "benzopurpurin-4b-phenothiazine similarity", "source_label": "benzopurpurin-4b", "target_label": "phenothiazine", "cosine_similarity": 0.321126788854599 } }, { "source": "CID:7073234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10660", "properties": { "id": "catharanthine-dimenhydrinate similarity", "source_label": "catharanthine", "target_label": "dimenhydrinate", "cosine_similarity": 0.2352169156074524 } }, { "source": "CID:44483247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:39147", "properties": { "id": "prednicarbate-nadolol similarity", "source_label": "prednicarbate", "target_label": "nadolol", "cosine_similarity": 0.3247521221637726 } }, { "source": "CID:107896", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "gabazine-PT-630 similarity", "source_label": "gabazine", "target_label": "PT-630", "cosine_similarity": 0.3721556663513183 } }, { "source": "CID:1133083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "BG-1013-BG-1024 similarity", "source_label": "BG-1013", "target_label": "BG-1024", "cosine_similarity": 0.5351408123970032 } }, { "source": "CID:3108", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "dipyridamole-tolnaftate similarity", "source_label": "dipyridamole", "target_label": "tolnaftate", "cosine_similarity": 0.554495632648468 } }, { "source": "CID:44618423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:101989", "properties": { "id": "SD-6-035-A1-androstenol similarity", "source_label": "SD-6-035-A1", "target_label": "androstenol", "cosine_similarity": 0.2298057675361633 } }, { "source": "CID:15951529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "enzalutamide-cytosporone-b similarity", "source_label": "enzalutamide", "target_label": "cytosporone-b", "cosine_similarity": 0.5371263027191162 } }, { "source": "CID:9954280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52914932", "properties": { "id": "nTZDpa-SAR-245408 similarity", "source_label": "nTZDpa", "target_label": "SAR-245408", "cosine_similarity": 0.3108588755130768 } }, { "source": "CID:4673492", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208902", "properties": { "id": "ZD-7155-ramelteon similarity", "source_label": "ZD-7155", "target_label": "ramelteon", "cosine_similarity": 0.2660462260246277 } }, { "source": "CID:4670", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707418", "properties": { "id": "PACOCF3-celastrol similarity", "source_label": "PACOCF3", "target_label": "celastrol", "cosine_similarity": 0.1680196523666381 } }, { "source": "CID:6603897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "L-750667-PK-11195 similarity", "source_label": "L-750667", "target_label": "PK-11195", "cosine_similarity": 0.2175869941711425 } }, { "source": "CID:6918097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24988881", "properties": { "id": "dexniguldipine-MK-8245 similarity", "source_label": "dexniguldipine", "target_label": "MK-8245", "cosine_similarity": 0.334422618150711 } }, { "source": "CID:5342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "sulfinpyrazone-T-5345967 similarity", "source_label": "sulfinpyrazone", "target_label": "T-5345967", "cosine_similarity": 0.2407479137182235 } }, { "source": "CID:1370", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2146", "properties": { "id": "CX-516-aminoguanidine similarity", "source_label": "CX-516", "target_label": "aminoguanidine", "cosine_similarity": 0.4810046553611755 } }, { "source": "CID:54615594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3585", "properties": { "id": "SA-427730-hemicholinium-3 similarity", "source_label": "SA-427730", "target_label": "hemicholinium-3", "cosine_similarity": 0.2750723958015442 } }, { "source": "CID:9887884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "DMP-543-Y-26763 similarity", "source_label": "DMP-543", "target_label": "Y-26763", "cosine_similarity": 0.2497440576553344 } }, { "source": "CID:45105106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26533", "properties": { "id": "isometheptene-tiletamine similarity", "source_label": "isometheptene", "target_label": "tiletamine", "cosine_similarity": 0.2464516758918762 } }, { "source": "CID:5359371", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "levallorphan-PTB1 similarity", "source_label": "levallorphan", "target_label": "PTB1", "cosine_similarity": 0.2785505354404449 } }, { "source": "CID:4059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3450", "properties": { "id": "mephenesin-gallamine similarity", "source_label": "mephenesin", "target_label": "gallamine", "cosine_similarity": 0.2598605751991272 } }, { "source": "CID:11214940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "erastin-gefitinib similarity", "source_label": "erastin", "target_label": "gefitinib", "cosine_similarity": 0.3270938694477081 } }, { "source": "CID:9860529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "NU-7026-LY-2365109 similarity", "source_label": "NU-7026", "target_label": "LY-2365109", "cosine_similarity": 0.4034245908260345 } }, { "source": "CID:9543540", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16773791", "properties": { "id": "BML-210-BG-1032 similarity", "source_label": "BML-210", "target_label": "BG-1032", "cosine_similarity": 0.6200123429298401 } }, { "source": "CID:10205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73438900", "properties": { "id": "plumbagin-JS-K similarity", "source_label": "plumbagin", "target_label": "JS-K", "cosine_similarity": 0.5302153825759888 } }, { "source": "CID:3442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281750", "properties": { "id": "fusaric-acid-seneciphylline similarity", "source_label": "fusaric-acid", "target_label": "seneciphylline", "cosine_similarity": 0.3272538781166076 } }, { "source": "CID:6421522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2818982", "properties": { "id": "proxyfan-KM-00519SC similarity", "source_label": "proxyfan", "target_label": "KM-00519SC", "cosine_similarity": 0.2357350289821624 } }, { "source": "CID:6603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104845", "properties": { "id": "pempidine-alfaxalone similarity", "source_label": "pempidine", "target_label": "alfaxalone", "cosine_similarity": 0.1626362204551696 } }, { "source": "CID:135565545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46700756", "properties": { "id": "PF-477736-LY-2606368 similarity", "source_label": "PF-477736", "target_label": "LY-2606368", "cosine_similarity": 0.6835189461708069 } }, { "source": "CID:10436840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707429", "properties": { "id": "NH-125-oligomycin-a similarity", "source_label": "NH-125", "target_label": "oligomycin-a", "cosine_similarity": 0.2860028445720672 } }, { "source": "CID:442397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856313", "properties": { "id": "fisetinidol-FU-JMBII127B similarity", "source_label": "fisetinidol", "target_label": "FU-JMBII127B", "cosine_similarity": 0.2138513475656509 } }, { "source": "CID:4567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119828", "properties": { "id": "buphenine-parecoxib similarity", "source_label": "buphenine", "target_label": "parecoxib", "cosine_similarity": 0.2781428098678589 } }, { "source": "CID:8357", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "eudesmic-acid-metacetamol similarity", "source_label": "eudesmic-acid", "target_label": "metacetamol", "cosine_similarity": 0.3448439538478851 } }, { "source": "CID:2674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "cercosporin-I-606061 similarity", "source_label": "cercosporin", "target_label": "I-606061", "cosine_similarity": 0.6345049142837524 } }, { "source": "CID:148192", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "atazanavir-harmine similarity", "source_label": "atazanavir", "target_label": "harmine", "cosine_similarity": 0.2170537859201431 } }, { "source": "CID:44629987", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "brivudine-vortioxetine similarity", "source_label": "brivudine", "target_label": "vortioxetine", "cosine_similarity": 0.4152058064937591 } }, { "source": "CID:5362116", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "delapril-fluconazole similarity", "source_label": "delapril", "target_label": "fluconazole", "cosine_similarity": 0.2759714424610138 } }, { "source": "CID:5702063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "guanaben-acetate-oxiconazole similarity", "source_label": "guanaben-acetate", "target_label": "oxiconazole", "cosine_similarity": 0.5446271300315857 } }, { "source": "CID:12560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "erythromycin-felodipine similarity", "source_label": "erythromycin", "target_label": "felodipine", "cosine_similarity": 0.3606136739253998 } }, { "source": "CID:4296", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54659344", "properties": { "id": "TFMPP-SA-1457415 similarity", "source_label": "TFMPP", "target_label": "SA-1457415", "cosine_similarity": 0.2239192724227905 } }, { "source": "CID:4748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449459", "properties": { "id": "perphenazine-tamoxifen similarity", "source_label": "perphenazine", "target_label": "tamoxifen", "cosine_similarity": 0.6531467437744141 } }, { "source": "CID:47099517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492098", "properties": { "id": "ARG-CSC-18-SA-427543 similarity", "source_label": "ARG-CSC-18", "target_label": "SA-427543", "cosine_similarity": 0.2992194890975952 } }, { "source": "CID:4761", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "pheniramine-ASN-05257430 similarity", "source_label": "pheniramine", "target_label": "ASN-05257430", "cosine_similarity": 0.26594078540802 } }, { "source": "CID:24737642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46940575", "properties": { "id": "LCL-161-GDC-0152 similarity", "source_label": "LCL-161", "target_label": "GDC-0152", "cosine_similarity": 0.4115540981292724 } }, { "source": "CID:5537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3074", "properties": { "id": "trequinsin-dilazep similarity", "source_label": "trequinsin", "target_label": "dilazep", "cosine_similarity": 0.2114659398794174 } }, { "source": "CID:11327430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:52912189", "properties": { "id": "NU-7441-I-BET-151 similarity", "source_label": "NU-7441", "target_label": "I-BET-151", "cosine_similarity": 0.4819805920124054 } }, { "source": "CID:44819697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "CAY-10618-KU-C104493 similarity", "source_label": "CAY-10618", "target_label": "KU-C104493", "cosine_similarity": 0.5127385258674622 } }, { "source": "CID:2113511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "T-5345967-dalcetrapib similarity", "source_label": "T-5345967", "target_label": "dalcetrapib", "cosine_similarity": 0.5856847167015076 } }, { "source": "CID:11012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2900", "properties": { "id": "gitoxigenin-cycloheximide similarity", "source_label": "gitoxigenin", "target_label": "cycloheximide", "cosine_similarity": 0.5237576961517334 } }, { "source": "CID:90843500", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2630179", "properties": { "id": "rolitetracycline-EMF-sumo1-12 similarity", "source_label": "rolitetracycline", "target_label": "EMF-sumo1-12", "cosine_similarity": 0.3157340586185455 } }, { "source": "CID:20039", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "dideoxyadenosine-dorzolamide similarity", "source_label": "dideoxyadenosine", "target_label": "dorzolamide", "cosine_similarity": 0.5405793190002441 } }, { "source": "CID:73707537", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24951314", "properties": { "id": "BG-1008-ISOX similarity", "source_label": "BG-1008", "target_label": "ISOX", "cosine_similarity": 0.508476197719574 } }, { "source": "CID:6604780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "ZD-7114-pritelivir similarity", "source_label": "ZD-7114", "target_label": "pritelivir", "cosine_similarity": 0.3113892674446106 } }, { "source": "CID:54656566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SA-1473405-FTI-276 similarity", "source_label": "SA-1473405", "target_label": "FTI-276", "cosine_similarity": 0.4029976725578308 } }, { "source": "CID:4878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "PP-2-PP-110 similarity", "source_label": "PP-2", "target_label": "PP-110", "cosine_similarity": 0.7127458453178406 } }, { "source": "CID:4380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "clorgiline-thalidomide similarity", "source_label": "clorgiline", "target_label": "thalidomide", "cosine_similarity": 0.1829686611890792 } }, { "source": "CID:6215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "fluocinolone-hydrocortisone similarity", "source_label": "fluocinolone", "target_label": "hydrocortisone", "cosine_similarity": 0.3128338158130646 } }, { "source": "CID:5353623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2882", "properties": { "id": "farnesylthioacetic-acid-cromoglicic-acid similarity", "source_label": "farnesylthioacetic-acid", "target_label": "cromoglicic-acid", "cosine_similarity": 0.2649661898612976 } }, { "source": "CID:5723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "zardaverine-dinoprost similarity", "source_label": "zardaverine", "target_label": "dinoprost", "cosine_similarity": 0.4146683514118194 } }, { "source": "CID:154059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4917", "properties": { "id": "solifenacin-succinate-prochlorperazine similarity", "source_label": "solifenacin-succinate", "target_label": "prochlorperazine", "cosine_similarity": 0.2918735444545746 } }, { "source": "CID:10173277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "STA-5326-sertraline similarity", "source_label": "STA-5326", "target_label": "sertraline", "cosine_similarity": 0.6504413485527039 } }, { "source": "CID:4641", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4381125", "properties": { "id": "oxyphenbutazone-K784-3131 similarity", "source_label": "oxyphenbutazone", "target_label": "K784-3131", "cosine_similarity": 0.5365861654281616 } }, { "source": "CID:781301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107807", "properties": { "id": "ML-133-perindopril similarity", "source_label": "ML-133", "target_label": "perindopril", "cosine_similarity": 0.2713550627231598 } }, { "source": "CID:6610350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "SB-203580-TAK-715 similarity", "source_label": "SB-203580", "target_label": "TAK-715", "cosine_similarity": 0.4605413675308227 } }, { "source": "CID:44205240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "baricitinib-GDC-0199 similarity", "source_label": "baricitinib", "target_label": "GDC-0199", "cosine_similarity": 0.4064269661903381 } }, { "source": "CID:8369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:453", "properties": { "id": "larixinic-acid-mannitol similarity", "source_label": "larixinic-acid", "target_label": "mannitol", "cosine_similarity": 0.2811022996902466 } }, { "source": "CID:46697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "isosalsoline-methyl-fasudil similarity", "source_label": "isosalsoline", "target_label": "methyl-fasudil", "cosine_similarity": 0.3064795732498169 } }, { "source": "CID:131536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11561383", "properties": { "id": "fosamprenavir-nesbuvir similarity", "source_label": "fosamprenavir", "target_label": "nesbuvir", "cosine_similarity": 0.2642070651054382 } }, { "source": "CID:73707530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11647372", "properties": { "id": "QL-X-138-ZSTK-474 similarity", "source_label": "QL-X-138", "target_label": "ZSTK-474", "cosine_similarity": 0.6113163232803345 } }, { "source": "CID:439504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1054", "properties": { "id": "tylosin-pyridoxine similarity", "source_label": "tylosin", "target_label": "pyridoxine", "cosine_similarity": 0.1914430260658264 } }, { "source": "CID:6623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707525", "properties": { "id": "bisphenol-a-COL-3 similarity", "source_label": "bisphenol-a", "target_label": "COL-3", "cosine_similarity": 0.3560259342193603 } }, { "source": "CID:3280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "ethaverine-PI-828 similarity", "source_label": "ethaverine", "target_label": "PI-828", "cosine_similarity": 0.2738163769245147 } }, { "source": "CID:10223146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5701996", "properties": { "id": "JTE-013-isoreserpine similarity", "source_label": "JTE-013", "target_label": "isoreserpine", "cosine_similarity": 0.2427168637514114 } }, { "source": "CID:11595431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "GW-9508-gossypin similarity", "source_label": "GW-9508", "target_label": "gossypin", "cosine_similarity": 0.3681619167327881 } }, { "source": "CID:680501", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "AMG-9810-PAC-1 similarity", "source_label": "AMG-9810", "target_label": "PAC-1", "cosine_similarity": 0.3103753626346588 } }, { "source": "CID:60186845", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184300", "properties": { "id": "SA-1938757-SA-1938867 similarity", "source_label": "SA-1938757", "target_label": "SA-1938867", "cosine_similarity": 0.2977936863899231 } }, { "source": "CID:7791937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707549", "properties": { "id": "BG-1022-BG-1010 similarity", "source_label": "BG-1022", "target_label": "BG-1010", "cosine_similarity": 0.4488844275474548 } }, { "source": "CID:77918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4516886", "properties": { "id": "1-benzylimidazole-GW-1929 similarity", "source_label": "1-benzylimidazole", "target_label": "GW-1929", "cosine_similarity": 0.2732686102390289 } }, { "source": "CID:5288674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288382", "properties": { "id": "alvespimycin-geldanamycin similarity", "source_label": "alvespimycin", "target_label": "geldanamycin", "cosine_similarity": 0.8729522824287415 } }, { "source": "CID:1549120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:164509", "properties": { "id": "epalrestat-talampanel similarity", "source_label": "epalrestat", "target_label": "talampanel", "cosine_similarity": 0.2208253890275955 } }, { "source": "CID:5491955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5865", "properties": { "id": "cefozopran-prednisone similarity", "source_label": "cefozopran", "target_label": "prednisone", "cosine_similarity": 0.2677886486053467 } }, { "source": "CID:3994476", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8609", "properties": { "id": "MM77-phenyl-aminosalicylate similarity", "source_label": "MM77", "target_label": "phenyl-aminosalicylate", "cosine_similarity": 0.6340870261192322 } }, { "source": "CID:5311309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11226090", "properties": { "id": "nateglinide-taranabant similarity", "source_label": "nateglinide", "target_label": "taranabant", "cosine_similarity": 0.5338532328605652 } }, { "source": "CID:54659817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658692", "properties": { "id": "SA-1460032-SA-1458163 similarity", "source_label": "SA-1460032", "target_label": "SA-1458163", "cosine_similarity": 0.2521351277828216 } }, { "source": "CID:44602378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "KU-C104129-alfuzosin similarity", "source_label": "KU-C104129", "target_label": "alfuzosin", "cosine_similarity": 0.2962833940982818 } }, { "source": "CID:1348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "MY-5445-KM-03949SC similarity", "source_label": "MY-5445", "target_label": "KM-03949SC", "cosine_similarity": 0.2697770595550537 } }, { "source": "CID:82755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5153532", "properties": { "id": "hydroxytyrosol-BG-1021 similarity", "source_label": "hydroxytyrosol", "target_label": "BG-1021", "cosine_similarity": 0.1786589324474334 } }, { "source": "CID:10297043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104850", "properties": { "id": "AEE-788-rimonabant similarity", "source_label": "AEE-788", "target_label": "rimonabant", "cosine_similarity": 0.2563565373420715 } }, { "source": "CID:10311918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4784", "properties": { "id": "CTPB-PMSF similarity", "source_label": "CTPB", "target_label": "PMSF", "cosine_similarity": 0.2700268924236297 } }, { "source": "CID:6610337", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710776", "properties": { "id": "dibutyrylcyclic-gmp-nomilin similarity", "source_label": "dibutyrylcyclic-gmp", "target_label": "nomilin", "cosine_similarity": 0.2536521852016449 } }, { "source": "CID:86101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:310557", "properties": { "id": "epidepride-EXO-1 similarity", "source_label": "epidepride", "target_label": "EXO-1", "cosine_similarity": 0.1925681084394455 } }, { "source": "CID:6834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "brompheniramine-BMS-536924 similarity", "source_label": "brompheniramine", "target_label": "BMS-536924", "cosine_similarity": 0.2421799153089523 } }, { "source": "CID:3085416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "ivermectin-sorafenib similarity", "source_label": "ivermectin", "target_label": "sorafenib", "cosine_similarity": 0.507074236869812 } }, { "source": "CID:12387471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "KUC111774N-rhodomyrtoxin-b similarity", "source_label": "KUC111774N", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.4518250524997711 } }, { "source": "CID:5270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:702558", "properties": { "id": "SQ-22536-RG-108 similarity", "source_label": "SQ-22536", "target_label": "RG-108", "cosine_similarity": 0.2824571430683136 } }, { "source": "CID:16760692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "U-0124-gliclazide similarity", "source_label": "U-0124", "target_label": "gliclazide", "cosine_similarity": 0.4110850393772125 } }, { "source": "CID:54746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "cabergoline-diazoxide similarity", "source_label": "cabergoline", "target_label": "diazoxide", "cosine_similarity": 0.5033639073371887 } }, { "source": "CID:162834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667484", "properties": { "id": "fenobam-etomidate similarity", "source_label": "fenobam", "target_label": "etomidate", "cosine_similarity": 0.3269066512584686 } }, { "source": "CID:444795", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1714884", "properties": { "id": "tretinoin-AC-55649 similarity", "source_label": "tretinoin", "target_label": "AC-55649", "cosine_similarity": 0.4530493319034576 } }, { "source": "CID:364622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441728", "properties": { "id": "MNITMT-deltaline similarity", "source_label": "MNITMT", "target_label": "deltaline", "cosine_similarity": 0.2216425091028213 } }, { "source": "CID:3058754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "deracoxib-benzbromarone similarity", "source_label": "deracoxib", "target_label": "benzbromarone", "cosine_similarity": 0.2235601246356964 } }, { "source": "CID:210332", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25181195", "properties": { "id": "reversine-PI-828 similarity", "source_label": "reversine", "target_label": "PI-828", "cosine_similarity": 0.4374956786632538 } }, { "source": "CID:104842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42890", "properties": { "id": "SN-38-idarubicin similarity", "source_label": "SN-38", "target_label": "idarubicin", "cosine_similarity": 0.7940440773963928 } }, { "source": "CID:73707440", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16758175", "properties": { "id": "YL-59-acivicin similarity", "source_label": "YL-59", "target_label": "acivicin", "cosine_similarity": 0.2200109958648681 } }, { "source": "CID:4472", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11552757", "properties": { "id": "nialamide-LY-2365109 similarity", "source_label": "nialamide", "target_label": "LY-2365109", "cosine_similarity": 0.2978240251541137 } }, { "source": "CID:11304743", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "riociguat-probucol similarity", "source_label": "riociguat", "target_label": "probucol", "cosine_similarity": 0.4132755696773529 } }, { "source": "CID:40854", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "oxfendazole-methimazole similarity", "source_label": "oxfendazole", "target_label": "methimazole", "cosine_similarity": 0.3042128980159759 } }, { "source": "CID:60663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "mibefradil-BIBU-1361 similarity", "source_label": "mibefradil", "target_label": "BIBU-1361", "cosine_similarity": 0.5095587372779846 } }, { "source": "CID:72301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3936", "properties": { "id": "rotundine-liranaftate similarity", "source_label": "rotundine", "target_label": "liranaftate", "cosine_similarity": 0.5685703754425049 } }, { "source": "CID:5312531", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "mead-acid-Gossypetin similarity", "source_label": "mead-acid", "target_label": "Gossypetin", "cosine_similarity": 0.3008038997650146 } }, { "source": "CID:5281081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "entacapone-alfuzosin similarity", "source_label": "entacapone", "target_label": "alfuzosin", "cosine_similarity": 0.201319545507431 } }, { "source": "CID:17928441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3333", "properties": { "id": "ABT-202-felodipine similarity", "source_label": "ABT-202", "target_label": "felodipine", "cosine_similarity": 0.5223357081413269 } }, { "source": "CID:96946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "lobelanidine-GSK-J2 similarity", "source_label": "lobelanidine", "target_label": "GSK-J2", "cosine_similarity": 0.3265736401081085 } }, { "source": "CID:2725417", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033", "properties": { "id": "RDR-01440SC-diclofenac similarity", "source_label": "RDR-01440SC", "target_label": "diclofenac", "cosine_similarity": 0.2587769329547882 } }, { "source": "CID:766949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "JNK-IN-5A-HMN-214 similarity", "source_label": "JNK-IN-5A", "target_label": "HMN-214", "cosine_similarity": 0.7720994353294373 } }, { "source": "CID:4684627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3335", "properties": { "id": "RWJ-21757-fenbufen similarity", "source_label": "RWJ-21757", "target_label": "fenbufen", "cosine_similarity": 0.2697782218456268 } }, { "source": "CID:2157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "amiodarone-sertraline similarity", "source_label": "amiodarone", "target_label": "sertraline", "cosine_similarity": 0.592761218547821 } }, { "source": "CID:208953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5161", "properties": { "id": "ZK-200775-sasapyrine similarity", "source_label": "ZK-200775", "target_label": "sasapyrine", "cosine_similarity": 0.3451301157474518 } }, { "source": "CID:4673190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "ganglioside-Gossypetin similarity", "source_label": "ganglioside", "target_label": "Gossypetin", "cosine_similarity": 0.3384654223918915 } }, { "source": "CID:2581", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214346", "properties": { "id": "carprofen-BCI-540 similarity", "source_label": "carprofen", "target_label": "BCI-540", "cosine_similarity": 0.3941717147827148 } }, { "source": "CID:46861623", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "AZD-9668-zidovudine similarity", "source_label": "AZD-9668", "target_label": "zidovudine", "cosine_similarity": 0.3680669367313385 } }, { "source": "CID:44640177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483977", "properties": { "id": "KU-C104491-DM-55-3 similarity", "source_label": "KU-C104491", "target_label": "DM-55-3", "cosine_similarity": 0.4461514353752136 } }, { "source": "CID:23948194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46783527", "properties": { "id": "PATI-1-2-3-taurocholic-acid similarity", "source_label": "PATI-1-2-3", "target_label": "taurocholic-acid", "cosine_similarity": 0.2839784026145935 } }, { "source": "CID:442897", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702068", "properties": { "id": "dubinidine-hydrocortisone-acetate similarity", "source_label": "dubinidine", "target_label": "hydrocortisone-acetate", "cosine_similarity": 0.4931499063968658 } }, { "source": "CID:5770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "reserpine-niguldipine similarity", "source_label": "reserpine", "target_label": "niguldipine", "cosine_similarity": 0.3439033329486847 } }, { "source": "CID:753", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2768", "properties": { "id": "glycerol-dichlorodiamine-platinum similarity", "source_label": "glycerol", "target_label": "dichlorodiamine-platinum", "cosine_similarity": 0.4268038868904114 } }, { "source": "CID:4488", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4515", "properties": { "id": "niflumic-acid-NNC-711 similarity", "source_label": "niflumic-acid", "target_label": "NNC-711", "cosine_similarity": 0.2790008783340454 } }, { "source": "CID:9868037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311510", "properties": { "id": "OSI-930-GNF-2 similarity", "source_label": "OSI-930", "target_label": "GNF-2", "cosine_similarity": 0.389350026845932 } }, { "source": "CID:5205", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2333", "properties": { "id": "setiptiline-benzbromarone similarity", "source_label": "setiptiline", "target_label": "benzbromarone", "cosine_similarity": 0.5262030363082886 } }, { "source": "CID:1687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "3-CPMT-flumethasone-pivalate similarity", "source_label": "3-CPMT", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.5998029708862305 } }, { "source": "CID:3162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "doxylamine-dropropizine similarity", "source_label": "doxylamine", "target_label": "dropropizine", "cosine_similarity": 0.3038372993469238 } }, { "source": "CID:5577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47510", "properties": { "id": "trimethobenzamide-lidamidine similarity", "source_label": "trimethobenzamide", "target_label": "lidamidine", "cosine_similarity": 0.2347360998392105 } }, { "source": "CID:11417954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3034010", "properties": { "id": "ADL-5859-orlistat similarity", "source_label": "ADL-5859", "target_label": "orlistat", "cosine_similarity": 0.2725525796413421 } }, { "source": "CID:3032818", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "naproxol-naltrexone similarity", "source_label": "naproxol", "target_label": "naltrexone", "cosine_similarity": 0.2478493899106979 } }, { "source": "CID:656665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "tropisetron-DAC-013 similarity", "source_label": "tropisetron", "target_label": "DAC-013", "cosine_similarity": 0.2894513607025146 } }, { "source": "CID:4493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60785", "properties": { "id": "nilutamide-fananserin similarity", "source_label": "nilutamide", "target_label": "fananserin", "cosine_similarity": 0.2349897474050521 } }, { "source": "CID:24066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121878", "properties": { "id": "zalcitabine-Y-26763 similarity", "source_label": "zalcitabine", "target_label": "Y-26763", "cosine_similarity": 0.3282835781574249 } }, { "source": "CID:54667575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658744", "properties": { "id": "SA-1921599-SA-1455938 similarity", "source_label": "SA-1921599", "target_label": "SA-1455938", "cosine_similarity": 0.3004324734210968 } }, { "source": "CID:20864", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:97807", "properties": { "id": "ST-91-safrolglycol similarity", "source_label": "ST-91", "target_label": "safrolglycol", "cosine_similarity": 0.2849897444248199 } }, { "source": "CID:667601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "tyrphostin-47-gliclazide similarity", "source_label": "tyrphostin-47", "target_label": "gliclazide", "cosine_similarity": 0.2940398752689361 } }, { "source": "CID:46780805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54676038", "properties": { "id": "bimatoprost-dicoumarol similarity", "source_label": "bimatoprost", "target_label": "dicoumarol", "cosine_similarity": 0.2477938383817672 } }, { "source": "CID:5281071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "olopatadine-cefixime similarity", "source_label": "olopatadine", "target_label": "cefixime", "cosine_similarity": 0.2652611434459686 } }, { "source": "CID:67135703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "KIN001-260-VX-745 similarity", "source_label": "KIN001-260", "target_label": "VX-745", "cosine_similarity": 0.4626743197441101 } }, { "source": "CID:395754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "FTI-276-phenothiazine similarity", "source_label": "FTI-276", "target_label": "phenothiazine", "cosine_similarity": 0.5423873066902161 } }, { "source": "CID:4684627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441594", "properties": { "id": "RWJ-21757-hippeastrine similarity", "source_label": "RWJ-21757", "target_label": "hippeastrine", "cosine_similarity": 0.2771046757698059 } }, { "source": "CID:49831257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:90241673", "properties": { "id": "filgotinib-EPZ-015666 similarity", "source_label": "filgotinib", "target_label": "EPZ-015666", "cosine_similarity": 0.3609053194522857 } }, { "source": "CID:5351542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9892554", "properties": { "id": "morphothebaine-EMD-84 similarity", "source_label": "morphothebaine", "target_label": "EMD-84", "cosine_similarity": 0.3056984543800354 } }, { "source": "CID:2820118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1560402", "properties": { "id": "KM-03439-SMER-28 similarity", "source_label": "KM-03439", "target_label": "SMER-28", "cosine_similarity": 0.2775678634643554 } }, { "source": "CID:1720", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311346", "properties": { "id": "CS-1657-PD-128907 similarity", "source_label": "CS-1657", "target_label": "PD-128907", "cosine_similarity": 0.2625735998153686 } }, { "source": "CID:11612883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "PF-573228-MEK-162 similarity", "source_label": "PF-573228", "target_label": "MEK-162", "cosine_similarity": 0.371996134519577 } }, { "source": "CID:3672", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11691726", "properties": { "id": "ibuprofen-balapiravir similarity", "source_label": "ibuprofen", "target_label": "balapiravir", "cosine_similarity": 0.3729467093944549 } }, { "source": "CID:44246715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4038180", "properties": { "id": "metacycline-A-61603 similarity", "source_label": "metacycline", "target_label": "A-61603", "cosine_similarity": 0.2784071862697601 } }, { "source": "CID:5702036", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483298", "properties": { "id": "dexamethasone-acetate-methylprednisolone similarity", "source_label": "dexamethasone-acetate", "target_label": "methylprednisolone", "cosine_similarity": 0.6454840302467346 } }, { "source": "CID:25267262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797577", "properties": { "id": "E-7449-SRPIN-340 similarity", "source_label": "E-7449", "target_label": "SRPIN-340", "cosine_similarity": 0.3924300968647003 } }, { "source": "CID:896331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "ARG-CSC-22-CGS-21680 similarity", "source_label": "ARG-CSC-22", "target_label": "CGS-21680", "cosine_similarity": 0.3253654837608337 } }, { "source": "CID:11984561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16734800", "properties": { "id": "TH-302-LXR-623 similarity", "source_label": "TH-302", "target_label": "LXR-623", "cosine_similarity": 0.3022755086421966 } }, { "source": "CID:2018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "actarit-AZD-7687 similarity", "source_label": "actarit", "target_label": "AZD-7687", "cosine_similarity": 0.6478737592697144 } }, { "source": "CID:13109", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "levonorgestrel-lenalidomide similarity", "source_label": "levonorgestrel", "target_label": "lenalidomide", "cosine_similarity": 0.3989219963550567 } }, { "source": "CID:9936746", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "OTX-015-XMD-1150 similarity", "source_label": "OTX-015", "target_label": "XMD-1150", "cosine_similarity": 0.6914514303207397 } }, { "source": "CID:5353962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3994476", "properties": { "id": "ST-638-MM77 similarity", "source_label": "ST-638", "target_label": "MM77", "cosine_similarity": 0.2358858734369278 } }, { "source": "CID:5002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4497", "properties": { "id": "quetiapine-nimodipine similarity", "source_label": "quetiapine", "target_label": "nimodipine", "cosine_similarity": 0.4004097282886505 } }, { "source": "CID:4463", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123630", "properties": { "id": "nevirapine-tazobactam similarity", "source_label": "nevirapine", "target_label": "tazobactam", "cosine_similarity": 0.5066252946853638 } }, { "source": "CID:5146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1359", "properties": { "id": "salicyl-alcohol-TRIM similarity", "source_label": "salicyl-alcohol", "target_label": "TRIM", "cosine_similarity": 0.4796228110790252 } }, { "source": "CID:53315882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "UNC-0646-sildenafil similarity", "source_label": "UNC-0646", "target_label": "sildenafil", "cosine_similarity": 0.1453574746847152 } }, { "source": "CID:5475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6024", "properties": { "id": "tilorone-cephalothin similarity", "source_label": "tilorone", "target_label": "cephalothin", "cosine_similarity": 0.3416025340557098 } }, { "source": "CID:2690", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "CGS-15943-SA-792709 similarity", "source_label": "CGS-15943", "target_label": "SA-792709", "cosine_similarity": 0.5046883821487427 } }, { "source": "CID:4084010", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419755", "properties": { "id": "EMF-sumo1-1-PKCbeta-inhibitor similarity", "source_label": "EMF-sumo1-1", "target_label": "PKCbeta-inhibitor", "cosine_similarity": 0.2696546614170074 } }, { "source": "CID:25267262", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15984937", "properties": { "id": "E-7449-camicinal similarity", "source_label": "E-7449", "target_label": "camicinal", "cosine_similarity": 0.3777831494808197 } }, { "source": "CID:4976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "protriptyline-sertraline similarity", "source_label": "protriptyline", "target_label": "sertraline", "cosine_similarity": 0.4294670224189758 } }, { "source": "CID:6918324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "tonabersat-cholic-acid similarity", "source_label": "tonabersat", "target_label": "cholic-acid", "cosine_similarity": 0.4116640090942383 } }, { "source": "CID:11676786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "AZ-628-selumetinib similarity", "source_label": "AZ-628", "target_label": "selumetinib", "cosine_similarity": 0.8131348490715027 } }, { "source": "CID:11707110", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918454", "properties": { "id": "trametinib-PD-184352 similarity", "source_label": "trametinib", "target_label": "PD-184352", "cosine_similarity": 0.8066415786743164 } }, { "source": "CID:73707405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "CT-200783-cerulenin similarity", "source_label": "CT-200783", "target_label": "cerulenin", "cosine_similarity": 0.7726825475692749 } }, { "source": "CID:44483817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "SA-102096-NU-1025 similarity", "source_label": "SA-102096", "target_label": "NU-1025", "cosine_similarity": 0.3042486310005188 } }, { "source": "CID:5467485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "AG-592-heliomycin similarity", "source_label": "AG-592", "target_label": "heliomycin", "cosine_similarity": 0.6996776461601257 } }, { "source": "CID:10330240", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "VUF-5681-phenothiazine similarity", "source_label": "VUF-5681", "target_label": "phenothiazine", "cosine_similarity": 0.3397402763366699 } }, { "source": "CID:441276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129009963", "properties": { "id": "paclitaxel-cabazitaxel similarity", "source_label": "paclitaxel", "target_label": "cabazitaxel", "cosine_similarity": 0.8746248483657837 } }, { "source": "CID:5281607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "chrysin-diphenylpyraline similarity", "source_label": "chrysin", "target_label": "diphenylpyraline", "cosine_similarity": 0.4713515639305115 } }, { "source": "CID:445070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931004", "properties": { "id": "farnesol-danoprevir similarity", "source_label": "farnesol", "target_label": "danoprevir", "cosine_similarity": 0.2939737737178802 } }, { "source": "CID:5329102", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "sunitinib-neratinib similarity", "source_label": "sunitinib", "target_label": "neratinib", "cosine_similarity": 0.5738803744316101 } }, { "source": "CID:2536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4615", "properties": { "id": "camostat-mesilate-oxatomide similarity", "source_label": "camostat-mesilate", "target_label": "oxatomide", "cosine_similarity": 0.4035862982273102 } }, { "source": "CID:38258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5094", "properties": { "id": "imidazolidinyl-urea-ronidazole similarity", "source_label": "imidazolidinyl-urea", "target_label": "ronidazole", "cosine_similarity": 0.1994274854660034 } }, { "source": "CID:5281222", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4183496", "properties": { "id": "butein-EMF-bca1-16 similarity", "source_label": "butein", "target_label": "EMF-bca1-16", "cosine_similarity": 0.6682435274124146 } }, { "source": "CID:44369694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "BNTX-puromycin similarity", "source_label": "BNTX", "target_label": "puromycin", "cosine_similarity": 0.7424527406692505 } }, { "source": "CID:2893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2895", "properties": { "id": "cyclandelate-cyclobenzaprine similarity", "source_label": "cyclandelate", "target_label": "cyclobenzaprine", "cosine_similarity": 0.1969067156314849 } }, { "source": "CID:193962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "etravirine-dorzolamide similarity", "source_label": "etravirine", "target_label": "dorzolamide", "cosine_similarity": 0.315932959318161 } }, { "source": "CID:3373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:121396", "properties": { "id": "flumazenil-carglumic-acid similarity", "source_label": "flumazenil", "target_label": "carglumic-acid", "cosine_similarity": 0.2330359667539596 } }, { "source": "CID:39468", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9803433", "properties": { "id": "levobunolol-MK-0752 similarity", "source_label": "levobunolol", "target_label": "MK-0752", "cosine_similarity": 0.2683362066745758 } }, { "source": "CID:5212", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "sildenafil-Y-27632 similarity", "source_label": "sildenafil", "target_label": "Y-27632", "cosine_similarity": 0.4309775531291961 } }, { "source": "CID:60703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68071", "properties": { "id": "eliprodil-pinocembrin similarity", "source_label": "eliprodil", "target_label": "pinocembrin", "cosine_similarity": 0.2432965785264969 } }, { "source": "CID:73438900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:460747", "properties": { "id": "JS-K-STK-397047 similarity", "source_label": "JS-K", "target_label": "STK-397047", "cosine_similarity": 0.2715213000774383 } }, { "source": "CID:15625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "TCDD-dioxin-THZ-2-98-01 similarity", "source_label": "TCDD-dioxin", "target_label": "THZ-2-98-01", "cosine_similarity": 0.2404909580945968 } }, { "source": "CID:54659308", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484222", "properties": { "id": "SA-1457169-SA-90024 similarity", "source_label": "SA-1457169", "target_label": "SA-90024", "cosine_similarity": 0.2915059626102447 } }, { "source": "CID:441243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:155815", "properties": { "id": "saquinavir-varespladib similarity", "source_label": "saquinavir", "target_label": "varespladib", "cosine_similarity": 0.2740925848484039 } }, { "source": "CID:2566", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "carbofuran-Gossypetin similarity", "source_label": "carbofuran", "target_label": "Gossypetin", "cosine_similarity": 0.3164970576763153 } }, { "source": "CID:11581936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3559", "properties": { "id": "PF-02545920-haloperidol similarity", "source_label": "PF-02545920", "target_label": "haloperidol", "cosine_similarity": 0.3072258234024048 } }, { "source": "CID:46224413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "PF-03084014-resatorvid similarity", "source_label": "PF-03084014", "target_label": "resatorvid", "cosine_similarity": 0.544953465461731 } }, { "source": "CID:71077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4912", "properties": { "id": "D-serine-probucol similarity", "source_label": "D-serine", "target_label": "probucol", "cosine_similarity": 0.4685603082180023 } }, { "source": "CID:753704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "SKI-II-AG-592 similarity", "source_label": "SKI-II", "target_label": "AG-592", "cosine_similarity": 0.6896800994873047 } }, { "source": "CID:2286", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "BADGE-cerulenin similarity", "source_label": "BADGE", "target_label": "cerulenin", "cosine_similarity": 0.688257098197937 } }, { "source": "CID:54667389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2768", "properties": { "id": "SA-1919345-dichlorodiamine-platinum similarity", "source_label": "SA-1919345", "target_label": "dichlorodiamine-platinum", "cosine_similarity": 0.3030420839786529 } }, { "source": "CID:3011155", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "nelarabine-valsartan similarity", "source_label": "nelarabine", "target_label": "valsartan", "cosine_similarity": 0.3349853456020355 } }, { "source": "CID:46940575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24737642", "properties": { "id": "GDC-0152-LCL-161 similarity", "source_label": "GDC-0152", "target_label": "LCL-161", "cosine_similarity": 0.4115540981292724 } }, { "source": "CID:3718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1986", "properties": { "id": "indoprofen-acetazolamide similarity", "source_label": "indoprofen", "target_label": "acetazolamide", "cosine_similarity": 0.3666408956050873 } }, { "source": "CID:5053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:698112", "properties": { "id": "resmethrin-AEG-3482 similarity", "source_label": "resmethrin", "target_label": "AEG-3482", "cosine_similarity": 0.2144606560468673 } }, { "source": "CID:5511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2955", "properties": { "id": "tolperisone-dapsone similarity", "source_label": "tolperisone", "target_label": "dapsone", "cosine_similarity": 0.2752230763435364 } }, { "source": "CID:2837663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "foliosidine-FTI-276 similarity", "source_label": "foliosidine", "target_label": "FTI-276", "cosine_similarity": 0.2841834127902984 } }, { "source": "CID:41693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9930049", "properties": { "id": "sufentanil-vernakalant similarity", "source_label": "sufentanil", "target_label": "vernakalant", "cosine_similarity": 0.3359697163105011 } }, { "source": "CID:46869940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "VU-0415374-1-dropropizine similarity", "source_label": "VU-0415374-1", "target_label": "dropropizine", "cosine_similarity": 0.2969816625118255 } }, { "source": "CID:5392245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44496365", "properties": { "id": "calycanthine-SA-243929 similarity", "source_label": "calycanthine", "target_label": "SA-243929", "cosine_similarity": 0.2765683233737945 } }, { "source": "CID:3202", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "edrophonium-LFM-A13 similarity", "source_label": "edrophonium", "target_label": "LFM-A13", "cosine_similarity": 0.235250785946846 } }, { "source": "CID:3748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:133621", "properties": { "id": "iproniazid-imiloxan similarity", "source_label": "iproniazid", "target_label": "imiloxan", "cosine_similarity": 0.468184620141983 } }, { "source": "CID:3005573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "toremifene-raloxifene similarity", "source_label": "toremifene", "target_label": "raloxifene", "cosine_similarity": 0.4558160603046417 } }, { "source": "CID:135925692", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46931004", "properties": { "id": "propylpyrazole-danoprevir similarity", "source_label": "propylpyrazole", "target_label": "danoprevir", "cosine_similarity": 0.2304837703704834 } }, { "source": "CID:441336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "mometasone-budesonide similarity", "source_label": "mometasone", "target_label": "budesonide", "cosine_similarity": 0.4068026840686798 } }, { "source": "CID:9932888", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "lestaurtinib-PP-110 similarity", "source_label": "lestaurtinib", "target_label": "PP-110", "cosine_similarity": 0.3880554735660553 } }, { "source": "CID:2170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "amoxapine-S-18986 similarity", "source_label": "amoxapine", "target_label": "S-18986", "cosine_similarity": 0.4916556775569916 } }, { "source": "CID:2170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "amoxapine-vortioxetine similarity", "source_label": "amoxapine", "target_label": "vortioxetine", "cosine_similarity": 0.4652182459831238 } }, { "source": "CID:32170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "articaine-lenalidomide similarity", "source_label": "articaine", "target_label": "lenalidomide", "cosine_similarity": 0.3331887722015381 } }, { "source": "CID:46912230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "SB-2343-AZD-8055 similarity", "source_label": "SB-2343", "target_label": "AZD-8055", "cosine_similarity": 0.7034663558006287 } }, { "source": "CID:6399253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2145", "properties": { "id": "cefdinir-aminoglutethimide similarity", "source_label": "cefdinir", "target_label": "aminoglutethimide", "cosine_similarity": 0.3593044877052307 } }, { "source": "CID:5282230", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311221", "properties": { "id": "tranilast-latanoprost similarity", "source_label": "tranilast", "target_label": "latanoprost", "cosine_similarity": 0.3603030443191528 } }, { "source": "CID:5283454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "oleoylethanolamide-paraxanthine similarity", "source_label": "oleoylethanolamide", "target_label": "paraxanthine", "cosine_similarity": 0.3145693838596344 } }, { "source": "CID:4644", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "oxypurinol-topotecan similarity", "source_label": "oxypurinol", "target_label": "topotecan", "cosine_similarity": 0.341458648443222 } }, { "source": "CID:22049997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53001", "properties": { "id": "PH-797804-dazoxiben similarity", "source_label": "PH-797804", "target_label": "dazoxiben", "cosine_similarity": 0.3302518129348755 } }, { "source": "CID:5269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "splitomycin-tirasemtiv similarity", "source_label": "splitomycin", "target_label": "tirasemtiv", "cosine_similarity": 0.2739601731300354 } }, { "source": "CID:6610261", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6605258", "properties": { "id": "L-744832-CGK-733 similarity", "source_label": "L-744832", "target_label": "CGK-733", "cosine_similarity": 0.2184906601905822 } }, { "source": "CID:1505783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "STK-661558-rottlerin similarity", "source_label": "STK-661558", "target_label": "rottlerin", "cosine_similarity": 0.3330774307250976 } }, { "source": "CID:122718", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9849616", "properties": { "id": "usnic-acid-SR-147778 similarity", "source_label": "usnic-acid", "target_label": "SR-147778", "cosine_similarity": 0.2166758328676223 } }, { "source": "CID:5681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667012", "properties": { "id": "W-7-SA-1920327 similarity", "source_label": "W-7", "target_label": "SA-1920327", "cosine_similarity": 0.2329515069723129 } }, { "source": "CID:3545", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9796068", "properties": { "id": "C-1-iniparib similarity", "source_label": "C-1", "target_label": "iniparib", "cosine_similarity": 0.3800301849842071 } }, { "source": "CID:54666572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:872445", "properties": { "id": "SA-1921617-oncrasin-1 similarity", "source_label": "SA-1921617", "target_label": "oncrasin-1", "cosine_similarity": 0.2194237560033798 } }, { "source": "CID:3516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24856224", "properties": { "id": "guaifenesin-FU-JMBII113B similarity", "source_label": "guaifenesin", "target_label": "FU-JMBII113B", "cosine_similarity": 0.2354171872138977 } }, { "source": "CID:71354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "bindarit-pritelivir similarity", "source_label": "bindarit", "target_label": "pritelivir", "cosine_similarity": 0.3394998013973236 } }, { "source": "CID:44492693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24963252", "properties": { "id": "SA-84869-TAK-733 similarity", "source_label": "SA-84869", "target_label": "TAK-733", "cosine_similarity": 0.2457661628723144 } }, { "source": "CID:10050129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "demeclocycline-dexloxiglumide similarity", "source_label": "demeclocycline", "target_label": "dexloxiglumide", "cosine_similarity": 0.3538572788238525 } }, { "source": "CID:54666568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5901", "properties": { "id": "SA-1919584-azauridine similarity", "source_label": "SA-1919584", "target_label": "azauridine", "cosine_similarity": 0.2731512486934662 } }, { "source": "CID:4237309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "L-701252-Gossypetin similarity", "source_label": "L-701252", "target_label": "Gossypetin", "cosine_similarity": 0.2159431874752044 } }, { "source": "CID:5576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245473", "properties": { "id": "trimethadione-TUL-XXI039 similarity", "source_label": "trimethadione", "target_label": "TUL-XXI039", "cosine_similarity": 0.2514695227146148 } }, { "source": "CID:11219195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16741", "properties": { "id": "KU-C103658-phenethyl-isothiocyanate similarity", "source_label": "KU-C103658", "target_label": "phenethyl-isothiocyanate", "cosine_similarity": 0.2556822299957275 } }, { "source": "CID:135398737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "clozapine-tipiracil similarity", "source_label": "clozapine", "target_label": "tipiracil", "cosine_similarity": 0.504555344581604 } }, { "source": "CID:2733768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "taurodeoxycholic-acid-zebularine similarity", "source_label": "taurodeoxycholic-acid", "target_label": "zebularine", "cosine_similarity": 0.3019241094589233 } }, { "source": "CID:439654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "scoulerine-ABT-751 similarity", "source_label": "scoulerine", "target_label": "ABT-751", "cosine_similarity": 0.3008856177330017 } }, { "source": "CID:3048", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72199292", "properties": { "id": "dieldrin-ETP-46464 similarity", "source_label": "dieldrin", "target_label": "ETP-46464", "cosine_similarity": 0.2370764911174774 } }, { "source": "CID:127861", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "BMY-45778-KU-C104337 similarity", "source_label": "BMY-45778", "target_label": "KU-C104337", "cosine_similarity": 0.5009832382202148 } }, { "source": "CID:2816236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "HTS-12264SC-azacitidine similarity", "source_label": "HTS-12264SC", "target_label": "azacitidine", "cosine_similarity": 0.3004698157310486 } }, { "source": "CID:11296583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31703", "properties": { "id": "pirarubicin-doxorubicin similarity", "source_label": "pirarubicin", "target_label": "doxorubicin", "cosine_similarity": 0.7071553468704224 } }, { "source": "CID:5312137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12385463", "properties": { "id": "SU-6656-KU-C103670 similarity", "source_label": "SU-6656", "target_label": "KU-C103670", "cosine_similarity": 0.2320524305105209 } }, { "source": "CID:65599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3568", "properties": { "id": "lomifylline-EI-273 similarity", "source_label": "lomifylline", "target_label": "EI-273", "cosine_similarity": 0.344911128282547 } }, { "source": "CID:10436840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1383884", "properties": { "id": "NH-125-URB-597 similarity", "source_label": "NH-125", "target_label": "URB-597", "cosine_similarity": 0.2690881788730621 } }, { "source": "CID:60923", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9911463", "properties": { "id": "quiflapon-GW-405833 similarity", "source_label": "quiflapon", "target_label": "GW-405833", "cosine_similarity": 0.4249039888381958 } }, { "source": "CID:91610", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "gliquidone-saxagliptin similarity", "source_label": "gliquidone", "target_label": "saxagliptin", "cosine_similarity": 0.3323884308338165 } }, { "source": "CID:12625909", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "cloxacillin-3-CPMT similarity", "source_label": "cloxacillin", "target_label": "3-CPMT", "cosine_similarity": 0.2986595332622528 } }, { "source": "CID:8433", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:97807", "properties": { "id": "dibenzoylmethane-safrolglycol similarity", "source_label": "dibenzoylmethane", "target_label": "safrolglycol", "cosine_similarity": 0.2892393469810486 } }, { "source": "CID:5071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "rimantadine-dorzolamide similarity", "source_label": "rimantadine", "target_label": "dorzolamide", "cosine_similarity": 0.4141822159290313 } }, { "source": "CID:637542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3401", "properties": { "id": "naringeninic-acid-flutrimazole similarity", "source_label": "naringeninic-acid", "target_label": "flutrimazole", "cosine_similarity": 0.2025597095489502 } }, { "source": "CID:5311047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3002120", "properties": { "id": "cisapride-sulbutiamine similarity", "source_label": "cisapride", "target_label": "sulbutiamine", "cosine_similarity": 0.4229471385478973 } }, { "source": "CID:73707583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280863", "properties": { "id": "PD-149163-kaempferol similarity", "source_label": "PD-149163", "target_label": "kaempferol", "cosine_similarity": 0.2251110821962356 } }, { "source": "CID:4904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4753", "properties": { "id": "pridinol-phenacemide similarity", "source_label": "pridinol", "target_label": "phenacemide", "cosine_similarity": 0.5082751512527466 } }, { "source": "CID:2893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71203", "properties": { "id": "cyclandelate-vinburnine similarity", "source_label": "cyclandelate", "target_label": "vinburnine", "cosine_similarity": 0.1916549801826477 } }, { "source": "CID:6714003", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:97807", "properties": { "id": "cyproterone-safrolglycol similarity", "source_label": "cyproterone", "target_label": "safrolglycol", "cosine_similarity": 0.2190918326377868 } }, { "source": "CID:57363", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "finasteride-linsidomine similarity", "source_label": "finasteride", "target_label": "linsidomine", "cosine_similarity": 0.4886088371276855 } }, { "source": "CID:2208391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72193870", "properties": { "id": "BJM-HSC2-10-QW-BI-011 similarity", "source_label": "BJM-HSC2-10", "target_label": "QW-BI-011", "cosine_similarity": 0.2851252853870392 } }, { "source": "CID:1548942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "capsaicin-saxagliptin similarity", "source_label": "capsaicin", "target_label": "saxagliptin", "cosine_similarity": 0.4187302887439728 } }, { "source": "CID:24737642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836020", "properties": { "id": "LCL-161-birinapant similarity", "source_label": "LCL-161", "target_label": "birinapant", "cosine_similarity": 0.5002356767654419 } }, { "source": "CID:57662985", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311340", "properties": { "id": "BMS-833923-JTC-801 similarity", "source_label": "BMS-833923", "target_label": "JTC-801", "cosine_similarity": 0.324353277683258 } }, { "source": "CID:44483163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483234", "properties": { "id": "endo-IWR-1-terreic-acid similarity", "source_label": "endo-IWR-1", "target_label": "terreic-acid", "cosine_similarity": 0.4293551743030548 } }, { "source": "CID:3965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "loxoprofen-cholic-acid similarity", "source_label": "loxoprofen", "target_label": "cholic-acid", "cosine_similarity": 0.4252133369445801 } }, { "source": "CID:3397945", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3442", "properties": { "id": "hydrastinine-fusaric-acid similarity", "source_label": "hydrastinine", "target_label": "fusaric-acid", "cosine_similarity": 0.2789018452167511 } }, { "source": "CID:12801781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "imipenem-ST-059620 similarity", "source_label": "imipenem", "target_label": "ST-059620", "cosine_similarity": 0.2374166548252105 } }, { "source": "CID:2802894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:861", "properties": { "id": "LY-288513-rathyronine similarity", "source_label": "LY-288513", "target_label": "rathyronine", "cosine_similarity": 0.2424680441617965 } }, { "source": "CID:101498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:673465", "properties": { "id": "5-FP-evoxine similarity", "source_label": "5-FP", "target_label": "evoxine", "cosine_similarity": 0.2384300231933593 } }, { "source": "CID:2176", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:91588", "properties": { "id": "ampiroxicam-salsolinol similarity", "source_label": "ampiroxicam", "target_label": "salsolinol", "cosine_similarity": 0.1653509587049484 } }, { "source": "CID:6291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "mestranol-BMS-191011 similarity", "source_label": "mestranol", "target_label": "BMS-191011", "cosine_similarity": 0.4149095714092254 } }, { "source": "CID:54660194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1458902-SA-84905 similarity", "source_label": "SA-1458902", "target_label": "SA-84905", "cosine_similarity": 0.5020189881324768 } }, { "source": "CID:53377408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "MW-STK33-97-TUL_XX087 similarity", "source_label": "MW-STK33-97", "target_label": "TUL_XX087", "cosine_similarity": 0.5444560050964355 } }, { "source": "CID:6605258", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "CGK-733-RAF-265 similarity", "source_label": "CGK-733", "target_label": "RAF-265", "cosine_similarity": 0.5610090494155884 } }, { "source": "CID:6001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60700", "properties": { "id": "DMBA-topotecan similarity", "source_label": "DMBA", "target_label": "topotecan", "cosine_similarity": 0.2631500363349914 } }, { "source": "CID:4633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5385074", "properties": { "id": "oxybuprocaine-kakonein similarity", "source_label": "oxybuprocaine", "target_label": "kakonein", "cosine_similarity": 0.4960597157478332 } }, { "source": "CID:5756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281855", "properties": { "id": "estriol-ellagic-acid similarity", "source_label": "estriol", "target_label": "ellagic-acid", "cosine_similarity": 0.384738951921463 } }, { "source": "CID:9804992", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "givinostat-dacinostat similarity", "source_label": "givinostat", "target_label": "dacinostat", "cosine_similarity": 0.6492559909820557 } }, { "source": "CID:3314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "eugenol-bicalutamide similarity", "source_label": "eugenol", "target_label": "bicalutamide", "cosine_similarity": 0.3906199634075165 } }, { "source": "CID:11717001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24875320", "properties": { "id": "GDC-0879-ALW-II-49-7 similarity", "source_label": "GDC-0879", "target_label": "ALW-II-49-7", "cosine_similarity": 0.3363547623157501 } }, { "source": "CID:3998", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:668081", "properties": { "id": "mafenide-selinidin similarity", "source_label": "mafenide", "target_label": "selinidin", "cosine_similarity": 0.2950166463851928 } }, { "source": "CID:35375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47641", "properties": { "id": "etofenamate-naftifine similarity", "source_label": "etofenamate", "target_label": "naftifine", "cosine_similarity": 0.3329322934150696 } }, { "source": "CID:23844163", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "NK42-I-109-1-myricetin similarity", "source_label": "NK42-I-109-1", "target_label": "myricetin", "cosine_similarity": 0.3695525527000427 } }, { "source": "CID:24360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "camptothecin-SN-38 similarity", "source_label": "camptothecin", "target_label": "SN-38", "cosine_similarity": 0.8717586398124695 } }, { "source": "CID:131682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702031", "properties": { "id": "safinamide-danazol similarity", "source_label": "safinamide", "target_label": "danazol", "cosine_similarity": 0.3866513967514038 } }, { "source": "CID:439620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281707", "properties": { "id": "oxalomalic-acid-coumestrol similarity", "source_label": "oxalomalic-acid", "target_label": "coumestrol", "cosine_similarity": 0.3077112734317779 } }, { "source": "CID:3078519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3386", "properties": { "id": "7-hydroxystaurosporine-fluoxetine similarity", "source_label": "7-hydroxystaurosporine", "target_label": "fluoxetine", "cosine_similarity": 0.320362389087677 } }, { "source": "CID:4098", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "methapyrilene-fumonisin-b1 similarity", "source_label": "methapyrilene", "target_label": "fumonisin-b1", "cosine_similarity": 0.3127477169036865 } }, { "source": "CID:44251485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "VU-0405172-2-dubinidine similarity", "source_label": "VU-0405172-2", "target_label": "dubinidine", "cosine_similarity": 0.4553986191749573 } }, { "source": "CID:5351542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1189521", "properties": { "id": "morphothebaine-MW-MITF9 similarity", "source_label": "morphothebaine", "target_label": "MW-MITF9", "cosine_similarity": 0.3190302550792694 } }, { "source": "CID:5455", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44369694", "properties": { "id": "thiram-BNTX similarity", "source_label": "thiram", "target_label": "BNTX", "cosine_similarity": 0.4500998854637146 } }, { "source": "CID:3342298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92095", "properties": { "id": "CTS-1027-PYM-50028 similarity", "source_label": "CTS-1027", "target_label": "PYM-50028", "cosine_similarity": 0.4660989642143249 } }, { "source": "CID:11654378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "KIN001-269-JNJ-38877605 similarity", "source_label": "KIN001-269", "target_label": "JNJ-38877605", "cosine_similarity": 0.5265305042266846 } }, { "source": "CID:637213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282226", "properties": { "id": "rhapontin-travoprost similarity", "source_label": "rhapontin", "target_label": "travoprost", "cosine_similarity": 0.2932620346546173 } }, { "source": "CID:7029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:636403", "properties": { "id": "amfepramone-carbenoxolone similarity", "source_label": "amfepramone", "target_label": "carbenoxolone", "cosine_similarity": 0.3005411028861999 } }, { "source": "CID:54658744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-1455938-SA-1457188 similarity", "source_label": "SA-1455938", "target_label": "SA-1457188", "cosine_similarity": 0.4663670063018799 } }, { "source": "CID:5284627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "topiramate-gemfibrozil similarity", "source_label": "topiramate", "target_label": "gemfibrozil", "cosine_similarity": 0.5046936869621277 } }, { "source": "CID:44483977", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "DM-55-3-tetrahydrouridine similarity", "source_label": "DM-55-3", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4648138880729675 } }, { "source": "CID:657309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "ipratropium-UNC-1215 similarity", "source_label": "ipratropium", "target_label": "UNC-1215", "cosine_similarity": 0.4149335920810699 } }, { "source": "CID:3219", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "emedastine-cholic-acid similarity", "source_label": "emedastine", "target_label": "cholic-acid", "cosine_similarity": 0.5846886038780212 } }, { "source": "CID:6127", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2566", "properties": { "id": "diphemanil-carbofuran similarity", "source_label": "diphemanil", "target_label": "carbofuran", "cosine_similarity": 0.2803967297077179 } }, { "source": "CID:1549000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "levocetirizine-pritelivir similarity", "source_label": "levocetirizine", "target_label": "pritelivir", "cosine_similarity": 0.4810036420822143 } }, { "source": "CID:5174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:222786", "properties": { "id": "SC-68376-cortisone similarity", "source_label": "SC-68376", "target_label": "cortisone", "cosine_similarity": 0.2744026780128479 } }, { "source": "CID:44137675", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "AZD-6482-PI-103 similarity", "source_label": "AZD-6482", "target_label": "PI-103", "cosine_similarity": 0.6260902285575867 } }, { "source": "CID:3344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "fenspiride-butylated-hydroxytoluene similarity", "source_label": "fenspiride", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.2442366778850555 } }, { "source": "CID:4515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2762", "properties": { "id": "NNC-711-cinoxacin similarity", "source_label": "NNC-711", "target_label": "cinoxacin", "cosine_similarity": 0.3355891108512878 } }, { "source": "CID:193949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2853753", "properties": { "id": "SDZ-21009-CCT-031374 similarity", "source_label": "SDZ-21009", "target_label": "CCT-031374", "cosine_similarity": 0.4899951815605163 } }, { "source": "CID:24996872", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "GSK-1292263-anecortave-acetate similarity", "source_label": "GSK-1292263", "target_label": "anecortave-acetate", "cosine_similarity": 0.334634006023407 } }, { "source": "CID:68085", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "dictamnine-PJ-34 similarity", "source_label": "dictamnine", "target_label": "PJ-34", "cosine_similarity": 0.3546699285507202 } }, { "source": "CID:2478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "busulfan-lorazepam similarity", "source_label": "busulfan", "target_label": "lorazepam", "cosine_similarity": 0.3653942346572876 } }, { "source": "CID:17756796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73078", "properties": { "id": "BIBU-1361-tetrandrine similarity", "source_label": "BIBU-1361", "target_label": "tetrandrine", "cosine_similarity": 0.6606071591377258 } }, { "source": "CID:45489398", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281847", "properties": { "id": "VU-0415533-1-rottlerin similarity", "source_label": "VU-0415533-1", "target_label": "rottlerin", "cosine_similarity": 0.2803173959255218 } }, { "source": "CID:13019152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108143", "properties": { "id": "isosorbide-tamibarotene similarity", "source_label": "isosorbide", "target_label": "tamibarotene", "cosine_similarity": 0.2180601060390472 } }, { "source": "CID:4891", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "praziquantel-rutin similarity", "source_label": "praziquantel", "target_label": "rutin", "cosine_similarity": 0.343505710363388 } }, { "source": "CID:11998575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "palomid-529-PF-03084014 similarity", "source_label": "palomid-529", "target_label": "PF-03084014", "cosine_similarity": 0.4490991234779358 } }, { "source": "CID:33572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "ritodrine-lorazepam similarity", "source_label": "ritodrine", "target_label": "lorazepam", "cosine_similarity": 0.3282674551010132 } }, { "source": "CID:4989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:82148", "properties": { "id": "pyrantel-agomelatine similarity", "source_label": "pyrantel", "target_label": "agomelatine", "cosine_similarity": 0.196283221244812 } }, { "source": "CID:5280450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918540", "properties": { "id": "linoleic-acid-dalcetrapib similarity", "source_label": "linoleic-acid", "target_label": "dalcetrapib", "cosine_similarity": 0.4358966946601867 } }, { "source": "CID:16739244", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "lersivirine-LY-215490 similarity", "source_label": "lersivirine", "target_label": "LY-215490", "cosine_similarity": 0.5470309257507324 } }, { "source": "CID:135398745", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "olanzapine-saxagliptin similarity", "source_label": "olanzapine", "target_label": "saxagliptin", "cosine_similarity": 0.3622050285339355 } }, { "source": "CID:65664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "artesunate-RAF-265 similarity", "source_label": "artesunate", "target_label": "RAF-265", "cosine_similarity": 0.4764570295810699 } }, { "source": "CID:5665", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5362", "properties": { "id": "vigabatrin-suxibuzone similarity", "source_label": "vigabatrin", "target_label": "suxibuzone", "cosine_similarity": 0.184579536318779 } }, { "source": "CID:5369129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "kavain-T-5345967 similarity", "source_label": "kavain", "target_label": "T-5345967", "cosine_similarity": 0.3232181966304779 } }, { "source": "CID:5358", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284514", "properties": { "id": "sumatriptan-acrivastine similarity", "source_label": "sumatriptan", "target_label": "acrivastine", "cosine_similarity": 0.4781575202941894 } }, { "source": "CID:5280704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2802", "properties": { "id": "cosmosiin-clonazepam similarity", "source_label": "cosmosiin", "target_label": "clonazepam", "cosine_similarity": 0.3014550507068634 } }, { "source": "CID:54892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "quinapril-dideoxyadenosine similarity", "source_label": "quinapril", "target_label": "dideoxyadenosine", "cosine_similarity": 0.4138679802417755 } }, { "source": "CID:16129704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24857885", "properties": { "id": "bivalirudin-PTB1 similarity", "source_label": "bivalirudin", "target_label": "PTB1", "cosine_similarity": 0.2184014767408371 } }, { "source": "CID:5353853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:219078", "properties": { "id": "oxiconazole-lacosamide similarity", "source_label": "oxiconazole", "target_label": "lacosamide", "cosine_similarity": 0.4828334152698517 } }, { "source": "CID:5311221", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284566", "properties": { "id": "latanoprost-granisetron similarity", "source_label": "latanoprost", "target_label": "granisetron", "cosine_similarity": 0.4800664186477661 } }, { "source": "CID:11292680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742345", "properties": { "id": "ARP-101-VU-0418939-2 similarity", "source_label": "ARP-101", "target_label": "VU-0418939-2", "cosine_similarity": 0.5029131174087524 } }, { "source": "CID:8029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:243", "properties": { "id": "furan-benzoic-acid similarity", "source_label": "furan", "target_label": "benzoic-acid", "cosine_similarity": 0.2781437039375305 } }, { "source": "CID:73707429", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3330", "properties": { "id": "oligomycin-a-FCCP similarity", "source_label": "oligomycin-a", "target_label": "FCCP", "cosine_similarity": 0.483966201543808 } }, { "source": "CID:54660558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488857", "properties": { "id": "SA-1456625-SA-84905 similarity", "source_label": "SA-1456625", "target_label": "SA-84905", "cosine_similarity": 0.4750928878784179 } }, { "source": "CID:72734382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4261", "properties": { "id": "HDAC3-selective-entinostat similarity", "source_label": "HDAC3-selective", "target_label": "entinostat", "cosine_similarity": 0.4186873733997345 } }, { "source": "CID:44607965", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "AMZ-30-PD-98059 similarity", "source_label": "AMZ-30", "target_label": "PD-98059", "cosine_similarity": 0.1860671490430832 } }, { "source": "CID:62887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3627", "properties": { "id": "atracurium-homochlorcyclizine similarity", "source_label": "atracurium", "target_label": "homochlorcyclizine", "cosine_similarity": 0.2876134216785431 } }, { "source": "CID:667511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:37393", "properties": { "id": "tramadol-halofantrine similarity", "source_label": "tramadol", "target_label": "halofantrine", "cosine_similarity": 0.3801817595958709 } }, { "source": "CID:1392066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54596143", "properties": { "id": "MW-STK33-100-TUL-XX023 similarity", "source_label": "MW-STK33-100", "target_label": "TUL-XX023", "cosine_similarity": 0.708284854888916 } }, { "source": "CID:688800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3611", "properties": { "id": "ST-057710-hinokitiol similarity", "source_label": "ST-057710", "target_label": "hinokitiol", "cosine_similarity": 0.3362412750720978 } }, { "source": "CID:5353431", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483259", "properties": { "id": "BAY-11-7082-manumycin-a similarity", "source_label": "BAY-11-7082", "target_label": "manumycin-a", "cosine_similarity": 0.6500210762023926 } }, { "source": "CID:56959", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:92258", "properties": { "id": "ranolazine-phenylacetylglutamine similarity", "source_label": "ranolazine", "target_label": "phenylacetylglutamine", "cosine_similarity": 0.3340965211391449 } }, { "source": "CID:1088438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "ML-130-NSC-23766 similarity", "source_label": "ML-130", "target_label": "NSC-23766", "cosine_similarity": 0.3066785335540771 } }, { "source": "CID:5360515", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "naltrexone-SA-419090 similarity", "source_label": "naltrexone", "target_label": "SA-419090", "cosine_similarity": 0.3355242013931274 } }, { "source": "CID:6918493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "ambrisentan-ripasudil similarity", "source_label": "ambrisentan", "target_label": "ripasudil", "cosine_similarity": 0.371091365814209 } }, { "source": "CID:3686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918324", "properties": { "id": "idebenone-tonabersat similarity", "source_label": "idebenone", "target_label": "tonabersat", "cosine_similarity": 0.3462416529655456 } }, { "source": "CID:133633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "L-741626-sertraline similarity", "source_label": "L-741626", "target_label": "sertraline", "cosine_similarity": 0.4775831997394562 } }, { "source": "CID:5775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4100", "properties": { "id": "phentolamine-methazolamide similarity", "source_label": "phentolamine", "target_label": "methazolamide", "cosine_similarity": 0.2611538767814636 } }, { "source": "CID:6451164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65681", "properties": { "id": "rilpivirine-isbufylline similarity", "source_label": "rilpivirine", "target_label": "isbufylline", "cosine_similarity": 0.290792852640152 } }, { "source": "CID:56962336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "EPZ-004777-GSK-J2 similarity", "source_label": "EPZ-004777", "target_label": "GSK-J2", "cosine_similarity": 0.3252276182174682 } }, { "source": "CID:6093179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "estropipate-bucladesine similarity", "source_label": "estropipate", "target_label": "bucladesine", "cosine_similarity": 0.3635359108448028 } }, { "source": "CID:656615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "potassium-canrenoate-hypericin similarity", "source_label": "potassium-canrenoate", "target_label": "hypericin", "cosine_similarity": 0.2975777983665466 } }, { "source": "CID:5381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10295295", "properties": { "id": "tazarotene-palovarotene similarity", "source_label": "tazarotene", "target_label": "palovarotene", "cosine_similarity": 0.4056359827518463 } }, { "source": "CID:6839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "phensuximide-gimeracil similarity", "source_label": "phensuximide", "target_label": "gimeracil", "cosine_similarity": 0.4304901957511902 } }, { "source": "CID:108092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9953599", "properties": { "id": "DPPE-GR-159897 similarity", "source_label": "DPPE", "target_label": "GR-159897", "cosine_similarity": 0.233763575553894 } }, { "source": "CID:46943243", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "VU-0424182-2-rolipram similarity", "source_label": "VU-0424182-2", "target_label": "rolipram", "cosine_similarity": 0.2707151174545288 } }, { "source": "CID:10109069", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2564", "properties": { "id": "NS-3694-carbinoxamine similarity", "source_label": "NS-3694", "target_label": "carbinoxamine", "cosine_similarity": 0.2527293860912323 } }, { "source": "CID:65663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "aloxistatin-milrinone similarity", "source_label": "aloxistatin", "target_label": "milrinone", "cosine_similarity": 0.197905421257019 } }, { "source": "CID:28061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "ornidazole-CGS-21680 similarity", "source_label": "ornidazole", "target_label": "CGS-21680", "cosine_similarity": 0.3383497595787048 } }, { "source": "CID:4099413", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3651", "properties": { "id": "SB-366791-hydroxyamphetamine similarity", "source_label": "SB-366791", "target_label": "hydroxyamphetamine", "cosine_similarity": 0.2549566626548767 } }, { "source": "CID:73652146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "ionomycin-I-070759 similarity", "source_label": "ionomycin", "target_label": "I-070759", "cosine_similarity": 0.2802505195140838 } }, { "source": "CID:33572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "ritodrine-losartan similarity", "source_label": "ritodrine", "target_label": "losartan", "cosine_similarity": 0.3571455180644989 } }, { "source": "CID:5073", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "risperidone-fumonisin-b1 similarity", "source_label": "risperidone", "target_label": "fumonisin-b1", "cosine_similarity": 0.4170090556144714 } }, { "source": "CID:9868037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "OSI-930-GW-5074 similarity", "source_label": "OSI-930", "target_label": "GW-5074", "cosine_similarity": 0.3418672382831573 } }, { "source": "CID:338", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5055", "properties": { "id": "salicylic-acid-resorcinol similarity", "source_label": "salicylic-acid", "target_label": "resorcinol", "cosine_similarity": 0.2258501201868057 } }, { "source": "CID:59472121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "VE-822-gemfibrozil similarity", "source_label": "VE-822", "target_label": "gemfibrozil", "cosine_similarity": 0.1380262970924377 } }, { "source": "CID:5281912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "prostaglandin-a1-phenoxazine similarity", "source_label": "prostaglandin-a1", "target_label": "phenoxazine", "cosine_similarity": 0.3792108595371246 } }, { "source": "CID:310557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "EXO-1-KU-C103428N similarity", "source_label": "EXO-1", "target_label": "KU-C103428N", "cosine_similarity": 0.3363592624664306 } }, { "source": "CID:54658498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44506644", "properties": { "id": "SA-1459167-SA-247508 similarity", "source_label": "SA-1459167", "target_label": "SA-247508", "cosine_similarity": 0.4057665765285492 } }, { "source": "CID:44507283", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503242", "properties": { "id": "SA-247592-SA-244587 similarity", "source_label": "SA-247592", "target_label": "SA-244587", "cosine_similarity": 0.2800464630126953 } }, { "source": "CID:448991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20854254", "properties": { "id": "purvalanol-b-KU-C104236N similarity", "source_label": "purvalanol-b", "target_label": "KU-C104236N", "cosine_similarity": 0.2994235455989837 } }, { "source": "CID:16960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8969", "properties": { "id": "dexbrompheniramine-yohimbine similarity", "source_label": "dexbrompheniramine", "target_label": "yohimbine", "cosine_similarity": 0.2779330313205719 } }, { "source": "CID:44497527", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-96805-SA-96816 similarity", "source_label": "SA-96805", "target_label": "SA-96816", "cosine_similarity": 0.5968800783157349 } }, { "source": "CID:2326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "benproperine-lasalocid similarity", "source_label": "benproperine", "target_label": "lasalocid", "cosine_similarity": 0.3482211232185364 } }, { "source": "CID:2457", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "BU-224-dienestrol similarity", "source_label": "BU-224", "target_label": "dienestrol", "cosine_similarity": 0.2878865897655487 } }, { "source": "CID:4628", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5328", "properties": { "id": "oxolinic-acid-sulfamethizole similarity", "source_label": "oxolinic-acid", "target_label": "sulfamethizole", "cosine_similarity": 0.2719671726226806 } }, { "source": "CID:24747274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498587", "properties": { "id": "JAS07-003-SA-425500 similarity", "source_label": "JAS07-003", "target_label": "SA-425500", "cosine_similarity": 0.2424357533454895 } }, { "source": "CID:720272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53245442", "properties": { "id": "ST-012015-TUL-XX025TFA similarity", "source_label": "ST-012015", "target_label": "TUL-XX025TFA", "cosine_similarity": 0.3529394268989563 } }, { "source": "CID:44589607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "7b-cis-pifithrin-mu similarity", "source_label": "7b-cis", "target_label": "pifithrin-mu", "cosine_similarity": 0.7948002815246582 } }, { "source": "CID:37542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4500", "properties": { "id": "ribavirin-nisoxetine similarity", "source_label": "ribavirin", "target_label": "nisoxetine", "cosine_similarity": 0.2648559808731079 } }, { "source": "CID:92095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "PYM-50028-saxagliptin similarity", "source_label": "PYM-50028", "target_label": "saxagliptin", "cosine_similarity": 0.4573303759098053 } }, { "source": "CID:4462449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6077", "properties": { "id": "CAY-10578-acepromazine similarity", "source_label": "CAY-10578", "target_label": "acepromazine", "cosine_similarity": 0.2570395469665527 } }, { "source": "CID:44456237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1345", "properties": { "id": "SID-26681509-PK-11195 similarity", "source_label": "SID-26681509", "target_label": "PK-11195", "cosine_similarity": 0.3707709908485412 } }, { "source": "CID:16720766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867936", "properties": { "id": "MLN-4924-MLN-9708 similarity", "source_label": "MLN-4924", "target_label": "MLN-9708", "cosine_similarity": 0.4899446666240692 } }, { "source": "CID:44503242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-244587-SA-244358 similarity", "source_label": "SA-244587", "target_label": "SA-244358", "cosine_similarity": 0.3559185862541199 } }, { "source": "CID:5311412", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "rimexolone-clobetasol similarity", "source_label": "rimexolone", "target_label": "clobetasol", "cosine_similarity": 0.7399780750274658 } }, { "source": "CID:45006121", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952884", "properties": { "id": "lacitol-voreloxin similarity", "source_label": "lacitol", "target_label": "voreloxin", "cosine_similarity": 0.3298577964305877 } }, { "source": "CID:16123056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "voxtalisib-NVP-BEZ235 similarity", "source_label": "voxtalisib", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6797443628311157 } }, { "source": "CID:53382764", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1459213-SA-96816 similarity", "source_label": "SA-1459213", "target_label": "SA-96816", "cosine_similarity": 0.3609137535095215 } }, { "source": "CID:31549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "anisomycin-narciclasine similarity", "source_label": "anisomycin", "target_label": "narciclasine", "cosine_similarity": 0.8601532578468323 } }, { "source": "CID:4694339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "UB-165-amikacin similarity", "source_label": "UB-165", "target_label": "amikacin", "cosine_similarity": 0.6063889861106873 } }, { "source": "CID:11868768", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3899541", "properties": { "id": "androsterone-DNQX similarity", "source_label": "androsterone", "target_label": "DNQX", "cosine_similarity": 0.1640205532312393 } }, { "source": "CID:9727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9865652", "properties": { "id": "methyltyramine-IDAM similarity", "source_label": "methyltyramine", "target_label": "IDAM", "cosine_similarity": 0.1726253181695938 } }, { "source": "CID:27806705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "oxymetholone-EMF-sumo1-39 similarity", "source_label": "oxymetholone", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.3996841311454773 } }, { "source": "CID:278679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4767", "properties": { "id": "cephalotaxine-phenothrin similarity", "source_label": "cephalotaxine", "target_label": "phenothrin", "cosine_similarity": 0.3671454489231109 } }, { "source": "CID:44483393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "SA-85901-Gly-Gly-PALO similarity", "source_label": "SA-85901", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.3188613653182983 } }, { "source": "CID:5369716", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72376", "properties": { "id": "verrucarin-a-narciclasine similarity", "source_label": "verrucarin-a", "target_label": "narciclasine", "cosine_similarity": 0.7568390965461731 } }, { "source": "CID:5311042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "CGP-55845-gossypin similarity", "source_label": "CGP-55845", "target_label": "gossypin", "cosine_similarity": 0.3082541227340698 } }, { "source": "CID:54669304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680411", "properties": { "id": "SA-1922927-AT1-SHH-29 similarity", "source_label": "SA-1922927", "target_label": "AT1-SHH-29", "cosine_similarity": 0.1973944753408432 } }, { "source": "CID:4246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "monocrotaline-mesoridazine similarity", "source_label": "monocrotaline", "target_label": "mesoridazine", "cosine_similarity": 0.3945976197719574 } }, { "source": "CID:5311276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4477", "properties": { "id": "L-168049-niclosamide similarity", "source_label": "L-168049", "target_label": "niclosamide", "cosine_similarity": 0.3403828144073486 } }, { "source": "CID:5253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9863672", "properties": { "id": "sotalol-ripasudil similarity", "source_label": "sotalol", "target_label": "ripasudil", "cosine_similarity": 0.3562745749950409 } }, { "source": "CID:457193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2019", "properties": { "id": "dactinomycin-actinomycin-d similarity", "source_label": "dactinomycin", "target_label": "actinomycin-d", "cosine_similarity": 0.837687075138092 } }, { "source": "CID:5498067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2474", "properties": { "id": "esculin-bupivacaine similarity", "source_label": "esculin", "target_label": "bupivacaine", "cosine_similarity": 0.2868687212467193 } }, { "source": "CID:872445", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9444", "properties": { "id": "oncrasin-1-azacitidine similarity", "source_label": "oncrasin-1", "target_label": "azacitidine", "cosine_similarity": 0.5711685419082642 } }, { "source": "CID:24785538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "BMS-754807-PP-2 similarity", "source_label": "BMS-754807", "target_label": "PP-2", "cosine_similarity": 0.7093416452407837 } }, { "source": "CID:5286534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24086306", "properties": { "id": "STOCK1S-03920-I-070759 similarity", "source_label": "STOCK1S-03920", "target_label": "I-070759", "cosine_similarity": 0.416716068983078 } }, { "source": "CID:5392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2264", "properties": { "id": "temefos-azasetron similarity", "source_label": "temefos", "target_label": "azasetron", "cosine_similarity": 0.2359586507081985 } }, { "source": "CID:16007391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216345", "properties": { "id": "barasertib-HQPA-nutlin-3 similarity", "source_label": "barasertib-HQPA", "target_label": "nutlin-3", "cosine_similarity": 0.4406865239143371 } }, { "source": "CID:3563638", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "L-732138-FTI-276 similarity", "source_label": "L-732138", "target_label": "FTI-276", "cosine_similarity": 0.2813934981822967 } }, { "source": "CID:44493137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "SD-8-005-FTI-276 similarity", "source_label": "SD-8-005", "target_label": "FTI-276", "cosine_similarity": 0.2527278363704681 } }, { "source": "CID:3762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6009", "properties": { "id": "isoetharine-amidopyrine similarity", "source_label": "isoetharine", "target_label": "amidopyrine", "cosine_similarity": 0.4264711141586303 } }, { "source": "CID:5591", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "troglitazone-gemfibrozil similarity", "source_label": "troglitazone", "target_label": "gemfibrozil", "cosine_similarity": 0.3957111239433288 } }, { "source": "CID:4289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "Ro-16-6941-levosulpiride similarity", "source_label": "Ro-16-6941", "target_label": "levosulpiride", "cosine_similarity": 0.3407195210456848 } }, { "source": "CID:46926574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23976270", "properties": { "id": "MW-A1-18-JPR-3-97-17 similarity", "source_label": "MW-A1-18", "target_label": "JPR-3-97-17", "cosine_similarity": 0.2544511258602142 } }, { "source": "CID:168868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3037", "properties": { "id": "methyllidocaine-dichlorophen similarity", "source_label": "methyllidocaine", "target_label": "dichlorophen", "cosine_similarity": 0.2719832062721252 } }, { "source": "CID:4062", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "mepivacaine-dexloxiglumide similarity", "source_label": "mepivacaine", "target_label": "dexloxiglumide", "cosine_similarity": 0.788851261138916 } }, { "source": "CID:11609955", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49855250", "properties": { "id": "resminostat-SB-939 similarity", "source_label": "resminostat", "target_label": "SB-939", "cosine_similarity": 0.7729833722114563 } }, { "source": "CID:9884685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "PI-103-taselisib similarity", "source_label": "PI-103", "target_label": "taselisib", "cosine_similarity": 0.8580648899078369 } }, { "source": "CID:172813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "Gly-Gly-PALO-NU-1025 similarity", "source_label": "Gly-Gly-PALO", "target_label": "NU-1025", "cosine_similarity": 0.5166395306587219 } }, { "source": "CID:9841972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6321411", "properties": { "id": "BRL-37344-cefixime similarity", "source_label": "BRL-37344", "target_label": "cefixime", "cosine_similarity": 0.268321692943573 } }, { "source": "CID:71771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "aceclofenac-dienestrol similarity", "source_label": "aceclofenac", "target_label": "dienestrol", "cosine_similarity": 0.346172034740448 } }, { "source": "CID:10668061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3394", "properties": { "id": "SCH-442416-flurbiprofen similarity", "source_label": "SCH-442416", "target_label": "flurbiprofen", "cosine_similarity": 0.2053335160017013 } }, { "source": "CID:5312145", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2099", "properties": { "id": "Ro-04-6790-alosetron similarity", "source_label": "Ro-04-6790", "target_label": "alosetron", "cosine_similarity": 0.3292199969291687 } }, { "source": "CID:6708703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "deoxyrhapontin-darinaparsin similarity", "source_label": "deoxyrhapontin", "target_label": "darinaparsin", "cosine_similarity": 0.2762666940689087 } }, { "source": "CID:2754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5780", "properties": { "id": "cilostazol-mannitol-D similarity", "source_label": "cilostazol", "target_label": "mannitol-D", "cosine_similarity": 0.4690994918346405 } }, { "source": "CID:20279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702003", "properties": { "id": "cladribine-mitomycin-c similarity", "source_label": "cladribine", "target_label": "mitomycin-c", "cosine_similarity": 0.6323767304420471 } }, { "source": "CID:3579925", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "PHCCC-diazoxide similarity", "source_label": "PHCCC", "target_label": "diazoxide", "cosine_similarity": 0.2510551810264587 } }, { "source": "CID:46209133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "omarigliptin-ICI-162846 similarity", "source_label": "omarigliptin", "target_label": "ICI-162846", "cosine_similarity": 0.2754853069782257 } }, { "source": "CID:9933475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16222096", "properties": { "id": "cediranib-cobimetinib similarity", "source_label": "cediranib", "target_label": "cobimetinib", "cosine_similarity": 0.4950475692749023 } }, { "source": "CID:175805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2712", "properties": { "id": "ropivacaine-chlordiazepoxide similarity", "source_label": "ropivacaine", "target_label": "chlordiazepoxide", "cosine_similarity": 0.2092016339302063 } }, { "source": "CID:5601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "thenoyltrifluoroacetone-AR-A014418 similarity", "source_label": "thenoyltrifluoroacetone", "target_label": "AR-A014418", "cosine_similarity": 0.3063909113407135 } }, { "source": "CID:3688", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4977", "properties": { "id": "IDRA-21-proxyphylline similarity", "source_label": "IDRA-21", "target_label": "proxyphylline", "cosine_similarity": 0.490292489528656 } }, { "source": "CID:73707442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "YL-61-darinaparsin similarity", "source_label": "YL-61", "target_label": "darinaparsin", "cosine_similarity": 0.2547616064548492 } }, { "source": "CID:5754137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "BAM-7-DL-TBOA similarity", "source_label": "BAM-7", "target_label": "DL-TBOA", "cosine_similarity": 0.284797340631485 } }, { "source": "CID:121892", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3448", "properties": { "id": "retigabine-gaboxadol similarity", "source_label": "retigabine", "target_label": "gaboxadol", "cosine_similarity": 0.2491246461868286 } }, { "source": "CID:44483957", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-424936-SA-244358 similarity", "source_label": "SA-424936", "target_label": "SA-244358", "cosine_similarity": 0.2993052005767822 } }, { "source": "CID:54657731", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657711", "properties": { "id": "SA-1458689-SA-1456751 similarity", "source_label": "SA-1458689", "target_label": "SA-1456751", "cosine_similarity": 0.3000541031360626 } }, { "source": "CID:57340671", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11364421", "properties": { "id": "JWE-035-BI-2536 similarity", "source_label": "JWE-035", "target_label": "BI-2536", "cosine_similarity": 0.634361207485199 } }, { "source": "CID:5336", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:175540", "properties": { "id": "sulfapyridine-atenolol similarity", "source_label": "sulfapyridine", "target_label": "atenolol", "cosine_similarity": 0.3213220834732055 } }, { "source": "CID:688798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "ST-059620-gossypin similarity", "source_label": "ST-059620", "target_label": "gossypin", "cosine_similarity": 0.6845257878303528 } }, { "source": "CID:6604887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15443", "properties": { "id": "Ro-25-6981-azaperone similarity", "source_label": "Ro-25-6981", "target_label": "azaperone", "cosine_similarity": 0.2323119491338729 } }, { "source": "CID:156391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4104", "properties": { "id": "naproxen-methimazole similarity", "source_label": "naproxen", "target_label": "methimazole", "cosine_similarity": 0.3839201331138611 } }, { "source": "CID:73707354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1092458", "properties": { "id": "eserine-DAC-013 similarity", "source_label": "eserine", "target_label": "DAC-013", "cosine_similarity": 0.2355484366416931 } }, { "source": "CID:4549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "NPPB-methocarbamol similarity", "source_label": "NPPB", "target_label": "methocarbamol", "cosine_similarity": 0.1972616165876388 } }, { "source": "CID:198693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "CI-966-ICI-162846 similarity", "source_label": "CI-966", "target_label": "ICI-162846", "cosine_similarity": 0.4355611801147461 } }, { "source": "CID:54654232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657141", "properties": { "id": "SA-1463785-SA-1462678 similarity", "source_label": "SA-1463785", "target_label": "SA-1462678", "cosine_similarity": 0.3059852123260498 } }, { "source": "CID:2904", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "cyclopenthiazide-DR-2313 similarity", "source_label": "cyclopenthiazide", "target_label": "DR-2313", "cosine_similarity": 0.2393372803926468 } }, { "source": "CID:73707425", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "guggulsterone-pifithrin-mu similarity", "source_label": "guggulsterone", "target_label": "pifithrin-mu", "cosine_similarity": 0.4991294145584106 } }, { "source": "CID:5478883", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "pepstatin-L-ergothioneine similarity", "source_label": "pepstatin", "target_label": "L-ergothioneine", "cosine_similarity": 0.6290364861488342 } }, { "source": "CID:3366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54668530", "properties": { "id": "flucytosine-SA-1920722 similarity", "source_label": "flucytosine", "target_label": "SA-1920722", "cosine_similarity": 0.2348992973566055 } }, { "source": "CID:52914946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "GSK-2126458-AZD-8055 similarity", "source_label": "GSK-2126458", "target_label": "AZD-8055", "cosine_similarity": 0.6663851737976074 } }, { "source": "CID:4495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5430", "properties": { "id": "nimesulide-tiabendazole similarity", "source_label": "nimesulide", "target_label": "tiabendazole", "cosine_similarity": 0.3777801990509033 } }, { "source": "CID:5614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "tyrphostin-A9-bithionol similarity", "source_label": "tyrphostin-A9", "target_label": "bithionol", "cosine_similarity": 0.7095934152603149 } }, { "source": "CID:23606608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "EMF-sumo1-10-DL-TBOA similarity", "source_label": "EMF-sumo1-10", "target_label": "DL-TBOA", "cosine_similarity": 0.3501679897308349 } }, { "source": "CID:5362129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3958", "properties": { "id": "ramipril-lorazepam similarity", "source_label": "ramipril", "target_label": "lorazepam", "cosine_similarity": 0.2695186734199524 } }, { "source": "CID:49855250", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445533", "properties": { "id": "SB-939-dacinostat similarity", "source_label": "SB-939", "target_label": "dacinostat", "cosine_similarity": 0.8113692998886108 } }, { "source": "CID:71277", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25105715", "properties": { "id": "erythromycin-estolate-CAY-10594 similarity", "source_label": "erythromycin-estolate", "target_label": "CAY-10594", "cosine_similarity": 0.5357838273048401 } }, { "source": "CID:16722836", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46843906", "properties": { "id": "TG-101348-XMD-1150 similarity", "source_label": "TG-101348", "target_label": "XMD-1150", "cosine_similarity": 0.6581850051879883 } }, { "source": "CID:5468216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2984", "properties": { "id": "RG-13022-denbufylline similarity", "source_label": "RG-13022", "target_label": "denbufylline", "cosine_similarity": 0.282341331243515 } }, { "source": "CID:5359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3949", "properties": { "id": "suprofen-lomerizine similarity", "source_label": "suprofen", "target_label": "lomerizine", "cosine_similarity": 0.3258408606052398 } }, { "source": "CID:10201696", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "balicatib-sparfloxacin similarity", "source_label": "balicatib", "target_label": "sparfloxacin", "cosine_similarity": 0.5959616303443909 } }, { "source": "CID:6476406", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "NP-010914-AZD-8055 similarity", "source_label": "NP-010914", "target_label": "AZD-8055", "cosine_similarity": 0.2559634149074554 } }, { "source": "CID:5701996", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353685", "properties": { "id": "isoreserpine-I-OMe-AG-538 similarity", "source_label": "isoreserpine", "target_label": "I-OMe-AG-538", "cosine_similarity": 0.2336266189813614 } }, { "source": "CID:10077130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "voapaxar-GR-127935 similarity", "source_label": "voapaxar", "target_label": "GR-127935", "cosine_similarity": 0.3215274512767792 } }, { "source": "CID:40486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446378", "properties": { "id": "A-23187-thapsigargin similarity", "source_label": "A-23187", "target_label": "thapsigargin", "cosine_similarity": 0.6012713313102722 } }, { "source": "CID:1853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "phenanthridone-CV-1808 similarity", "source_label": "phenanthridone", "target_label": "CV-1808", "cosine_similarity": 0.372522622346878 } }, { "source": "CID:3342390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "K-788-2192-SA-1921456 similarity", "source_label": "K-788-2192", "target_label": "SA-1921456", "cosine_similarity": 0.3026793301105499 } }, { "source": "CID:2390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:689043", "properties": { "id": "AG-490-caffeic-acid similarity", "source_label": "AG-490", "target_label": "caffeic-acid", "cosine_similarity": 0.334431916475296 } }, { "source": "CID:6610353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "staurosporine-triptolide similarity", "source_label": "staurosporine", "target_label": "triptolide", "cosine_similarity": 0.6006342172622681 } }, { "source": "CID:54658498", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658318", "properties": { "id": "SA-1459167-SA-1457188 similarity", "source_label": "SA-1459167", "target_label": "SA-1457188", "cosine_similarity": 0.3651482164859772 } }, { "source": "CID:3735", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:32798", "properties": { "id": "iopanoic-acid-clobetasol similarity", "source_label": "iopanoic-acid", "target_label": "clobetasol", "cosine_similarity": 0.3807136714458465 } }, { "source": "CID:135787369", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19001", "properties": { "id": "BG-1020-dithiothreitol similarity", "source_label": "BG-1020", "target_label": "dithiothreitol", "cosine_similarity": 0.278452068567276 } }, { "source": "CID:441594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "hippeastrine-DL-TBOA similarity", "source_label": "hippeastrine", "target_label": "DL-TBOA", "cosine_similarity": 0.3163996934890747 } }, { "source": "CID:446378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40486", "properties": { "id": "thapsigargin-A-23187 similarity", "source_label": "thapsigargin", "target_label": "A-23187", "cosine_similarity": 0.6012713313102722 } }, { "source": "CID:24889392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11228183", "properties": { "id": "quizartinib-ABT-737 similarity", "source_label": "quizartinib", "target_label": "ABT-737", "cosine_similarity": 0.3774245381355285 } }, { "source": "CID:156419", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24795070", "properties": { "id": "cinacalcet-SGI-1776 similarity", "source_label": "cinacalcet", "target_label": "SGI-1776", "cosine_similarity": 0.2260285168886184 } }, { "source": "CID:68740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446916", "properties": { "id": "zoledronic-acid-MDL-29951 similarity", "source_label": "zoledronic-acid", "target_label": "MDL-29951", "cosine_similarity": 0.2071598321199417 } }, { "source": "CID:170344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19003", "properties": { "id": "etifenin-ciclacillin similarity", "source_label": "etifenin", "target_label": "ciclacillin", "cosine_similarity": 0.3330265879631042 } }, { "source": "CID:442793", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:78357816", "properties": { "id": "gingerol-VT-464 similarity", "source_label": "gingerol", "target_label": "VT-464", "cosine_similarity": 0.2559502422809601 } }, { "source": "CID:73707514", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3883", "properties": { "id": "atractyloside-lansoprazole similarity", "source_label": "atractyloside", "target_label": "lansoprazole", "cosine_similarity": 0.2199751138687133 } }, { "source": "CID:24856313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "FU-JMBII127B-EMF-sumo1-11 similarity", "source_label": "FU-JMBII127B", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.5390181541442871 } }, { "source": "CID:2583", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820633", "properties": { "id": "carteolol-KM-04501 similarity", "source_label": "carteolol", "target_label": "KM-04501", "cosine_similarity": 0.2644310593605041 } }, { "source": "CID:6070589", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3032818", "properties": { "id": "BAS-09104376-naproxol similarity", "source_label": "BAS-09104376", "target_label": "naproxol", "cosine_similarity": 0.1903483420610427 } }, { "source": "CID:5104", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4054", "properties": { "id": "roxarsone-memantine similarity", "source_label": "roxarsone", "target_label": "memantine", "cosine_similarity": 0.1865620017051696 } }, { "source": "CID:3248000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "3'-fluorobenzylspiperone-cyclosporin-a similarity", "source_label": "3'-fluorobenzylspiperone", "target_label": "cyclosporin-a", "cosine_similarity": 0.6807431578636169 } }, { "source": "CID:25021165", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "JZL-184-myriocin similarity", "source_label": "JZL-184", "target_label": "myriocin", "cosine_similarity": 0.4833881855010986 } }, { "source": "CID:45281798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3921152", "properties": { "id": "VU-0365118-1-D-64131 similarity", "source_label": "VU-0365118-1", "target_label": "D-64131", "cosine_similarity": 0.3655637502670288 } }, { "source": "CID:4567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "buphenine-piperacillin similarity", "source_label": "buphenine", "target_label": "piperacillin", "cosine_similarity": 0.2601765692234039 } }, { "source": "CID:2333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "benzbromarone-sparfloxacin similarity", "source_label": "benzbromarone", "target_label": "sparfloxacin", "cosine_similarity": 0.5631167888641357 } }, { "source": "CID:4932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708742", "properties": { "id": "propafenone-inosine similarity", "source_label": "propafenone", "target_label": "inosine", "cosine_similarity": 0.2960798144340515 } }, { "source": "CID:2478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25151504", "properties": { "id": "busulfan-cobicistat similarity", "source_label": "busulfan", "target_label": "cobicistat", "cosine_similarity": 0.3680059611797333 } }, { "source": "CID:193949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:84008", "properties": { "id": "SDZ-21009-FIT similarity", "source_label": "SDZ-21009", "target_label": "FIT", "cosine_similarity": 0.4793619215488434 } }, { "source": "CID:44607587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6334600", "properties": { "id": "KU-C104141-hyoscyamine similarity", "source_label": "KU-C104141", "target_label": "hyoscyamine", "cosine_similarity": 0.3027389049530029 } }, { "source": "CID:13927310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22121918", "properties": { "id": "KUC103423N-TUL_XX087 similarity", "source_label": "KUC103423N", "target_label": "TUL_XX087", "cosine_similarity": 0.2490561455488205 } }, { "source": "CID:24964624", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:69923936", "properties": { "id": "MK-2206-JW-7-24-1 similarity", "source_label": "MK-2206", "target_label": "JW-7-24-1", "cosine_similarity": 0.536669909954071 } }, { "source": "CID:5362129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "ramipril-losartan similarity", "source_label": "ramipril", "target_label": "losartan", "cosine_similarity": 0.2729757130146026 } }, { "source": "CID:49849931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44241483", "properties": { "id": "CAM-9-026-VU-0403126 similarity", "source_label": "CAM-9-026", "target_label": "VU-0403126", "cosine_similarity": 0.2245191037654876 } }, { "source": "CID:23930397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1204", "properties": { "id": "heliotrine-epibatidine similarity", "source_label": "heliotrine", "target_label": "epibatidine", "cosine_similarity": 0.2867716252803802 } }, { "source": "CID:9867642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "laropiprant-lenalidomide similarity", "source_label": "laropiprant", "target_label": "lenalidomide", "cosine_similarity": 0.3143782019615173 } }, { "source": "CID:44616599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "SA-427636-SA-427228 similarity", "source_label": "SA-427636", "target_label": "SA-427228", "cosine_similarity": 0.2632523775100708 } }, { "source": "CID:44486995", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44504326", "properties": { "id": "SA-424764-SA-103013 similarity", "source_label": "SA-424764", "target_label": "SA-103013", "cosine_similarity": 0.2473625838756561 } }, { "source": "CID:60490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3878", "properties": { "id": "zileuton-lamotrigine similarity", "source_label": "zileuton", "target_label": "lamotrigine", "cosine_similarity": 0.4071329236030578 } }, { "source": "CID:24800541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9924495", "properties": { "id": "delanzomib-perampanel similarity", "source_label": "delanzomib", "target_label": "perampanel", "cosine_similarity": 0.493971973657608 } }, { "source": "CID:60825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3965", "properties": { "id": "lamivudine-loxoprofen similarity", "source_label": "lamivudine", "target_label": "loxoprofen", "cosine_similarity": 0.4097104966640472 } }, { "source": "CID:188914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "BD-1047-glutamine similarity", "source_label": "BD-1047", "target_label": "glutamine", "cosine_similarity": 0.2655442059040069 } }, { "source": "CID:135398516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "OSI-027-NVP-BEZ235 similarity", "source_label": "OSI-027", "target_label": "NVP-BEZ235", "cosine_similarity": 0.8352957963943481 } }, { "source": "CID:1889993", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "fatostatin-amisulpride similarity", "source_label": "fatostatin", "target_label": "amisulpride", "cosine_similarity": 0.513094961643219 } }, { "source": "CID:73707438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707390", "properties": { "id": "YL-54-ON-01910 similarity", "source_label": "YL-54", "target_label": "ON-01910", "cosine_similarity": 0.2581773698329925 } }, { "source": "CID:4927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "promethazine-PT-630 similarity", "source_label": "promethazine", "target_label": "PT-630", "cosine_similarity": 0.3138735592365265 } }, { "source": "CID:196841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9953592", "properties": { "id": "FR-122047-naltrindole similarity", "source_label": "FR-122047", "target_label": "naltrindole", "cosine_similarity": 0.2887452244758606 } }, { "source": "CID:14187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "ST-1859-apocynin similarity", "source_label": "ST-1859", "target_label": "apocynin", "cosine_similarity": 0.4303321540355682 } }, { "source": "CID:5290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657716", "properties": { "id": "L-stepholidine-SA-1457472 similarity", "source_label": "L-stepholidine", "target_label": "SA-1457472", "cosine_similarity": 0.2311937510967254 } }, { "source": "CID:4331799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4030", "properties": { "id": "SB-408124-mebendazole similarity", "source_label": "SB-408124", "target_label": "mebendazole", "cosine_similarity": 0.2051708102226257 } }, { "source": "CID:14900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439620", "properties": { "id": "1-monopalmitin-oxalomalic-acid similarity", "source_label": "1-monopalmitin", "target_label": "oxalomalic-acid", "cosine_similarity": 0.299959272146225 } }, { "source": "CID:54654330", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616591", "properties": { "id": "SA-1463814-SA-427069 similarity", "source_label": "SA-1463814", "target_label": "SA-427069", "cosine_similarity": 0.3782041370868683 } }, { "source": "CID:441401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "linezolid-cholic-acid similarity", "source_label": "linezolid", "target_label": "cholic-acid", "cosine_similarity": 0.3618494868278503 } }, { "source": "CID:23975549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891056", "properties": { "id": "I-505056-I-606051 similarity", "source_label": "I-505056", "target_label": "I-606051", "cosine_similarity": 0.7208024859428406 } }, { "source": "CID:3169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10742", "properties": { "id": "dropropizine-syringic-acid similarity", "source_label": "dropropizine", "target_label": "syringic-acid", "cosine_similarity": 0.4715574383735657 } }, { "source": "CID:3135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5701996", "properties": { "id": "SU-4312-isoreserpine similarity", "source_label": "SU-4312", "target_label": "isoreserpine", "cosine_similarity": 0.2277303040027618 } }, { "source": "CID:3767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "isoniazid-pravastatin similarity", "source_label": "isoniazid", "target_label": "pravastatin", "cosine_similarity": 0.3609911799430847 } }, { "source": "CID:40532410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7638", "properties": { "id": "chlormadinone-monobenzone similarity", "source_label": "chlormadinone", "target_label": "monobenzone", "cosine_similarity": 0.2449086606502533 } }, { "source": "CID:44143698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "KU-C103420N-morin similarity", "source_label": "KU-C103420N", "target_label": "morin", "cosine_similarity": 0.2921511530876159 } }, { "source": "CID:12001014", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18343", "properties": { "id": "mirodenafil-doxifluridine similarity", "source_label": "mirodenafil", "target_label": "doxifluridine", "cosine_similarity": 0.3180044293403625 } }, { "source": "CID:5340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708716", "properties": { "id": "sulfathiazole-catechin similarity", "source_label": "sulfathiazole", "target_label": "catechin", "cosine_similarity": 0.3160008490085602 } }, { "source": "CID:5794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5143", "properties": { "id": "piperonyl-butoxide-saccharin similarity", "source_label": "piperonyl-butoxide", "target_label": "saccharin", "cosine_similarity": 0.2535043060779571 } }, { "source": "CID:44489582", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24901704", "properties": { "id": "SA-89210-MGCD-265 similarity", "source_label": "SA-89210", "target_label": "MGCD-265", "cosine_similarity": 0.2612411379814148 } }, { "source": "CID:5286534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "STOCK1S-03920-rhodomyrtoxin-b similarity", "source_label": "STOCK1S-03920", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.3910089135169983 } }, { "source": "CID:54659633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658741", "properties": { "id": "SA-1456220-SA-1459187 similarity", "source_label": "SA-1456220", "target_label": "SA-1459187", "cosine_similarity": 0.3008736371994018 } }, { "source": "CID:23891056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "I-606051-puromycin similarity", "source_label": "I-606051", "target_label": "puromycin", "cosine_similarity": 0.7230432629585266 } }, { "source": "CID:32170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6914657", "properties": { "id": "articaine-FK-866 similarity", "source_label": "articaine", "target_label": "FK-866", "cosine_similarity": 0.2925080060958862 } }, { "source": "CID:44507299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54654428", "properties": { "id": "SA-247636-SA-1472623 similarity", "source_label": "SA-247636", "target_label": "SA-1472623", "cosine_similarity": 0.2992304563522339 } }, { "source": "CID:5269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "splitomycin-flutamide similarity", "source_label": "splitomycin", "target_label": "flutamide", "cosine_similarity": 0.2655389904975891 } }, { "source": "CID:46216796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9840076", "properties": { "id": "pacritinib-AG-14361 similarity", "source_label": "pacritinib", "target_label": "AG-14361", "cosine_similarity": 0.4892003834247589 } }, { "source": "CID:3387354", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10029385", "properties": { "id": "SB-218078-LY-2090314 similarity", "source_label": "SB-218078", "target_label": "LY-2090314", "cosine_similarity": 0.5012214779853821 } }, { "source": "CID:5311037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "istradefylline-mestranol similarity", "source_label": "istradefylline", "target_label": "mestranol", "cosine_similarity": 0.228175863623619 } }, { "source": "CID:2941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "D-609-zolpidem similarity", "source_label": "D-609", "target_label": "zolpidem", "cosine_similarity": 0.3705767691135406 } }, { "source": "CID:6710622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5210", "properties": { "id": "bicuculline-sibutramine similarity", "source_label": "bicuculline", "target_label": "sibutramine", "cosine_similarity": 0.3206780254840851 } }, { "source": "CID:70680405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:70680396", "properties": { "id": "MW-SHH-151-MW-SHH-28 similarity", "source_label": "MW-SHH-151", "target_label": "MW-SHH-28", "cosine_similarity": 0.265897274017334 } }, { "source": "CID:124246", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "iguratimod-CV-1808 similarity", "source_label": "iguratimod", "target_label": "CV-1808", "cosine_similarity": 0.4600294232368469 } }, { "source": "CID:3676", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5324346", "properties": { "id": "lidocaine-fluvoxamine similarity", "source_label": "lidocaine", "target_label": "fluvoxamine", "cosine_similarity": 0.4596551060676574 } }, { "source": "CID:23817954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5511", "properties": { "id": "josamycin-tolperisone similarity", "source_label": "josamycin", "target_label": "tolperisone", "cosine_similarity": 0.2905885875225067 } }, { "source": "CID:9819927", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "LY-341495-FTI-276 similarity", "source_label": "LY-341495", "target_label": "FTI-276", "cosine_similarity": 0.2775937914848327 } }, { "source": "CID:135470813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "MW-STK33-2C-Gossypetin similarity", "source_label": "MW-STK33-2C", "target_label": "Gossypetin", "cosine_similarity": 0.3020540773868561 } }, { "source": "CID:443423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "cromakalim-zebularine similarity", "source_label": "cromakalim", "target_label": "zebularine", "cosine_similarity": 0.2991861402988434 } }, { "source": "CID:51039095", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "AZD-4547-vandetanib similarity", "source_label": "AZD-4547", "target_label": "vandetanib", "cosine_similarity": 0.4190658628940582 } }, { "source": "CID:5166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11667893", "properties": { "id": "SB-239063-motesanib similarity", "source_label": "SB-239063", "target_label": "motesanib", "cosine_similarity": 0.4201644659042358 } }, { "source": "CID:16759997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "cyanopindolol-Gly-Gly-PALO similarity", "source_label": "cyanopindolol", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2483195215463638 } }, { "source": "CID:9872438", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "SSR-69071-CVF-SUMO-11 similarity", "source_label": "SSR-69071", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.6373915672302246 } }, { "source": "CID:9872740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "L-692585-tofacitinib similarity", "source_label": "L-692585", "target_label": "tofacitinib", "cosine_similarity": 0.2864391207695007 } }, { "source": "CID:2119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2442", "properties": { "id": "alprenolol-bromhexine similarity", "source_label": "alprenolol", "target_label": "bromhexine", "cosine_similarity": 0.2256106287240982 } }, { "source": "CID:3854666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:26596", "properties": { "id": "SB-225002-parbendazole similarity", "source_label": "SB-225002", "target_label": "parbendazole", "cosine_similarity": 0.7702349424362183 } }, { "source": "CID:24066", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281051", "properties": { "id": "zalcitabine-hypericin similarity", "source_label": "zalcitabine", "target_label": "hypericin", "cosine_similarity": 0.3228524029254913 } }, { "source": "CID:44623840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "KU-C104227-KU-C104493 similarity", "source_label": "KU-C104227", "target_label": "KU-C104493", "cosine_similarity": 0.3221544325351715 } }, { "source": "CID:194138", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6437068", "properties": { "id": "EHPG-piperazine-enevalproate similarity", "source_label": "EHPG-piperazine", "target_label": "enevalproate", "cosine_similarity": 0.2712774574756622 } }, { "source": "CID:446598", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123619", "properties": { "id": "clindamycin-etoricoxib similarity", "source_label": "clindamycin", "target_label": "etoricoxib", "cosine_similarity": 0.4010350704193115 } }, { "source": "CID:445070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "farnesol-Gly-Gly-PALO similarity", "source_label": "farnesol", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2796680629253387 } }, { "source": "CID:6918736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "rigosertib-vinblastine similarity", "source_label": "rigosertib", "target_label": "vinblastine", "cosine_similarity": 0.7510495185852051 } }, { "source": "CID:16760037", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "calyculin-2-iminobiotin similarity", "source_label": "calyculin", "target_label": "2-iminobiotin", "cosine_similarity": 0.3039543628692627 } }, { "source": "CID:44486991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SA-424577-JAS07-006 similarity", "source_label": "SA-424577", "target_label": "JAS07-006", "cosine_similarity": 0.328301727771759 } }, { "source": "CID:26248", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:439285", "properties": { "id": "diacerein-choline-alfoscerate similarity", "source_label": "diacerein", "target_label": "choline-alfoscerate", "cosine_similarity": 0.3228093981742859 } }, { "source": "CID:44483355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "embelin-GDC-0199 similarity", "source_label": "embelin", "target_label": "GDC-0199", "cosine_similarity": 0.273086279630661 } }, { "source": "CID:2132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:491941", "properties": { "id": "ambroxol-pritelivir similarity", "source_label": "ambroxol", "target_label": "pritelivir", "cosine_similarity": 0.3802359104156494 } }, { "source": "CID:44247542", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10404245", "properties": { "id": "VU-0402604-macelignan similarity", "source_label": "VU-0402604", "target_label": "macelignan", "cosine_similarity": 0.2345370352268219 } }, { "source": "CID:6918324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:59768", "properties": { "id": "tonabersat-esmolol similarity", "source_label": "tonabersat", "target_label": "esmolol", "cosine_similarity": 0.4136767387390136 } }, { "source": "CID:3654103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "BRL-15572-SA-419090 similarity", "source_label": "BRL-15572", "target_label": "SA-419090", "cosine_similarity": 0.2197225391864776 } }, { "source": "CID:23846564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "butirosin-sulfamethoxypyridazine similarity", "source_label": "butirosin", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.2394048869609832 } }, { "source": "CID:44143698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11095", "properties": { "id": "KU-C103420N-eriodictyol similarity", "source_label": "KU-C103420N", "target_label": "eriodictyol", "cosine_similarity": 0.237122043967247 } }, { "source": "CID:27559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "PNU-22394-zebularine similarity", "source_label": "PNU-22394", "target_label": "zebularine", "cosine_similarity": 0.2913532257080078 } }, { "source": "CID:176167", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "enzastaurin-THZ-2-98-01 similarity", "source_label": "enzastaurin", "target_label": "THZ-2-98-01", "cosine_similarity": 0.5637741684913635 } }, { "source": "CID:5430", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280805", "properties": { "id": "tiabendazole-rutin similarity", "source_label": "tiabendazole", "target_label": "rutin", "cosine_similarity": 0.372489869594574 } }, { "source": "CID:188914", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443007", "properties": { "id": "BD-1047-fillalbin similarity", "source_label": "BD-1047", "target_label": "fillalbin", "cosine_similarity": 0.2507100999355316 } }, { "source": "CID:2442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "bromhexine-APO-866 similarity", "source_label": "bromhexine", "target_label": "APO-866", "cosine_similarity": 0.3001543581485748 } }, { "source": "CID:4314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "W-5-phenoxazine similarity", "source_label": "W-5", "target_label": "phenoxazine", "cosine_similarity": 0.3141409456729889 } }, { "source": "CID:3185", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "E-4031-molsidomine similarity", "source_label": "E-4031", "target_label": "molsidomine", "cosine_similarity": 0.3644120097160339 } }, { "source": "CID:6410758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2680", "properties": { "id": "cefatrizine-cetraxate similarity", "source_label": "cefatrizine", "target_label": "cetraxate", "cosine_similarity": 0.3084141314029693 } }, { "source": "CID:133106", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "SIB-1508Y-tetrahydrouridine similarity", "source_label": "SIB-1508Y", "target_label": "tetrahydrouridine", "cosine_similarity": 0.2793757915496826 } }, { "source": "CID:24747188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820118", "properties": { "id": "JAS07-002-KM-03439 similarity", "source_label": "JAS07-002", "target_label": "KM-03439", "cosine_similarity": 0.2366471737623214 } }, { "source": "CID:6914273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60846", "properties": { "id": "dantrolene-valsartan similarity", "source_label": "dantrolene", "target_label": "valsartan", "cosine_similarity": 0.4294743239879608 } }, { "source": "CID:60188101", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "RS-I-002-6-NSC-632839 similarity", "source_label": "RS-I-002-6", "target_label": "NSC-632839", "cosine_similarity": 0.7663983106613159 } }, { "source": "CID:574780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3177", "properties": { "id": "BD-1063-DUP-697 similarity", "source_label": "BD-1063", "target_label": "DUP-697", "cosine_similarity": 0.2765293717384338 } }, { "source": "CID:5251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "sorbic-acid-tetrahydrouridine similarity", "source_label": "sorbic-acid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.385064423084259 } }, { "source": "CID:13505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45259133", "properties": { "id": "diphenoxylate-VU-0415113-1 similarity", "source_label": "diphenoxylate", "target_label": "VU-0415113-1", "cosine_similarity": 0.1738444715738296 } }, { "source": "CID:119376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "GR-113808-gliclazide similarity", "source_label": "GR-113808", "target_label": "gliclazide", "cosine_similarity": 0.4224666953086853 } }, { "source": "CID:12555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4917", "properties": { "id": "benzydamine-prochlorperazine similarity", "source_label": "benzydamine", "target_label": "prochlorperazine", "cosine_similarity": 0.3377391695976257 } }, { "source": "CID:51537051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10294813", "properties": { "id": "LDN-57444-genz-644282 similarity", "source_label": "LDN-57444", "target_label": "genz-644282", "cosine_similarity": 0.4044315218925476 } }, { "source": "CID:9844347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5152", "properties": { "id": "CFM-1571-salmeterol similarity", "source_label": "CFM-1571", "target_label": "salmeterol", "cosine_similarity": 0.3818486034870147 } }, { "source": "CID:442428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:62824", "properties": { "id": "naringin-ICI-63197 similarity", "source_label": "naringin", "target_label": "ICI-63197", "cosine_similarity": 0.3053772449493408 } }, { "source": "CID:11226090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:127894", "properties": { "id": "taranabant-LY-215490 similarity", "source_label": "taranabant", "target_label": "LY-215490", "cosine_similarity": 0.6217954754829407 } }, { "source": "CID:73438898", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707613", "properties": { "id": "CHIR-99021-THZ-2-98-01 similarity", "source_label": "CHIR-99021", "target_label": "THZ-2-98-01", "cosine_similarity": 0.5988873839378357 } }, { "source": "CID:3226", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3198", "properties": { "id": "enflurane-econazole similarity", "source_label": "enflurane", "target_label": "econazole", "cosine_similarity": 0.1852997988462448 } }, { "source": "CID:6610268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "berbamine-terfenadine similarity", "source_label": "berbamine", "target_label": "terfenadine", "cosine_similarity": 0.5739619731903076 } }, { "source": "CID:46780805", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "bimatoprost-mestranol similarity", "source_label": "bimatoprost", "target_label": "mestranol", "cosine_similarity": 0.270836591720581 } }, { "source": "CID:60186973", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54653980", "properties": { "id": "SA-1938111-SA-1472321 similarity", "source_label": "SA-1938111", "target_label": "SA-1472321", "cosine_similarity": 0.3036396503448486 } }, { "source": "CID:2785467", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "ARG-A1-2-F-1566-0341 similarity", "source_label": "ARG-A1-2", "target_label": "F-1566-0341", "cosine_similarity": 0.3762194216251373 } }, { "source": "CID:2820134", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353431", "properties": { "id": "KM-03472SC-BAY-11-7082 similarity", "source_label": "KM-03472SC", "target_label": "BAY-11-7082", "cosine_similarity": 0.2593110501766205 } }, { "source": "CID:11640390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262792", "properties": { "id": "linsitinib-AZD-2014 similarity", "source_label": "linsitinib", "target_label": "AZD-2014", "cosine_similarity": 0.5896919369697571 } }, { "source": "CID:25044703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5369129", "properties": { "id": "TMI-15-kavain similarity", "source_label": "TMI-15", "target_label": "kavain", "cosine_similarity": 0.2327313721179962 } }, { "source": "CID:5329480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "GW-583340-selumetinib similarity", "source_label": "GW-583340", "target_label": "selumetinib", "cosine_similarity": 0.2905290126800537 } }, { "source": "CID:4183496", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16129666", "properties": { "id": "EMF-bca1-16-thiostrepton similarity", "source_label": "EMF-bca1-16", "target_label": "thiostrepton", "cosine_similarity": 0.7819277048110962 } }, { "source": "CID:5281087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543513", "properties": { "id": "oxantel-APO-866 similarity", "source_label": "oxantel", "target_label": "APO-866", "cosine_similarity": 0.2708531320095062 } }, { "source": "CID:148198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "GMX-1778-fumonisin-b1 similarity", "source_label": "GMX-1778", "target_label": "fumonisin-b1", "cosine_similarity": 0.4795272648334503 } }, { "source": "CID:23789067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3287", "properties": { "id": "sisomicin-ethionamide similarity", "source_label": "sisomicin", "target_label": "ethionamide", "cosine_similarity": 0.2152236700057983 } }, { "source": "CID:2252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4363", "properties": { "id": "ATPA-N-formylmethionylalanine similarity", "source_label": "ATPA", "target_label": "N-formylmethionylalanine", "cosine_similarity": 0.2557900249958038 } }, { "source": "CID:3976", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6410758", "properties": { "id": "LY-83583-cefatrizine similarity", "source_label": "LY-83583", "target_label": "cefatrizine", "cosine_similarity": 0.2463709414005279 } }, { "source": "CID:60835", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25150857", "properties": { "id": "duloxetine-BIX-01294 similarity", "source_label": "duloxetine", "target_label": "BIX-01294", "cosine_similarity": 0.2908598780632019 } }, { "source": "CID:13292831", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:262093", "properties": { "id": "prostaglandin-NSC-95397 similarity", "source_label": "prostaglandin", "target_label": "NSC-95397", "cosine_similarity": 0.4229325652122497 } }, { "source": "CID:60750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "gemcitabine-amsacrine similarity", "source_label": "gemcitabine", "target_label": "amsacrine", "cosine_similarity": 0.7439876198768616 } }, { "source": "CID:96946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "lobelanidine-dubinidine similarity", "source_label": "lobelanidine", "target_label": "dubinidine", "cosine_similarity": 0.3590348958969116 } }, { "source": "CID:46239015", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51358113", "properties": { "id": "SCH-900776-torin-2 similarity", "source_label": "SCH-900776", "target_label": "torin-2", "cosine_similarity": 0.3070715665817261 } }, { "source": "CID:4499", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "nisoldipine-sorafenib similarity", "source_label": "nisoldipine", "target_label": "sorafenib", "cosine_similarity": 0.3022691309452057 } }, { "source": "CID:46244454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "AZ-20-NVP-BEZ235 similarity", "source_label": "AZ-20", "target_label": "NVP-BEZ235", "cosine_similarity": 0.6383416652679443 } }, { "source": "CID:446596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13013971", "properties": { "id": "mupirocin-depomedrol similarity", "source_label": "mupirocin", "target_label": "depomedrol", "cosine_similarity": 0.2862879931926727 } }, { "source": "CID:122272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1088", "properties": { "id": "BMS-182874-sarcosine similarity", "source_label": "BMS-182874", "target_label": "sarcosine", "cosine_similarity": 0.2754672467708587 } }, { "source": "CID:10398360", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1392066", "properties": { "id": "3-matida-MW-STK33-100 similarity", "source_label": "3-matida", "target_label": "MW-STK33-100", "cosine_similarity": 0.2512088418006897 } }, { "source": "CID:4756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3062316", "properties": { "id": "phenazopyridine-dasatinib similarity", "source_label": "phenazopyridine", "target_label": "dasatinib", "cosine_similarity": 0.2909723222255707 } }, { "source": "CID:32798", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "clobetasol-dexamethasone similarity", "source_label": "clobetasol", "target_label": "dexamethasone", "cosine_similarity": 0.7273829579353333 } }, { "source": "CID:5748555", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "mammea-a-AG-592 similarity", "source_label": "mammea-a", "target_label": "AG-592", "cosine_similarity": 0.4045387804508209 } }, { "source": "CID:2345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5510", "properties": { "id": "benzyl-benzoate-tolnaftate similarity", "source_label": "benzyl-benzoate", "target_label": "tolnaftate", "cosine_similarity": 0.1777836382389068 } }, { "source": "CID:65856", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:64139", "properties": { "id": "reboxetine-efavirenz similarity", "source_label": "reboxetine", "target_label": "efavirenz", "cosine_similarity": 0.5083704590797424 } }, { "source": "CID:25226380", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:67278", "properties": { "id": "enobosarm-phenoxazine similarity", "source_label": "enobosarm", "target_label": "phenoxazine", "cosine_similarity": 0.2463895231485366 } }, { "source": "CID:92722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54687", "properties": { "id": "argatroban-pravastatin similarity", "source_label": "argatroban", "target_label": "pravastatin", "cosine_similarity": 0.3172053098678589 } }, { "source": "CID:15541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "spectinomycin-zebularine similarity", "source_label": "spectinomycin", "target_label": "zebularine", "cosine_similarity": 0.3199131488800049 } }, { "source": "CID:68508601", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "PT-630-alda-1 similarity", "source_label": "PT-630", "target_label": "alda-1", "cosine_similarity": 0.5774088501930237 } }, { "source": "CID:5720188", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:650361", "properties": { "id": "BH3I-1-ASN-05257430 similarity", "source_label": "BH3I-1", "target_label": "ASN-05257430", "cosine_similarity": 0.29558926820755 } }, { "source": "CID:71693", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:128878", "properties": { "id": "fomocaine-2-iminobiotin similarity", "source_label": "fomocaine", "target_label": "2-iminobiotin", "cosine_similarity": 0.3632981181144714 } }, { "source": "CID:73707418", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "celastrol-auranofin similarity", "source_label": "celastrol", "target_label": "auranofin", "cosine_similarity": 0.5992586612701416 } }, { "source": "CID:3715", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "indometacin-ABT-202 similarity", "source_label": "indometacin", "target_label": "ABT-202", "cosine_similarity": 0.3774313032627105 } }, { "source": "CID:44484569", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "SA-423167-resveratrol similarity", "source_label": "SA-423167", "target_label": "resveratrol", "cosine_similarity": 0.2544476091861725 } }, { "source": "CID:3447", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122173063", "properties": { "id": "gabexate-GSK-J2 similarity", "source_label": "gabexate", "target_label": "GSK-J2", "cosine_similarity": 0.3566366136074066 } }, { "source": "CID:54658832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484798", "properties": { "id": "SA-1459256-SA-89735 similarity", "source_label": "SA-1459256", "target_label": "SA-89735", "cosine_similarity": 0.3269843757152557 } }, { "source": "CID:167551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:729859", "properties": { "id": "anacardic-acid-CTB similarity", "source_label": "anacardic-acid", "target_label": "CTB", "cosine_similarity": 0.4494609832763672 } }, { "source": "CID:2520", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "verapamil-entecavir similarity", "source_label": "verapamil", "target_label": "entecavir", "cosine_similarity": 0.3996815681457519 } }, { "source": "CID:99253", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "SAL-1-DAC-004 similarity", "source_label": "SAL-1", "target_label": "DAC-004", "cosine_similarity": 0.395626813173294 } }, { "source": "CID:44493137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "SD-8-005-DAC-012 similarity", "source_label": "SD-8-005", "target_label": "DAC-012", "cosine_similarity": 0.2811062932014465 } }, { "source": "CID:1716436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5961", "properties": { "id": "JMW-MITF1-glutamine similarity", "source_label": "JMW-MITF1", "target_label": "glutamine", "cosine_similarity": 0.5266028642654419 } }, { "source": "CID:2936384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "SF-11-KU-C103428N similarity", "source_label": "SF-11", "target_label": "KU-C103428N", "cosine_similarity": 0.2242925018072128 } }, { "source": "CID:9795278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "PNU-282987-FTI-276 similarity", "source_label": "PNU-282987", "target_label": "FTI-276", "cosine_similarity": 0.3286074995994568 } }, { "source": "CID:51001932", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11977753", "properties": { "id": "taselisib-NVP-BEZ235 similarity", "source_label": "taselisib", "target_label": "NVP-BEZ235", "cosine_similarity": 0.8021204471588135 } }, { "source": "CID:11998575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "palomid-529-apocynin similarity", "source_label": "palomid-529", "target_label": "apocynin", "cosine_similarity": 0.4568743109703064 } }, { "source": "CID:33572", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13037657", "properties": { "id": "ritodrine-anecortave-acetate similarity", "source_label": "ritodrine", "target_label": "anecortave-acetate", "cosine_similarity": 0.3288227915763855 } }, { "source": "CID:4622", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918736", "properties": { "id": "oxibendazole-rigosertib similarity", "source_label": "oxibendazole", "target_label": "rigosertib", "cosine_similarity": 0.5890128016471863 } }, { "source": "CID:44498557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3331", "properties": { "id": "SA-418993-felbamate similarity", "source_label": "SA-418993", "target_label": "felbamate", "cosine_similarity": 0.2482837736606598 } }, { "source": "CID:821257", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9926791", "properties": { "id": "RAN-14A-tofacitinib similarity", "source_label": "RAN-14A", "target_label": "tofacitinib", "cosine_similarity": 0.3045092225074768 } }, { "source": "CID:4928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702007", "properties": { "id": "prometon-amikacin similarity", "source_label": "prometon", "target_label": "amikacin", "cosine_similarity": 0.2541378438472748 } }, { "source": "CID:2471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "bumetanide-marbofloxacin similarity", "source_label": "bumetanide", "target_label": "marbofloxacin", "cosine_similarity": 0.4536450803279876 } }, { "source": "CID:5458428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "cytochalasin-d-RS-17053 similarity", "source_label": "cytochalasin-d", "target_label": "RS-17053", "cosine_similarity": 0.4040001630783081 } }, { "source": "CID:54660187", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60190124", "properties": { "id": "SA-1455822-SA-1939007 similarity", "source_label": "SA-1455822", "target_label": "SA-1939007", "cosine_similarity": 0.296917200088501 } }, { "source": "CID:3489614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "CGP-54626-FTI-276 similarity", "source_label": "CGP-54626", "target_label": "FTI-276", "cosine_similarity": 0.3060811161994934 } }, { "source": "CID:53472153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4771", "properties": { "id": "PF-4800567-phentermine similarity", "source_label": "PF-4800567", "target_label": "phentermine", "cosine_similarity": 0.2088425606489181 } }, { "source": "CID:2310", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3219", "properties": { "id": "bemegride-emedastine similarity", "source_label": "bemegride", "target_label": "emedastine", "cosine_similarity": 0.4971877932548523 } }, { "source": "CID:3000022", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11524144", "properties": { "id": "MW-STK33-23-dorsomorphin similarity", "source_label": "MW-STK33-23", "target_label": "dorsomorphin", "cosine_similarity": 0.5856402516365051 } }, { "source": "CID:704473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607360", "properties": { "id": "STF-62247-WZ-3146 similarity", "source_label": "STF-62247", "target_label": "WZ-3146", "cosine_similarity": 0.3178429305553436 } }, { "source": "CID:51049968", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4908", "properties": { "id": "BMS-927711-primaquine similarity", "source_label": "BMS-927711", "target_label": "primaquine", "cosine_similarity": 0.3779376447200775 } }, { "source": "CID:221493", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:43008", "properties": { "id": "cholic-acid-alizapride similarity", "source_label": "cholic-acid", "target_label": "alizapride", "cosine_similarity": 0.5903034210205078 } }, { "source": "CID:24868309", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "CD-1530-I-606061 similarity", "source_label": "CD-1530", "target_label": "I-606061", "cosine_similarity": 0.3912824690341949 } }, { "source": "CID:92722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10052040", "properties": { "id": "argatroban-CP-945598 similarity", "source_label": "argatroban", "target_label": "CP-945598", "cosine_similarity": 0.3575755953788757 } }, { "source": "CID:11214940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53302361", "properties": { "id": "erastin-HG-6-64-01 similarity", "source_label": "erastin", "target_label": "HG-6-64-01", "cosine_similarity": 0.3364399075508117 } }, { "source": "CID:9826528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11676786", "properties": { "id": "PD-0325901-AZ-628 similarity", "source_label": "PD-0325901", "target_label": "AZ-628", "cosine_similarity": 0.7932295799255371 } }, { "source": "CID:71777", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "lufenuron-palmatine-chloride similarity", "source_label": "lufenuron", "target_label": "palmatine-chloride", "cosine_similarity": 0.4290493726730346 } }, { "source": "CID:3689415", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631078", "properties": { "id": "K784-3187-KU-C104337 similarity", "source_label": "K784-3187", "target_label": "KU-C104337", "cosine_similarity": 0.778836727142334 } }, { "source": "CID:3035714", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9810929", "properties": { "id": "ABT-751-dolastatin-10 similarity", "source_label": "ABT-751", "target_label": "dolastatin-10", "cosine_similarity": 0.8154764771461487 } }, { "source": "CID:62887", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49867930", "properties": { "id": "atracurium-RG-4733 similarity", "source_label": "atracurium", "target_label": "RG-4733", "cosine_similarity": 0.262694239616394 } }, { "source": "CID:158781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "olmesartan-Gossypetin similarity", "source_label": "olmesartan", "target_label": "Gossypetin", "cosine_similarity": 0.2541250884532928 } }, { "source": "CID:44502953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843020", "properties": { "id": "SD-6-035-B4-CAM-9-021 similarity", "source_label": "SD-6-035-B4", "target_label": "CAM-9-021", "cosine_similarity": 0.2924898564815521 } }, { "source": "CID:2780", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5174", "properties": { "id": "clebopride-SC-68376 similarity", "source_label": "clebopride", "target_label": "SC-68376", "cosine_similarity": 0.2713227570056915 } }, { "source": "CID:5893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3796", "properties": { "id": "nadide-KIN001-055 similarity", "source_label": "nadide", "target_label": "KIN001-055", "cosine_similarity": 0.2653651535511017 } }, { "source": "CID:667511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60769", "properties": { "id": "tramadol-MDL-73005EF similarity", "source_label": "tramadol", "target_label": "MDL-73005EF", "cosine_similarity": 0.3820053339004516 } }, { "source": "CID:216305", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282219", "properties": { "id": "alagebrium-sofalcone similarity", "source_label": "alagebrium", "target_label": "sofalcone", "cosine_similarity": 0.4227373003959656 } }, { "source": "CID:5344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "sulfafurazole-rolipram similarity", "source_label": "sulfafurazole", "target_label": "rolipram", "cosine_similarity": 0.314273864030838 } }, { "source": "CID:3759", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5639", "properties": { "id": "isocarboxazid-urapidil similarity", "source_label": "isocarboxazid", "target_label": "urapidil", "cosine_similarity": 0.2508712112903595 } }, { "source": "CID:5719", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5573", "properties": { "id": "zaleplon-trimebutine similarity", "source_label": "zaleplon", "target_label": "trimebutine", "cosine_similarity": 0.3748222291469574 } }, { "source": "CID:128878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25031915", "properties": { "id": "2-iminobiotin-lucitanib similarity", "source_label": "2-iminobiotin", "target_label": "lucitanib", "cosine_similarity": 0.4546588659286499 } }, { "source": "CID:11488320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "AZD-8931-Ro-4987655 similarity", "source_label": "AZD-8931", "target_label": "Ro-4987655", "cosine_similarity": 0.3358689248561859 } }, { "source": "CID:9416", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5511", "properties": { "id": "testosterone-enanthate-tolperisone similarity", "source_label": "testosterone-enanthate", "target_label": "tolperisone", "cosine_similarity": 0.1409060657024383 } }, { "source": "CID:92766", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2442", "properties": { "id": "corynanthine-bromhexine similarity", "source_label": "corynanthine", "target_label": "bromhexine", "cosine_similarity": 0.2699111998081207 } }, { "source": "CID:11219195", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22416236", "properties": { "id": "KU-C103658-KU-C103655 similarity", "source_label": "KU-C103658", "target_label": "KU-C103655", "cosine_similarity": 0.267985463142395 } }, { "source": "CID:25260757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398516", "properties": { "id": "WYE-125132-OSI-027 similarity", "source_label": "WYE-125132", "target_label": "OSI-027", "cosine_similarity": 0.8466039299964905 } }, { "source": "CID:10050129", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "demeclocycline-L-ergothioneine similarity", "source_label": "demeclocycline", "target_label": "L-ergothioneine", "cosine_similarity": 0.3547166883945465 } }, { "source": "CID:33625", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3085219", "properties": { "id": "indoramin-mirtazapine similarity", "source_label": "indoramin", "target_label": "mirtazapine", "cosine_similarity": 0.3294636905193329 } }, { "source": "CID:5436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4336830", "properties": { "id": "thiamylal-SC-19220 similarity", "source_label": "thiamylal", "target_label": "SC-19220", "cosine_similarity": 0.273919403553009 } }, { "source": "CID:193962", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24965990", "properties": { "id": "etravirine-suvorexant similarity", "source_label": "etravirine", "target_label": "suvorexant", "cosine_similarity": 0.312796026468277 } }, { "source": "CID:3736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:22094941", "properties": { "id": "iopromide-norcitalopram similarity", "source_label": "iopromide", "target_label": "norcitalopram", "cosine_similarity": 0.2170190215110778 } }, { "source": "CID:11950170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:33887", "properties": { "id": "KD-025-almitrine similarity", "source_label": "KD-025", "target_label": "almitrine", "cosine_similarity": 0.2127937376499176 } }, { "source": "CID:9905190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "CDC-KU-C104140 similarity", "source_label": "CDC", "target_label": "KU-C104140", "cosine_similarity": 0.2318462431430816 } }, { "source": "CID:5701990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123879", "properties": { "id": "testosterone-propionate-ramatroban similarity", "source_label": "testosterone-propionate", "target_label": "ramatroban", "cosine_similarity": 0.1642965227365493 } }, { "source": "CID:2126", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:449171", "properties": { "id": "AM-580-alitretinoin similarity", "source_label": "AM-580", "target_label": "alitretinoin", "cosine_similarity": 0.4411426186561584 } }, { "source": "CID:460", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44503093", "properties": { "id": "guaiacol-SA-246522 similarity", "source_label": "guaiacol", "target_label": "SA-246522", "cosine_similarity": 0.2125656753778457 } }, { "source": "CID:45281794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45281801", "properties": { "id": "VU-0365114-2-VU-0365121-1 similarity", "source_label": "VU-0365114-2", "target_label": "VU-0365121-1", "cosine_similarity": 0.4650927186012268 } }, { "source": "CID:10200390", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3387354", "properties": { "id": "BAY-61-3606-SB-218078 similarity", "source_label": "BAY-61-3606", "target_label": "SB-218078", "cosine_similarity": 0.6953104138374329 } }, { "source": "CID:3247059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11595431", "properties": { "id": "epoxycholesterol-GW-9508 similarity", "source_label": "epoxycholesterol", "target_label": "GW-9508", "cosine_similarity": 0.2708472907543182 } }, { "source": "CID:45006067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "parthenolide-pifithrin-mu similarity", "source_label": "parthenolide", "target_label": "pifithrin-mu", "cosine_similarity": 0.7044369578361511 } }, { "source": "CID:53484654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16659841", "properties": { "id": "tetrahydrobiopterin-AZD-1480 similarity", "source_label": "tetrahydrobiopterin", "target_label": "AZD-1480", "cosine_similarity": 0.2485671639442443 } }, { "source": "CID:182585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:328236", "properties": { "id": "MDL-72832-heraclenol similarity", "source_label": "MDL-72832", "target_label": "heraclenol", "cosine_similarity": 0.229377195239067 } }, { "source": "CID:4299", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25262965", "properties": { "id": "W-13-AZD-8055 similarity", "source_label": "W-13", "target_label": "AZD-8055", "cosine_similarity": 0.238241046667099 } }, { "source": "CID:5166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24779724", "properties": { "id": "SB-239063-SGX-523 similarity", "source_label": "SB-239063", "target_label": "SGX-523", "cosine_similarity": 0.4160990715026855 } }, { "source": "CID:11395181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5311", "properties": { "id": "NCH-51-vorinostat similarity", "source_label": "NCH-51", "target_label": "vorinostat", "cosine_similarity": 0.900030255317688 } }, { "source": "CID:16667695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5467485", "properties": { "id": "selamectin-AG-592 similarity", "source_label": "selamectin", "target_label": "AG-592", "cosine_similarity": 0.3492253422737121 } }, { "source": "CID:3339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710622", "properties": { "id": "fenofibrate-bicuculline similarity", "source_label": "fenofibrate", "target_label": "bicuculline", "cosine_similarity": 0.2875290811061859 } }, { "source": "CID:8378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65889", "properties": { "id": "neomycin-apafant similarity", "source_label": "neomycin", "target_label": "apafant", "cosine_similarity": 0.1635091453790664 } }, { "source": "CID:2733", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "chlorzoxazone-SA-441092 similarity", "source_label": "chlorzoxazone", "target_label": "SA-441092", "cosine_similarity": 0.1826710402965545 } }, { "source": "CID:35028748", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5388993", "properties": { "id": "CAY-10585-vincristine similarity", "source_label": "CAY-10585", "target_label": "vincristine", "cosine_similarity": 0.3062297403812408 } }, { "source": "CID:4071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "mercaptopurine-bithionol similarity", "source_label": "mercaptopurine", "target_label": "bithionol", "cosine_similarity": 0.2652691304683685 } }, { "source": "CID:720272", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "ST-012015-fatostatin similarity", "source_label": "ST-012015", "target_label": "fatostatin", "cosine_similarity": 0.3716475069522857 } }, { "source": "CID:54615594", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660437", "properties": { "id": "SA-427730-SA-1459714 similarity", "source_label": "SA-427730", "target_label": "SA-1459714", "cosine_similarity": 0.25568687915802 } }, { "source": "CID:446378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287620", "properties": { "id": "thapsigargin-brefeldin-a similarity", "source_label": "thapsigargin", "target_label": "brefeldin-a", "cosine_similarity": 0.6566751003265381 } }, { "source": "CID:25134326", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24785538", "properties": { "id": "ASP-3026-BMS-754807 similarity", "source_label": "ASP-3026", "target_label": "BMS-754807", "cosine_similarity": 0.3560121357440948 } }, { "source": "CID:3198", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:30668", "properties": { "id": "econazole-lofexidine similarity", "source_label": "econazole", "target_label": "lofexidine", "cosine_similarity": 0.3573517501354217 } }, { "source": "CID:45259137", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5426", "properties": { "id": "VU-0415011-thalidomide similarity", "source_label": "VU-0415011", "target_label": "thalidomide", "cosine_similarity": 0.2671058475971222 } }, { "source": "CID:442428", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5758458", "properties": { "id": "naringin-thiazolopyrimidine similarity", "source_label": "naringin", "target_label": "thiazolopyrimidine", "cosine_similarity": 0.2814055979251861 } }, { "source": "CID:31275", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "dioxane-fumonisin-b1 similarity", "source_label": "dioxane", "target_label": "fumonisin-b1", "cosine_similarity": 0.2074254006147384 } }, { "source": "CID:4060", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "mephenytoin-vinpocetine similarity", "source_label": "mephenytoin", "target_label": "vinpocetine", "cosine_similarity": 0.235733151435852 } }, { "source": "CID:44618378", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502578", "properties": { "id": "SA-424170-SA-244358 similarity", "source_label": "SA-424170", "target_label": "SA-244358", "cosine_similarity": 0.3125669658184051 } }, { "source": "CID:8029", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5166", "properties": { "id": "furan-SB-239063 similarity", "source_label": "furan", "target_label": "SB-239063", "cosine_similarity": 0.2993839085102081 } }, { "source": "CID:45281797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "VU-0365117-1-vinblastine similarity", "source_label": "VU-0365117-1", "target_label": "vinblastine", "cosine_similarity": 0.5289202928543091 } }, { "source": "CID:5353842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "OBAA-vecuronium similarity", "source_label": "OBAA", "target_label": "vecuronium", "cosine_similarity": 0.3483040928840637 } }, { "source": "CID:327653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "pifithrin-mu-NSC-632839 similarity", "source_label": "pifithrin-mu", "target_label": "NSC-632839", "cosine_similarity": 0.8683637380599976 } }, { "source": "CID:4850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2756", "properties": { "id": "piribedil-cimetidine similarity", "source_label": "piribedil", "target_label": "cimetidine", "cosine_similarity": 0.3197201490402221 } }, { "source": "CID:5282451", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "pitavastatin-GR-127935 similarity", "source_label": "pitavastatin", "target_label": "GR-127935", "cosine_similarity": 0.4951704144477844 } }, { "source": "CID:1505783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657695", "properties": { "id": "STK-661558-SA-1973497 similarity", "source_label": "STK-661558", "target_label": "SA-1973497", "cosine_similarity": 0.3579557538032532 } }, { "source": "CID:223368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "equilin-temozolomide similarity", "source_label": "equilin", "target_label": "temozolomide", "cosine_similarity": 0.404495507478714 } }, { "source": "CID:22693263", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5466054", "properties": { "id": "RAN-02-ST-208960 similarity", "source_label": "RAN-02", "target_label": "ST-208960", "cosine_similarity": 0.3107374012470245 } }, { "source": "CID:159603", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707528", "properties": { "id": "resiquimod-etodolac similarity", "source_label": "resiquimod", "target_label": "etodolac", "cosine_similarity": 0.3105974197387695 } }, { "source": "CID:72287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8616", "properties": { "id": "levomepromazine-peucedanin similarity", "source_label": "levomepromazine", "target_label": "peucedanin", "cosine_similarity": 0.2305522561073303 } }, { "source": "CID:5587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "tripelennamine-Gossypetin similarity", "source_label": "tripelennamine", "target_label": "Gossypetin", "cosine_similarity": 0.2599116861820221 } }, { "source": "CID:22121918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "TUL_XX087-methyl-fasudil similarity", "source_label": "TUL_XX087", "target_label": "methyl-fasudil", "cosine_similarity": 0.7098034024238586 } }, { "source": "CID:3950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10171544", "properties": { "id": "lomustine-zaprinast similarity", "source_label": "lomustine", "target_label": "zaprinast", "cosine_similarity": 0.3549695312976837 } }, { "source": "CID:5281621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "gossypin-myricetin similarity", "source_label": "gossypin", "target_label": "myricetin", "cosine_similarity": 0.4865981042385101 } }, { "source": "CID:3324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "famciclovir-clofibric-acid similarity", "source_label": "famciclovir", "target_label": "clofibric-acid", "cosine_similarity": 0.4592849612236023 } }, { "source": "CID:44616686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60187003", "properties": { "id": "SA-441487-SA-1937536 similarity", "source_label": "SA-441487", "target_label": "SA-1937536", "cosine_similarity": 0.3220017850399017 } }, { "source": "CID:2405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65999", "properties": { "id": "bisoprolol-telmisartan similarity", "source_label": "bisoprolol", "target_label": "telmisartan", "cosine_similarity": 0.3583386242389679 } }, { "source": "CID:72967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "isonicotinohydroxamic-acid-rilmenidine similarity", "source_label": "isonicotinohydroxamic-acid", "target_label": "rilmenidine", "cosine_similarity": 0.3197013139724731 } }, { "source": "CID:6466", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "MD-920-REV-5901 similarity", "source_label": "MD-920", "target_label": "REV-5901", "cosine_similarity": 0.400827944278717 } }, { "source": "CID:56640146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1585", "properties": { "id": "dasabuvir-CV-1808 similarity", "source_label": "dasabuvir", "target_label": "CV-1808", "cosine_similarity": 0.3014790713787079 } }, { "source": "CID:2724", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702090", "properties": { "id": "chlorphensin-naloxone similarity", "source_label": "chlorphensin", "target_label": "naloxone", "cosine_similarity": 0.2789379954338074 } }, { "source": "CID:44617231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44491516", "properties": { "id": "SA-424371-SA-432137 similarity", "source_label": "SA-424371", "target_label": "SA-432137", "cosine_similarity": 0.3188936710357666 } }, { "source": "CID:11716890", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "YM-298198-fatostatin similarity", "source_label": "YM-298198", "target_label": "fatostatin", "cosine_similarity": 0.2882358729839325 } }, { "source": "CID:73707408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4707", "properties": { "id": "megestrol-PD-158780 similarity", "source_label": "megestrol", "target_label": "PD-158780", "cosine_similarity": 0.1950935423374176 } }, { "source": "CID:5337366", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23891514", "properties": { "id": "SA-25547-I-606061 similarity", "source_label": "SA-25547", "target_label": "I-606061", "cosine_similarity": 0.6901516914367676 } }, { "source": "CID:5281040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "montelukast-FTI-276 similarity", "source_label": "montelukast", "target_label": "FTI-276", "cosine_similarity": 0.3242065608501434 } }, { "source": "CID:24821094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "ibrutinib-selumetinib similarity", "source_label": "ibrutinib", "target_label": "selumetinib", "cosine_similarity": 0.4764674603939056 } }, { "source": "CID:44503093", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51147633", "properties": { "id": "SA-246522-ME-0328 similarity", "source_label": "SA-246522", "target_label": "ME-0328", "cosine_similarity": 0.3036296367645263 } }, { "source": "CID:6006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5330", "properties": { "id": "leucovorin-sulfamethoxypyridazine similarity", "source_label": "leucovorin", "target_label": "sulfamethoxypyridazine", "cosine_similarity": 0.341224193572998 } }, { "source": "CID:72301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3114", "properties": { "id": "rotundine-disopyramide similarity", "source_label": "rotundine", "target_label": "disopyramide", "cosine_similarity": 0.5041265487670898 } }, { "source": "CID:60185339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498994", "properties": { "id": "SA-1925610-SA-96835 similarity", "source_label": "SA-1925610", "target_label": "SA-96835", "cosine_similarity": 0.4425776600837707 } }, { "source": "CID:68791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "imexon-bemegride similarity", "source_label": "imexon", "target_label": "bemegride", "cosine_similarity": 0.3416688442230224 } }, { "source": "CID:5215", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10168", "properties": { "id": "sulfadiazine-rhein similarity", "source_label": "sulfadiazine", "target_label": "rhein", "cosine_similarity": 0.3348284065723419 } }, { "source": "CID:395754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "FTI-276-XAV-939 similarity", "source_label": "FTI-276", "target_label": "XAV-939", "cosine_similarity": 0.4845181703567505 } }, { "source": "CID:65681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:38521", "properties": { "id": "isbufylline-guanadrel similarity", "source_label": "isbufylline", "target_label": "guanadrel", "cosine_similarity": 0.3181106746196747 } }, { "source": "CID:3009355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2265", "properties": { "id": "vicriviroc-azathioprine similarity", "source_label": "vicriviroc", "target_label": "azathioprine", "cosine_similarity": 0.2896983325481415 } }, { "source": "CID:15074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10620479", "properties": { "id": "isonicotinamide-BML-278 similarity", "source_label": "isonicotinamide", "target_label": "BML-278", "cosine_similarity": 0.4904684722423553 } }, { "source": "CID:443944", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "metrizamide-MW-STK33-4C similarity", "source_label": "metrizamide", "target_label": "MW-STK33-4C", "cosine_similarity": 0.2701453864574432 } }, { "source": "CID:6710662", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702266", "properties": { "id": "fluocinolone-acetonide-amcinonide similarity", "source_label": "fluocinolone-acetonide", "target_label": "amcinonide", "cosine_similarity": 0.5863286256790161 } }, { "source": "CID:73707372", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "PP-30-deforolimus similarity", "source_label": "PP-30", "target_label": "deforolimus", "cosine_similarity": 0.5865399837493896 } }, { "source": "CID:2972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010004", "properties": { "id": "deferiprone-tebipenem similarity", "source_label": "deferiprone", "target_label": "tebipenem", "cosine_similarity": 0.2811426520347595 } }, { "source": "CID:1604254", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6604749", "properties": { "id": "RAN-03-L-689560 similarity", "source_label": "RAN-03", "target_label": "L-689560", "cosine_similarity": 0.2364597767591476 } }, { "source": "CID:6450551", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1889993", "properties": { "id": "axitinib-fatostatin similarity", "source_label": "axitinib", "target_label": "fatostatin", "cosine_similarity": 0.3149831593036651 } }, { "source": "CID:46238405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4534086", "properties": { "id": "RAN-29-KB-R7943 similarity", "source_label": "RAN-29", "target_label": "KB-R7943", "cosine_similarity": 0.2770082056522369 } }, { "source": "CID:37907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2797", "properties": { "id": "climbazole-clofibric-acid similarity", "source_label": "climbazole", "target_label": "clofibric-acid", "cosine_similarity": 0.3852902054786682 } }, { "source": "CID:5092", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5212", "properties": { "id": "rolipram-sildenafil similarity", "source_label": "rolipram", "target_label": "sildenafil", "cosine_similarity": 0.466435045003891 } }, { "source": "CID:5568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107780", "properties": { "id": "triflupromazine-GR-127935 similarity", "source_label": "triflupromazine", "target_label": "GR-127935", "cosine_similarity": 0.3746342658996582 } }, { "source": "CID:5702055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5146", "properties": { "id": "flumethasone-pivalate-salicyl-alcohol similarity", "source_label": "flumethasone-pivalate", "target_label": "salicyl-alcohol", "cosine_similarity": 0.4895786046981811 } }, { "source": "CID:4178", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44502953", "properties": { "id": "mexiletine-SD-6-035-B4 similarity", "source_label": "mexiletine", "target_label": "SD-6-035-B4", "cosine_similarity": 0.2799538969993591 } }, { "source": "CID:12810432", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707380", "properties": { "id": "cefotiam-fumonisin-b1 similarity", "source_label": "cefotiam", "target_label": "fumonisin-b1", "cosine_similarity": 0.2771976888179779 } }, { "source": "CID:6604858", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441728", "properties": { "id": "SB-218795-deltaline similarity", "source_label": "SB-218795", "target_label": "deltaline", "cosine_similarity": 0.2526174187660217 } }, { "source": "CID:20054848", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9957280", "properties": { "id": "bietaserpine-NNC-55-0396 similarity", "source_label": "bietaserpine", "target_label": "NNC-55-0396", "cosine_similarity": 0.2429617196321487 } }, { "source": "CID:695347", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5918561", "properties": { "id": "ST-4039884-ST-024029 similarity", "source_label": "ST-4039884", "target_label": "ST-024029", "cosine_similarity": 0.2943412065505981 } }, { "source": "CID:68186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "spiramide-cyclosporin-a similarity", "source_label": "spiramide", "target_label": "cyclosporin-a", "cosine_similarity": 0.4592059850692749 } }, { "source": "CID:3765", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "isoguvacine-rilmenidine similarity", "source_label": "isoguvacine", "target_label": "rilmenidine", "cosine_similarity": 0.2136168926954269 } }, { "source": "CID:4684627", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2159", "properties": { "id": "RWJ-21757-amisulpride similarity", "source_label": "RWJ-21757", "target_label": "amisulpride", "cosine_similarity": 0.294247955083847 } }, { "source": "CID:44629742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44492894", "properties": { "id": "KU-C104250-SA-90471 similarity", "source_label": "KU-C104250", "target_label": "SA-90471", "cosine_similarity": 0.2563694715499878 } }, { "source": "CID:9887884", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54892", "properties": { "id": "DMP-543-quinapril similarity", "source_label": "DMP-543", "target_label": "quinapril", "cosine_similarity": 0.2391591519117355 } }, { "source": "CID:3763775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280647", "properties": { "id": "MW-MITF22-Gossypetin similarity", "source_label": "MW-MITF22", "target_label": "Gossypetin", "cosine_similarity": 0.4108956754207611 } }, { "source": "CID:24963252", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "TAK-733-MEK-162 similarity", "source_label": "TAK-733", "target_label": "MEK-162", "cosine_similarity": 0.8071167469024658 } }, { "source": "CID:5175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151289", "properties": { "id": "SC-10-evodiamine similarity", "source_label": "SC-10", "target_label": "evodiamine", "cosine_similarity": 0.2612676322460174 } }, { "source": "CID:119031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:37542", "properties": { "id": "marimastat-ribavirin similarity", "source_label": "marimastat", "target_label": "ribavirin", "cosine_similarity": 0.2681675255298614 } }, { "source": "CID:3272524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10621", "properties": { "id": "NBQX-hesperidin similarity", "source_label": "NBQX", "target_label": "hesperidin", "cosine_similarity": 0.2326494604349136 } }, { "source": "CID:68870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "tianeptine-fostamatinib similarity", "source_label": "tianeptine", "target_label": "fostamatinib", "cosine_similarity": 0.5530396103858948 } }, { "source": "CID:135413536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2536", "properties": { "id": "aprepitant-camostat-mesilate similarity", "source_label": "aprepitant", "target_label": "camostat-mesilate", "cosine_similarity": 0.2092232555150985 } }, { "source": "CID:1893", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "7-nitroindazole-BMS-641988 similarity", "source_label": "7-nitroindazole", "target_label": "BMS-641988", "cosine_similarity": 0.4626922011375427 } }, { "source": "CID:46742339", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44631784", "properties": { "id": "VU-0418933-1-VU-0410183-2 similarity", "source_label": "VU-0418933-1", "target_label": "VU-0410183-2", "cosine_similarity": 0.8776845335960388 } }, { "source": "CID:60947", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122335", "properties": { "id": "tirofiban-efaproxiral similarity", "source_label": "tirofiban", "target_label": "efaproxiral", "cosine_similarity": 0.3626421689987182 } }, { "source": "CID:153948", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281040", "properties": { "id": "ranirestat-montelukast similarity", "source_label": "ranirestat", "target_label": "montelukast", "cosine_similarity": 0.1337231248617172 } }, { "source": "CID:5288674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "alvespimycin-NVP-AUY922 similarity", "source_label": "alvespimycin", "target_label": "NVP-AUY922", "cosine_similarity": 0.8687993288040161 } }, { "source": "CID:49843318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282071", "properties": { "id": "SD-6-035-A11-sirolimus similarity", "source_label": "SD-6-035-A11", "target_label": "sirolimus", "cosine_similarity": 0.2934098839759826 } }, { "source": "CID:6918097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54680692", "properties": { "id": "dexniguldipine-phenprocoumon similarity", "source_label": "dexniguldipine", "target_label": "phenprocoumon", "cosine_similarity": 0.3373088240623474 } }, { "source": "CID:334704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:707029", "properties": { "id": "marmesin-EX-527 similarity", "source_label": "marmesin", "target_label": "EX-527", "cosine_similarity": 0.3153569996356964 } }, { "source": "CID:182593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10474339", "properties": { "id": "RS-23597-190-BMS-191011 similarity", "source_label": "RS-23597-190", "target_label": "BMS-191011", "cosine_similarity": 0.3945878744125366 } }, { "source": "CID:56971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360515", "properties": { "id": "ipsapirone-naltrexone similarity", "source_label": "ipsapirone", "target_label": "naltrexone", "cosine_similarity": 0.2998278439044952 } }, { "source": "CID:13013971", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281004", "properties": { "id": "depomedrol-budesonide similarity", "source_label": "depomedrol", "target_label": "budesonide", "cosine_similarity": 0.2811821103096008 } }, { "source": "CID:9811834", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "sacubitril-actarit similarity", "source_label": "sacubitril", "target_label": "actarit", "cosine_similarity": 0.3356895446777344 } }, { "source": "CID:65599", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280343", "properties": { "id": "lomifylline-quercetin similarity", "source_label": "lomifylline", "target_label": "quercetin", "cosine_similarity": 0.3341126441955566 } }, { "source": "CID:9967941", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "SB-525334-Y-27632 similarity", "source_label": "SB-525334", "target_label": "Y-27632", "cosine_similarity": 0.3426733613014221 } }, { "source": "CID:5921", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "n-nitrosodiethylamine-MW-MITF28 similarity", "source_label": "n-nitrosodiethylamine", "target_label": "MW-MITF28", "cosine_similarity": 0.2887249588966369 } }, { "source": "CID:65664", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "artesunate-vemurafenib similarity", "source_label": "artesunate", "target_label": "vemurafenib", "cosine_similarity": 0.4802600145339966 } }, { "source": "CID:5334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19009", "properties": { "id": "sulfanitran-palmatine-chloride similarity", "source_label": "sulfanitran", "target_label": "palmatine-chloride", "cosine_similarity": 0.6004714965820312 } }, { "source": "CID:73707414", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "nelfinavir-RAF-265 similarity", "source_label": "nelfinavir", "target_label": "RAF-265", "cosine_similarity": 0.478979617357254 } }, { "source": "CID:1401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "PD-173074-gefitinib similarity", "source_label": "PD-173074", "target_label": "gefitinib", "cosine_similarity": 0.5519582629203796 } }, { "source": "CID:44593869", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5286239", "properties": { "id": "KU-C103884-MW-MITF28 similarity", "source_label": "KU-C103884", "target_label": "MW-MITF28", "cosine_similarity": 0.2830855548381805 } }, { "source": "CID:3686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "idebenone-diphenidol similarity", "source_label": "idebenone", "target_label": "diphenidol", "cosine_similarity": 0.3459002077579498 } }, { "source": "CID:9853053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2157", "properties": { "id": "lomitapide-amiodarone similarity", "source_label": "lomitapide", "target_label": "amiodarone", "cosine_similarity": 0.2722561955451965 } }, { "source": "CID:44623839", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5730", "properties": { "id": "KU-C104233-ZM-336372 similarity", "source_label": "KU-C104233", "target_label": "ZM-336372", "cosine_similarity": 0.2468907088041305 } }, { "source": "CID:44494796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-97378-SA-1925610 similarity", "source_label": "SA-97378", "target_label": "SA-1925610", "cosine_similarity": 0.4277909696102142 } }, { "source": "CID:71203", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "vinburnine-PF-04620110 similarity", "source_label": "vinburnine", "target_label": "PF-04620110", "cosine_similarity": 0.4733065962791443 } }, { "source": "CID:44483287", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2726824", "properties": { "id": "TC-2559-XAV-939 similarity", "source_label": "TC-2559", "target_label": "XAV-939", "cosine_similarity": 0.2832903265953064 } }, { "source": "CID:4817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "pifithrin-alpha-YK-4279 similarity", "source_label": "pifithrin-alpha", "target_label": "YK-4279", "cosine_similarity": 0.4888341426849365 } }, { "source": "CID:6437862", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "drotaverine-ponatinib similarity", "source_label": "drotaverine", "target_label": "ponatinib", "cosine_similarity": 0.3199640214443207 } }, { "source": "CID:449193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9912743", "properties": { "id": "roflumilast-SB-683698 similarity", "source_label": "roflumilast", "target_label": "SB-683698", "cosine_similarity": 0.4184247553348541 } }, { "source": "CID:3156173", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46901937", "properties": { "id": "ST-014366-UNC-0321 similarity", "source_label": "ST-014366", "target_label": "UNC-0321", "cosine_similarity": 0.2837770283222198 } }, { "source": "CID:6736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "skatole-camptothecin similarity", "source_label": "skatole", "target_label": "camptothecin", "cosine_similarity": 0.2443324625492096 } }, { "source": "CID:44607584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593870", "properties": { "id": "KU-C104137-KU-C103885 similarity", "source_label": "KU-C104137", "target_label": "KU-C103885", "cosine_similarity": 0.4193516373634338 } }, { "source": "CID:16759169", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707386", "properties": { "id": "ACDPP-prima-1-met similarity", "source_label": "ACDPP", "target_label": "prima-1-met", "cosine_similarity": 0.3296359479427337 } }, { "source": "CID:54676038", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:66377", "properties": { "id": "dicoumarol-edoxudine similarity", "source_label": "dicoumarol", "target_label": "edoxudine", "cosine_similarity": 0.271599143743515 } }, { "source": "CID:2120", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "alrestatin-sulforaphane similarity", "source_label": "alrestatin", "target_label": "sulforaphane", "cosine_similarity": 0.275541752576828 } }, { "source": "CID:25044703", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "TMI-15-gossypin similarity", "source_label": "TMI-15", "target_label": "gossypin", "cosine_similarity": 0.2411473393440246 } }, { "source": "CID:25227462", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11442891", "properties": { "id": "PF-03758309-danusertib similarity", "source_label": "PF-03758309", "target_label": "danusertib", "cosine_similarity": 0.4881954193115234 } }, { "source": "CID:54669151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54617432", "properties": { "id": "SA-1921783-SA-424380 similarity", "source_label": "SA-1921783", "target_label": "SA-424380", "cosine_similarity": 0.2643313705921173 } }, { "source": "CID:5574", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "alimemazine-sertraline similarity", "source_label": "alimemazine", "target_label": "sertraline", "cosine_similarity": 0.4743849635124206 } }, { "source": "CID:11703255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "resatorvid-PF-03084014 similarity", "source_label": "resatorvid", "target_label": "PF-03084014", "cosine_similarity": 0.544953465461731 } }, { "source": "CID:29327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "streptozotocin-dropropizine similarity", "source_label": "streptozotocin", "target_label": "dropropizine", "cosine_similarity": 0.3358612954616546 } }, { "source": "CID:2146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2377", "properties": { "id": "aminoguanidine-bifemelane similarity", "source_label": "aminoguanidine", "target_label": "bifemelane", "cosine_similarity": 0.4965394139289856 } }, { "source": "CID:6256", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20279", "properties": { "id": "trifluridine-cladribine similarity", "source_label": "trifluridine", "target_label": "cladribine", "cosine_similarity": 0.5714849829673767 } }, { "source": "CID:133002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2419", "properties": { "id": "PG-9-BMY-7378 similarity", "source_label": "PG-9", "target_label": "BMY-7378", "cosine_similarity": 0.2255618125200271 } }, { "source": "CID:1983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3365", "properties": { "id": "paracetamol-fluconazole similarity", "source_label": "paracetamol", "target_label": "fluconazole", "cosine_similarity": 0.3734852373600006 } }, { "source": "CID:5281691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281222", "properties": { "id": "rhamnetin-butein similarity", "source_label": "rhamnetin", "target_label": "butein", "cosine_similarity": 0.3185352087020874 } }, { "source": "CID:176407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19103", "properties": { "id": "ZM-241385-NSC-3852 similarity", "source_label": "ZM-241385", "target_label": "NSC-3852", "cosine_similarity": 0.2626118957996368 } }, { "source": "CID:16759359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448014", "properties": { "id": "SQ-29548-AR-A014418 similarity", "source_label": "SQ-29548", "target_label": "AR-A014418", "cosine_similarity": 0.2500087022781372 } }, { "source": "CID:33032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4377504", "properties": { "id": "L-glutamic-acid-CFM-2 similarity", "source_label": "L-glutamic-acid", "target_label": "CFM-2", "cosine_similarity": 0.2036062330007553 } }, { "source": "CID:3758", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:47318", "properties": { "id": "IBMX-oltipraz similarity", "source_label": "IBMX", "target_label": "oltipraz", "cosine_similarity": 0.1924280226230621 } }, { "source": "CID:638034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107982", "properties": { "id": "retinyl-dihydrocapsaicin similarity", "source_label": "retinyl", "target_label": "dihydrocapsaicin", "cosine_similarity": 0.2541037797927856 } }, { "source": "CID:449241", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68617", "properties": { "id": "H-89-sertraline similarity", "source_label": "H-89", "target_label": "sertraline", "cosine_similarity": 0.5497021079063416 } }, { "source": "CID:3767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9571107", "properties": { "id": "isoniazid-gemifloxacin similarity", "source_label": "isoniazid", "target_label": "gemifloxacin", "cosine_similarity": 0.3018414676189422 } }, { "source": "CID:3519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "guanfacine-FTI-276 similarity", "source_label": "guanfacine", "target_label": "FTI-276", "cosine_similarity": 0.2791810035705566 } }, { "source": "CID:753704", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:689043", "properties": { "id": "SKI-II-caffeic-acid similarity", "source_label": "SKI-II", "target_label": "caffeic-acid", "cosine_similarity": 0.629657506942749 } }, { "source": "CID:1133081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "BG-1014-BG-1024 similarity", "source_label": "BG-1014", "target_label": "BG-1024", "cosine_similarity": 0.4977178275585174 } }, { "source": "CID:31373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11373846", "properties": { "id": "tetrachloroethylene-GSK-429286A similarity", "source_label": "tetrachloroethylene", "target_label": "GSK-429286A", "cosine_similarity": 0.278978556394577 } }, { "source": "CID:10621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9064", "properties": { "id": "hesperidin-cianidanol similarity", "source_label": "hesperidin", "target_label": "cianidanol", "cosine_similarity": 0.3262864351272583 } }, { "source": "CID:25171648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4006", "properties": { "id": "EMD-1214063-malotilate similarity", "source_label": "EMD-1214063", "target_label": "malotilate", "cosine_similarity": 0.4478761851787567 } }, { "source": "CID:67077825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11213558", "properties": { "id": "AZD-7762-fostamatinib similarity", "source_label": "AZD-7762", "target_label": "fostamatinib", "cosine_similarity": 0.4322693347930908 } }, { "source": "CID:3958", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "lorazepam-estradiol-cypionate similarity", "source_label": "lorazepam", "target_label": "estradiol-cypionate", "cosine_similarity": 0.4801645874977112 } }, { "source": "CID:23777784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13782419", "properties": { "id": "UGISS-186-PSB-069 similarity", "source_label": "UGISS-186", "target_label": "PSB-069", "cosine_similarity": 0.2746647596359253 } }, { "source": "CID:3272300", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "SB-203186-gliclazide similarity", "source_label": "SB-203186", "target_label": "gliclazide", "cosine_similarity": 0.4672616422176361 } }, { "source": "CID:92144482", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24771824", "properties": { "id": "semagacestat-PF-04457845 similarity", "source_label": "semagacestat", "target_label": "PF-04457845", "cosine_similarity": 0.3220420777797699 } }, { "source": "CID:6047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657736", "properties": { "id": "levodopa-SA-1460224 similarity", "source_label": "levodopa", "target_label": "SA-1460224", "cosine_similarity": 0.2324572801589965 } }, { "source": "CID:45375953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49836027", "properties": { "id": "MLN-0128-torin-1 similarity", "source_label": "MLN-0128", "target_label": "torin-1", "cosine_similarity": 0.8383399844169617 } }, { "source": "CID:73707530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25260757", "properties": { "id": "QL-X-138-WYE-125132 similarity", "source_label": "QL-X-138", "target_label": "WYE-125132", "cosine_similarity": 0.6317718625068665 } }, { "source": "CID:208953", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9889200", "properties": { "id": "ZK-200775-balaglitazone similarity", "source_label": "ZK-200775", "target_label": "balaglitazone", "cosine_similarity": 0.3112870752811432 } }, { "source": "CID:2196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5368", "properties": { "id": "aniracetam-T-0156 similarity", "source_label": "aniracetam", "target_label": "T-0156", "cosine_similarity": 0.4024962186813354 } }, { "source": "CID:657237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176158", "properties": { "id": "fludarabine-SB-216763 similarity", "source_label": "fludarabine", "target_label": "SB-216763", "cosine_similarity": 0.3810920715332031 } }, { "source": "CID:69216", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "5-methylhydantoin-gossypin similarity", "source_label": "5-methylhydantoin", "target_label": "gossypin", "cosine_similarity": 0.2191424816846847 } }, { "source": "CID:2929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6445540", "properties": { "id": "indibulin-ixabepilone similarity", "source_label": "indibulin", "target_label": "ixabepilone", "cosine_similarity": 0.7699497938156128 } }, { "source": "CID:44630539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54677407", "properties": { "id": "KU-C104256-robustic-acid similarity", "source_label": "KU-C104256", "target_label": "robustic-acid", "cosine_similarity": 0.2293899357318878 } }, { "source": "CID:448042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "Y-27632-UNC-1215 similarity", "source_label": "Y-27632", "target_label": "UNC-1215", "cosine_similarity": 0.4480350911617279 } }, { "source": "CID:688561", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702051", "properties": { "id": "procaterol-estradiol-cypionate similarity", "source_label": "procaterol", "target_label": "estradiol-cypionate", "cosine_similarity": 0.3968235552310943 } }, { "source": "CID:378811", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3688", "properties": { "id": "MR-16728-IDRA-21 similarity", "source_label": "MR-16728", "target_label": "IDRA-21", "cosine_similarity": 0.2504578530788421 } }, { "source": "CID:73707405", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "CT-200783-pifithrin-mu similarity", "source_label": "CT-200783", "target_label": "pifithrin-mu", "cosine_similarity": 0.8273664712905884 } }, { "source": "CID:11012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23846563", "properties": { "id": "gitoxigenin-helveticoside similarity", "source_label": "gitoxigenin", "target_label": "helveticoside", "cosine_similarity": 0.5580501556396484 } }, { "source": "CID:353825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44490857", "properties": { "id": "graveoline-SA-103123 similarity", "source_label": "graveoline", "target_label": "SA-103123", "cosine_similarity": 0.2639644145965576 } }, { "source": "CID:2577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "carmofur-camptothecin similarity", "source_label": "carmofur", "target_label": "camptothecin", "cosine_similarity": 0.2723035514354706 } }, { "source": "CID:23606608", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707382", "properties": { "id": "EMF-sumo1-10-myriocin similarity", "source_label": "EMF-sumo1-10", "target_label": "myriocin", "cosine_similarity": 0.3508445024490356 } }, { "source": "CID:46898058", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926360", "properties": { "id": "GSK-923295-PF-04620110 similarity", "source_label": "GSK-923295", "target_label": "PF-04620110", "cosine_similarity": 0.3673734962940216 } }, { "source": "CID:44369694", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497183", "properties": { "id": "BNTX-z-leu3-VS similarity", "source_label": "BNTX", "target_label": "z-leu3-VS", "cosine_similarity": 0.7186596989631653 } }, { "source": "CID:5560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4687", "properties": { "id": "trichlormethiazide-paraxanthine similarity", "source_label": "trichlormethiazide", "target_label": "paraxanthine", "cosine_similarity": 0.1696466654539108 } }, { "source": "CID:16760034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442897", "properties": { "id": "bongkrek-acid-dubinidine similarity", "source_label": "bongkrek-acid", "target_label": "dubinidine", "cosine_similarity": 0.39669069647789 } }, { "source": "CID:51003695", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "CVF-SUMO-7-EMF-sumo1-39 similarity", "source_label": "CVF-SUMO-7", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7560886144638062 } }, { "source": "CID:10666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:21785456", "properties": { "id": "ricinine-KU-C103869 similarity", "source_label": "ricinine", "target_label": "KU-C103869", "cosine_similarity": 0.319752037525177 } }, { "source": "CID:693139", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2951859", "properties": { "id": "CAY-10577-DAC-009 similarity", "source_label": "CAY-10577", "target_label": "DAC-009", "cosine_similarity": 0.2549344599246979 } }, { "source": "CID:2797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10286159", "properties": { "id": "clofibric-acid-erteberel similarity", "source_label": "clofibric-acid", "target_label": "erteberel", "cosine_similarity": 0.5144118070602417 } }, { "source": "CID:41049", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:221493", "properties": { "id": "meptazinol-cholic-acid similarity", "source_label": "meptazinol", "target_label": "cholic-acid", "cosine_similarity": 0.3801209628582001 } }, { "source": "CID:16117018", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "KU-60019-vandetanib similarity", "source_label": "KU-60019", "target_label": "vandetanib", "cosine_similarity": 0.3729149103164673 } }, { "source": "CID:51634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3749", "properties": { "id": "miglustat-irbesartan similarity", "source_label": "miglustat", "target_label": "irbesartan", "cosine_similarity": 0.4194990992546081 } }, { "source": "CID:4302964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "KU-14R-PT-630 similarity", "source_label": "KU-14R", "target_label": "PT-630", "cosine_similarity": 0.289736270904541 } }, { "source": "CID:15951529", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5070", "properties": { "id": "enzalutamide-riluzole similarity", "source_label": "enzalutamide", "target_label": "riluzole", "cosine_similarity": 0.4377787411212921 } }, { "source": "CID:4314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:409805", "properties": { "id": "W-5-NSC-23766 similarity", "source_label": "W-5", "target_label": "NSC-23766", "cosine_similarity": 0.2872166037559509 } }, { "source": "CID:50942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71815", "properties": { "id": "doxofylline-secnidazole similarity", "source_label": "doxofylline", "target_label": "secnidazole", "cosine_similarity": 0.3770534992218017 } }, { "source": "CID:9840324", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "etomoxir-NU-1025 similarity", "source_label": "etomoxir", "target_label": "NU-1025", "cosine_similarity": 0.3323332369327545 } }, { "source": "CID:5910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5353853", "properties": { "id": "pilocarpine-oxiconazole similarity", "source_label": "pilocarpine", "target_label": "oxiconazole", "cosine_similarity": 0.3724395036697387 } }, { "source": "CID:134044", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2081", "properties": { "id": "labetalol-alaproclate similarity", "source_label": "labetalol", "target_label": "alaproclate", "cosine_similarity": 0.4399334192276001 } }, { "source": "CID:10182969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4814", "properties": { "id": "apixaban-picotamide similarity", "source_label": "apixaban", "target_label": "picotamide", "cosine_similarity": 0.4357951581478119 } }, { "source": "CID:4770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "phenprobamate-gliclazide similarity", "source_label": "phenprobamate", "target_label": "gliclazide", "cosine_similarity": 0.2349225580692291 } }, { "source": "CID:40532410", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:19667", "properties": { "id": "chlormadinone-bephenium similarity", "source_label": "chlormadinone", "target_label": "bephenium", "cosine_similarity": 0.1975562125444412 } }, { "source": "CID:5447130", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2820381", "properties": { "id": "nitrofural-KM-03949SC similarity", "source_label": "nitrofural", "target_label": "KM-03949SC", "cosine_similarity": 0.2364633977413177 } }, { "source": "CID:5329006", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "ZM-306416-PP-110 similarity", "source_label": "ZM-306416", "target_label": "PP-110", "cosine_similarity": 0.2830625474452972 } }, { "source": "CID:11243969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:72303", "properties": { "id": "saxagliptin-honokiol similarity", "source_label": "saxagliptin", "target_label": "honokiol", "cosine_similarity": 0.5319896936416626 } }, { "source": "CID:122295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2936384", "properties": { "id": "SKF-104078-SF-11 similarity", "source_label": "SKF-104078", "target_label": "SF-11", "cosine_similarity": 0.1692481786012649 } }, { "source": "CID:44187362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11548630", "properties": { "id": "AS-703026-Ro-4987655 similarity", "source_label": "AS-703026", "target_label": "Ro-4987655", "cosine_similarity": 0.7064307332038879 } }, { "source": "CID:54614981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "SA-426799-SA-1456734 similarity", "source_label": "SA-426799", "target_label": "SA-1456734", "cosine_similarity": 0.216081827878952 } }, { "source": "CID:73707359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16667686", "properties": { "id": "L-ascorbyl-6-palmitate-ajmaline similarity", "source_label": "L-ascorbyl-6-palmitate", "target_label": "ajmaline", "cosine_similarity": 0.2473120391368866 } }, { "source": "CID:2710", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "chlorcyclizine-3-CPMT similarity", "source_label": "chlorcyclizine", "target_label": "3-CPMT", "cosine_similarity": 0.2666796147823334 } }, { "source": "CID:24785538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135440466", "properties": { "id": "BMS-754807-BMS-536924 similarity", "source_label": "BMS-754807", "target_label": "BMS-536924", "cosine_similarity": 0.6770862936973572 } }, { "source": "CID:16773791", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707542", "properties": { "id": "BG-1032-BG-1024 similarity", "source_label": "BG-1032", "target_label": "BG-1024", "cosine_similarity": 0.6142739653587341 } }, { "source": "CID:2151", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7073234", "properties": { "id": "ampyrone-catharanthine similarity", "source_label": "ampyrone", "target_label": "catharanthine", "cosine_similarity": 0.1656166911125183 } }, { "source": "CID:73707420", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135539077", "properties": { "id": "EI-247-NVP-AUY922 similarity", "source_label": "EI-247", "target_label": "NVP-AUY922", "cosine_similarity": 0.2666767835617065 } }, { "source": "CID:129989", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659840", "properties": { "id": "AQ-RA741-vesamicol similarity", "source_label": "AQ-RA741", "target_label": "vesamicol", "cosine_similarity": 0.2314704954624176 } }, { "source": "CID:3162043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24768935", "properties": { "id": "MW-STK33-1B-BMS-641988 similarity", "source_label": "MW-STK33-1B", "target_label": "BMS-641988", "cosine_similarity": 0.264883279800415 } }, { "source": "CID:77999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9832447", "properties": { "id": "rosiglitazone-efatutazone similarity", "source_label": "rosiglitazone", "target_label": "efatutazone", "cosine_similarity": 0.3793073296546936 } }, { "source": "CID:5593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "tropicamide-navitoclax similarity", "source_label": "tropicamide", "target_label": "navitoclax", "cosine_similarity": 0.2744711935520172 } }, { "source": "CID:73707528", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4601", "properties": { "id": "etodolac-orphenadrine similarity", "source_label": "etodolac", "target_label": "orphenadrine", "cosine_similarity": 0.3342815041542053 } }, { "source": "CID:6769", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640176", "properties": { "id": "syrosingopine-KU-C104493 similarity", "source_label": "syrosingopine", "target_label": "KU-C104493", "cosine_similarity": 0.2372460812330246 } }, { "source": "CID:44620013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660174", "properties": { "id": "SA-424294-SA-1458610 similarity", "source_label": "SA-424294", "target_label": "SA-1458610", "cosine_similarity": 0.3626745045185089 } }, { "source": "CID:148124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441276", "properties": { "id": "docetaxel-paclitaxel similarity", "source_label": "docetaxel", "target_label": "paclitaxel", "cosine_similarity": 0.89108806848526 } }, { "source": "CID:130313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71234", "properties": { "id": "sulbactam-nicaraven similarity", "source_label": "sulbactam", "target_label": "nicaraven", "cosine_similarity": 0.39478400349617 } }, { "source": "CID:4342", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033825", "properties": { "id": "acecainide-levosimendan similarity", "source_label": "acecainide", "target_label": "levosimendan", "cosine_similarity": 0.3582388162612915 } }, { "source": "CID:73707560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601470", "properties": { "id": "DASB-KUC103893N similarity", "source_label": "DASB", "target_label": "KUC103893N", "cosine_similarity": 0.196787878870964 } }, { "source": "CID:44508028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44484225", "properties": { "id": "SA-247582-SA-90030 similarity", "source_label": "SA-247582", "target_label": "SA-90030", "cosine_similarity": 0.3930579125881195 } }, { "source": "CID:159311", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "bulleyaconitine-a-PJ-34 similarity", "source_label": "bulleyaconitine-a", "target_label": "PJ-34", "cosine_similarity": 0.2797729671001434 } }, { "source": "CID:2247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "astemizole-RS-17053 similarity", "source_label": "astemizole", "target_label": "RS-17053", "cosine_similarity": 0.3490390479564667 } }, { "source": "CID:54666573", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "SA-1919875-JAS07-006 similarity", "source_label": "SA-1919875", "target_label": "JAS07-006", "cosine_similarity": 0.3136718571186065 } }, { "source": "CID:3478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "glipizide-L-citrulline similarity", "source_label": "glipizide", "target_label": "L-citrulline", "cosine_similarity": 0.4038882255554199 } }, { "source": "CID:6450278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5350", "properties": { "id": "GR-235-sulforaphane similarity", "source_label": "GR-235", "target_label": "sulforaphane", "cosine_similarity": 0.3737939000129699 } }, { "source": "CID:58144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "indolophenanthridine-SA-792709 similarity", "source_label": "indolophenanthridine", "target_label": "SA-792709", "cosine_similarity": 0.2733255922794342 } }, { "source": "CID:2837663", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "foliosidine-PT-630 similarity", "source_label": "foliosidine", "target_label": "PT-630", "cosine_similarity": 0.2819463312625885 } }, { "source": "CID:135565082", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7083563", "properties": { "id": "talazoparib-floxuridine similarity", "source_label": "talazoparib", "target_label": "floxuridine", "cosine_similarity": 0.5068944096565247 } }, { "source": "CID:10446295", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4375", "properties": { "id": "JNJ-10191584-FG-7142 similarity", "source_label": "JNJ-10191584", "target_label": "FG-7142", "cosine_similarity": 0.3008866012096405 } }, { "source": "CID:3162043", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "MW-STK33-1B-SA-89763 similarity", "source_label": "MW-STK33-1B", "target_label": "SA-89763", "cosine_similarity": 0.2686752378940582 } }, { "source": "CID:10668061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3038525", "properties": { "id": "SCH-442416-VX-745 similarity", "source_label": "SCH-442416", "target_label": "VX-745", "cosine_similarity": 0.1990272104740142 } }, { "source": "CID:10621", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "hesperidin-riociguat similarity", "source_label": "hesperidin", "target_label": "riociguat", "cosine_similarity": 0.3326931595802307 } }, { "source": "CID:46903876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669111", "properties": { "id": "SD-6-035-A12-SA-1921614 similarity", "source_label": "SD-6-035-A12", "target_label": "SA-1921614", "cosine_similarity": 0.2888572216033935 } }, { "source": "CID:3081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927768", "properties": { "id": "dimethadione-tenoxicam similarity", "source_label": "dimethadione", "target_label": "tenoxicam", "cosine_similarity": 0.2110554873943328 } }, { "source": "CID:5311304", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5394", "properties": { "id": "nalbuphine-temozolomide similarity", "source_label": "nalbuphine", "target_label": "temozolomide", "cosine_similarity": 0.358990877866745 } }, { "source": "CID:44483329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2858523", "properties": { "id": "malonoben-CHEMBL-374350 similarity", "source_label": "malonoben", "target_label": "CHEMBL-374350", "cosine_similarity": 0.6667683124542236 } }, { "source": "CID:9933475", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918508", "properties": { "id": "cediranib-BIBX-1382 similarity", "source_label": "cediranib", "target_label": "BIBX-1382", "cosine_similarity": 0.4965926706790924 } }, { "source": "CID:135419190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282060", "properties": { "id": "AG-879-heliomycin similarity", "source_label": "AG-879", "target_label": "heliomycin", "cosine_similarity": 0.6547902226448059 } }, { "source": "CID:5526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4165", "properties": { "id": "tranexamic-acid-meticrane similarity", "source_label": "tranexamic-acid", "target_label": "meticrane", "cosine_similarity": 0.2030090242624282 } }, { "source": "CID:5161", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208953", "properties": { "id": "sasapyrine-ZK-200775 similarity", "source_label": "sasapyrine", "target_label": "ZK-200775", "cosine_similarity": 0.3451301157474518 } }, { "source": "CID:38853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "methyldopa-rilmenidine similarity", "source_label": "methyldopa", "target_label": "rilmenidine", "cosine_similarity": 0.275898277759552 } }, { "source": "CID:176157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282443", "properties": { "id": "NBI-27914-triprolidine similarity", "source_label": "NBI-27914", "target_label": "triprolidine", "cosine_similarity": 0.2447125911712646 } }, { "source": "CID:6291", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:448042", "properties": { "id": "mestranol-Y-27632 similarity", "source_label": "mestranol", "target_label": "Y-27632", "cosine_similarity": 0.3855162560939789 } }, { "source": "CID:10126189", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44483339", "properties": { "id": "YM-155-BVT-948 similarity", "source_label": "YM-155", "target_label": "BVT-948", "cosine_similarity": 0.5154966115951538 } }, { "source": "CID:44488817", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6708636", "properties": { "id": "SA-84512-dihydrodeoxygedunin similarity", "source_label": "SA-84512", "target_label": "dihydrodeoxygedunin", "cosine_similarity": 0.3162039816379547 } }, { "source": "CID:2236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:657237", "properties": { "id": "aristolochic-acid-fludarabine similarity", "source_label": "aristolochic-acid", "target_label": "fludarabine", "cosine_similarity": 0.278408944606781 } }, { "source": "CID:2723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12124", "properties": { "id": "chloroxylenol-metacetamol similarity", "source_label": "chloroxylenol", "target_label": "metacetamol", "cosine_similarity": 0.6619725227355957 } }, { "source": "CID:49843054", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5105", "properties": { "id": "SD-6-035-A3-roxatidine similarity", "source_label": "SD-6-035-A3", "target_label": "roxatidine", "cosine_similarity": 0.3019380867481231 } }, { "source": "CID:16667686", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1687", "properties": { "id": "ajmaline-3-CPMT similarity", "source_label": "ajmaline", "target_label": "3-CPMT", "cosine_similarity": 0.5559276938438416 } }, { "source": "CID:10947895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2662", "properties": { "id": "paroxetine-celecoxib similarity", "source_label": "paroxetine", "target_label": "celecoxib", "cosine_similarity": 0.5708789825439453 } }, { "source": "CID:781301", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:14113", "properties": { "id": "ML-133-fenigam similarity", "source_label": "ML-133", "target_label": "fenigam", "cosine_similarity": 0.3091179728507995 } }, { "source": "CID:11256587", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:55283", "properties": { "id": "AMD-11070-itraconazole similarity", "source_label": "AMD-11070", "target_label": "itraconazole", "cosine_similarity": 0.3428531885147095 } }, { "source": "CID:46893585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6253", "properties": { "id": "AZD-3514-cytarabine similarity", "source_label": "AZD-3514", "target_label": "cytarabine", "cosine_similarity": 0.3909867703914642 } }, { "source": "CID:6604794", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320", "properties": { "id": "RS-16566-sulfacetamide similarity", "source_label": "RS-16566", "target_label": "sulfacetamide", "cosine_similarity": 0.2662229239940643 } }, { "source": "CID:73333", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "amperozide-CGP-71683 similarity", "source_label": "amperozide", "target_label": "CGP-71683", "cosine_similarity": 0.2974389791488647 } }, { "source": "CID:5941539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135419190", "properties": { "id": "SU-1498-AG-879 similarity", "source_label": "SU-1498", "target_label": "AG-879", "cosine_similarity": 0.3517394363880157 } }, { "source": "CID:5742832", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5338", "properties": { "id": "aztreonam-sulfaquinoxaline similarity", "source_label": "aztreonam", "target_label": "sulfaquinoxaline", "cosine_similarity": 0.2501306533813476 } }, { "source": "CID:462382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:387447", "properties": { "id": "MG-132-bortezomib similarity", "source_label": "MG-132", "target_label": "bortezomib", "cosine_similarity": 0.8332242965698242 } }, { "source": "CID:3213", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "ellipticine-PJ-34 similarity", "source_label": "ellipticine", "target_label": "PJ-34", "cosine_similarity": 0.4888308942317962 } }, { "source": "CID:46740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5191289", "properties": { "id": "Ro-04-5595-Ro-60-0175 similarity", "source_label": "Ro-04-5595", "target_label": "Ro-60-0175", "cosine_similarity": 0.2248564064502716 } }, { "source": "CID:24826799", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123631", "properties": { "id": "ponatinib-gefitinib similarity", "source_label": "ponatinib", "target_label": "gefitinib", "cosine_similarity": 0.6452978849411011 } }, { "source": "CID:54667012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666820", "properties": { "id": "SA-1920327-SA-1921996 similarity", "source_label": "SA-1920327", "target_label": "SA-1921996", "cosine_similarity": 0.2370346039533615 } }, { "source": "CID:32334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "beta-alanine-PT-630 similarity", "source_label": "beta-alanine", "target_label": "PT-630", "cosine_similarity": 0.1792307496070861 } }, { "source": "CID:50942", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3001055", "properties": { "id": "doxofylline-ranitidine similarity", "source_label": "doxofylline", "target_label": "ranitidine", "cosine_similarity": 0.3143845200538635 } }, { "source": "CID:10026128", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50878566", "properties": { "id": "WAY-362450-S-ruxolitinib similarity", "source_label": "WAY-362450", "target_label": "S-ruxolitinib", "cosine_similarity": 0.3548267483711242 } }, { "source": "CID:56928031", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5318433", "properties": { "id": "KUC111109N-indirubin similarity", "source_label": "KUC111109N", "target_label": "indirubin", "cosine_similarity": 0.1764297485351562 } }, { "source": "CID:50997747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "DMH1-morin similarity", "source_label": "DMH1", "target_label": "morin", "cosine_similarity": 0.2493567019701004 } }, { "source": "CID:54659633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44496365", "properties": { "id": "SA-1456220-SA-243929 similarity", "source_label": "SA-1456220", "target_label": "SA-243929", "cosine_similarity": 0.276771605014801 } }, { "source": "CID:12041", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10201696", "properties": { "id": "ethyl-pyruvate-balicatib similarity", "source_label": "ethyl-pyruvate", "target_label": "balicatib", "cosine_similarity": 0.2341698110103607 } }, { "source": "CID:4912", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "probucol-marbofloxacin similarity", "source_label": "probucol", "target_label": "marbofloxacin", "cosine_similarity": 0.5264935493469238 } }, { "source": "CID:5032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "racephedrine-NU-1025 similarity", "source_label": "racephedrine", "target_label": "NU-1025", "cosine_similarity": 0.2700930833816528 } }, { "source": "CID:64981", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702199", "properties": { "id": "arctigenin-antimycin-a similarity", "source_label": "arctigenin", "target_label": "antimycin-a", "cosine_similarity": 0.3321799337863922 } }, { "source": "CID:4086", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60651", "properties": { "id": "orciprenaline-marbofloxacin similarity", "source_label": "orciprenaline", "target_label": "marbofloxacin", "cosine_similarity": 0.5943421721458435 } }, { "source": "CID:25150857", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11404337", "properties": { "id": "BIX-01294-obatoclax similarity", "source_label": "BIX-01294", "target_label": "obatoclax", "cosine_similarity": 0.4954232573509216 } }, { "source": "CID:73707536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707349", "properties": { "id": "BG-1007-BG-1003 similarity", "source_label": "BG-1007", "target_label": "BG-1003", "cosine_similarity": 0.5185142159461975 } }, { "source": "CID:9642", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "fluocinonide-betamethasone similarity", "source_label": "fluocinonide", "target_label": "betamethasone", "cosine_similarity": 0.3503414988517761 } }, { "source": "CID:45375809", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637863", "properties": { "id": "PSI-7976-S-18986 similarity", "source_label": "PSI-7976", "target_label": "S-18986", "cosine_similarity": 0.3361684381961822 } }, { "source": "CID:10223146", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "JTE-013-PSH-024 similarity", "source_label": "JTE-013", "target_label": "PSH-024", "cosine_similarity": 0.2262053191661834 } }, { "source": "CID:5853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "metrifonate-desoxypeganine similarity", "source_label": "metrifonate", "target_label": "desoxypeganine", "cosine_similarity": 0.2658146619796753 } }, { "source": "CID:44630541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "KU-C104253-morin similarity", "source_label": "KU-C104253", "target_label": "morin", "cosine_similarity": 0.2339521646499633 } }, { "source": "CID:6560153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "penicillin-FTI-276 similarity", "source_label": "penicillin", "target_label": "FTI-276", "cosine_similarity": 0.2645272314548492 } }, { "source": "CID:16759359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "SQ-29548-ST-059620 similarity", "source_label": "SQ-29548", "target_label": "ST-059620", "cosine_similarity": 0.2619113624095917 } }, { "source": "CID:73265276", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "WZ-7043-selumetinib similarity", "source_label": "WZ-7043", "target_label": "selumetinib", "cosine_similarity": 0.4021035730838775 } }, { "source": "CID:9840076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:18721", "properties": { "id": "AG-14361-apigenin similarity", "source_label": "AG-14361", "target_label": "apigenin", "cosine_similarity": 0.7396798133850098 } }, { "source": "CID:56965963", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "KIN001-242-UNC-1215 similarity", "source_label": "KIN001-242", "target_label": "UNC-1215", "cosine_similarity": 0.3633526861667633 } }, { "source": "CID:5145950", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "RS-39604-RS-17053 similarity", "source_label": "RS-39604", "target_label": "RS-17053", "cosine_similarity": 0.5262100696563721 } }, { "source": "CID:135409453", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "tegaserod-rhodomyrtoxin-b similarity", "source_label": "tegaserod", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.6406017541885376 } }, { "source": "CID:119828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "parecoxib-piperacillin similarity", "source_label": "parecoxib", "target_label": "piperacillin", "cosine_similarity": 0.3618601560592651 } }, { "source": "CID:6710740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4043357", "properties": { "id": "endecaphyllin-x-hemado similarity", "source_label": "endecaphyllin-x", "target_label": "hemado", "cosine_similarity": 0.2906190156936645 } }, { "source": "CID:160355", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9931954", "properties": { "id": "roscovitine-rucaparib similarity", "source_label": "roscovitine", "target_label": "rucaparib", "cosine_similarity": 0.62125563621521 } }, { "source": "CID:3517", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607584", "properties": { "id": "guanabenz-KU-C104137 similarity", "source_label": "guanabenz", "target_label": "KU-C104137", "cosine_similarity": 0.3599149882793426 } }, { "source": "CID:3037918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010090", "properties": { "id": "dimemorfan-ginkgolide-a similarity", "source_label": "dimemorfan", "target_label": "ginkgolide-a", "cosine_similarity": 0.172032281756401 } }, { "source": "CID:11319053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284549", "properties": { "id": "telcagepant-dorzolamide similarity", "source_label": "telcagepant", "target_label": "dorzolamide", "cosine_similarity": 0.3799229264259338 } }, { "source": "CID:115368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2326", "properties": { "id": "perospirone-benproperine similarity", "source_label": "perospirone", "target_label": "benproperine", "cosine_similarity": 0.2419360727071762 } }, { "source": "CID:16741", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "phenethyl-isothiocyanate-cerulenin similarity", "source_label": "phenethyl-isothiocyanate", "target_label": "cerulenin", "cosine_similarity": 0.6207492351531982 } }, { "source": "CID:11618368", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5720", "properties": { "id": "tozadenant-zaltoprofen similarity", "source_label": "tozadenant", "target_label": "zaltoprofen", "cosine_similarity": 0.2473448067903518 } }, { "source": "CID:123683", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4107", "properties": { "id": "IB-MECA-methocarbamol similarity", "source_label": "IB-MECA", "target_label": "methocarbamol", "cosine_similarity": 0.4675622284412384 } }, { "source": "CID:2814135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629744", "properties": { "id": "CS-2092524-KU-C104248 similarity", "source_label": "CS-2092524", "target_label": "KU-C104248", "cosine_similarity": 0.3273272514343261 } }, { "source": "CID:2481", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2691", "properties": { "id": "butalbital-CGS-21680 similarity", "source_label": "butalbital", "target_label": "CGS-21680", "cosine_similarity": 0.2653167247772217 } }, { "source": "CID:51147633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46926973", "properties": { "id": "ME-0328-LGK-974 similarity", "source_label": "ME-0328", "target_label": "LGK-974", "cosine_similarity": 0.4842979907989502 } }, { "source": "CID:4615", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11978813", "properties": { "id": "oxatomide-brexpiprazole similarity", "source_label": "oxatomide", "target_label": "brexpiprazole", "cosine_similarity": 0.4457345306873321 } }, { "source": "CID:7172", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10219702", "properties": { "id": "synephrine-DR-2313 similarity", "source_label": "synephrine", "target_label": "DR-2313", "cosine_similarity": 0.2777760028839111 } }, { "source": "CID:3964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "loxapine-hydrocortisone similarity", "source_label": "loxapine", "target_label": "hydrocortisone", "cosine_similarity": 0.4902985692024231 } }, { "source": "CID:3995234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4943", "properties": { "id": "FGIN-1-43-propofol similarity", "source_label": "FGIN-1-43", "target_label": "propofol", "cosine_similarity": 0.2267637252807617 } }, { "source": "CID:46908929", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104758", "properties": { "id": "tofogliflozin-raltitrexed similarity", "source_label": "tofogliflozin", "target_label": "raltitrexed", "cosine_similarity": 0.4001579582691192 } }, { "source": "CID:4565183", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "gangaleoidin-pinacidil similarity", "source_label": "gangaleoidin", "target_label": "pinacidil", "cosine_similarity": 0.3560520708560943 } }, { "source": "CID:1505784", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107967", "properties": { "id": "SJB-AF-2-FK-888 similarity", "source_label": "SJB-AF-2", "target_label": "FK-888", "cosine_similarity": 0.2278303056955337 } }, { "source": "CID:54666571", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16760044", "properties": { "id": "SA-1921867-latrunculin-b similarity", "source_label": "SA-1921867", "target_label": "latrunculin-b", "cosine_similarity": 0.3058920502662658 } }, { "source": "CID:44497649", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3739", "properties": { "id": "SD-6-035-A8-adipiodone similarity", "source_label": "SD-6-035-A8", "target_label": "adipiodone", "cosine_similarity": 0.3070622086524963 } }, { "source": "CID:6436393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610344", "properties": { "id": "carbacyclin-forskolin similarity", "source_label": "carbacyclin", "target_label": "forskolin", "cosine_similarity": 0.3075713515281677 } }, { "source": "CID:300471", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "elesclomol-cerulenin similarity", "source_label": "elesclomol", "target_label": "cerulenin", "cosine_similarity": 0.4726157486438751 } }, { "source": "CID:4725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1329", "properties": { "id": "penciclovir-DPCPX similarity", "source_label": "penciclovir", "target_label": "DPCPX", "cosine_similarity": 0.3086498975753784 } }, { "source": "CID:4298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6710752", "properties": { "id": "W-12-iriflophenone similarity", "source_label": "W-12", "target_label": "iriflophenone", "cosine_similarity": 0.3034204542636871 } }, { "source": "CID:10294813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "genz-644282-camptothecin similarity", "source_label": "genz-644282", "target_label": "camptothecin", "cosine_similarity": 0.8632932901382446 } }, { "source": "CID:9918", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3081361", "properties": { "id": "norcyclobenzaprine-vandetanib similarity", "source_label": "norcyclobenzaprine", "target_label": "vandetanib", "cosine_similarity": 0.3188757300376892 } }, { "source": "CID:54416524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9886086", "properties": { "id": "doxycycline-Ro-28-1675 similarity", "source_label": "doxycycline", "target_label": "Ro-28-1675", "cosine_similarity": 0.3773348331451416 } }, { "source": "CID:7015679", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15330", "properties": { "id": "eseroline-levopropoxyphene similarity", "source_label": "eseroline", "target_label": "levopropoxyphene", "cosine_similarity": 0.2008824050426483 } }, { "source": "CID:1967", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119034", "properties": { "id": "docebenone-asiatic-acid similarity", "source_label": "docebenone", "target_label": "asiatic-acid", "cosine_similarity": 0.198842316865921 } }, { "source": "CID:19385000", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "L-755507-trifluoperazine similarity", "source_label": "L-755507", "target_label": "trifluoperazine", "cosine_similarity": 0.348219633102417 } }, { "source": "CID:7020214", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10251", "properties": { "id": "Val-Val-Val-flavanone similarity", "source_label": "Val-Val-Val", "target_label": "flavanone", "cosine_similarity": 0.2342112958431244 } }, { "source": "CID:5392245", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5268", "properties": { "id": "calycanthine-spiroxatrine similarity", "source_label": "calycanthine", "target_label": "spiroxatrine", "cosine_similarity": 0.2981989979743957 } }, { "source": "CID:4171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:259329", "properties": { "id": "metoprolol-estramustine-phosphate similarity", "source_label": "metoprolol", "target_label": "estramustine-phosphate", "cosine_similarity": 0.4251441955566406 } }, { "source": "CID:57335384", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60164", "properties": { "id": "rociletinib-adapalene similarity", "source_label": "rociletinib", "target_label": "adapalene", "cosine_similarity": 0.3192938268184662 } }, { "source": "CID:219078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "lacosamide-CGS-20625 similarity", "source_label": "lacosamide", "target_label": "CGS-20625", "cosine_similarity": 0.5283271670341492 } }, { "source": "CID:2019", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:457193", "properties": { "id": "actinomycin-d-dactinomycin similarity", "source_label": "actinomycin-d", "target_label": "dactinomycin", "cosine_similarity": 0.837687075138092 } }, { "source": "CID:54660617", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6575", "properties": { "id": "SA-1457458-trichloroethylene similarity", "source_label": "SA-1457458", "target_label": "trichloroethylene", "cosine_similarity": 0.2575669586658478 } }, { "source": "CID:44640181", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "KU-C104495-PIK-75 similarity", "source_label": "KU-C104495", "target_label": "PIK-75", "cosine_similarity": 0.4011962115764618 } }, { "source": "CID:6032", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707358", "properties": { "id": "kanamycin-debrisoquine similarity", "source_label": "kanamycin", "target_label": "debrisoquine", "cosine_similarity": 0.2216542959213256 } }, { "source": "CID:24856237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282054", "properties": { "id": "FU-JMBII105B-cerulenin similarity", "source_label": "FU-JMBII105B", "target_label": "cerulenin", "cosine_similarity": 0.403437077999115 } }, { "source": "CID:22416251", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "KU-C103882-EMF-sumo1-39 similarity", "source_label": "KU-C103882", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.272648811340332 } }, { "source": "CID:11167602", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42611257", "properties": { "id": "regorafenib-vemurafenib similarity", "source_label": "regorafenib", "target_label": "vemurafenib", "cosine_similarity": 0.4496717453002929 } }, { "source": "CID:17756796", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "BIBU-1361-terfenadine similarity", "source_label": "BIBU-1361", "target_label": "terfenadine", "cosine_similarity": 0.6695116758346558 } }, { "source": "CID:9818682", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5482874", "properties": { "id": "UK-383367-rifabutin similarity", "source_label": "UK-383367", "target_label": "rifabutin", "cosine_similarity": 0.4059490263462066 } }, { "source": "CID:46931242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3652", "properties": { "id": "UNC-669-hydroxychloroquine similarity", "source_label": "UNC-669", "target_label": "hydroxychloroquine", "cosine_similarity": 0.3768543601036072 } }, { "source": "CID:4754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "phenacetin-NU-1025 similarity", "source_label": "phenacetin", "target_label": "NU-1025", "cosine_similarity": 0.2694086134433746 } }, { "source": "CID:54658423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658205", "properties": { "id": "SA-1460008-SA-1456102 similarity", "source_label": "SA-1460008", "target_label": "SA-1456102", "cosine_similarity": 0.3503511548042297 } }, { "source": "CID:9795867", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "LFM-A12-KU-C104140 similarity", "source_label": "LFM-A12", "target_label": "KU-C104140", "cosine_similarity": 0.3317834138870239 } }, { "source": "CID:65373", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747179", "properties": { "id": "secoisolariciresinol-PSH-003 similarity", "source_label": "secoisolariciresinol", "target_label": "PSH-003", "cosine_similarity": 0.3588021099567413 } }, { "source": "CID:1979", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68093", "properties": { "id": "aceclidine-dipyrocetyl similarity", "source_label": "aceclidine", "target_label": "dipyrocetyl", "cosine_similarity": 0.2416662722826004 } }, { "source": "CID:54669335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657678", "properties": { "id": "SA-1919551-SA-1456443 similarity", "source_label": "SA-1919551", "target_label": "SA-1456443", "cosine_similarity": 0.2918359935283661 } }, { "source": "CID:44502756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49843099", "properties": { "id": "SA-102695-SA-441350 similarity", "source_label": "SA-102695", "target_label": "SA-441350", "cosine_similarity": 0.3587920665740967 } }, { "source": "CID:135565635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9884685", "properties": { "id": "PP-242-PI-103 similarity", "source_label": "PP-242", "target_label": "PI-103", "cosine_similarity": 0.3888497650623321 } }, { "source": "CID:11213558", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4878", "properties": { "id": "fostamatinib-PP-2 similarity", "source_label": "fostamatinib", "target_label": "PP-2", "cosine_similarity": 0.5656342506408691 } }, { "source": "CID:135419190", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2406", "properties": { "id": "AG-879-bithionol similarity", "source_label": "AG-879", "target_label": "bithionol", "cosine_similarity": 0.6643972992897034 } }, { "source": "CID:5268", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:328236", "properties": { "id": "spiroxatrine-heraclenol similarity", "source_label": "spiroxatrine", "target_label": "heraclenol", "cosine_similarity": 0.2676824331283569 } }, { "source": "CID:129348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107992", "properties": { "id": "PCO-400-MK-212 similarity", "source_label": "PCO-400", "target_label": "MK-212", "cosine_similarity": 0.3182770907878876 } }, { "source": "CID:4850", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4197", "properties": { "id": "piribedil-milrinone similarity", "source_label": "piribedil", "target_label": "milrinone", "cosine_similarity": 0.3182277381420135 } }, { "source": "CID:3532", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "guvacine-iproniazid similarity", "source_label": "guvacine", "target_label": "iproniazid", "cosine_similarity": 0.4463572800159454 } }, { "source": "CID:5270", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8616", "properties": { "id": "SQ-22536-peucedanin similarity", "source_label": "SQ-22536", "target_label": "peucedanin", "cosine_similarity": 0.2845932245254516 } }, { "source": "CID:3906894", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25021165", "properties": { "id": "WAY-161503-JZL-184 similarity", "source_label": "WAY-161503", "target_label": "JZL-184", "cosine_similarity": 0.280104786157608 } }, { "source": "CID:123631", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "gefitinib-ponatinib similarity", "source_label": "gefitinib", "target_label": "ponatinib", "cosine_similarity": 0.6452978849411011 } }, { "source": "CID:328236", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2113511", "properties": { "id": "heraclenol-T-5345967 similarity", "source_label": "heraclenol", "target_label": "T-5345967", "cosine_similarity": 0.3091592192649841 } }, { "source": "CID:125564", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25031915", "properties": { "id": "blonanserin-lucitanib similarity", "source_label": "blonanserin", "target_label": "lucitanib", "cosine_similarity": 0.3408675789833069 } }, { "source": "CID:71158", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688272", "properties": { "id": "acamprosate-levosulpiride similarity", "source_label": "acamprosate", "target_label": "levosulpiride", "cosine_similarity": 0.2829758524894714 } }, { "source": "CID:164723", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57345410", "properties": { "id": "byssochlamic-acid-EPZ-5676 similarity", "source_label": "byssochlamic-acid", "target_label": "EPZ-5676", "cosine_similarity": 0.2656466960906982 } }, { "source": "CID:3230028", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123686", "properties": { "id": "KU-C104139-ICI-89406 similarity", "source_label": "KU-C104139", "target_label": "ICI-89406", "cosine_similarity": 0.2288289964199066 } }, { "source": "CID:23919667", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3169", "properties": { "id": "DY-44-dropropizine similarity", "source_label": "DY-44", "target_label": "dropropizine", "cosine_similarity": 0.308684229850769 } }, { "source": "CID:60184097", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60186973", "properties": { "id": "SA-1938421-SA-1938111 similarity", "source_label": "SA-1938421", "target_label": "SA-1938111", "cosine_similarity": 0.2714636027812958 } }, { "source": "CID:125017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3822", "properties": { "id": "desvenlafaxine-ketanserin similarity", "source_label": "desvenlafaxine", "target_label": "ketanserin", "cosine_similarity": 0.2895087599754333 } }, { "source": "CID:54658744", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44494782", "properties": { "id": "SA-1455938-SA-96816 similarity", "source_label": "SA-1455938", "target_label": "SA-96816", "cosine_similarity": 0.4065378308296203 } }, { "source": "CID:92409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:153941", "properties": { "id": "SKF-89976A-entecavir similarity", "source_label": "SKF-89976A", "target_label": "entecavir", "cosine_similarity": 0.3442534804344177 } }, { "source": "CID:7211972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "VU-0240551-Gly-Gly-PALO similarity", "source_label": "VU-0240551", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2487846761941909 } }, { "source": "CID:49849931", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49835877", "properties": { "id": "CAM-9-026-BJM-AF-64 similarity", "source_label": "CAM-9-026", "target_label": "BJM-AF-64", "cosine_similarity": 0.2188141196966171 } }, { "source": "CID:4636", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20039", "properties": { "id": "oxymetazoline-dideoxyadenosine similarity", "source_label": "oxymetazoline", "target_label": "dideoxyadenosine", "cosine_similarity": 0.3035599291324615 } }, { "source": "CID:3035842", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25067890", "properties": { "id": "immepip-RK-682 similarity", "source_label": "immepip", "target_label": "RK-682", "cosine_similarity": 0.2874242663383484 } }, { "source": "CID:3519541", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312531", "properties": { "id": "CGP-13501-mead-acid similarity", "source_label": "CGP-13501", "target_label": "mead-acid", "cosine_similarity": 0.2701535224914551 } }, { "source": "CID:10152654", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:146570", "properties": { "id": "odanacatib-escitalopram similarity", "source_label": "odanacatib", "target_label": "escitalopram", "cosine_similarity": 0.2787580788135528 } }, { "source": "CID:59588070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3820", "properties": { "id": "JNK-9L-kenpaullone similarity", "source_label": "JNK-9L", "target_label": "kenpaullone", "cosine_similarity": 0.6552408337593079 } }, { "source": "CID:45138674", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9966051", "properties": { "id": "letermovir-vortioxetine similarity", "source_label": "letermovir", "target_label": "vortioxetine", "cosine_similarity": 0.2893569469451904 } }, { "source": "CID:2063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312111", "properties": { "id": "tyrphostin-1-NF-449 similarity", "source_label": "tyrphostin-1", "target_label": "NF-449", "cosine_similarity": 0.3377193510532379 } }, { "source": "CID:5311340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689415", "properties": { "id": "JTC-801-K784-3187 similarity", "source_label": "JTC-801", "target_label": "K784-3187", "cosine_similarity": 0.2988525331020355 } }, { "source": "CID:54682876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442894", "properties": { "id": "tasquinimod-desoxypeganine similarity", "source_label": "tasquinimod", "target_label": "desoxypeganine", "cosine_similarity": 0.4243184924125671 } }, { "source": "CID:46209133", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3472", "properties": { "id": "omarigliptin-gimeracil similarity", "source_label": "omarigliptin", "target_label": "gimeracil", "cosine_similarity": 0.2959103286266327 } }, { "source": "CID:3610881", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:40461270", "properties": { "id": "EMF-sumo1-5-lenalidomide similarity", "source_label": "EMF-sumo1-5", "target_label": "lenalidomide", "cosine_similarity": 0.3351800739765167 } }, { "source": "CID:3002119", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11960529", "properties": { "id": "fursultiamine-veliparib similarity", "source_label": "fursultiamine", "target_label": "veliparib", "cosine_similarity": 0.2588615119457245 } }, { "source": "CID:67946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10687292", "properties": { "id": "fluoropyruvate-cytosporone-b similarity", "source_label": "fluoropyruvate", "target_label": "cytosporone-b", "cosine_similarity": 0.5379839539527893 } }, { "source": "CID:5186", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "scriptaid-NCH-51 similarity", "source_label": "scriptaid", "target_label": "NCH-51", "cosine_similarity": 0.8294287323951721 } }, { "source": "CID:5042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "rebamipide-diazoxide similarity", "source_label": "rebamipide", "target_label": "diazoxide", "cosine_similarity": 0.4970830082893371 } }, { "source": "CID:4990100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:36273", "properties": { "id": "kynuramine-mecillinam similarity", "source_label": "kynuramine", "target_label": "mecillinam", "cosine_similarity": 0.2271605730056762 } }, { "source": "CID:135413511", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11438771", "properties": { "id": "tirapazamine-basimglurant similarity", "source_label": "tirapazamine", "target_label": "basimglurant", "cosine_similarity": 0.2742820084095001 } }, { "source": "CID:5730", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9927531", "properties": { "id": "ZM-336372-BIBR-1532 similarity", "source_label": "ZM-336372", "target_label": "BIBR-1532", "cosine_similarity": 0.4264182448387146 } }, { "source": "CID:73707593", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4780", "properties": { "id": "JMV-431-1-phenylbiguanide similarity", "source_label": "JMV-431", "target_label": "1-phenylbiguanide", "cosine_similarity": 0.1957134008407592 } }, { "source": "CID:54659633", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "SA-1456220-SA-1456734 similarity", "source_label": "SA-1456220", "target_label": "SA-1456734", "cosine_similarity": 0.3778879940509796 } }, { "source": "CID:3702", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3168", "properties": { "id": "indapamide-droperidol similarity", "source_label": "indapamide", "target_label": "droperidol", "cosine_similarity": 0.3454789221286773 } }, { "source": "CID:54687", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46861623", "properties": { "id": "pravastatin-AZD-9668 similarity", "source_label": "pravastatin", "target_label": "AZD-9668", "cosine_similarity": 0.4917232096195221 } }, { "source": "CID:44505479", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:755673", "properties": { "id": "SA-419010-MW-STK33-4C similarity", "source_label": "SA-419010", "target_label": "MW-STK33-4C", "cosine_similarity": 0.3842141032218933 } }, { "source": "CID:3042", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4178", "properties": { "id": "dicycloverine-mexiletine similarity", "source_label": "dicycloverine", "target_label": "mexiletine", "cosine_similarity": 0.2055268436670303 } }, { "source": "CID:54657738", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5278396", "properties": { "id": "SA-1458487-KU-55933 similarity", "source_label": "SA-1458487", "target_label": "KU-55933", "cosine_similarity": 0.2934688031673431 } }, { "source": "CID:43231", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2663", "properties": { "id": "clorsulon-celiprolol similarity", "source_label": "clorsulon", "target_label": "celiprolol", "cosine_similarity": 0.3107728958129883 } }, { "source": "CID:60943", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3748", "properties": { "id": "relcovaptan-iproniazid similarity", "source_label": "relcovaptan", "target_label": "iproniazid", "cosine_similarity": 0.38536137342453 } }, { "source": "CID:73265211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:76525291", "properties": { "id": "XMD-1499-RG7112 similarity", "source_label": "XMD-1499", "target_label": "RG7112", "cosine_similarity": 0.3198848068714142 } }, { "source": "CID:54260", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68634", "properties": { "id": "amorolfine-oxiperomide similarity", "source_label": "amorolfine", "target_label": "oxiperomide", "cosine_similarity": 0.1357763409614563 } }, { "source": "CID:57267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5475158", "properties": { "id": "eticlopride-cinanserin similarity", "source_label": "eticlopride", "target_label": "cinanserin", "cosine_similarity": 0.2230792343616485 } }, { "source": "CID:33630", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68712", "properties": { "id": "penfluridol-rilmenidine similarity", "source_label": "penfluridol", "target_label": "rilmenidine", "cosine_similarity": 0.3851276934146881 } }, { "source": "CID:4539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3677", "properties": { "id": "norfloxacin-mephentermine similarity", "source_label": "norfloxacin", "target_label": "mephentermine", "cosine_similarity": 0.4164204895496368 } }, { "source": "CID:69550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5284627", "properties": { "id": "acefylline-topiramate similarity", "source_label": "acefylline", "target_label": "topiramate", "cosine_similarity": 0.2228573858737945 } }, { "source": "CID:5281691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288209", "properties": { "id": "rhamnetin-fenretinide similarity", "source_label": "rhamnetin", "target_label": "fenretinide", "cosine_similarity": 0.3015137314796448 } }, { "source": "CID:54657689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "SA-1973507-terfenadine similarity", "source_label": "SA-1973507", "target_label": "terfenadine", "cosine_similarity": 0.620427131652832 } }, { "source": "CID:71077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3003141", "properties": { "id": "D-serine-luliconazole similarity", "source_label": "D-serine", "target_label": "luliconazole", "cosine_similarity": 0.4783366024494171 } }, { "source": "CID:6708778", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3926765", "properties": { "id": "teniposide-amsacrine similarity", "source_label": "teniposide", "target_label": "amsacrine", "cosine_similarity": 0.7469437122344971 } }, { "source": "CID:1400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24905203", "properties": { "id": "PP-1-PP-110 similarity", "source_label": "PP-1", "target_label": "PP-110", "cosine_similarity": 0.4843227863311767 } }, { "source": "CID:5362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3830", "properties": { "id": "suxibuzone-kinetin similarity", "source_label": "suxibuzone", "target_label": "kinetin", "cosine_similarity": 0.2599514424800873 } }, { "source": "CID:54666820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614567", "properties": { "id": "SA-1921996-SA-441181 similarity", "source_label": "SA-1921996", "target_label": "SA-441181", "cosine_similarity": 0.3106797039508819 } }, { "source": "CID:81423", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10330240", "properties": { "id": "aminoindazole-VUF-5681 similarity", "source_label": "aminoindazole", "target_label": "VUF-5681", "cosine_similarity": 0.2122202515602111 } }, { "source": "CID:49766530", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3689416", "properties": { "id": "TL-HRAS-61-K784-3188 similarity", "source_label": "TL-HRAS-61", "target_label": "K784-3188", "cosine_similarity": 0.564005970954895 } }, { "source": "CID:56676725", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "BIX-01338-gossypin similarity", "source_label": "BIX-01338", "target_label": "gossypin", "cosine_similarity": 0.2881843745708465 } }, { "source": "CID:3111", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "metamizole-repaglinide similarity", "source_label": "metamizole", "target_label": "repaglinide", "cosine_similarity": 0.4193842113018036 } }, { "source": "CID:73707442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42618298", "properties": { "id": "YL-61-BG-1030 similarity", "source_label": "YL-61", "target_label": "BG-1030", "cosine_similarity": 0.2561524510383606 } }, { "source": "CID:2913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23649154", "properties": { "id": "cyproheptadine-tegobuvir similarity", "source_label": "cyproheptadine", "target_label": "tegobuvir", "cosine_similarity": 0.4317252337932586 } }, { "source": "CID:9458", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952884", "properties": { "id": "triflusal-voreloxin similarity", "source_label": "triflusal", "target_label": "voreloxin", "cosine_similarity": 0.2129515558481216 } }, { "source": "CID:24747194", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747169", "properties": { "id": "PSH-028-PSH-024 similarity", "source_label": "PSH-028", "target_label": "PSH-024", "cosine_similarity": 0.3704834282398224 } }, { "source": "CID:44143700", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747188", "properties": { "id": "KUC103424N-JAS07-002 similarity", "source_label": "KUC103424N", "target_label": "JAS07-002", "cosine_similarity": 0.2442852705717086 } }, { "source": "CID:20345", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5288209", "properties": { "id": "kinetin-riboside-fenretinide similarity", "source_label": "kinetin-riboside", "target_label": "fenretinide", "cosine_similarity": 0.489865243434906 } }, { "source": "CID:15331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "daminozide-resveratrol similarity", "source_label": "daminozide", "target_label": "resveratrol", "cosine_similarity": 0.4061034917831421 } }, { "source": "CID:259329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:151171", "properties": { "id": "estramustine-phosphate-conivaptan similarity", "source_label": "estramustine-phosphate", "target_label": "conivaptan", "cosine_similarity": 0.4929162859916687 } }, { "source": "CID:16725726", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16654980", "properties": { "id": "GSK-690693-buparlisib similarity", "source_label": "GSK-690693", "target_label": "buparlisib", "cosine_similarity": 0.4965896606445312 } }, { "source": "CID:9911830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24826799", "properties": { "id": "tivozanib-ponatinib similarity", "source_label": "tivozanib", "target_label": "ponatinib", "cosine_similarity": 0.4291816651821136 } }, { "source": "CID:45115609", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25429", "properties": { "id": "VU-0414833-2-carbendazim similarity", "source_label": "VU-0414833-2", "target_label": "carbendazim", "cosine_similarity": 0.2104262411594391 } }, { "source": "CID:770820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "O-3M3FBS-bucladesine similarity", "source_label": "O-3M3FBS", "target_label": "bucladesine", "cosine_similarity": 0.2755259275436401 } }, { "source": "CID:6917960", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:41214", "properties": { "id": "KBG-meglitinide similarity", "source_label": "KBG", "target_label": "meglitinide", "cosine_similarity": 0.4035120010375976 } }, { "source": "CID:115193", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6481236", "properties": { "id": "isofloxythepin-PSI-6130 similarity", "source_label": "isofloxythepin", "target_label": "PSI-6130", "cosine_similarity": 0.5958413481712341 } }, { "source": "CID:44489343", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658651", "properties": { "id": "SA-425929-SA-1456170 similarity", "source_label": "SA-425929", "target_label": "SA-1456170", "cosine_similarity": 0.2579195499420166 } }, { "source": "CID:4707", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3795", "properties": { "id": "PD-158780-WHI-P154 similarity", "source_label": "PD-158780", "target_label": "WHI-P154", "cosine_similarity": 0.5008956789970398 } }, { "source": "CID:10521421", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "10-DEBC-trifluoperazine similarity", "source_label": "10-DEBC", "target_label": "trifluoperazine", "cosine_similarity": 0.513385534286499 } }, { "source": "CID:3408722", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "nafadotride-vecuronium similarity", "source_label": "nafadotride", "target_label": "vecuronium", "cosine_similarity": 0.2708782255649566 } }, { "source": "CID:5702107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702106", "properties": { "id": "prednisolone-acetate-prednisolone similarity", "source_label": "prednisolone-acetate", "target_label": "prednisolone", "cosine_similarity": 0.3133185505867004 } }, { "source": "CID:24875320", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73265214", "properties": { "id": "ALW-II-49-7-QL-XI-92 similarity", "source_label": "ALW-II-49-7", "target_label": "QL-XI-92", "cosine_similarity": 0.3899159729480743 } }, { "source": "CID:71721648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25033539", "properties": { "id": "CEP-37440-PF-04691502 similarity", "source_label": "CEP-37440", "target_label": "PF-04691502", "cosine_similarity": 0.599088728427887 } }, { "source": "CID:2088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "alendronic-acid-pepstatin similarity", "source_label": "alendronic-acid", "target_label": "pepstatin", "cosine_similarity": 0.2103102207183838 } }, { "source": "CID:3025", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2442", "properties": { "id": "cinchocaine-bromhexine similarity", "source_label": "cinchocaine", "target_label": "bromhexine", "cosine_similarity": 0.1831303834915161 } }, { "source": "CID:9821459", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4806", "properties": { "id": "J-104129-phthalylsulfathiazole similarity", "source_label": "J-104129", "target_label": "phthalylsulfathiazole", "cosine_similarity": 0.2424339205026626 } }, { "source": "CID:57242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2732", "properties": { "id": "LY-16350-chlortalidone similarity", "source_label": "LY-16350", "target_label": "chlortalidone", "cosine_similarity": 0.2624562382698059 } }, { "source": "CID:5717737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:753704", "properties": { "id": "SAL-003-SKI-II similarity", "source_label": "SAL-003", "target_label": "SKI-II", "cosine_similarity": 0.5039572715759277 } }, { "source": "CID:6711154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11656518", "properties": { "id": "CGP-53353-RAF-265 similarity", "source_label": "CGP-53353", "target_label": "RAF-265", "cosine_similarity": 0.3098134398460388 } }, { "source": "CID:44640175", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "KU-C104487-gliclazide similarity", "source_label": "KU-C104487", "target_label": "gliclazide", "cosine_similarity": 0.3692930042743683 } }, { "source": "CID:5281087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "oxantel-vecuronium similarity", "source_label": "oxantel", "target_label": "vecuronium", "cosine_similarity": 0.253350555896759 } }, { "source": "CID:4423767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281621", "properties": { "id": "STK-674938-gossypin similarity", "source_label": "STK-674938", "target_label": "gossypin", "cosine_similarity": 0.3283038735389709 } }, { "source": "CID:3646", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "hydrocotarnine-myricetin similarity", "source_label": "hydrocotarnine", "target_label": "myricetin", "cosine_similarity": 0.3629212975502014 } }, { "source": "CID:44631078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003694", "properties": { "id": "KU-C104337-EMF-sumo1-39 similarity", "source_label": "KU-C104337", "target_label": "EMF-sumo1-39", "cosine_similarity": 0.7252365946769714 } }, { "source": "CID:183470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:775191", "properties": { "id": "U-54494A-DAC-012 similarity", "source_label": "U-54494A", "target_label": "DAC-012", "cosine_similarity": 0.2529337406158447 } }, { "source": "CID:443389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:7108", "properties": { "id": "SB-221284-phenothiazine similarity", "source_label": "SB-221284", "target_label": "phenothiazine", "cosine_similarity": 0.3138035535812378 } }, { "source": "CID:108001", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "dihydroxyphenylglycine-tetrahydrouridine similarity", "source_label": "dihydroxyphenylglycine", "target_label": "tetrahydrouridine", "cosine_similarity": 0.3141953349113464 } }, { "source": "CID:44623838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "KU-C104224-VU-0405172-2 similarity", "source_label": "KU-C104224", "target_label": "VU-0405172-2", "cosine_similarity": 0.2654458284378052 } }, { "source": "CID:159269", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107641", "properties": { "id": "telbivudine-indobufen similarity", "source_label": "telbivudine", "target_label": "indobufen", "cosine_similarity": 0.3656519651412964 } }, { "source": "CID:213040", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108046", "properties": { "id": "dofequidar-BMY-14802 similarity", "source_label": "dofequidar", "target_label": "BMY-14802", "cosine_similarity": 0.3601609468460083 } }, { "source": "CID:60825", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3033825", "properties": { "id": "lamivudine-levosimendan similarity", "source_label": "lamivudine", "target_label": "levosimendan", "cosine_similarity": 0.5372108221054077 } }, { "source": "CID:6602442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5320346", "properties": { "id": "hydrocortisone-phosphate-hydrocortisone similarity", "source_label": "hydrocortisone-phosphate", "target_label": "hydrocortisone", "cosine_similarity": 0.317861795425415 } }, { "source": "CID:379077", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:481747", "properties": { "id": "NSC-663284-ryuvidine similarity", "source_label": "NSC-663284", "target_label": "ryuvidine", "cosine_similarity": 0.720749020576477 } }, { "source": "CID:73078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17756796", "properties": { "id": "tetrandrine-BIBU-1361 similarity", "source_label": "tetrandrine", "target_label": "BIBU-1361", "cosine_similarity": 0.6606071591377258 } }, { "source": "CID:54657736", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44507332", "properties": { "id": "SA-1460224-SA-247714 similarity", "source_label": "SA-1460224", "target_label": "SA-247714", "cosine_similarity": 0.2758436501026153 } }, { "source": "CID:11455910", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "TW-37-VU-0418947-2 similarity", "source_label": "TW-37", "target_label": "VU-0418947-2", "cosine_similarity": 0.8029048442840576 } }, { "source": "CID:3949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4086", "properties": { "id": "lomerizine-orciprenaline similarity", "source_label": "lomerizine", "target_label": "orciprenaline", "cosine_similarity": 0.4736497700214386 } }, { "source": "CID:5063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5943", "properties": { "id": "RHC-80267-carbon-tetrachloride similarity", "source_label": "RHC-80267", "target_label": "carbon-tetrachloride", "cosine_similarity": 0.2323353737592697 } }, { "source": "CID:6603820", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2630179", "properties": { "id": "dihydrexidine-EMF-sumo1-12 similarity", "source_label": "dihydrexidine", "target_label": "EMF-sumo1-12", "cosine_similarity": 0.2641864120960235 } }, { "source": "CID:4829", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5034", "properties": { "id": "pioglitazone-GW-5074 similarity", "source_label": "pioglitazone", "target_label": "GW-5074", "cosine_similarity": 0.3582074046134949 } }, { "source": "CID:127382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "Ro-19-4605-zebularine similarity", "source_label": "Ro-19-4605", "target_label": "zebularine", "cosine_similarity": 0.2929921746253967 } }, { "source": "CID:5353760", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660070", "properties": { "id": "methoprene-acid-SA-1456734 similarity", "source_label": "methoprene-acid", "target_label": "SA-1456734", "cosine_similarity": 0.2312340587377548 } }, { "source": "CID:23958199", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54658117", "properties": { "id": "apramycin-SA-1457810 similarity", "source_label": "apramycin", "target_label": "SA-1457810", "cosine_similarity": 0.1891155242919922 } }, { "source": "CID:5290", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11683005", "properties": { "id": "L-stepholidine-darinaparsin similarity", "source_label": "L-stepholidine", "target_label": "darinaparsin", "cosine_similarity": 0.2881355881690979 } }, { "source": "CID:9885087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:31404", "properties": { "id": "TAS-301-butylated-hydroxytoluene similarity", "source_label": "TAS-301", "target_label": "butylated-hydroxytoluene", "cosine_similarity": 0.2726238369941711 } }, { "source": "CID:122327", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:644213", "properties": { "id": "CI-976-GW-9662 similarity", "source_label": "CI-976", "target_label": "GW-9662", "cosine_similarity": 0.3705572783946991 } }, { "source": "CID:9592990", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9982218", "properties": { "id": "BAS-00535043-NTNCB similarity", "source_label": "BAS-00535043", "target_label": "NTNCB", "cosine_similarity": 0.5935553908348083 } }, { "source": "CID:2750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5656", "properties": { "id": "ciglitazone-venlafaxine similarity", "source_label": "ciglitazone", "target_label": "venlafaxine", "cosine_similarity": 0.3158564567565918 } }, { "source": "CID:60190539", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669462", "properties": { "id": "SA-1939945-SA-1922796 similarity", "source_label": "SA-1939945", "target_label": "SA-1922796", "cosine_similarity": 0.2718909084796905 } }, { "source": "CID:3078519", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224516", "properties": { "id": "7-hydroxystaurosporine-UNC-0638 similarity", "source_label": "7-hydroxystaurosporine", "target_label": "UNC-0638", "cosine_similarity": 0.3228475451469421 } }, { "source": "CID:5702166", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:441853", "properties": { "id": "peruvoside-cymarin similarity", "source_label": "peruvoside", "target_label": "cymarin", "cosine_similarity": 0.3689552843570709 } }, { "source": "CID:10275789", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:129010078", "properties": { "id": "PIK-75-triptolide similarity", "source_label": "PIK-75", "target_label": "triptolide", "cosine_similarity": 0.8333567380905151 } }, { "source": "CID:9924495", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17753743", "properties": { "id": "perampanel-oprozomib similarity", "source_label": "perampanel", "target_label": "oprozomib", "cosine_similarity": 0.4728562235832214 } }, { "source": "CID:4375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10446295", "properties": { "id": "FG-7142-JNJ-10191584 similarity", "source_label": "FG-7142", "target_label": "JNJ-10191584", "cosine_similarity": 0.3008866012096405 } }, { "source": "CID:123767", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "norketamine-HO-013 similarity", "source_label": "norketamine", "target_label": "HO-013", "cosine_similarity": 0.269462376832962 } }, { "source": "CID:170344", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:831629", "properties": { "id": "etifenin-alda-1 similarity", "source_label": "etifenin", "target_label": "alda-1", "cosine_similarity": 0.2565380036830902 } }, { "source": "CID:23729157", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:108137", "properties": { "id": "tirasemtiv-SCH-28080 similarity", "source_label": "tirasemtiv", "target_label": "SCH-28080", "cosine_similarity": 0.4375690519809723 } }, { "source": "CID:73707409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11351021", "properties": { "id": "vinorelbine-CYT-997 similarity", "source_label": "vinorelbine", "target_label": "CYT-997", "cosine_similarity": 0.6511040329933167 } }, { "source": "CID:442397", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143700", "properties": { "id": "fisetinidol-KUC103424N similarity", "source_label": "fisetinidol", "target_label": "KUC103424N", "cosine_similarity": 0.2226527631282806 } }, { "source": "CID:129228", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3744", "properties": { "id": "rufinamide-VP-20629 similarity", "source_label": "rufinamide", "target_label": "VP-20629", "cosine_similarity": 0.3206242620944977 } }, { "source": "CID:637563", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:243", "properties": { "id": "anethole-benzoic-acid similarity", "source_label": "anethole", "target_label": "benzoic-acid", "cosine_similarity": 0.4605261385440826 } }, { "source": "CID:54613797", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44617231", "properties": { "id": "SA-440968-SA-424371 similarity", "source_label": "SA-440968", "target_label": "SA-424371", "cosine_similarity": 0.3156760632991791 } }, { "source": "CID:27806705", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:659031", "properties": { "id": "oxymetholone-EMF-sumo1-11 similarity", "source_label": "oxymetholone", "target_label": "EMF-sumo1-11", "cosine_similarity": 0.3857387006282806 } }, { "source": "CID:23947034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281670", "properties": { "id": "I-070754-morin similarity", "source_label": "I-070754", "target_label": "morin", "cosine_similarity": 0.2419791668653488 } }, { "source": "CID:3742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "ioxaglic-acid-gliclazide similarity", "source_label": "ioxaglic-acid", "target_label": "gliclazide", "cosine_similarity": 0.3718396723270416 } }, { "source": "CID:11703255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2214", "properties": { "id": "resatorvid-apocynin similarity", "source_label": "resatorvid", "target_label": "apocynin", "cosine_similarity": 0.621636152267456 } }, { "source": "CID:11438771", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9811834", "properties": { "id": "basimglurant-sacubitril similarity", "source_label": "basimglurant", "target_label": "sacubitril", "cosine_similarity": 0.3279553949832916 } }, { "source": "CID:4170", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "metolazone-actarit similarity", "source_label": "metolazone", "target_label": "actarit", "cosine_similarity": 0.4117985069751739 } }, { "source": "CID:446916", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "MDL-29951-mepivacaine similarity", "source_label": "MDL-29951", "target_label": "mepivacaine", "cosine_similarity": 0.3933333456516266 } }, { "source": "CID:54658402", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60193939", "properties": { "id": "SA-1458026-SA-1939915 similarity", "source_label": "SA-1458026", "target_label": "SA-1939915", "cosine_similarity": 0.2902839183807373 } }, { "source": "CID:44492524", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54614219", "properties": { "id": "SA-242939-SA-441092 similarity", "source_label": "SA-242939", "target_label": "SA-441092", "cosine_similarity": 0.5018436908721924 } }, { "source": "CID:44502756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44488751", "properties": { "id": "SA-102695-SA-422830 similarity", "source_label": "SA-102695", "target_label": "SA-422830", "cosine_similarity": 0.3067252337932586 } }, { "source": "CID:2392", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "pibenzimol-GDC-0199 similarity", "source_label": "pibenzimol", "target_label": "GDC-0199", "cosine_similarity": 0.3201224207878113 } }, { "source": "CID:16222096", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10288191", "properties": { "id": "cobimetinib-MEK-162 similarity", "source_label": "cobimetinib", "target_label": "MEK-162", "cosine_similarity": 0.7256660461425781 } }, { "source": "CID:42636350", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5282272", "properties": { "id": "AZD-7687-anandamide similarity", "source_label": "AZD-7687", "target_label": "anandamide", "cosine_similarity": 0.5165819525718689 } }, { "source": "CID:4018928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "sulpiride-diphenylpyraline similarity", "source_label": "sulpiride", "target_label": "diphenylpyraline", "cosine_similarity": 0.4260041117668152 } }, { "source": "CID:24094067", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "I-303059-ST-059620 similarity", "source_label": "I-303059", "target_label": "ST-059620", "cosine_similarity": 0.2531405687332153 } }, { "source": "CID:441401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5734", "properties": { "id": "linezolid-zonisamide similarity", "source_label": "linezolid", "target_label": "zonisamide", "cosine_similarity": 0.3116244971752167 } }, { "source": "CID:77991", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "rivastigmine-sparfloxacin similarity", "source_label": "rivastigmine", "target_label": "sparfloxacin", "cosine_similarity": 0.3905243277549743 } }, { "source": "CID:728578", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688798", "properties": { "id": "ST-022313-ST-059620 similarity", "source_label": "ST-022313", "target_label": "ST-059620", "cosine_similarity": 0.3214663863182068 } }, { "source": "CID:129010090", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281792", "properties": { "id": "ginkgolide-a-rosmarinic-acid similarity", "source_label": "ginkgolide-a", "target_label": "rosmarinic-acid", "cosine_similarity": 0.2602300643920898 } }, { "source": "CID:3001055", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3348", "properties": { "id": "ranitidine-fexofenadine similarity", "source_label": "ranitidine", "target_label": "fexofenadine", "cosine_similarity": 0.392787903547287 } }, { "source": "CID:24856237", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3816756", "properties": { "id": "FU-JMBII105B-AT-SUMO-1 similarity", "source_label": "FU-JMBII105B", "target_label": "AT-SUMO-1", "cosine_similarity": 0.4041191041469574 } }, { "source": "CID:6446335", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056826", "properties": { "id": "BG-FA-0953-F-1566-0341 similarity", "source_label": "BG-FA-0953", "target_label": "F-1566-0341", "cosine_similarity": 0.6816287040710449 } }, { "source": "CID:16129706", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "somatostatin-PT-630 similarity", "source_label": "somatostatin", "target_label": "PT-630", "cosine_similarity": 0.2525579929351806 } }, { "source": "CID:691928", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:200", "properties": { "id": "ST-4029655-AICA-ribonucleotide similarity", "source_label": "ST-4029655", "target_label": "AICA-ribonucleotide", "cosine_similarity": 0.3036348223686218 } }, { "source": "CID:3830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759169", "properties": { "id": "kinetin-ACDPP similarity", "source_label": "kinetin", "target_label": "ACDPP", "cosine_similarity": 0.3179784417152405 } }, { "source": "CID:6634", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2075", "properties": { "id": "sulfachlorpyridazine-aklomide similarity", "source_label": "sulfachlorpyridazine", "target_label": "aklomide", "cosine_similarity": 0.291750818490982 } }, { "source": "CID:3278", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "etacrynic-acid-diphenidol similarity", "source_label": "etacrynic-acid", "target_label": "diphenidol", "cosine_similarity": 0.2693304419517517 } }, { "source": "CID:2814135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4062", "properties": { "id": "CS-2092524-mepivacaine similarity", "source_label": "CS-2092524", "target_label": "mepivacaine", "cosine_similarity": 0.3085367977619171 } }, { "source": "CID:5702051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:667476", "properties": { "id": "estradiol-cypionate-dienestrol similarity", "source_label": "estradiol-cypionate", "target_label": "dienestrol", "cosine_similarity": 0.4675835967063904 } }, { "source": "CID:196841", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:208908", "properties": { "id": "FR-122047-lapatinib similarity", "source_label": "FR-122047", "target_label": "lapatinib", "cosine_similarity": 0.2734259068965912 } }, { "source": "CID:222786", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "cortisone-bucladesine similarity", "source_label": "cortisone", "target_label": "bucladesine", "cosine_similarity": 0.3567772209644317 } }, { "source": "CID:6610273", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "C2-dihydroceramide-pepstatin similarity", "source_label": "C2-dihydroceramide", "target_label": "pepstatin", "cosine_similarity": 0.4169455766677856 } }, { "source": "CID:10429242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119565", "properties": { "id": "CAY-10415-l-bso similarity", "source_label": "CAY-10415", "target_label": "l-bso", "cosine_similarity": 0.2622925937175751 } }, { "source": "CID:124087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666570", "properties": { "id": "desloratadine-SA-1921456 similarity", "source_label": "desloratadine", "target_label": "SA-1921456", "cosine_similarity": 0.3032097816467285 } }, { "source": "CID:54658969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4886", "properties": { "id": "SA-1457797-pramocaine similarity", "source_label": "SA-1457797", "target_label": "pramocaine", "cosine_similarity": 0.3085343539714813 } }, { "source": "CID:2727", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "chlorpropamide-saxagliptin similarity", "source_label": "chlorpropamide", "target_label": "saxagliptin", "cosine_similarity": 0.5080916285514832 } }, { "source": "CID:327653", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707405", "properties": { "id": "pifithrin-mu-CT-200783 similarity", "source_label": "pifithrin-mu", "target_label": "CT-200783", "cosine_similarity": 0.8273664712905884 } }, { "source": "CID:44494782", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44497527", "properties": { "id": "SA-96816-SA-96805 similarity", "source_label": "SA-96816", "target_label": "SA-96805", "cosine_similarity": 0.5968800783157349 } }, { "source": "CID:24747274", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1505783", "properties": { "id": "JAS07-003-STK-661558 similarity", "source_label": "JAS07-003", "target_label": "STK-661558", "cosine_similarity": 0.2612849175930023 } }, { "source": "CID:16760141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "moxidectin-actarit similarity", "source_label": "moxidectin", "target_label": "actarit", "cosine_similarity": 0.4050403237342834 } }, { "source": "CID:2882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46911863", "properties": { "id": "cromoglicic-acid-JNJ-38877605 similarity", "source_label": "cromoglicic-acid", "target_label": "JNJ-38877605", "cosine_similarity": 0.4251380562782287 } }, { "source": "CID:26757", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65937", "properties": { "id": "selegiline-dexloxiglumide similarity", "source_label": "selegiline", "target_label": "dexloxiglumide", "cosine_similarity": 0.4072358608245849 } }, { "source": "CID:4375", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2063", "properties": { "id": "FG-7142-tyrphostin-1 similarity", "source_label": "FG-7142", "target_label": "tyrphostin-1", "cosine_similarity": 0.2911857664585113 } }, { "source": "CID:10405323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6477762", "properties": { "id": "WR-216174-NSC-632839 similarity", "source_label": "WR-216174", "target_label": "NSC-632839", "cosine_similarity": 0.5102390646934509 } }, { "source": "CID:5063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3961", "properties": { "id": "RHC-80267-losartan similarity", "source_label": "RHC-80267", "target_label": "losartan", "cosine_similarity": 0.2348653525114059 } }, { "source": "CID:4614", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "oxaprozin-diazoxide similarity", "source_label": "oxaprozin", "target_label": "diazoxide", "cosine_similarity": 0.4726671576499939 } }, { "source": "CID:3946", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23729157", "properties": { "id": "lobenzarit-tirasemtiv similarity", "source_label": "lobenzarit", "target_label": "tirasemtiv", "cosine_similarity": 0.3567426204681396 } }, { "source": "CID:60192484", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44498994", "properties": { "id": "SA-1925621-SA-96835 similarity", "source_label": "SA-1925621", "target_label": "SA-96835", "cosine_similarity": 0.2822800278663635 } }, { "source": "CID:9891901", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "NGB-2904-molsidomine similarity", "source_label": "NGB-2904", "target_label": "molsidomine", "cosine_similarity": 0.2165889590978622 } }, { "source": "CID:44818131", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:399698", "properties": { "id": "diaminoquinazoline-n-bromoacetyltryptamine similarity", "source_label": "diaminoquinazoline", "target_label": "n-bromoacetyltryptamine", "cosine_similarity": 0.3976600170135498 } }, { "source": "CID:5280863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:445319", "properties": { "id": "kaempferol-S-isopropylisothiourea similarity", "source_label": "kaempferol", "target_label": "S-isopropylisothiourea", "cosine_similarity": 0.2812562584877014 } }, { "source": "CID:2750", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2471", "properties": { "id": "ciglitazone-bumetanide similarity", "source_label": "ciglitazone", "target_label": "bumetanide", "cosine_similarity": 0.3078325092792511 } }, { "source": "CID:691868", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10398360", "properties": { "id": "ST-4029010-3-matida similarity", "source_label": "ST-4029010", "target_label": "3-matida", "cosine_similarity": 0.3097193837165832 } }, { "source": "CID:46926575", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "MW-A1-14-GDC-0199 similarity", "source_label": "MW-A1-14", "target_label": "GDC-0199", "cosine_similarity": 0.2406424432992935 } }, { "source": "CID:5526", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:27873", "properties": { "id": "tranexamic-acid-erythrosine similarity", "source_label": "tranexamic-acid", "target_label": "erythrosine", "cosine_similarity": 0.1971765160560608 } }, { "source": "CID:4289", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "Ro-16-6941-DC-45-A2 similarity", "source_label": "Ro-16-6941", "target_label": "DC-45-A2", "cosine_similarity": 0.2729896306991577 } }, { "source": "CID:42785", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "metenkephalin-bemegride similarity", "source_label": "metenkephalin", "target_label": "bemegride", "cosine_similarity": 0.3999755382537842 } }, { "source": "CID:441140", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2375", "properties": { "id": "griseofulvin-bicalutamide similarity", "source_label": "griseofulvin", "target_label": "bicalutamide", "cosine_similarity": 0.4600145816802978 } }, { "source": "CID:46869952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3503", "properties": { "id": "VU-0404997-2-gossypol similarity", "source_label": "VU-0404997-2", "target_label": "gossypol", "cosine_similarity": 0.3430252373218536 } }, { "source": "CID:6520352", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:130325", "properties": { "id": "K-9944-SA-792709 similarity", "source_label": "K-9944", "target_label": "SA-792709", "cosine_similarity": 0.5366833806037903 } }, { "source": "CID:155806", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:63306", "properties": { "id": "MMPX-NU-1025 similarity", "source_label": "MMPX", "target_label": "NU-1025", "cosine_similarity": 0.3400838077068329 } }, { "source": "CID:44287635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:476", "properties": { "id": "6-nitronorepinephrine-mevalonic-acid similarity", "source_label": "6-nitronorepinephrine", "target_label": "mevalonic-acid", "cosine_similarity": 0.2059535980224609 } }, { "source": "CID:3038525", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9952773", "properties": { "id": "VX-745-TAK-715 similarity", "source_label": "VX-745", "target_label": "TAK-715", "cosine_similarity": 0.54805588722229 } }, { "source": "CID:5011", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "quipazine-dexamethasone similarity", "source_label": "quipazine", "target_label": "dexamethasone", "cosine_similarity": 0.3082417845726013 } }, { "source": "CID:46869952", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44640183", "properties": { "id": "VU-0404997-2-KU-C104486 similarity", "source_label": "VU-0404997-2", "target_label": "KU-C104486", "cosine_similarity": 0.3419889807701111 } }, { "source": "CID:5394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5732", "properties": { "id": "temozolomide-zolpidem similarity", "source_label": "temozolomide", "target_label": "zolpidem", "cosine_similarity": 0.5439832806587219 } }, { "source": "CID:71234", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4452", "properties": { "id": "nicaraven-nemonapride similarity", "source_label": "nicaraven", "target_label": "nemonapride", "cosine_similarity": 0.3822204768657684 } }, { "source": "CID:5577", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3767", "properties": { "id": "trimethobenzamide-isoniazid similarity", "source_label": "trimethobenzamide", "target_label": "isoniazid", "cosine_similarity": 0.2987887859344482 } }, { "source": "CID:470071", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44632017", "properties": { "id": "ethambutol-YK-4279 similarity", "source_label": "ethambutol", "target_label": "YK-4279", "cosine_similarity": 0.2538576126098633 } }, { "source": "CID:2882", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2754", "properties": { "id": "cromoglicic-acid-cilostazol similarity", "source_label": "cromoglicic-acid", "target_label": "cilostazol", "cosine_similarity": 0.3893758952617645 } }, { "source": "CID:6610313", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "ryanodine-myricetin similarity", "source_label": "ryanodine", "target_label": "myricetin", "cosine_similarity": 0.3471354246139526 } }, { "source": "CID:2691", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:688561", "properties": { "id": "CGS-21680-procaterol similarity", "source_label": "CGS-21680", "target_label": "procaterol", "cosine_similarity": 0.5400494337081909 } }, { "source": "CID:51755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:35370", "properties": { "id": "fenticonazole-zidovudine similarity", "source_label": "fenticonazole", "target_label": "zidovudine", "cosine_similarity": 0.5143972039222717 } }, { "source": "CID:122070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4449", "properties": { "id": "L-655240-nefazodone similarity", "source_label": "L-655240", "target_label": "nefazodone", "cosine_similarity": 0.4853830933570862 } }, { "source": "CID:4497", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2554", "properties": { "id": "nimodipine-carbamazepine similarity", "source_label": "nimodipine", "target_label": "carbamazepine", "cosine_similarity": 0.4584872126579284 } }, { "source": "CID:9926999", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280953", "properties": { "id": "LY-456236-harmine similarity", "source_label": "LY-456236", "target_label": "harmine", "cosine_similarity": 0.2282059341669082 } }, { "source": "CID:54657607", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702164", "properties": { "id": "SA-1459234-puromycin similarity", "source_label": "SA-1459234", "target_label": "puromycin", "cosine_similarity": 0.1841906309127807 } }, { "source": "CID:3568", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3475", "properties": { "id": "EI-273-gliclazide similarity", "source_label": "EI-273", "target_label": "gliclazide", "cosine_similarity": 0.4406032562255859 } }, { "source": "CID:11631681", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10184653", "properties": { "id": "Ro-3306-afatinib similarity", "source_label": "Ro-3306", "target_label": "afatinib", "cosine_similarity": 0.3774738609790802 } }, { "source": "CID:16220051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9855081", "properties": { "id": "tunicamycin-cyclosporin-a similarity", "source_label": "tunicamycin", "target_label": "cyclosporin-a", "cosine_similarity": 0.5569143295288086 } }, { "source": "CID:5385074", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115193", "properties": { "id": "kakonein-isofloxythepin similarity", "source_label": "kakonein", "target_label": "isofloxythepin", "cosine_similarity": 0.4171324670314789 } }, { "source": "CID:11222830", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11234052", "properties": { "id": "WP-1130-brivanib similarity", "source_label": "WP-1130", "target_label": "brivanib", "cosine_similarity": 0.1978206187486648 } }, { "source": "CID:44497655", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54669111", "properties": { "id": "SA-102676-SA-1921614 similarity", "source_label": "SA-102676", "target_label": "SA-1921614", "cosine_similarity": 0.3552400469779968 } }, { "source": "CID:65937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "dexloxiglumide-tetrahydrouridine similarity", "source_label": "dexloxiglumide", "target_label": "tetrahydrouridine", "cosine_similarity": 0.7969673871994019 } }, { "source": "CID:5400", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:327653", "properties": { "id": "TER-14687-pifithrin-mu similarity", "source_label": "TER-14687", "target_label": "pifithrin-mu", "cosine_similarity": 0.4131341576576233 } }, { "source": "CID:53472153", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2435", "properties": { "id": "PF-4800567-brimonidine similarity", "source_label": "PF-4800567", "target_label": "brimonidine", "cosine_similarity": 0.2091957777738571 } }, { "source": "CID:44601470", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2092", "properties": { "id": "KUC103893N-alfuzosin similarity", "source_label": "KUC103893N", "target_label": "alfuzosin", "cosine_similarity": 0.2354959845542907 } }, { "source": "CID:25025505", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "MBX-2982-AZD-7687 similarity", "source_label": "MBX-2982", "target_label": "AZD-7687", "cosine_similarity": 0.4991827011108398 } }, { "source": "CID:24069689", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10223146", "properties": { "id": "mocimycin-JTE-013 similarity", "source_label": "mocimycin", "target_label": "JTE-013", "cosine_similarity": 0.2384586334228515 } }, { "source": "CID:4737", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:462382", "properties": { "id": "pentobarbital-MG-132 similarity", "source_label": "pentobarbital", "target_label": "MG-132", "cosine_similarity": 0.2594844102859497 } }, { "source": "CID:446916", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:892", "properties": { "id": "MDL-29951-inositol similarity", "source_label": "MDL-29951", "target_label": "inositol", "cosine_similarity": 0.3909115791320801 } }, { "source": "CID:441749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:68508601", "properties": { "id": "napelline-PT-630 similarity", "source_label": "napelline", "target_label": "PT-630", "cosine_similarity": 0.2597886323928833 } }, { "source": "CID:6918314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3055", "properties": { "id": "vilazodone-diphenidol similarity", "source_label": "vilazodone", "target_label": "diphenidol", "cosine_similarity": 0.3941403329372406 } }, { "source": "CID:25227436", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "AZD-5363-taselisib similarity", "source_label": "AZD-5363", "target_label": "taselisib", "cosine_similarity": 0.7599506378173828 } }, { "source": "CID:5083", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10275789", "properties": { "id": "bisindolylmaleimide-ix-PIK-75 similarity", "source_label": "bisindolylmaleimide-ix", "target_label": "PIK-75", "cosine_similarity": 0.7080364227294922 } }, { "source": "CID:34521", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11304743", "properties": { "id": "toloxatone-riociguat similarity", "source_label": "toloxatone", "target_label": "riociguat", "cosine_similarity": 0.1824956089258194 } }, { "source": "CID:9853053", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71317558", "properties": { "id": "lomitapide-niguldipine similarity", "source_label": "lomitapide", "target_label": "niguldipine", "cosine_similarity": 0.2882710695266723 } }, { "source": "CID:44505124", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281672", "properties": { "id": "SA-417716-myricetin similarity", "source_label": "SA-417716", "target_label": "myricetin", "cosine_similarity": 0.3457754254341125 } }, { "source": "CID:1088", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5280363", "properties": { "id": "sarcosine-dinoprost similarity", "source_label": "sarcosine", "target_label": "dinoprost", "cosine_similarity": 0.4087760746479034 } }, { "source": "CID:135976680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:216239", "properties": { "id": "BIX-02188-sorafenib similarity", "source_label": "BIX-02188", "target_label": "sorafenib", "cosine_similarity": 0.3790625333786011 } }, { "source": "CID:4837", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9651", "properties": { "id": "piperazine-galantamine similarity", "source_label": "piperazine", "target_label": "galantamine", "cosine_similarity": 0.213040143251419 } }, { "source": "CID:2732", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60464", "properties": { "id": "chlortalidone-sparfloxacin similarity", "source_label": "chlortalidone", "target_label": "sparfloxacin", "cosine_similarity": 0.4320513606071472 } }, { "source": "CID:3949", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24946690", "properties": { "id": "lomerizine-bitopertin similarity", "source_label": "lomerizine", "target_label": "bitopertin", "cosine_similarity": 0.4061519801616668 } }, { "source": "CID:5702068", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44251485", "properties": { "id": "hydrocortisone-acetate-VU-0405172-2 similarity", "source_label": "hydrocortisone-acetate", "target_label": "VU-0405172-2", "cosine_similarity": 0.3825520873069763 } }, { "source": "CID:2820381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2728620", "properties": { "id": "KM-03949SC-RJC-00245SC similarity", "source_label": "KM-03949SC", "target_label": "RJC-00245SC", "cosine_similarity": 0.69281005859375 } }, { "source": "CID:5328940", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9915743", "properties": { "id": "bosutinib-neratinib similarity", "source_label": "bosutinib", "target_label": "neratinib", "cosine_similarity": 0.6058850884437561 } }, { "source": "CID:6697", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4712", "properties": { "id": "benzanthrone-PD-169316 similarity", "source_label": "benzanthrone", "target_label": "PD-169316", "cosine_similarity": 0.2989325821399688 } }, { "source": "CID:9874838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3894573", "properties": { "id": "T-98475-RS-17053 similarity", "source_label": "T-98475", "target_label": "RS-17053", "cosine_similarity": 0.6795674562454224 } }, { "source": "CID:3331", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:163844", "properties": { "id": "felbamate-CGS-20625 similarity", "source_label": "felbamate", "target_label": "CGS-20625", "cosine_similarity": 0.3329972624778747 } }, { "source": "CID:11773081", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5145950", "properties": { "id": "norgestimate-RS-39604 similarity", "source_label": "norgestimate", "target_label": "RS-39604", "cosine_similarity": 0.3074474930763244 } }, { "source": "CID:2122", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "altizide-flutamide similarity", "source_label": "altizide", "target_label": "flutamide", "cosine_similarity": 0.2321804910898208 } }, { "source": "CID:49843144", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4078", "properties": { "id": "SD-6-035-B2-mesoridazine similarity", "source_label": "SD-6-035-B2", "target_label": "mesoridazine", "cosine_similarity": 0.2489151060581207 } }, { "source": "CID:25025298", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:443955", "properties": { "id": "telotristat-vinpocetine similarity", "source_label": "telotristat", "target_label": "vinpocetine", "cosine_similarity": 0.320273756980896 } }, { "source": "CID:3374", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10253795", "properties": { "id": "flumequine-cefprozil similarity", "source_label": "flumequine", "target_label": "cefprozil", "cosine_similarity": 0.3115386068820953 } }, { "source": "CID:4114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:833", "properties": { "id": "methoxsalen-L-citrulline similarity", "source_label": "methoxsalen", "target_label": "L-citrulline", "cosine_similarity": 0.3489359617233276 } }, { "source": "CID:446596", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4713", "properties": { "id": "mupirocin-PD-98059 similarity", "source_label": "mupirocin", "target_label": "PD-98059", "cosine_similarity": 0.275845319032669 } }, { "source": "CID:1775", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11703255", "properties": { "id": "phenytoin-resatorvid similarity", "source_label": "phenytoin", "target_label": "resatorvid", "cosine_similarity": 0.4095461368560791 } }, { "source": "CID:25195294", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707595", "properties": { "id": "LDN-193189-avicin-d similarity", "source_label": "LDN-193189", "target_label": "avicin-d", "cosine_similarity": 0.4470560550689697 } }, { "source": "CID:235382", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24360", "properties": { "id": "SIB-1893-camptothecin similarity", "source_label": "SIB-1893", "target_label": "camptothecin", "cosine_similarity": 0.5431680679321289 } }, { "source": "CID:45358132", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "icariin-mestranol similarity", "source_label": "icariin", "target_label": "mestranol", "cosine_similarity": 0.2918606698513031 } }, { "source": "CID:57495783", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51001932", "properties": { "id": "deforolimus-taselisib similarity", "source_label": "deforolimus", "target_label": "taselisib", "cosine_similarity": 0.7520629167556763 } }, { "source": "CID:45115620", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44593870", "properties": { "id": "VU-0413807-2-KU-C103885 similarity", "source_label": "VU-0413807-2", "target_label": "KU-C103885", "cosine_similarity": 0.2471859902143478 } }, { "source": "CID:47318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:25051", "properties": { "id": "oltipraz-cyclocytidine similarity", "source_label": "oltipraz", "target_label": "cyclocytidine", "cosine_similarity": 0.1996489465236663 } }, { "source": "CID:3038522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5035", "properties": { "id": "tandutinib-raloxifene similarity", "source_label": "tandutinib", "target_label": "raloxifene", "cosine_similarity": 0.6251376271247864 } }, { "source": "CID:60189878", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60184895", "properties": { "id": "SA-1939936-SA-1939938 similarity", "source_label": "SA-1939936", "target_label": "SA-1939938", "cosine_similarity": 0.1993425339460373 } }, { "source": "CID:5337997", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3561", "properties": { "id": "nifuroxazide-haloprogin similarity", "source_label": "nifuroxazide", "target_label": "haloprogin", "cosine_similarity": 0.3651653528213501 } }, { "source": "CID:44623838", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44607592", "properties": { "id": "KU-C104224-KU-C104140 similarity", "source_label": "KU-C104224", "target_label": "KU-C104140", "cosine_similarity": 0.2882040739059448 } }, { "source": "CID:5287969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3025986", "properties": { "id": "alvocidib-BMS-387032 similarity", "source_label": "alvocidib", "target_label": "BMS-387032", "cosine_similarity": 0.8625999689102173 } }, { "source": "CID:44502756", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44485243", "properties": { "id": "SA-102695-SA-85290 similarity", "source_label": "SA-102695", "target_label": "SA-85290", "cosine_similarity": 0.2778360247611999 } }, { "source": "CID:5853", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "metrifonate-bemegride similarity", "source_label": "metrifonate", "target_label": "bemegride", "cosine_similarity": 0.243461862206459 } }, { "source": "CID:10377751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24821094", "properties": { "id": "AS-605240-ibrutinib similarity", "source_label": "AS-605240", "target_label": "ibrutinib", "cosine_similarity": 0.4792401194572449 } }, { "source": "CID:2907", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9687", "properties": { "id": "cyclophosphamide-bucladesine similarity", "source_label": "cyclophosphamide", "target_label": "bucladesine", "cosine_similarity": 0.3158406913280487 } }, { "source": "CID:44483271", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135999136", "properties": { "id": "meclocycline-AT-CSC-18 similarity", "source_label": "meclocycline", "target_label": "AT-CSC-18", "cosine_similarity": 0.2514584958553314 } }, { "source": "CID:25262792", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:45375953", "properties": { "id": "AZD-2014-MLN-0128 similarity", "source_label": "AZD-2014", "target_label": "MLN-0128", "cosine_similarity": 0.8217089176177979 } }, { "source": "CID:3854666", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3035714", "properties": { "id": "SB-225002-ABT-751 similarity", "source_label": "SB-225002", "target_label": "ABT-751", "cosine_similarity": 0.7655302286148071 } }, { "source": "CID:5284585", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1776583", "properties": { "id": "loracarbef-JAS07-006 similarity", "source_label": "loracarbef", "target_label": "JAS07-006", "cosine_similarity": 0.2759963572025299 } }, { "source": "CID:44620013", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54660081", "properties": { "id": "SA-424294-SA-1456859 similarity", "source_label": "SA-424294", "target_label": "SA-1456859", "cosine_similarity": 0.2818517088890075 } }, { "source": "CID:3012", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5360807", "properties": { "id": "R-59022-lasalocid similarity", "source_label": "R-59022", "target_label": "lasalocid", "cosine_similarity": 0.3650522828102112 } }, { "source": "CID:6708584", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:637213", "properties": { "id": "isogedunin-rhapontin similarity", "source_label": "isogedunin", "target_label": "rhapontin", "cosine_similarity": 0.2862448394298553 } }, { "source": "CID:657255", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5405", "properties": { "id": "suloctidil-terfenadine similarity", "source_label": "suloctidil", "target_label": "terfenadine", "cosine_similarity": 0.6669325232505798 } }, { "source": "CID:10341154", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505892", "properties": { "id": "VX-702-SA-419090 similarity", "source_label": "VX-702", "target_label": "SA-419090", "cosine_similarity": 0.2652926743030548 } }, { "source": "CID:134141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4748", "properties": { "id": "fluphenazine-perphenazine similarity", "source_label": "fluphenazine", "target_label": "perphenazine", "cosine_similarity": 0.6470860838890076 } }, { "source": "CID:4828", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11243969", "properties": { "id": "pindolol-saxagliptin similarity", "source_label": "pindolol", "target_label": "saxagliptin", "cosine_similarity": 0.4651548862457275 } }, { "source": "CID:73707549", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9543540", "properties": { "id": "BG-1010-BML-210 similarity", "source_label": "BG-1010", "target_label": "BML-210", "cosine_similarity": 0.6323643922805786 } }, { "source": "CID:638024", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148184", "properties": { "id": "piperine-ampalex similarity", "source_label": "piperine", "target_label": "ampalex", "cosine_similarity": 0.2025397568941116 } }, { "source": "CID:10090485", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4826", "properties": { "id": "LY-2157299-pinacidil similarity", "source_label": "LY-2157299", "target_label": "pinacidil", "cosine_similarity": 0.3785094618797302 } }, { "source": "CID:13186954", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444795", "properties": { "id": "KU-C103656-tretinoin similarity", "source_label": "KU-C103656", "target_label": "tretinoin", "cosine_similarity": 0.2635690569877624 } }, { "source": "CID:842059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44618378", "properties": { "id": "BG-1023-SA-424170 similarity", "source_label": "BG-1023", "target_label": "SA-424170", "cosine_similarity": 0.310759574174881 } }, { "source": "CID:6442177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57495783", "properties": { "id": "everolimus-deforolimus similarity", "source_label": "everolimus", "target_label": "deforolimus", "cosine_similarity": 0.8194855451583862 } }, { "source": "CID:46740", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5702055", "properties": { "id": "Ro-04-5595-flumethasone-pivalate similarity", "source_label": "Ro-04-5595", "target_label": "flumethasone-pivalate", "cosine_similarity": 0.2292638421058654 } }, { "source": "CID:10668061", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:20507134", "properties": { "id": "SCH-442416-isoxicam similarity", "source_label": "SCH-442416", "target_label": "isoxicam", "cosine_similarity": 0.1997803300619125 } }, { "source": "CID:53387035", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51634", "properties": { "id": "LCQ-908-miglustat similarity", "source_label": "LCQ-908", "target_label": "miglustat", "cosine_similarity": 0.2388372123241424 } }, { "source": "CID:22228376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:176870", "properties": { "id": "GW-441756-erlotinib similarity", "source_label": "GW-441756", "target_label": "erlotinib", "cosine_similarity": 0.3183406293392181 } }, { "source": "CID:214348", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9675990", "properties": { "id": "deferasirox-PAC-1 similarity", "source_label": "deferasirox", "target_label": "PAC-1", "cosine_similarity": 0.3798121213912964 } }, { "source": "CID:31635", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8215", "properties": { "id": "tromaril-AGP-103 similarity", "source_label": "tromaril", "target_label": "AGP-103", "cosine_similarity": 0.1873745173215866 } }, { "source": "CID:2879", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:10127622", "properties": { "id": "cresol-selumetinib similarity", "source_label": "cresol", "target_label": "selumetinib", "cosine_similarity": 0.3025473952293396 } }, { "source": "CID:5702076", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:172813", "properties": { "id": "isoxsuprine-Gly-Gly-PALO similarity", "source_label": "isoxsuprine", "target_label": "Gly-Gly-PALO", "cosine_similarity": 0.2803630530834198 } }, { "source": "CID:180559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:8593", "properties": { "id": "esatenolol-cinchophen similarity", "source_label": "esatenolol", "target_label": "cinchophen", "cosine_similarity": 0.2613092362880707 } }, { "source": "CID:10071196", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3019", "properties": { "id": "pimavanserin-diazoxide similarity", "source_label": "pimavanserin", "target_label": "diazoxide", "cosine_similarity": 0.4996388852596283 } }, { "source": "CID:5702135", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4098", "properties": { "id": "strychnine-methapyrilene similarity", "source_label": "strychnine", "target_label": "methapyrilene", "cosine_similarity": 0.3080529272556305 } }, { "source": "CID:6321411", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57369718", "properties": { "id": "cefixime-vecuronium similarity", "source_label": "cefixime", "target_label": "vecuronium", "cosine_similarity": 0.4032730162143707 } }, { "source": "CID:6918554", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24770514", "properties": { "id": "indacaterol-CPI-613 similarity", "source_label": "indacaterol", "target_label": "CPI-613", "cosine_similarity": 0.3197603821754455 } }, { "source": "CID:108094", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4694339", "properties": { "id": "RX-821002-UB-165 similarity", "source_label": "RX-821002", "target_label": "UB-165", "cosine_similarity": 0.2847309112548828 } }, { "source": "CID:4211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24978538", "properties": { "id": "mitotane-navitoclax similarity", "source_label": "mitotane", "target_label": "navitoclax", "cosine_similarity": 0.2654590308666229 } }, { "source": "CID:5353", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3103", "properties": { "id": "sulmazole-diphenylpyraline similarity", "source_label": "sulmazole", "target_label": "diphenylpyraline", "cosine_similarity": 0.4193646907806396 } }, { "source": "CID:44485323", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666592", "properties": { "id": "SA-86418-SA-1920683 similarity", "source_label": "SA-86418", "target_label": "SA-1920683", "cosine_similarity": 0.2679808735847473 } }, { "source": "CID:5702266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:444036", "properties": { "id": "amcinonide-fluticasone-propionate similarity", "source_label": "amcinonide", "target_label": "fluticasone-propionate", "cosine_similarity": 0.5634809136390686 } }, { "source": "CID:35026803", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5312114", "properties": { "id": "CAY-10470-CGP-71683 similarity", "source_label": "CAY-10470", "target_label": "CGP-71683", "cosine_similarity": 0.4742678105831146 } }, { "source": "CID:5702265", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6610344", "properties": { "id": "colforsin-forskolin similarity", "source_label": "colforsin", "target_label": "forskolin", "cosine_similarity": 0.2821611166000366 } }, { "source": "CID:69550", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3182", "properties": { "id": "acefylline-dyphylline similarity", "source_label": "acefylline", "target_label": "dyphylline", "cosine_similarity": 0.2131012231111526 } }, { "source": "CID:5281087", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4364841", "properties": { "id": "oxantel-L-165041 similarity", "source_label": "oxantel", "target_label": "L-165041", "cosine_similarity": 0.2487779408693313 } }, { "source": "CID:46901937", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "UNC-0321-rolipram similarity", "source_label": "UNC-0321", "target_label": "rolipram", "cosine_similarity": 0.4237799346446991 } }, { "source": "CID:4906", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1379247", "properties": { "id": "prilocaine-DAC-004 similarity", "source_label": "prilocaine", "target_label": "DAC-004", "cosine_similarity": 0.2786568105220794 } }, { "source": "CID:53232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:446155", "properties": { "id": "lovastatin-fluvastatin similarity", "source_label": "lovastatin", "target_label": "fluvastatin", "cosine_similarity": 0.4734897315502167 } }, { "source": "CID:5315", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2453", "properties": { "id": "succinylsulfathiazole-broxyquinoline similarity", "source_label": "succinylsulfathiazole", "target_label": "broxyquinoline", "cosine_similarity": 0.3197765052318573 } }, { "source": "CID:10370504", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707372", "properties": { "id": "UK-356618-PP-30 similarity", "source_label": "UK-356618", "target_label": "PP-30", "cosine_similarity": 0.3831482827663421 } }, { "source": "CID:5749", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747273", "properties": { "id": "oxyphenonium-PSH-010 similarity", "source_label": "oxyphenonium", "target_label": "PSH-010", "cosine_similarity": 0.2614138722419739 } }, { "source": "CID:3034034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4238", "properties": { "id": "quinine-molsidomine similarity", "source_label": "quinine", "target_label": "molsidomine", "cosine_similarity": 0.6178730726242065 } }, { "source": "CID:5702107", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9782", "properties": { "id": "prednisolone-acetate-betamethasone similarity", "source_label": "prednisolone-acetate", "target_label": "betamethasone", "cosine_similarity": 0.2926323115825653 } }, { "source": "CID:449381", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:49846579", "properties": { "id": "oseltamivir-carboxylate-GDC-0199 similarity", "source_label": "oseltamivir-carboxylate", "target_label": "GDC-0199", "cosine_similarity": 0.4176904559135437 } }, { "source": "CID:49843318", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6442177", "properties": { "id": "SD-6-035-A11-everolimus similarity", "source_label": "SD-6-035-A11", "target_label": "everolimus", "cosine_similarity": 0.3213496804237366 } }, { "source": "CID:2972", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5059", "properties": { "id": "deferiprone-REV-5901 similarity", "source_label": "deferiprone", "target_label": "REV-5901", "cosine_similarity": 0.3105488717556 } }, { "source": "CID:123964", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "ASA-404-imiquimod similarity", "source_label": "ASA-404", "target_label": "imiquimod", "cosine_similarity": 0.3300971090793609 } }, { "source": "CID:49792852", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9888590", "properties": { "id": "NMS-1286937-HMN-214 similarity", "source_label": "NMS-1286937", "target_label": "HMN-214", "cosine_similarity": 0.8091161847114563 } }, { "source": "CID:133002", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1103147", "properties": { "id": "PG-9-YM-90709 similarity", "source_label": "PG-9", "target_label": "YM-90709", "cosine_similarity": 0.2350687533617019 } }, { "source": "CID:9913", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:100016", "properties": { "id": "xanthinol-zebularine similarity", "source_label": "xanthinol", "target_label": "zebularine", "cosine_similarity": 0.2158688306808471 } }, { "source": "CID:90241673", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:123683", "properties": { "id": "EPZ-015666-IB-MECA similarity", "source_label": "EPZ-015666", "target_label": "IB-MECA", "cosine_similarity": 0.3700554668903351 } }, { "source": "CID:54657742", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54657740", "properties": { "id": "SA-1455791-SA-1456570 similarity", "source_label": "SA-1455791", "target_label": "SA-1456570", "cosine_similarity": 0.2423933893442154 } }, { "source": "CID:11497983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "barasertib-actarit similarity", "source_label": "barasertib", "target_label": "actarit", "cosine_similarity": 0.2624655663967132 } }, { "source": "CID:4309557", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4858", "properties": { "id": "tetramethyl-haematoxylone-PJ-34 similarity", "source_label": "tetramethyl-haematoxylone", "target_label": "PJ-34", "cosine_similarity": 0.2752613127231598 } }, { "source": "CID:1379247", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135886612", "properties": { "id": "DAC-004-DAC-003 similarity", "source_label": "DAC-004", "target_label": "DAC-003", "cosine_similarity": 0.7083097696304321 } }, { "source": "CID:9906875", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:1893", "properties": { "id": "LFM-A13-7-nitroindazole similarity", "source_label": "LFM-A13", "target_label": "7-nitroindazole", "cosine_similarity": 0.4845353066921234 } }, { "source": "CID:1013376", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:53358942", "properties": { "id": "tenovins-RG-7388 similarity", "source_label": "tenovins", "target_label": "RG-7388", "cosine_similarity": 0.2895157635211944 } }, { "source": "CID:53377408", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9951687", "properties": { "id": "MW-STK33-97-methyl-fasudil similarity", "source_label": "MW-STK33-97", "target_label": "methyl-fasudil", "cosine_similarity": 0.8352547287940979 } }, { "source": "CID:10182969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46224413", "properties": { "id": "apixaban-PF-03084014 similarity", "source_label": "apixaban", "target_label": "PF-03084014", "cosine_similarity": 0.3929176032543182 } }, { "source": "CID:11771279", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9941444", "properties": { "id": "MRS-3777-pasireotide similarity", "source_label": "MRS-3777", "target_label": "pasireotide", "cosine_similarity": 0.2024888694286346 } }, { "source": "CID:5522", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4659569", "properties": { "id": "tracazolate-tolcapone similarity", "source_label": "tracazolate", "target_label": "tolcapone", "cosine_similarity": 0.3019950091838836 } }, { "source": "CID:4160", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54667998", "properties": { "id": "methyl-testosterone-SA-1920080 similarity", "source_label": "methyl-testosterone", "target_label": "SA-1920080", "cosine_similarity": 0.298902302980423 } }, { "source": "CID:11626560", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5566", "properties": { "id": "crizotinib-trifluoperazine similarity", "source_label": "crizotinib", "target_label": "trifluoperazine", "cosine_similarity": 0.6103591918945312 } }, { "source": "CID:54667389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44617231", "properties": { "id": "SA-1919345-SA-424371 similarity", "source_label": "SA-1919345", "target_label": "SA-424371", "cosine_similarity": 0.2781583070755005 } }, { "source": "CID:73707606", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:71748056", "properties": { "id": "oxetane-QL-XII-47 similarity", "source_label": "oxetane", "target_label": "QL-XII-47", "cosine_similarity": 0.3760977685451507 } }, { "source": "CID:6710754", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:50910523", "properties": { "id": "irilin-a-ARG-CSC-91 similarity", "source_label": "irilin-a", "target_label": "ARG-CSC-91", "cosine_similarity": 0.2526998519897461 } }, { "source": "CID:2809486", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:16759155", "properties": { "id": "S-206352-DAU-5884 similarity", "source_label": "S-206352", "target_label": "DAU-5884", "cosine_similarity": 0.2965149581432342 } }, { "source": "CID:11617559", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "GW-2580-ICI-162846 similarity", "source_label": "GW-2580", "target_label": "ICI-162846", "cosine_similarity": 0.4150904417037964 } }, { "source": "CID:5056", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:15331", "properties": { "id": "resveratrol-daminozide similarity", "source_label": "resveratrol", "target_label": "daminozide", "cosine_similarity": 0.4061034917831421 } }, { "source": "CID:65863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5497", "properties": { "id": "sertaconazole-nikethamide similarity", "source_label": "sertaconazole", "target_label": "nikethamide", "cosine_similarity": 0.3971758782863617 } }, { "source": "CID:2118", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "alprazolam-NCH-51 similarity", "source_label": "alprazolam", "target_label": "NCH-51", "cosine_similarity": 0.3733550608158111 } }, { "source": "CID:36689751", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6419931", "properties": { "id": "tetroquinone-methyl-hydantoin similarity", "source_label": "tetroquinone", "target_label": "methyl-hydantoin", "cosine_similarity": 0.2743988037109375 } }, { "source": "CID:3152", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65981", "properties": { "id": "donepezil-repaglinide similarity", "source_label": "donepezil", "target_label": "repaglinide", "cosine_similarity": 0.2506004869937897 } }, { "source": "CID:2162", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60823", "properties": { "id": "amlodipine-atorvastatin similarity", "source_label": "amlodipine", "target_label": "atorvastatin", "cosine_similarity": 0.5519625544548035 } }, { "source": "CID:5281051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:134778", "properties": { "id": "hypericin-ICI-162846 similarity", "source_label": "hypericin", "target_label": "ICI-162846", "cosine_similarity": 0.5318401455879211 } }, { "source": "CID:11313361", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60490", "properties": { "id": "JNJ-16259685-zileuton similarity", "source_label": "JNJ-16259685", "target_label": "zileuton", "cosine_similarity": 0.23381307721138 } }, { "source": "CID:2480", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54685921", "properties": { "id": "butacaine-hispidin similarity", "source_label": "butacaine", "target_label": "hispidin", "cosine_similarity": 0.1932953298091888 } }, { "source": "CID:2755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:165404", "properties": { "id": "cimaterol-L-ergothioneine similarity", "source_label": "cimaterol", "target_label": "L-ergothioneine", "cosine_similarity": 0.3318618834018707 } }, { "source": "CID:3698", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:42636350", "properties": { "id": "amrinone-AZD-7687 similarity", "source_label": "amrinone", "target_label": "AZD-7687", "cosine_similarity": 0.3006598055362701 } }, { "source": "CID:71329", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:148201", "properties": { "id": "dofetilide-tariquidar similarity", "source_label": "dofetilide", "target_label": "tariquidar", "cosine_similarity": 0.1998748183250427 } }, { "source": "CID:44632017", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:197810", "properties": { "id": "YK-4279-chelidonine similarity", "source_label": "YK-4279", "target_label": "chelidonine", "cosine_similarity": 0.5367333889007568 } }, { "source": "CID:5702266", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:236702", "properties": { "id": "amcinonide-dexamethasone similarity", "source_label": "amcinonide", "target_label": "dexamethasone", "cosine_similarity": 0.6364657878875732 } }, { "source": "CID:6477762", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "NSC-632839-SA-1447005 similarity", "source_label": "NSC-632839", "target_label": "SA-1447005", "cosine_similarity": 0.803807258605957 } }, { "source": "CID:60184895", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:12799467", "properties": { "id": "SA-1939938-piperacillin similarity", "source_label": "SA-1939938", "target_label": "piperacillin", "cosine_similarity": 0.3122143745422363 } }, { "source": "CID:44601473", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44247542", "properties": { "id": "KU-C103898N-VU-0402604 similarity", "source_label": "KU-C103898N", "target_label": "VU-0402604", "cosine_similarity": 0.2255149036645889 } }, { "source": "CID:667477", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5287953", "properties": { "id": "doxepin-tipiracil similarity", "source_label": "doxepin", "target_label": "tipiracil", "cosine_similarity": 0.2620739042758941 } }, { "source": "CID:65781", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54445", "properties": { "id": "ecabet-castanospermine similarity", "source_label": "ecabet", "target_label": "castanospermine", "cosine_similarity": 0.4869947135448456 } }, { "source": "CID:45489449", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44601455", "properties": { "id": "VU-0415556-1-WT-171 similarity", "source_label": "VU-0415556-1", "target_label": "WT-171", "cosine_similarity": 0.4921434223651886 } }, { "source": "CID:68770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "talinolol-aliskiren similarity", "source_label": "talinolol", "target_label": "aliskiren", "cosine_similarity": 0.355047196149826 } }, { "source": "CID:9875401", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5219", "properties": { "id": "rivaroxaban-linsidomine similarity", "source_label": "rivaroxaban", "target_label": "linsidomine", "cosine_similarity": 0.4704349339008331 } }, { "source": "CID:53232", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54454", "properties": { "id": "lovastatin-simvastatin similarity", "source_label": "lovastatin", "target_label": "simvastatin", "cosine_similarity": 0.4586617946624756 } }, { "source": "CID:119570", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5493444", "properties": { "id": "pramipexole-aliskiren similarity", "source_label": "pramipexole", "target_label": "aliskiren", "cosine_similarity": 0.3674867153167724 } }, { "source": "CID:94701", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2446", "properties": { "id": "diprotin-a-bromopride similarity", "source_label": "diprotin-a", "target_label": "bromopride", "cosine_similarity": 0.2974511682987213 } }, { "source": "CID:54682876", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2310", "properties": { "id": "tasquinimod-bemegride similarity", "source_label": "tasquinimod", "target_label": "bemegride", "cosine_similarity": 0.4883736073970794 } }, { "source": "CID:4988454", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107641", "properties": { "id": "Z160-indobufen similarity", "source_label": "Z160", "target_label": "indobufen", "cosine_similarity": 0.2855461239814758 } }, { "source": "CID:4813", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44589607", "properties": { "id": "piceatannol-7b-cis similarity", "source_label": "piceatannol", "target_label": "7b-cis", "cosine_similarity": 0.4971064925193786 } }, { "source": "CID:2267", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4020", "properties": { "id": "azelastine-mazindol similarity", "source_label": "azelastine", "target_label": "mazindol", "cosine_similarity": 0.2882764041423797 } }, { "source": "CID:124334", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5281792", "properties": { "id": "PIT-rosmarinic-acid similarity", "source_label": "PIT", "target_label": "rosmarinic-acid", "cosine_similarity": 0.2897199988365173 } }, { "source": "CID:60063", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:471161", "properties": { "id": "clinafloxacin-maribavir similarity", "source_label": "clinafloxacin", "target_label": "maribavir", "cosine_similarity": 0.352863073348999 } }, { "source": "CID:54654441", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44486995", "properties": { "id": "SA-1480001-SA-424764 similarity", "source_label": "SA-1480001", "target_label": "SA-424764", "cosine_similarity": 0.221291035413742 } }, { "source": "CID:44665680", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:9906875", "properties": { "id": "KU-C104502N-LFM-A13 similarity", "source_label": "KU-C104502N", "target_label": "LFM-A13", "cosine_similarity": 0.2628646194934845 } }, { "source": "CID:72193870", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:400169", "properties": { "id": "QW-BI-011-SC-144 similarity", "source_label": "QW-BI-011", "target_label": "SC-144", "cosine_similarity": 0.3081709444522857 } }, { "source": "CID:3114", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3463", "properties": { "id": "disopyramide-gemfibrozil similarity", "source_label": "disopyramide", "target_label": "gemfibrozil", "cosine_similarity": 0.5642885565757751 } }, { "source": "CID:10436840", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24748573", "properties": { "id": "NH-125-CX-4945 similarity", "source_label": "NH-125", "target_label": "CX-4945", "cosine_similarity": 0.2631858289241791 } }, { "source": "CID:650919", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5478883", "properties": { "id": "ST-4049616-pepstatin similarity", "source_label": "ST-4049616", "target_label": "pepstatin", "cosine_similarity": 0.3196824193000793 } }, { "source": "CID:83969", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44257", "properties": { "id": "albendazole-oxide-sapropterin similarity", "source_label": "albendazole-oxide", "target_label": "sapropterin", "cosine_similarity": 0.1550897657871246 } }, { "source": "CID:44507307", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44616738", "properties": { "id": "SA-247654-SA-427228 similarity", "source_label": "SA-247654", "target_label": "SA-427228", "cosine_similarity": 0.3746645748615265 } }, { "source": "CID:3003141", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2018", "properties": { "id": "luliconazole-actarit similarity", "source_label": "luliconazole", "target_label": "actarit", "cosine_similarity": 0.4294182956218719 } }, { "source": "CID:5280863", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:2973", "properties": { "id": "kaempferol-deferoxamine-mesylate similarity", "source_label": "kaempferol", "target_label": "deferoxamine-mesylate", "cosine_similarity": 0.3002132773399353 } }, { "source": "CID:62389", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5056", "properties": { "id": "6-benzylaminopurine-resveratrol similarity", "source_label": "6-benzylaminopurine", "target_label": "resveratrol", "cosine_similarity": 0.2374280989170074 } }, { "source": "CID:71490", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5745", "properties": { "id": "fenpiverinium-cortisone-acetate similarity", "source_label": "fenpiverinium", "target_label": "cortisone-acetate", "cosine_similarity": 0.2468841969966888 } }, { "source": "CID:24747179", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44143703", "properties": { "id": "PSH-003-KU-C103428N similarity", "source_label": "PSH-003", "target_label": "KU-C103428N", "cosine_similarity": 0.4372895956039428 } }, { "source": "CID:4184", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57339144", "properties": { "id": "mianserin-UNC-1215 similarity", "source_label": "mianserin", "target_label": "UNC-1215", "cosine_similarity": 0.2816284000873565 } }, { "source": "CID:3111211", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:115210", "properties": { "id": "ML-213-ZK-93426 similarity", "source_label": "ML-213", "target_label": "ZK-93426", "cosine_similarity": 0.2425522804260254 } }, { "source": "CID:4369359", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:34633", "properties": { "id": "sitagliptin-moracizine similarity", "source_label": "sitagliptin", "target_label": "moracizine", "cosine_similarity": 0.3172354102134704 } }, { "source": "CID:21100", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6697", "properties": { "id": "metanephrine-benzanthrone similarity", "source_label": "metanephrine", "target_label": "benzanthrone", "cosine_similarity": 0.2531381547451019 } }, { "source": "CID:5280567", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11658860", "properties": { "id": "hymecromone-lorcaserin similarity", "source_label": "hymecromone", "target_label": "lorcaserin", "cosine_similarity": 0.3205334842205047 } }, { "source": "CID:16007391", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:23725625", "properties": { "id": "barasertib-HQPA-olaparib similarity", "source_label": "barasertib-HQPA", "target_label": "olaparib", "cosine_similarity": 0.3792263567447662 } }, { "source": "CID:70680399", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57469", "properties": { "id": "MW-SHH-54-imiquimod similarity", "source_label": "MW-SHH-54", "target_label": "imiquimod", "cosine_similarity": 0.287361592054367 } }, { "source": "CID:57242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5092", "properties": { "id": "LY-16350-rolipram similarity", "source_label": "LY-16350", "target_label": "rolipram", "cosine_similarity": 0.2659232318401336 } }, { "source": "CID:11615393", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:65856", "properties": { "id": "telmesteine-reboxetine similarity", "source_label": "telmesteine", "target_label": "reboxetine", "cosine_similarity": 0.3776199519634247 } }, { "source": "CID:969516", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:161591", "properties": { "id": "curcumin-chaetocin similarity", "source_label": "curcumin", "target_label": "chaetocin", "cosine_similarity": 0.5525984168052673 } }, { "source": "CID:5281078", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57030", "properties": { "id": "mycophenolate-mofetil-brequinar similarity", "source_label": "mycophenolate-mofetil", "target_label": "brequinar", "cosine_similarity": 0.5838600993156433 } }, { "source": "CID:3394", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4133412", "properties": { "id": "flurbiprofen-DL-TBOA similarity", "source_label": "flurbiprofen", "target_label": "DL-TBOA", "cosine_similarity": 0.2931263744831085 } }, { "source": "CID:51537051", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:159594", "properties": { "id": "LDN-57444-atrasentan similarity", "source_label": "LDN-57444", "target_label": "atrasentan", "cosine_similarity": 0.1987662315368652 } }, { "source": "CID:2803059", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5593", "properties": { "id": "CD-00491SC-tropicamide similarity", "source_label": "CD-00491SC", "target_label": "tropicamide", "cosine_similarity": 0.1864615231752395 } }, { "source": "CID:73707442", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73313", "properties": { "id": "YL-61-trimidox similarity", "source_label": "YL-61", "target_label": "trimidox", "cosine_similarity": 0.2667117416858673 } }, { "source": "CID:133538", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707534", "properties": { "id": "SKF-83959-KDM-103 similarity", "source_label": "SKF-83959", "target_label": "KDM-103", "cosine_similarity": 0.2851237058639526 } }, { "source": "CID:24868317", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "UCL-2077-flutamide similarity", "source_label": "UCL-2077", "target_label": "flutamide", "cosine_similarity": 0.2363484054803848 } }, { "source": "CID:51003685", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:51003716", "properties": { "id": "CVF-SUMO-14-CVF-SUMO-11 similarity", "source_label": "CVF-SUMO-14", "target_label": "CVF-SUMO-11", "cosine_similarity": 0.7795203924179077 } }, { "source": "CID:374536", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:104842", "properties": { "id": "RITA-SN-38 similarity", "source_label": "RITA", "target_label": "SN-38", "cosine_similarity": 0.3995952606201172 } }, { "source": "CID:16734800", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:17928441", "properties": { "id": "LXR-623-ABT-202 similarity", "source_label": "LXR-623", "target_label": "ABT-202", "cosine_similarity": 0.3607733845710754 } }, { "source": "CID:24951314", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11395181", "properties": { "id": "ISOX-NCH-51 similarity", "source_label": "ISOX", "target_label": "NCH-51", "cosine_similarity": 0.8208694458007812 } }, { "source": "CID:6560164", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3166", "properties": { "id": "azlocillin-drofenine similarity", "source_label": "azlocillin", "target_label": "drofenine", "cosine_similarity": 0.3134042024612427 } }, { "source": "CID:54677407", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:24747196", "properties": { "id": "robustic-acid-PSH-025 similarity", "source_label": "robustic-acid", "target_label": "PSH-025", "cosine_similarity": 0.2812452614307403 } }, { "source": "CID:8362", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6443013", "properties": { "id": "homosalate-HO-013 similarity", "source_label": "homosalate", "target_label": "HO-013", "cosine_similarity": 0.2645387947559356 } }, { "source": "CID:27648", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:107905", "properties": { "id": "iocetamic-acid-epicatechin similarity", "source_label": "iocetamic-acid", "target_label": "epicatechin", "cosine_similarity": 0.2780564129352569 } }, { "source": "CID:264", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:564", "properties": { "id": "sodium-butyrate-aminocaproic-acid similarity", "source_label": "sodium-butyrate", "target_label": "aminocaproic-acid", "cosine_similarity": 0.2174268215894699 } }, { "source": "CID:11210478", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:57662985", "properties": { "id": "WP-1066-BMS-833923 similarity", "source_label": "WP-1066", "target_label": "BMS-833923", "cosine_similarity": 0.2836782932281494 } }, { "source": "CID:11519070", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6291", "properties": { "id": "umeclidinium-mestranol similarity", "source_label": "umeclidinium", "target_label": "mestranol", "cosine_similarity": 0.3099310398101806 } }, { "source": "CID:9957280", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3270699", "properties": { "id": "NNC-55-0396-rhodomyrtoxin-b similarity", "source_label": "NNC-55-0396", "target_label": "rhodomyrtoxin-b", "cosine_similarity": 0.7489491701126099 } }, { "source": "CID:122023", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3442", "properties": { "id": "LY-255283-fusaric-acid similarity", "source_label": "LY-255283", "target_label": "fusaric-acid", "cosine_similarity": 0.352580726146698 } }, { "source": "CID:19103", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707394", "properties": { "id": "NSC-3852-SA-1447005 similarity", "source_label": "NSC-3852", "target_label": "SA-1447005", "cosine_similarity": 0.7599425911903381 } }, { "source": "CID:10770", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44629410", "properties": { "id": "hexylcaine-ARG-TC-41 similarity", "source_label": "hexylcaine", "target_label": "ARG-TC-41", "cosine_similarity": 0.2644727826118469 } }, { "source": "CID:11345983", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:3397", "properties": { "id": "cardiogenol-c-flutamide similarity", "source_label": "cardiogenol-c", "target_label": "flutamide", "cosine_similarity": 0.2990309298038482 } }, { "source": "CID:2817242", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:122718", "properties": { "id": "BML-266-usnic-acid similarity", "source_label": "BML-266", "target_label": "usnic-acid", "cosine_similarity": 0.279646635055542 } }, { "source": "CID:9600409", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:54666869", "properties": { "id": "CITCO-SA-1920942 similarity", "source_label": "CITCO", "target_label": "SA-1920942", "cosine_similarity": 0.2438553571701049 } }, { "source": "CID:11581936", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:119570", "properties": { "id": "PF-02545920-pramipexole similarity", "source_label": "PF-02545920", "target_label": "pramipexole", "cosine_similarity": 0.3265556395053863 } }, { "source": "CID:46238422", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:5458428", "properties": { "id": "RAN-27-cytochalasin-d similarity", "source_label": "RAN-27", "target_label": "cytochalasin-d", "cosine_similarity": 0.2147808372974395 } }, { "source": "CID:65747", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:442128", "properties": { "id": "reserpic-acid-dihydrosamidin similarity", "source_label": "reserpic-acid", "target_label": "dihydrosamidin", "cosine_similarity": 0.2530393302440643 } }, { "source": "CID:73438900", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:6918453", "properties": { "id": "JS-K-auranofin similarity", "source_label": "JS-K", "target_label": "auranofin", "cosine_similarity": 0.2836577594280243 } }, { "source": "CID:60185177", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:60185339", "properties": { "id": "SA-1925246-SA-1925610 similarity", "source_label": "SA-1925246", "target_label": "SA-1925610", "cosine_similarity": 0.3045614957809448 } }, { "source": "CID:5244802", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73707376", "properties": { "id": "BRL-52537-DC-45-A2 similarity", "source_label": "BRL-52537", "target_label": "DC-45-A2", "cosine_similarity": 0.2722702920436859 } }, { "source": "CID:17534", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4684627", "properties": { "id": "6-aminochrysene-RWJ-21757 similarity", "source_label": "6-aminochrysene", "target_label": "RWJ-21757", "cosine_similarity": 0.2452147156000137 } }, { "source": "CID:44483340", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4995951", "properties": { "id": "GW-6471-PD-102807 similarity", "source_label": "GW-6471", "target_label": "PD-102807", "cosine_similarity": 0.2927185297012329 } }, { "source": "CID:4174", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44500663", "properties": { "id": "metyrapone-SA-89763 similarity", "source_label": "metyrapone", "target_label": "SA-89763", "cosine_similarity": 0.2680672109127044 } }, { "source": "CID:73707546", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:73010922", "properties": { "id": "garcinol-ischemin similarity", "source_label": "garcinol", "target_label": "ischemin", "cosine_similarity": 0.3987928032875061 } }, { "source": "CID:2562", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:395754", "properties": { "id": "pentoxyverine-FTI-276 similarity", "source_label": "pentoxyverine", "target_label": "FTI-276", "cosine_similarity": 0.3010396957397461 } }, { "source": "CID:2755", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:11625818", "properties": { "id": "cimaterol-idelalisib similarity", "source_label": "cimaterol", "target_label": "idelalisib", "cosine_similarity": 0.3368244767189026 } }, { "source": "CID:16760034", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:29243", "properties": { "id": "bongkrek-acid-tetrahydrouridine similarity", "source_label": "bongkrek-acid", "target_label": "tetrahydrouridine", "cosine_similarity": 0.4026767015457153 } }, { "source": "CID:151171", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:135398737", "properties": { "id": "conivaptan-clozapine similarity", "source_label": "conivaptan", "target_label": "clozapine", "cosine_similarity": 0.4890905022621155 } }, { "source": "CID:5280450", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:4788", "properties": { "id": "linoleic-acid-phloretin similarity", "source_label": "linoleic-acid", "target_label": "phloretin", "cosine_similarity": 0.478024274110794 } }, { "source": "CID:44505047", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:44505124", "properties": { "id": "SA-419083-SA-417716 similarity", "source_label": "SA-419083", "target_label": "SA-417716", "cosine_similarity": 0.3052469193935394 } }, { "source": "CID:3611", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:46742354", "properties": { "id": "hinokitiol-VU-0418947-2 similarity", "source_label": "hinokitiol", "target_label": "VU-0418947-2", "cosine_similarity": 0.6307806372642517 } }, { "source": "CID:45281801", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:13342", "properties": { "id": "VU-0365121-1-vinblastine similarity", "source_label": "VU-0365121-1", "target_label": "vinblastine", "cosine_similarity": 0.4378976225852966 } }, { "source": "CID:51576", "relation": "LINCS Drugs Cosine Similarity", "target": "CID:214347", "properties": { "id": "acifran-dapivirine similarity", "source_label": "acifran", "target_label": "dapivirine", "cosine_similarity": 0.4589345753192901 } } ] }